Ramachandran Plot. 4ysz Phi (degrees) Plot statistics

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B Ramachandran Plot ~b b 135 b ~b ~l l Psi (degrees) 5-5 a A ~a L - -135 SER HIS (F) 59 (G) SER (B) ~b b LYS ASP ASP 315 13 13 (A) (F) (B) LYS ALA ALA 315 173 (E) 173 (E)(A) ~p p ~b - -135 - -5 5 135 (degrees) Plot statistics Residues in most favoured regions [A,B,L] 1735.1% Residues in additional allowed regions [a,b,l,p] 11.5% Residues in generously allowed regions [~a,~b,~l,~p].3% Residues in disallowed regions 3.% ---- ------ Number of non-glycine and non-proline residues 197.% Number of end-residues (excl. Gly and Pro) 1 Number of glycine residues (shown as triangles) 19 Number of proline residues 11 ---- Total number of residues 9 Based on an analysis of 11 structures of resolution of at least. Angstroms and R-factor no greater than %, a good quality model would be expected to have over % in the most favoured regions. _1.ps

Ramachandran plots for all residue types Page 1 Ala () Arg (1) Asn (7) Psi A 311 A E E 3 E 35 C B G 1 1 1 - E A 173 173 - - - - - - - - Asp (11) F 97 Cys (5) F 9 D F 391 Gln () B 1 Psi A - B 13 F 13 - - - - - - - - Glu (1) Gly (19) His (7) D 53 Psi - A 55 E 7 - C 11 9 D 99 - E 37 C G 59 59 A 5 - - - - - - Numbers of residues are shown in brackets. Those in unfavourable conformations (score < -3.) are labelled. Shading shows favourable conformations as obtained from an analysis of 13 structures at resolution.a or better. _.ps

Ramachandran plots for all residue types Page Ile (15) Leu () Lys (1) A A Psi B F 1E B 1 3 B 93 F 179 - - - A 315 A 1 - - - - - - Met () Phe (9) Pro (11) F 79 E A 57 57 Psi F 3 D 7 B 55 - - - - - A 153 - - G 113 - - Ser () Thr (1) Trp (3) G 13 H 9 B F 1 1 Psi E - F B G 9 - - - - F - - - - Numbers of residues are shown in brackets. Those in unfavourable conformations (score < -3.) are labelled. Shading shows favourable conformations as obtained from an analysis of 13 structures at resolution.a or better. _.ps

Ramachandran plots for all residue types Page 3 Tyr () Val (1) A 3 A 1 E 17 A 17 Psi B 79 - - - - - - Numbers of residues are shown in brackets. Those in unfavourable conformations (score < -3.) are labelled. Shading shows favourable conformations as obtained from an analysis of 13 structures at resolution.a or better. _.ps

Chi1-Chi plots Page 1 3 Arg (1) 3 Asn (7) 3 Asp (11) D 115 Chi- 7 7 B 11 A 159 E 5 E 3 7 E A F 1 7 3 Chi-1 7 3 Chi-1 7 3 Chi-1 3 Cys () 3 Gln () 3 Glu (1) 7 7 7 Chi- 7 3 Chi-1 7 3 Chi-1 7 3 Chi-1 3 His (7) 3 Ile (15) 3 C 1 Leu () Chi- 7 D 53 E 39 G 179 C 179 H 53 7 F 1 B 1 A 3 E 3 D 79 H 79 A 1 E 1 A 3 E 33 C G 7 E 3 C 13 G 13 A 591 7 G 1 C G G 15 H D 113 E 1 7 3 Chi-1 7 3 Chi-1 7 3 Chi-1 Numbers of residues are shown in brackets. Those in unfavourable conformations (score < -3.) are labelled. Shading shows favourable conformations as obtained from an analysis of 13 structures at resolution.a or better. _3.ps

Chi1-Chi plots Page 3 Lys (1) 3 Met () 3 Phe (9) 7 7 7 D 9 Chi- E 153 A 153 F 3 7 3 Chi-1 7 3 Chi-1 7 3 Chi-1 3 Trp (3) 3 Tyr () 7 H D 15 7 H 13 G 3 D Chi- A E 539 539 7 3 Chi-1 7 3 Chi-1 Numbers of residues are shown in brackets. Those in unfavourable conformations (score < -3.) are labelled. Shading shows favourable conformations as obtained from an analysis of 13 structures at resolution.a or better. _3.ps

%-tage of residues in most favoured regions Bad contacts per residues Main-chain parameters a. Ramachandran plot quality assessment 1. 1.5..5 3. 3.5. Resolution (Angstroms) c. Measure of bad non-bonded interactions 7 Standard deviation (degrees) Zeta angle standard dev. (degrees) b. Peptide bond planarity - omega angle sd 5 15 5. 17.5 15. 1.5. 7.5 5..5 1. 1.5..5 3. 3.5. Resolution (Angstroms) d. Alpha carbon tetrahedral distortion Standard deviation (kcal/mol) 1. 1.5..5 3. 3.5. Resolution (Angstroms) e. Hydrogen bond energies. 1.5 1..5 G-factor 1. 1.5..5 3. 3.5. Resolution (Angstroms) f. G-factor 1..5. -.5-1. -1.5 -. 1. 1.5..5 3. 3.5. 1. 1.5..5 3. 3.5. Resolution (Angstroms) Resolution (Angstroms) Plot statistics Comparison values No. of No. of Parameter Typical Band band widths Stereochemical parameter data pts value value width from mean a. %-tage residues in A, B, L 197.1 59.1..9 BETTER b. angle st dev.7. 3.. Inside c. Bad contacts / residues 9 1.3 7.. -. BETTER d. Zeta angle st dev 1.7 3.1 1. -.9 Inside e. H-bond energy st dev 157. 1.1. -1.7 BETTER f. G-factor 9 -. -.9.3 3. BETTER _.ps

Side-chain parameters a. Chi-1 gauche minus b. Chi-1 trans Standard deviation (degrees) Standard deviation (degrees) 1. 1.5..5 3. 3.5. Resolution (Angstroms) 1. 1.5..5 3. 3.5. Resolution (Angstroms) c. Chi-1 gauche plus d. Chi-1 pooled standard deviation Standard deviation (degrees) Standard deviation (degrees) 1. 1.5..5 3. 3.5. Resolution (Angstroms) e. Standard deviation of Chi- trans angle 1. 1.5..5 3. 3.5. Resolution (Angstroms) Standard deviation (degrees) 1. 1.5..5 3. 3.5 Resolution (Angstroms). Plot statistics Comparison values No. of No. of Parameter Typical Band band widths Stereochemical parameter data pts value value width from mean a. Chi-1 gauche minus st dev 9 17...5-1.9 BETTER b. Chi-1 trans st dev 59 17.7. 5.3 -.1 BETTER c. Chi-1 gauche plus st dev 15.7 7.3.9 -. BETTER d. Chi-1 pooled st dev 177 1..1. -.3 BETTER e. Chi- trans st dev 57 19. 7. 5. -1. BETTER _5.ps

abs. mean dev. A 35 5 55 5 7 75 5 95 5 1 115 1 15 35 5 55 5 7 75 5 95 5 1 115 1 15 35 5 55 5 7 75 5 95 5 1 115 1 15 Page 1 SN I AQYKV I DHAYDVV I I GAGGAGLRAAMGLGEAGFKTAVVTKMFPTRSHTTAAQGG I NAALGSMNPDDWKWHFYDTVKGSDWLGDQNAMHYLTRNAVEA Chi3 & chi +. + +.. +. +. + +.... + +.. + + +. + +.. + +....... + + + +.. + +. + +.. 35 5 55 5 7 75 5 95 5 1 115 1 15 _.ps

abs. mean dev. 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 5 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 5 Page 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 5 VTELENFGMPFSRTPEGK I YQRSFGGQSNNYGKGGVAKRTCCVADRTGHSMLHTLYGNSLRCHCTFF I EYFALDLLMDKGRCVGV I ALCLEDGT I HRFRS Chi3 & chi.. +. + + +...... + +.. +... + + + + 5.5 + 5.5 + + +.... + + + +.. + +..... + + +. 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 5 _.ps

abs. mean dev. 35 5 55 5 7 75 5 95 5 3 315 3 35 35 5 55 5 7 75 5 95 5 3 315 3 35 Page 3 35 5 55 5 7 75 5 95 5 3 315 3 35 KRT I VATGGYGRAYFSCTTAHMNTGDGTALATRAG I ALEDLEF I QFHPTG I YGVGCL I TEGSRGEGGFLVNSEGERFMERYAPKAKDLASRDVVSRAET I Chi3 & chi + + + + +..................... +.. + + + + + + + +.. +. + + + + +. +... + + + 35 5 55 5 7 75 5 95 5 3 315 3 35 _.ps

abs. mean dev. 3 335 3 35 3 355 3 35 37 375 3 35 3 395 5 15 5 3 335 3 35 3 355 3 35 37 375 3 35 3 395 5 15 5 Page 3 335 3 35 3 355 3 35 37 375 3 35 3 395 5 15 5 E IMEGRGVGPEKDH I YLQLHHLPAEQLHQRLPG I SETAK I FAGVDVTKEP I PV I PTVHYNMGG I PTNYKAQV I KYTKEGGDK I VPGLYACGECACHSVHG Chi3 & chi _.ps + +. + + + +. + + + + + + +. + + + + + + +. +. +. +... +... + + +.... + + +.... 3 335 3 35 3 355 3 35 37 375 3 35 3 395 5 15 5 c = cis-peptide c c

abs. mean dev. 35 5 55 5 7 75 5 95 5 5 515 5 55 35 5 55 5 7 75 5 95 5 5 515 5 55 Page 5 35 5 55 5 7 75 5 95 5 5 515 5 55 ANRLGANSLLDAVVFGRACS I N I KEELKPDEK I PELPEGAGEES I ANLDAVRYANGDVPTAELRLTMQKTMQKHAGVFRRGD I LAEGVKKMMDLFKELKR Chi3 & chi + +. + + + +. + + +. + + +.. + +....... +.. +. + + + +. + +. + + + +... + + +.. +. + +. +. + + + 35 5 55 5 7 75 5 95 5 5 515 5 55 _.ps

abs. mean dev. 5 535 5 55 5 555 5 55 57 575 5 55 5 595 5 15 5 5 535 5 55 5 555 5 55 57 575 5 55 5 595 5 15 5 Page 5 535 5 55 5 555 5 55 57 575 5 55 5 595 5 15 5 LKTTDRSL IWNSDLTESLELQNLMLNATQT I VAAENRKESRGAHARDDFPKREDEYDYSKP I EGQTKRPFEKHWRKHTLTKQDPRTGH I TLDYRPV I DKT Chi3 & chi.. + + + +... +...... +.. +. +... + + + +. + +. + +.. +. + +. + +.. + +.. + + + +. 5 535 5 55 5 555 5 55 57 575 5 55 5 595 5 15 5 _.ps

abs. mean dev. 35 5 5 55 5 7 75 5 95 5 35 5 5 55 5 7 75 5 95 5 35 5 5 55 5 7 75 5 95 5 B Page 7 LDPAEVDWI PP I I RSY KR I KTFE I YRFNPEEPGAKPKLQKFDVDLDKCGTMVLDAL I K I KNEVDPTLTFRRSCREG I CGSCAMN I AGENT Chi3 & chi. +...... + + +.. +.. + + +.... +. +. + +. +. +. + + +. + +... +.... 35 5 5 55 5 7 75 5 95 5 _.ps

abs. mean dev. 7 115 1 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 7 115 1 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 Page 7 115 1 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 LAC I CN I DQNTSKTTK I YPLPHMFV I KDLVPDMNLFYAQYAS I QPWLQKKTK I NLGEKQQYQS I KEQEKLDGLYEC I LCACCSASCPSYWWNADKYLGPA Chi3 & chi. + + + + + +. + +. + +... + +... +. +. +.. + + + 7. + + + + + + + + +.. + +. + +.. +... + + + 1.7 + +... 7 115 1 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 _.ps

abs. mean dev. 7 15 5 35 5 55 5 7 75 5 7 15 5 35 5 55 5 7 75 5 7 15 5 35 5 55 5 7 75 5 C Page 9 VLMQAYRWI I DSRDDSAAERLARMQDGFSAFKCHT IMNCTKTCPKHLNPARA I GE I KMLLTKMKTKPAPLPTPANF EKTP I QVWGWDYLM Chi3 & chi..... + + +.. +. +. +. +. +. +. +.. + + +. +. + + +.... +... +.. +.. + +. + + 7 15 5 35 5 55 5 7 75 5 _.ps

abs. mean dev. 55 5 7 75 5 95 5 1 115 1 15 1 135 1 15 55 5 7 75 5 95 5 1 115 1 15 1 135 1 15 Page 55 5 7 75 5 95 5 1 115 1 15 1 135 1 15 RQRALKRP I APHLT I YKPQMTWMVSGLHRVTGCAMAGTLL I GGVGF SVLPLDFTTFVEF I RGLG I PWV I LDTFKF I I AF P I AFHTLNG I RF I GFDMAKGT Chi3 & chi +.. + +... + + + + + + + +. + +. + + + + +. +. +.. + +. +... +. +.. + + + 55 5 7 75 5 95 5 1 115 1 15 1 135 1 15 _.ps

abs. mean dev. 1 155 1 15 17 175 15 35 5 55 5 7 75 1 155 1 15 17 175 15 35 5 55 5 7 75 1 155 1 15 17 175 15 35 5 55 5 7 75 D Page 11 D I PS I YRGAYLVLGLAAL I SLAVVVYPRWERHKKATLPT + + + + + + +... + + + + + +. 3.5 + TSAAVTGAAPPQFDP I AAEKGFKPLHSHGTLFK I ERYFAAAMVPL I PAAYF 7...... +. +.. + + 9. + + + +. + + + +.. + + + +. Chi3 & chi 1 155 1 15 17 175 15 35 5 55 5 7 75 _.ps

abs. mean dev. 79 5 95 5 1 115 1 15 1 135 1 15 1 155 35 79 5 95 5 1 115 1 15 1 135 1 15 1 155 35 79 5 95 5 1 115 1 15 1 135 1 15 1 155 35 E Page 1 I HGREMDLCLALALTLHVHWGVWGVVNDYGRPFVLGDTLAAAVRVGAY I FTACLLAGLLYFNEHDVGLTRAFEMVWEL SN I AQYKV I DHA Chi3 & chi + + + + + +.... + + + + + + + + +. +. + + + + +. + + +... + + + + +.. +.. 79 5 95 5 1 115 1 15 1 135 1 15 1 155 35 _.ps

abs. mean dev. 55 5 7 75 5 95 5 1 115 1 15 1 135 1 55 5 7 75 5 95 5 1 115 1 15 1 135 1 Page 13 55 5 7 75 5 95 5 1 115 1 15 1 135 1 YDVV I I GAGGAGLRAAMGLGEAGFKTAVVTKMFPTRSHTTAAQGG I NAALGSMNPDDWKWHFYDTVKGSDWLGDQNAMHYLTRNAVEAVTELENFGMPFS Chi3 & chi.. +. +. +... + + + +.... + +. + +.. + +.. +..... + + + +... + +. +. + + + + +.. +. + + + 55 5 7 75 5 95 5 1 115 1 15 1 135 1 _.ps

abs. mean dev. 1 1 155 1 15 17 175 15 1 195 5 15 5 35 1 1 155 1 15 17 175 15 1 195 5 15 5 35 Page 1 1 1 155 1 15 17 175 15 1 195 5 15 5 35 RTPEGK I YQRSFGGQSNNYGKGGVAKRTCCVADRTGHSMLHTLYGNSLRCHCTFF I EYFALDLLMDKGRCVGV I ALCLEDGT I HRFRSKRT I VATGGYGR Chi3 & chi + 5 5. +..... + +. + +..... + +. +.. + + + + + 7.. 7. + +.. + + +.. +.. + + +.. + + + + +. + +. +. +... 1 1 155 1 15 17 175 15 1 195 5 15 5 35 _.ps

abs. mean dev. 55 5 7 75 5 95 5 3 315 3 35 3 335 3 55 5 7 75 5 95 5 3 315 3 35 3 335 3 Page 15 55 5 7 75 5 95 5 3 315 3 35 3 335 3 AYFSCTTAHMNTGDGTALATRAG I ALEDLEF I QFHPTG I YGVGCL I TEGSRGEGGFLVNSEGERFMERYAPKAKDLASRDVVSRAET I E IMEGRGVGPEK Chi3 & chi. +. +.... + +. +. +. +..... +.. +. + +.. + +. +..... +. + + + + + +. + +........ + + +. +. 55 5 7 75 5 95 5 3 315 3 35 3 335 3 _.ps

abs. mean dev. 3 3 355 3 35 37 375 3 35 3 395 5 15 5 35 3 3 355 3 35 37 375 3 35 3 395 5 15 5 35 Page 1 3 3 355 3 35 37 375 3 35 3 395 5 15 5 35 DH I YLQLHHLPAEQLHQRLPG I SETAK I FAGVDVTKEP I PV I PTVHYNMGG I PTNYKAQV I KYTKEGGDK I VPGLYACGECACHSVHGANRLGANSLLDA Chi3 & chi _.ps + + + +.. + + + +. +.... +. + +. + + +. +. +.. + +.... + + +.. + + +... +.... + + + 3 3 355 3 35 37 375 3 35 3 395 5 15 5 35 c = cis-peptide + c c

abs. mean dev. 55 5 7 75 5 95 5 5 515 5 55 5 535 5 55 5 7 75 5 95 5 5 515 5 55 5 535 5 Page 17 55 5 7 75 5 95 5 5 515 5 55 5 535 5 VVFGRACS I N I KEELKPDEK I PELPEGAGEES I ANLDAVRYANGDVPTAELRLTMQKTMQKHAGVFRRGD I LAEGVKKMMDLFKELKRLKTTDRSL IWNS Chi3 & chi. +.. +.. + + +. +.. +.. +...... + +.. +. + +. +. + + + + + +. + +. + + + +.. +. +. + + 55 5 7 75 5 95 5 5 515 5 55 5 535 5 _.ps

abs. mean dev. 5 5 555 5 55 57 575 5 55 5 595 5 15 5 35 5 5 555 5 55 57 575 5 55 5 595 5 15 5 35 Page 1 5 5 555 5 55 57 575 5 55 5 595 5 15 5 35 DLTESLELQNLMLNATQT I VAAENRKESRGAHARDDFPKREDEYDYSKP I EGQTKRPFEKHWRKHTLTKQDPRTGH I TLDYRPV I DKTLDPAEVDWI PP I Chi3 & chi +. +. + +..... +. +. + +... +. +. + + + + + +.. +. + + + + +. +.... + +.. +..... +. +. 5 5 555 5 55 57 575 5 55 5 595 5 15 5 35 _.ps

abs. mean dev. 5 55 5 7 75 5 95 5 1 115 5 55 5 7 75 5 95 5 1 115 5 55 5 7 75 5 95 5 1 115 F Page 19 I RSY KR I KTFE I YRFNPEEPGAKPKLQKFDVDLDKCGTMVLDAL I K I KNEVDPTLTFRRSCREG I CGSCAMN I AGENTLAC I CN I DQNTS Chi3 & chi + + +... +.. +.. +.... + +.. +... + +. +.. +... + +. +... + +. +. +. + + + + + 5 55 5 7 75 5 95 5 1 115 _.ps

abs. mean dev. 119 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 119 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 Page 119 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 KTTK I YPLPHMFV I KDLVPDMNLFYAQYAS I QPWLQKKTK I NLGEKQQYQS I KEQEKLDGLYEC I LCACCSASCPSYWWNADKYLGPAVLMQAYRWI I DS Chi3 & chi + + + +. +. +.. + + +......... + + + + + + + + +.. +. + + +.. +. +. +. + +.. + +... 9.7 + +.... + +. + 1 119 15 1 135 1 15 1 155 1 15 17 175 15 1 195 5 15 _.ps

abs. mean dev. 19 5 35 5 55 5 7 75 5 55 19 5 35 5 55 5 7 75 5 55 19 5 35 5 55 5 7 75 5 55 G Page 1 RDDSAAERLARMQDGFSAFKCHT IMNCTKTCPKHLNPARA I GE I KMLLTKMKTKPAPLPTPANF EKTP I QVWGWDYLMRQRALKRP I APH Chi3 & chi + + + + + + +.. + + + + +. + +.. + +.. +.. + +. +.. +. + + + + + +... 19 5 35 5 55 5 7 75 5 55 _.ps

abs. mean dev. 5 7 75 5 95 5 1 115 1 15 1 135 1 15 1 155 5 7 75 5 95 5 1 115 1 15 1 135 1 15 1 155 Page 5 7 75 5 95 5 1 115 1 15 1 135 1 15 1 155 LT I YKPQMTWMVSGLHRVTGCAMAGTLL I GGVGF SVLPLDFTTFVEF I RGLG I PWV I LDTFKF I I AF P I AFHTLNG I RF I GFDMAKGTD I P S I YRGAYLV Chi3 & chi + +... +... + + + + + + +.. +. + +. + +. +. + + +. +. + + +. 5 7 75 5 95 5 1 115 1 15 1 135 1 15 1 155 _.ps

abs. mean dev. 1 15 17 175 15 35 5 55 5 7 75 5 1 15 17 175 15 35 5 55 5 7 75 5 1 15 17 175 15 35 5 55 5 7 75 5 H Page 3 LGLAAL I SLAVVVYPRWERHKKATLPT TSAAVTGAAPPQFDP I AAEKGFKPLHSHGTLFK I ERYFAAAMVPL I PAAYF I HGREMDLCLAL Chi3 & chi. + + +.. + + + + + +. + 1..... + + + + + +. 9. + + +.5. + + +... + + +. + + + + + + + + 1 15 17 175 15 35 5 55 5 7 75 5 _.ps

abs. mean dev. 91 5 1 115 1 15 1 135 1 15 1 155 91 5 1 115 1 15 1 135 1 15 1 155 Page 91 5 1 115 1 15 1 135 1 15 1 155 ALTLHVHWGVWGVVNDYGRPFVLGDTLAAAVRVGAY I FTACLLAGLLYFNEHDVGLTRAFEMVWEL + + + + + +.. + +. + +. + + + + + + + +.. + +. +. Chi3 & chi Ave -.9 -.39 -.9.31 -. -.3.5.. 91 5 1 115 1 15 1 135 1 15 1 155 -. _.ps

C-N (except Pro) Main-chain bond lengths C-N (Pro) C-O Page 1 1. 1. 1. 1.3 1.3 1. CA-C (except Gly) 1. 1. 1. 1.3 1.3 1. CA-C (Gly) 1.11 1.15 1.19 1.3 1.7 1.31 CA-CB (Ala) 1. 1. 1. 1.5 1.5 1. CA-CB (Ile,Thr,Val) 1.39 1.3 1.7 1.51 1.55 1.59 CA-CB (the rest) 1. 1. 1. 1.5 1.5 1. N-CA (except Gly,Pro) 1. 1. 1. 1.5 1.5 1. N-CA (Gly) 1.1 1.5 1.9 1.53 1.57 1.1 N-CA (Pro) 1.33 1.37 1.1 1.5 1.9 1.53 1.33 1.37 1.1 1.5 1.9 1.53 1.3 1.3 1. 1. 1. 1.5 Black bars >. st. devs. from mean. Solid and dashed lines represent the mean and standard deviation values as per Engh & Huber small-molecule data. _7.ps

CA-C-N (except Gly,Pro) Main-chain bond angles CA-C-N (Gly) CA-C-N (Pro) Page 1 1 111 11 11 1 O-C-N (except Pro) 1 111 11 11 1 O-C-N (Pro) 1 111 11 11 1 C-N-CA (except Gly,Pro) 113 11 13 1 133 C-N-CA (Gly) 7 11 117 1 17 13 C-N-CA (Pro) 111 11 11 1 131 CA-C-O (except Gly) 5 1 115 1 15 1 CA-C-O (Gly) 7 11 117 1 17 13 CB-CA-C (Ala) 5 1 115 1 15 1 CB-CA-C (Ile,Thr,Val) 5 1 115 1 15 1 95 5 1 115 1 9 99 9 11 119 Black bars >. st. devs. from mean. Solid and dashed lines represent the mean and standard deviation values as per Engh & Huber small-molecule data. _.ps

CB-CA-C (the rest) Main-chain bond angles N-CA-C (except Gly,Pro) N-CA-C (Gly) Page 95 5 1 115 1 N-CA-C (Pro) 9 1 111 11 11 N-CA-CB (Ala) 97 7 11 117 1 N-CA-CB (Ile,Thr,Val) 9 1 111 11 11 N-CA-CB (Pro) 95 5 1 115 1 N-CA-CB (the rest) 9 1 111 11 11 93 9 3 113 95 5 1 115 1 Black bars >. st. devs. from mean. Solid and dashed lines represent the mean and standard deviation values as per Engh & Huber small-molecule data. _.ps

RMS distances from planarity ARG ASN ASP Page 1 1 1 1..1..3...1..3...1..3. GLN GLU HIS 1 1 1..1..3...1..3...1..3. PHE TRP TYR 1 1 1..1..3...1..3...1..3. Histograms showing RMS distances of planar atoms from best-fit plane. Black bars indicate large deviations from planarity: RMS dist >.3 for rings, and >. otherwise. _9.ps

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