A0A077ZHL6_TRITR Loading...

Collagen domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 327 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low54.4Low240 Ų240134 Ų134100%1.18276%0.755SS**  078.40-62.3171.3-179.400104.4
2D44.9Very low56.4Low127 Ų127133.3 Ų133.368%0.67975%0.746SS**  69.1116.384.1-158.810.9000109.1
3H45Very low58.4Low189 Ų189129.9 Ų129.988%0.87572%0.721SS**  trans172.892.4149.9-83.1-43.7000109.4
4T47.7Very low60.2Low122 Ų122130.4 Ų130.475%0.74872%0.715SS**  trans-57.8131.7156.927.60000112.5
5K50.6Low61.9Low196 Ų196128.5 Ų128.585%0.85270%0.703SS**  trans53.1143.3147.1-93-179.4178.2177.40121.3
6P51.8Low63.6Low109 Ų109130.1 Ų130.171%0.70870%0.696SS**  -142.9142.699.833.3-15.6000116.7
7S54.7Low65.1Low99 Ų99132.5 Ų132.569%0.69269%0.693SS**  trans26.680.9147.866.10000123.3
8D55.8Low66.5Low141 Ų141129.1 Ų129.175%0.75468%0.678SS**  trans-97.54170.9-72.3-34.8000115.7P11D8-P11 WeakPolarHBondContact O-CD 3.28Å; D8-P11 WeakPolarHBondContact O-CG 3.49Å
9S62.2Low67.7Low91 Ų91125.9 Ų125.964%0.63667%0.665SS**Hα-helixtrans-85.9-23.9-171.4580000116.1L12 E13S9-L12 PolarHBondContact O-N 2.82Å; S9-E13 PolarHBondContact O-N 3.49Å
10A67.8Low69Low76 Ų76124.2 Ų124.263%0.62866%0.655SS**Hα-helixtrans-63.3-44.517800000114.6L12 Q14A10-L12 PolarHBondContact O-N 2.99Å; A10-Q14 PolarHBondContact O-N 3.38Å
11P74.4Confident70Confident84 Ų84122 Ų12255%0.54565%0.65SS.*Hα-helixtrans-66.4-2817924.7-33.7000112.5D8 L15D8-P11 WeakPolarHBondContact O-CD 3.28Å; D8-P11 WeakPolarHBondContact O-CG 3.49Å; P11-L15 VanDerWaalsContact O-CB 3.32Å; P11-L15 WeakPolarHBondContact O-CB 3.17Å; P11-L15 PolarHBondContact O-N 2.6Å
12L78Confident72.3Confident125 Ų125115.3 Ų115.365%0.65462%0.622SS**Hα-helixtrans-70.8-41.6-178-160.476.6000112.5S9 A10 L15 R16S9-L12 PolarHBondContact O-N 2.82Å; A10-L12 PolarHBondContact O-N 2.99Å; L12-L15 PolarHBondContact O-N 3.5Å; L12-R16 WeakPolarHBondContact O-CB 3.24Å; L12-R16 PolarHBondContact O-N 3.06Å
13E81.9Confident74.5Confident90 Ų90113.9 Ų113.942%0.42161%0.614SS.*Hα-helixtrans-70-37.1176.5-90.5-66.214200112.2S9 L15 R16 R17S9-E13 PolarHBondContact O-N 3.49Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-R16 PolarHBondContact O-N 3.46Å; E13-R16 IonicContact OE1-NH1 3.36Å; E13-R16 PolarHBondContact OE1-NH1 2.87Å; E13-R17 WeakPolarHBondContact O-CG 3.21Å; E13-R17 PolarHBondContact O-N 3.45Å
14Q83.6Confident76.8Confident136 Ų136108.3 Ų108.364%0.63659%0.593SS**Hα-helixtrans-60.4-46.1172.5-167.691.5-19.100110.7A10 R16 R17 T18A10-Q14 PolarHBondContact O-N 3.38Å; Q14-R16 VanDerWaalsContact C-N 3.33Å; Q14-R16 PolarHBondContact O-N 3.35Å; Q14-R17 PolarHBondContact O-N 3.23Å; Q14-T18 WeakPolarHBondContact O-CG2 3.47Å; Q14-T18 PolarHBondContact O-N 2.95Å; Q14-T18 PolarHBondContact O-OG1 2.8Å
15L85.9Confident79Confident103 Ų103109.5 Ų109.554%0.53959%0.588SS.*Hα-helixtrans-63.4-37.9177.6-173.864.7000112.1P11 L12 E13 T18 T19P11-L15 VanDerWaalsContact O-CB 3.32Å; P11-L15 WeakPolarHBondContact O-CB 3.17Å; P11-L15 PolarHBondContact O-N 2.6Å; L12-L15 PolarHBondContact O-N 3.5Å; E13-L15 VanDerWaalsContact C-N 3.34Å; L15-T18 WeakPolarHBondContact CA-OG1 3.2Å; L15-T18 PolarHBondContact O-OG1 3.39Å; L15-T19 VanDerWaalsContact O-CB 3.3Å; L15-T19 WeakPolarHBondContact O-CB 3.05Å; L15-T19 PolarHBondContact O-N 2.79Å; L15-T19 PolarHBondContact O-OG1 2.92Å
16R88.9Confident80.8Confident153 Ų153102.2 Ų102.258%0.57756%0.564SS**Hα-helixtrans-64.5-44.5176.3-171.6-179.3178.9-168.71.9111.6L12 E13 Q14 T19 I20L12-R16 WeakPolarHBondContact O-CB 3.24Å; L12-R16 PolarHBondContact O-N 3.06Å; E13-R16 PolarHBondContact O-N 3.46Å; E13-R16 IonicContact OE1-NH1 3.36Å; E13-R16 PolarHBondContact OE1-NH1 2.87Å; Q14-R16 VanDerWaalsContact C-N 3.33Å; Q14-R16 PolarHBondContact O-N 3.35Å; R16-T19 PolarHBondContact O-N 3.15Å; R16-I20 HydrophobicContact CG-CD1 4.08Å; R16-I20 VanDerWaalsContact O-CG1 3.3Å; R16-I20 WeakPolarHBondContact O-CG1 3.19Å; R16-I20 PolarHBondContact O-N 2.05Å
17R89.9Confident82.7Confident172 Ų172100.1 Ų100.165%0.64955%0.55SS*.Hα-helixtrans-64.9-44.1177.9-72-178.9-176-161.8-0.5112.3E13 Q14 T19 I20 S21E13-R17 WeakPolarHBondContact O-CG 3.21Å; E13-R17 PolarHBondContact O-N 3.45Å; Q14-R17 PolarHBondContact O-N 3.23Å; R17-T19 VanDerWaalsContact C-N 3.35Å; R17-I20 PolarHBondContact O-N 3.41Å; R17-S21 PolarHBondContact O-N 3.45Å; R17-S21 PolarHBondContact O-OG 3.15Å
18T89.3Confident84.5Confident71 Ų71100.3 Ų100.344%0.43654%0.542SS..Hα-helixtrans-64.3-41.717753.50000111.3Q14 L15 I20 S21 V22Q14-T18 WeakPolarHBondContact O-CG2 3.47Å; Q14-T18 PolarHBondContact O-N 2.95Å; Q14-T18 PolarHBondContact O-OG1 2.8Å; L15-T18 WeakPolarHBondContact CA-OG1 3.2Å; L15-T18 PolarHBondContact O-OG1 3.39Å; T18-I20 PolarHBondContact O-N 3.44Å; T18-S21 PolarHBondContact O-N 3.36Å; T18-V22 VanDerWaalsContact O-CG2 3.27Å; T18-V22 WeakPolarHBondContact O-CG2 3.46Å; T18-V22 PolarHBondContact O-N 3.5Å
19T90.6Very high86.1Confident68 Ų6896.9 Ų96.942%0.41753%0.526SS..Hα-helixtrans-61.1-45.3176.9-55.40000111.8L15 R16 R17 V22 I23L15-T19 VanDerWaalsContact O-CB 3.3Å; L15-T19 WeakPolarHBondContact O-CB 3.05Å; L15-T19 PolarHBondContact O-N 2.79Å; L15-T19 PolarHBondContact O-OG1 2.92Å; R16-T19 PolarHBondContact O-N 3.15Å; R17-T19 VanDerWaalsContact C-N 3.35Å; T19-V22 PolarHBondContact O-N 2.82Å; T19-I23 HydrophobicContact CG2-CD1 3.89Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.39Å; T19-I23 PolarHBondContact O-N 3.02Å
20I92.4Very high87.3Confident91 Ų9196.4 Ų96.447%0.46752%0.52SS..Hα-helixtrans-62.3-45.9177-67.9166.4000110.8R16 R17 T18 V22 I23 V24R16-I20 HydrophobicContact CG-CD1 4.08Å; R16-I20 VanDerWaalsContact O-CG1 3.3Å; R16-I20 WeakPolarHBondContact O-CG1 3.19Å; R16-I20 PolarHBondContact O-N 2.05Å; R17-I20 PolarHBondContact O-N 3.41Å; T18-I20 PolarHBondContact O-N 3.44Å; I20-V22 VanDerWaalsContact C-N 3.34Å; I20-V22 PolarHBondContact O-N 2.81Å; I20-I23 PolarHBondContact O-N 3.24Å; I20-V24 HydrophobicContact CG2-CG2 4.28Å; I20-V24 VanDerWaalsContact O-CG2 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 2.96Å
21S91.5Very high88.4Confident78 Ų7896.5 Ų96.555%0.54551%0.512SS..Hα-helixtrans-61.8-40178.3-670000112.7R17 T18 V24 F25R17-S21 PolarHBondContact O-N 3.45Å; R17-S21 PolarHBondContact O-OG 3.15Å; T18-S21 PolarHBondContact O-N 3.36Å; S21-V24 PolarHBondContact O-N 2.87Å; S21-F25 WeakPolarHBondContact O-CB 3Å; S21-F25 PolarHBondContact O-N 2.89Å
22V91.5Very high89.3Confident100 Ų10098.8 Ų98.861%0.60651%0.514SS*.Hα-helixtrans-65.4-42.8176.1171.70000111T18 T19 I20 F25 A26T18-V22 VanDerWaalsContact O-CG2 3.27Å; T18-V22 WeakPolarHBondContact O-CG2 3.46Å; T18-V22 PolarHBondContact O-N 3.5Å; T19-V22 PolarHBondContact O-N 2.82Å; I20-V22 VanDerWaalsContact C-N 3.34Å; I20-V22 PolarHBondContact O-N 2.81Å; V22-F25 PolarHBondContact O-N 3.19Å; V22-A26 VanDerWaalsContact O-CB 3.25Å; V22-A26 WeakPolarHBondContact O-CB 3.5Å; V22-A26 PolarHBondContact O-N 2.93Å
23I91.4Very high90Very high97 Ų9795.5 Ų95.550%0.49750%0.5SS..Hα-helixtrans-63.7-45.9177.5-68.4166.8000110.7T19 I20 F25 A26 T27T19-I23 HydrophobicContact CG2-CD1 3.89Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.39Å; T19-I23 PolarHBondContact O-N 3.02Å; I20-I23 PolarHBondContact O-N 3.24Å; I23-F25 PolarHBondContact O-N 3.18Å; I23-A26 PolarHBondContact O-N 2.86Å; I23-T27 HydrophobicContact CG2-CG2 4.41Å; I23-T27 WeakPolarHBondContact O-CG2 3.22Å; I23-T27 PolarHBondContact O-N 2.92Å; I23-T27 PolarHBondContact O-OG1 2.04Å
24V93.2Very high90.5Very high73 Ų7394.9 Ų94.944%0.44251%0.506SS..Hα-helixtrans-63.6-41.2178.9172.80000111.3I20 S21 T27 L28I20-V24 HydrophobicContact CG2-CG2 4.28Å; I20-V24 VanDerWaalsContact O-CG2 3.31Å; I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 2.96Å; S21-V24 PolarHBondContact O-N 2.87Å; V24-T27 PolarHBondContact O-N 3.43Å; V24-T27 PolarHBondContact O-OG1 2.91Å; V24-L28 HydrophobicContact CG1-CD1 3.85Å; V24-L28 WeakPolarHBondContact O-CB 3.15Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.5Å
25F93.3Very high91Very high147 Ų14792.2 Ų92.265%0.64550%0.498SS*.Hα-helixtrans-66.5-41.1175.7-170.1-96.9000111.7S21 V22 I23 L28 T29S21-F25 WeakPolarHBondContact O-CB 3Å; S21-F25 PolarHBondContact O-N 2.89Å; V22-F25 PolarHBondContact O-N 3.19Å; I23-F25 PolarHBondContact O-N 3.18Å; F25-L28 PolarHBondContact O-N 3.13Å; F25-T29 HydrophobicContact CD1-CG2 4.06Å; F25-T29 HydrophobicContact CE1-CG2 3.71Å; F25-T29 HydrophobicContact CE2-CG2 4.22Å; F25-T29 HydrophobicContact CG-CG2 4.46Å; F25-T29 HydrophobicContact CZ-CG2 3.8Å; F25-T29 WeakPolarHBondContact O-CB 3.06Å; F25-T29 VanDerWaalsContact O-CG2 3.3Å; F25-T29 WeakPolarHBondContact O-CG2 3.46Å; F25-T29 PolarHBondContact O-N 3.36Å; F25-T29 PolarHBondContact O-OG1 2.66Å
26A89.4Confident91.4Very high42 Ų4291.4 Ų91.435%0.34749%0.494SS..Hα-helixtrans-64.1-41.9177.100000111.8V22 I23 T29 T30V22-A26 VanDerWaalsContact O-CB 3.25Å; V22-A26 WeakPolarHBondContact O-CB 3.5Å; V22-A26 PolarHBondContact O-N 2.93Å; I23-A26 PolarHBondContact O-N 2.86Å; A26-T29 PolarHBondContact O-N 3.45Å; A26-T29 PolarHBondContact O-OG1 3.42Å; A26-T30 WeakPolarHBondContact O-CB 3.38Å; A26-T30 WeakPolarHBondContact O-CG2 3.4Å; A26-T30 PolarHBondContact O-N 2.85Å; A26-T30 PolarHBondContact O-OG1 3.45Å
27T90.3Very high91.7Very high66 Ų6687.9 Ų87.941%0.40549%0.49SS..Iπ-helixtrans-69.4-39.817856.20000112.2I23 V24 T29 V31 F32I23-T27 HydrophobicContact CG2-CG2 4.41Å; I23-T27 WeakPolarHBondContact O-CG2 3.22Å; I23-T27 PolarHBondContact O-N 2.92Å; I23-T27 PolarHBondContact O-OG1 2.04Å; V24-T27 PolarHBondContact O-N 3.43Å; V24-T27 PolarHBondContact O-OG1 2.91Å; T27-T29 VanDerWaalsContact C-N 3.35Å; T27-T29 PolarHBondContact O-N 2.88Å; T27-V31 HydrophobicContact CG2-CG2 4.42Å; T27-V31 WeakPolarHBondContact O-CA 3.49Å; T27-V31 VanDerWaalsContact O-CB 3.26Å; T27-V31 WeakPolarHBondContact O-CB 3.16Å; T27-V31 PolarHBondContact O-N 3.07Å; T27-F32 PolarHBondContact O-N 3Å; T27-F32 VanDerWaalsContact O-N 3.16Å
28L92.4Very high91.8Very high103 Ų10382.6 Ų82.654%0.53948%0.483SS..Iπ-helixtrans-66.9-32.5175.6-76.6167.8000113.3V24 F25 P33V24-L28 HydrophobicContact CG1-CD1 3.85Å; V24-L28 WeakPolarHBondContact O-CB 3.15Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.5Å; F25-L28 PolarHBondContact O-N 3.13Å; L28-P33 WeakPolarHBondContact O-CD 3.24Å
29T90.2Very high92.1Very high69 Ų6984.4 Ų84.442%0.42349%0.489SS..Iπ-helixtrans-88.6-25.2-178.652.60000114F25 A26 T27 P33F25-T29 HydrophobicContact CD1-CG2 4.06Å; F25-T29 HydrophobicContact CE1-CG2 3.71Å; F25-T29 HydrophobicContact CE2-CG2 4.22Å; F25-T29 HydrophobicContact CG-CG2 4.46Å; F25-T29 HydrophobicContact CZ-CG2 3.8Å; F25-T29 WeakPolarHBondContact O-CB 3.06Å; F25-T29 VanDerWaalsContact O-CG2 3.3Å; F25-T29 WeakPolarHBondContact O-CG2 3.46Å; F25-T29 PolarHBondContact O-N 3.36Å; F25-T29 PolarHBondContact O-OG1 2.66Å; A26-T29 PolarHBondContact O-N 3.45Å; A26-T29 PolarHBondContact O-OG1 3.42Å; T27-T29 VanDerWaalsContact C-N 3.35Å; T27-T29 PolarHBondContact O-N 2.88Å; T29-P33 WeakPolarHBondContact O-CG 3.42Å
30T88.2Confident92.4Very high80 Ų8086 Ų8649%0.49150%0.495SS..Iπ-helixtrans-111.1-45.9-176.263.60000113A26 S34A26-T30 WeakPolarHBondContact O-CB 3.38Å; A26-T30 WeakPolarHBondContact O-CG2 3.4Å; A26-T30 PolarHBondContact O-N 2.85Å; A26-T30 PolarHBondContact O-OG1 3.45Å; T30-S34 WeakPolarHBondContact O-CB 2.74Å; T30-S34 PolarHBondContact O-N 3.49Å; T30-S34 PolarHBondContact O-OG 3.09Å
31V90.9Very high92.5Very high79 Ų7986.4 Ų86.448%0.47950%0.497SS..Iπ-helixtrans-80.5-47.2-173.3-1750000110.2T27 S34 V35T27-V31 HydrophobicContact CG2-CG2 4.42Å; T27-V31 WeakPolarHBondContact O-CA 3.49Å; T27-V31 VanDerWaalsContact O-CB 3.26Å; T27-V31 WeakPolarHBondContact O-CB 3.16Å; T27-V31 PolarHBondContact O-N 3.07Å; V31-S34 PolarHBondContact O-N 2.97Å; V31-V35 HydrophobicContact CG1-CG2 4.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.34Å; V31-V35 PolarHBondContact O-N 3.12Å
32F92.3Very high92.6Very high131 Ų13184.1 Ų84.158%0.57549%0.486SS*.Hα-helixtrans-61.3-46.9-177-172-93.6000113.3T27 S34 V35 L36T27-F32 PolarHBondContact O-N 3Å; T27-F32 VanDerWaalsContact O-N 3.16Å; F32-S34 VanDerWaalsContact C-N 3.33Å; F32-S34 PolarHBondContact O-N 3.15Å; F32-V35 PolarHBondContact O-N 3.2Å; F32-L36 WeakPolarHBondContact O-CB 3.4Å; F32-L36 PolarHBondContact O-N 3.19Å
33P93.5Very high92.7Very high56 Ų5685.6 Ų85.636%0.36449%0.487SS..Hα-helixtrans-65.7-36.4176.9-22.336.7000112.1L28 T29 V35 L36 V37L28-P33 WeakPolarHBondContact O-CD 3.24Å; T29-P33 WeakPolarHBondContact O-CG 3.42Å; P33-V35 PolarHBondContact O-N 3.4Å; P33-L36 PolarHBondContact O-N 3.34Å; P33-V37 WeakPolarHBondContact O-CB 3.32Å; P33-V37 WeakPolarHBondContact O-CG2 3.17Å; P33-V37 PolarHBondContact O-N 3.03Å
34S91.7Very high92.8Very high78 Ų7885 Ų8555%0.54549%0.488SS..Hα-helixtrans-63.3-42.7177.3-61.30000111.9T30 V31 F32 A38T30-S34 WeakPolarHBondContact O-CB 2.74Å; T30-S34 PolarHBondContact O-N 3.49Å; T30-S34 PolarHBondContact O-OG 3.09Å; V31-S34 PolarHBondContact O-N 2.97Å; F32-S34 VanDerWaalsContact C-N 3.33Å; F32-S34 PolarHBondContact O-N 3.15Å; S34-A38 WeakPolarHBondContact O-CB 2.85Å; S34-A38 PolarHBondContact O-N 2.94Å
35V93.7Very high92.7Very high79 Ų7988 Ų8848%0.47950%0.497SS..Hα-helixtrans-67.6-41.3175.9175.70000111.1V31 F32 P33 A38 L39V31-V35 HydrophobicContact CG1-CG2 4.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.34Å; V31-V35 PolarHBondContact O-N 3.12Å; F32-V35 PolarHBondContact O-N 3.2Å; P33-V35 PolarHBondContact O-N 3.4Å; V35-A38 PolarHBondContact O-N 2.86Å; V35-L39 HydrophobicContact CG1-CD1 4.13Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; V35-L39 PolarHBondContact O-N 2.96Å
36L94.4Very high92.6Very high86 Ų8687.2 Ų87.245%0.4550%0.495SS..Hα-helixtrans-63.1-44.2176.9-175.765.1000111.7F32 P33 L39 L40F32-L36 WeakPolarHBondContact O-CB 3.4Å; F32-L36 PolarHBondContact O-N 3.19Å; P33-L36 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 2.99Å; L36-L40 HydrophobicContact CG-CD1 4.21Å; L36-L40 WeakPolarHBondContact O-CB 3.44Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.32Å; L36-L40 PolarHBondContact O-N 3.24Å
37V95.4Very high92.9Very high80 Ų8090.2 Ų90.249%0.48550%0.504SS..Hα-helixtrans-62-44.1175.3169.80000110.5P33 L39 L40 L41P33-V37 WeakPolarHBondContact O-CB 3.32Å; P33-V37 WeakPolarHBondContact O-CG2 3.17Å; P33-V37 PolarHBondContact O-N 3.03Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 3.15Å; V37-L40 PolarHBondContact O-N 2.96Å; V37-L41 HydrophobicContact CG1-CD1 3.8Å; V37-L41 HydrophobicContact CG1-CG 4.19Å; V37-L41 WeakPolarHBondContact O-CB 3.26Å; V37-L41 VanDerWaalsContact O-CG 3.23Å; V37-L41 WeakPolarHBondContact O-CG 3.04Å; V37-L41 PolarHBondContact O-N 2.93Å
38A93Very high93Very high61 Ų6193.1 Ų93.150%0.50451%0.513SS..Hα-helixtrans-61.4-41.4176.700000112.5S34 V35 G42S34-A38 WeakPolarHBondContact O-CB 2.85Å; S34-A38 PolarHBondContact O-N 2.94Å; V35-A38 PolarHBondContact O-N 2.86Å; A38-G42 PolarHBondContact O-N 3.01Å
39L95.4Very high92.9Very high108 Ų10891.2 Ų91.257%0.56551%0.509SS*.Hα-helixtrans-64.2-46.2175.1-76.4167.2000111.8V35 L36 V37 G42 Q43V35-L39 HydrophobicContact CG1-CD1 4.13Å; V35-L39 WeakPolarHBondContact O-CG 3.24Å; V35-L39 PolarHBondContact O-N 2.96Å; L36-L39 PolarHBondContact O-N 2.99Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 3.15Å; L39-G42 PolarHBondContact O-N 3.16Å; L39-Q43 WeakPolarHBondContact O-CG 3.04Å; L39-Q43 PolarHBondContact O-N 2.88Å
40L96Very high92.9Very high102 Ų10292.4 Ų92.453%0.53451%0.509SS..Hα-helixtrans-62.7-43.4177.5-72172.9000111.7L36 V37 G42 Q43 V44L36-L40 HydrophobicContact CG-CD1 4.21Å; L36-L40 WeakPolarHBondContact O-CB 3.44Å; L36-L40 VanDerWaalsContact O-CG 3.32Å; L36-L40 WeakPolarHBondContact O-CG 3.32Å; L36-L40 PolarHBondContact O-N 3.24Å; V37-L40 PolarHBondContact O-N 2.96Å; L40-G42 VanDerWaalsContact C-N 3.31Å; L40-G42 PolarHBondContact O-N 3.48Å; L40-Q43 PolarHBondContact O-N 3.15Å; L40-V44 VanDerWaalsContact O-CG2 3.32Å; L40-V44 WeakPolarHBondContact O-CG2 3.13Å; L40-V44 PolarHBondContact O-N 2.98Å
41L94.6Very high93.2Very high99 Ų9992.7 Ų92.752%0.51851%0.507SS..Hα-helixtrans-60.5-41.6174.8-72.4173.8000111.3V37 V44 Q45V37-L41 HydrophobicContact CG1-CD1 3.8Å; V37-L41 HydrophobicContact CG1-CG 4.19Å; V37-L41 WeakPolarHBondContact O-CB 3.26Å; V37-L41 VanDerWaalsContact O-CG 3.23Å; V37-L41 WeakPolarHBondContact O-CG 3.04Å; V37-L41 PolarHBondContact O-N 2.93Å; L41-V44 PolarHBondContact O-N 3.33Å; L41-Q45 WeakPolarHBondContact O-CB 3.13Å; L41-Q45 VanDerWaalsContact O-CG 3.27Å; L41-Q45 WeakPolarHBondContact O-CG 3.11Å; L41-Q45 PolarHBondContact O-N 3.11Å
42G93.8Very high93.3Very high31 Ų3192 Ų9232%0.3251%0.506SS..Hα-helixtrans-60.8-43.217400000113.1A38 L39 L40 Q45 H46A38-G42 PolarHBondContact O-N 3.01Å; L39-G42 PolarHBondContact O-N 3.16Å; L40-G42 VanDerWaalsContact C-N 3.31Å; L40-G42 PolarHBondContact O-N 3.48Å; G42-Q45 PolarHBondContact O-N 3.35Å; G42-H46 WeakPolarHBondContact O-CB 2.89Å; G42-H46 PolarHBondContact O-N 3.42Å
43Q92.9Very high93.2Very high131 Ų13191.6 Ų91.661%0.61251%0.505SS*.Hα-helixtrans-64.7-42.6176-66.7-59.6-50.800112.2L39 L40 H46 L47L39-Q43 WeakPolarHBondContact O-CG 3.04Å; L39-Q43 PolarHBondContact O-N 2.88Å; L40-Q43 PolarHBondContact O-N 3.15Å; Q43-H46 PolarHBondContact O-N 2.87Å; Q43-L47 WeakPolarHBondContact O-CB 3.44Å; Q43-L47 PolarHBondContact O-N 3.5Å
44V94.5Very high93.2Very high85 Ų8594 Ų9452%0.51551%0.512SS..Hα-helixtrans-63.7-43.9177.21720000110.8L40 L41 H46 L47 Q48L40-V44 VanDerWaalsContact O-CG2 3.32Å; L40-V44 WeakPolarHBondContact O-CG2 3.13Å; L40-V44 PolarHBondContact O-N 2.98Å; L41-V44 PolarHBondContact O-N 3.33Å; V44-H46 PolarHBondContact O-N 3.46Å; V44-L47 PolarHBondContact O-N 2.78Å; V44-Q48 VanDerWaalsContact O-CB 3.27Å; V44-Q48 WeakPolarHBondContact O-CB 3.31Å; V44-Q48 PolarHBondContact O-N 3.04Å
45Q91.8Very high93.2Very high136 Ų13694.6 Ų94.664%0.63651%0.508SS*.Hα-helixtrans-62.4-42.9176.6-74.8175.9-32.500111.9L41 G42 Q48 S49L41-Q45 WeakPolarHBondContact O-CB 3.13Å; L41-Q45 VanDerWaalsContact O-CG 3.27Å; L41-Q45 WeakPolarHBondContact O-CG 3.11Å; L41-Q45 PolarHBondContact O-N 3.11Å; G42-Q45 PolarHBondContact O-N 3.35Å; Q45-Q48 PolarHBondContact O-N 3.02Å; Q45-S49 WeakPolarHBondContact O-CB 3.5Å; Q45-S49 PolarHBondContact O-N 3.06Å
46H90.8Very high93Very high130 Ų13096.4 Ų96.460%0.60251%0.514SS*.Hα-helixtrans-63-45.7176.6-174.9-87.3000111.8G42 Q43 V44 S49 H50G42-H46 WeakPolarHBondContact O-CB 2.89Å; G42-H46 PolarHBondContact O-N 3.42Å; Q43-H46 PolarHBondContact O-N 2.87Å; V44-H46 PolarHBondContact O-N 3.46Å; H46-S49 WeakPolarHBondContact O-CB 3.35Å; H46-S49 PolarHBondContact O-N 3.19Å; H46-H50 PolarHBondContact O-N 3.13Å
47L94.1Very high92.8Very high105 Ų10598 Ų9855%0.5552%0.519SS..Hα-helixtrans-64.1-42.8177.5-17562.8000111.9Q43 V44 S49 H50 I51Q43-L47 WeakPolarHBondContact O-CB 3.44Å; Q43-L47 PolarHBondContact O-N 3.5Å; V44-L47 PolarHBondContact O-N 2.78Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-S49 PolarHBondContact O-N 3.08Å; L47-H50 PolarHBondContact O-N 2.99Å; L47-I51 HydrophobicContact CD1-CD1 4.29Å; L47-I51 HydrophobicContact CD1-CG1 4.5Å; L47-I51 HydrophobicContact CG-CD1 3.96Å; L47-I51 WeakPolarHBondContact O-CG1 3.23Å; L47-I51 PolarHBondContact O-N 3.33Å
48Q93.7Very high92.5Very high126 Ų12697.9 Ų97.959%0.58952%0.521SS*.Hα-helixtrans-62.1-39.7176.8-177.2175.2-29.800111.8V44 Q45 S52V44-Q48 VanDerWaalsContact O-CB 3.27Å; V44-Q48 WeakPolarHBondContact O-CB 3.31Å; V44-Q48 PolarHBondContact O-N 3.04Å; Q45-Q48 PolarHBondContact O-N 3.02Å; Q48-S52 WeakPolarHBondContact O-CB 3.4Å; Q48-S52 PolarHBondContact O-N 2.86Å; Q48-S52 PolarHBondContact O-OG 2.96Å
49S90.7Very high92.3Very high64 Ų64100.5 Ų100.545%0.44852%0.523SS..Hα-helixtrans-61.6-46173.7-177.70000111.5Q45 H46 L47 S52 Q53Q45-S49 WeakPolarHBondContact O-CB 3.5Å; Q45-S49 PolarHBondContact O-N 3.06Å; H46-S49 WeakPolarHBondContact O-CB 3.35Å; H46-S49 PolarHBondContact O-N 3.19Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-S49 PolarHBondContact O-N 3.08Å; S49-S52 PolarHBondContact O-N 3.46Å; S49-Q53 WeakPolarHBondContact O-CG 3.29Å; S49-Q53 PolarHBondContact O-N 3.48Å
50H90.1Very high91.9Very high94 Ų9498.4 Ų98.444%0.43552%0.515SS..Hα-helixtrans-65.4-43.7-179.4-163.6-89.6000112.3H46 L47 S52 Q53 Q54H46-H50 PolarHBondContact O-N 3.13Å; L47-H50 PolarHBondContact O-N 2.99Å; H50-S52 VanDerWaalsContact C-N 3.32Å; H50-S52 PolarHBondContact O-N 2.96Å; H50-Q53 PolarHBondContact O-N 3.45Å; H50-Q54 WeakPolarHBondContact O-CG 3.43Å; H50-Q54 PolarHBondContact O-N 3.06Å
51I94Very high91.5Very high85 Ų8596.4 Ų96.444%0.43651%0.507SS..Hα-helixtrans-60.9-42.9175.4-67.8168.5000110.6L47 Q53 Q54 I55L47-I51 HydrophobicContact CD1-CD1 4.29Å; L47-I51 HydrophobicContact CD1-CG1 4.5Å; L47-I51 HydrophobicContact CG-CD1 3.96Å; L47-I51 WeakPolarHBondContact O-CG1 3.23Å; L47-I51 PolarHBondContact O-N 3.33Å; I51-Q53 VanDerWaalsContact C-N 3.32Å; I51-Q53 PolarHBondContact O-N 3.03Å; I51-Q54 PolarHBondContact O-N 3.41Å; I51-I55 HydrophobicContact CG2-CD1 3.76Å; I51-I55 HydrophobicContact CG2-CG1 4.4Å; I51-I55 WeakPolarHBondContact O-CG1 3.39Å; I51-I55 PolarHBondContact O-N 2.99Å
52S92Very high91.2Very high66 Ų6693.9 Ų93.946%0.46250%0.498SS..Hα-helixtrans-62.4-39.4178.6-58.10000112.1Q48 S49 H50 L56Q48-S52 WeakPolarHBondContact O-CB 3.4Å; Q48-S52 PolarHBondContact O-N 2.86Å; Q48-S52 PolarHBondContact O-OG 2.96Å; S49-S52 PolarHBondContact O-N 3.46Å; H50-S52 VanDerWaalsContact C-N 3.32Å; H50-S52 PolarHBondContact O-N 2.96Å; S52-L56 WeakPolarHBondContact O-CB 3.48Å; S52-L56 PolarHBondContact O-N 3.22Å
53Q91.4Very high90.8Very high121 Ų121101 Ų10157%0.56552%0.515SS*.Hα-helixtrans-65.8-41.4175.3-74.5-179.7-23.400112.5S49 H50 I51 L56 H57S49-Q53 WeakPolarHBondContact O-CG 3.29Å; S49-Q53 PolarHBondContact O-N 3.48Å; H50-Q53 PolarHBondContact O-N 3.45Å; I51-Q53 VanDerWaalsContact C-N 3.32Å; I51-Q53 PolarHBondContact O-N 3.03Å; Q53-L56 PolarHBondContact O-N 3.44Å; Q53-H57 WeakPolarHBondContact O-CB 3.16Å; Q53-H57 PolarHBondContact O-N 3.18Å
54Q92.5Very high90.5Very high107 Ų107100.5 Ų100.550%0.551%0.512SS..Hα-helixtrans-65.3-42.8177.9-69.5-67.8-27.700112.1H50 I51 H57 C58H50-Q54 WeakPolarHBondContact O-CG 3.43Å; H50-Q54 PolarHBondContact O-N 3.06Å; I51-Q54 PolarHBondContact O-N 3.41Å; Q54-H57 PolarHBondContact O-N 3.07Å; Q54-C58 WeakPolarHBondContact O-CB 3.45Å; Q54-C58 PolarHBondContact O-N 3.46Å
55I92.4Very high90Very high91 Ų91101.6 Ų101.647%0.46752%0.515SS..Hα-helixtrans-61.4-45.6175-69.5169.6000110.3I51 H57 C58 H59I51-I55 HydrophobicContact CG2-CD1 3.76Å; I51-I55 HydrophobicContact CG2-CG1 4.4Å; I51-I55 WeakPolarHBondContact O-CG1 3.39Å; I51-I55 PolarHBondContact O-N 2.99Å; I55-H57 VanDerWaalsContact C-N 3.35Å; I55-H57 PolarHBondContact O-N 3.04Å; I55-C58 PolarHBondContact O-N 3.28Å; I55-H59 PolarHBondContact O-CD2 3.1Å; I55-H59 PolarHBondContact O-N 3.08Å
56L90.4Very high89.7Confident116 Ų116103.4 Ų103.461%0.60752%0.516SS*.Hα-helixtrans-61.4-44.1177.9-17464.2000111.5S52 Q53 C58 H59 T60S52-L56 WeakPolarHBondContact O-CB 3.48Å; S52-L56 PolarHBondContact O-N 3.22Å; Q53-L56 PolarHBondContact O-N 3.44Å; L56-C58 PolarHBondContact O-N 2.93Å; L56-H59 PolarHBondContact O-N 3.08Å; L56-T60 WeakPolarHBondContact O-CG2 3.23Å; L56-T60 PolarHBondContact O-N 3.14Å; L56-T60 PolarHBondContact O-OG1 3.22Å
57H89.4Confident89.4Confident119 Ų119100.6 Ų100.655%0.55151%0.505SS*.Hα-helixtrans-60-45.9176.9-167.961000111.6Q53 Q54 I55 H59 T60 T61Q53-H57 WeakPolarHBondContact O-CB 3.16Å; Q53-H57 PolarHBondContact O-N 3.18Å; Q54-H57 PolarHBondContact O-N 3.07Å; I55-H57 VanDerWaalsContact C-N 3.35Å; I55-H57 PolarHBondContact O-N 3.04Å; H57-H59 PolarHBondContact O-N 2.92Å; H57-T60 WeakPolarHBondContact CA-OG1 3.37Å; H57-T60 PolarHBondContact O-N 3.43Å; H57-T60 PolarHBondContact O-OG1 3.23Å; H57-T61 WeakPolarHBondContact O-CG2 3.41Å; H57-T61 PolarHBondContact O-N 2.96Å; H57-T61 PolarHBondContact O-OG1 3.21Å
58C88.8Confident88.8Confident79 Ų79100.2 Ų100.253%0.53450%0.503SS..Hα-helixtrans-60.9-42.1175.6-173.70000113Q54 I55 L56 T61 S62Q54-C58 WeakPolarHBondContact O-CB 3.45Å; Q54-C58 PolarHBondContact O-N 3.46Å; I55-C58 PolarHBondContact O-N 3.28Å; L56-C58 PolarHBondContact O-N 2.93Å; C58-T61 PolarHBondContact O-OG1 2.93Å; C58-T61 VanDerWaalsContact O-OG1 3.08Å; C58-S62 VanDerWaalsContact O-CB 3.24Å; C58-S62 WeakPolarHBondContact O-CB 3.44Å; C58-S62 PolarHBondContact O-N 2.95Å
59H88.9Confident88.2Confident115 Ų11598.7 Ų98.753%0.53250%0.502SS..Hα-helixtrans-65.6-38.3175.6-83.5-72.1000112.5I55 L56 H57 R63I55-H59 PolarHBondContact O-CD2 3.1Å; I55-H59 PolarHBondContact O-N 3.08Å; L56-H59 PolarHBondContact O-N 3.08Å; H57-H59 PolarHBondContact O-N 2.92Å; H59-R63 WeakPolarHBondContact O-CB 3.19Å; H59-R63 WeakPolarHBondContact O-CG 3.34Å; H59-R63 PolarHBondContact O-N 3.31Å
60T87.3Confident87.7Confident65 Ų65100.8 Ų100.840%0.39951%0.505SS..Hα-helixtrans-66-47.8176.151.10000111.7L56 H57 S62 R63 E64L56-T60 WeakPolarHBondContact O-CG2 3.23Å; L56-T60 PolarHBondContact O-N 3.14Å; L56-T60 PolarHBondContact O-OG1 3.22Å; H57-T60 WeakPolarHBondContact CA-OG1 3.37Å; H57-T60 PolarHBondContact O-N 3.43Å; H57-T60 PolarHBondContact O-OG1 3.23Å; T60-S62 PolarHBondContact O-N 2.7Å; T60-R63 PolarHBondContact O-N 2.96Å; T60-E64 WeakPolarHBondContact O-CG 3.5Å; T60-E64 PolarHBondContact O-N 2.92Å
61T87.1Confident87.1Confident59 Ų5999.8 Ų99.836%0.36251%0.506SS..Hα-helixtrans-66.2-36.517955.80000112.3H57 C58 R63 E64 L65H57-T61 WeakPolarHBondContact O-CG2 3.41Å; H57-T61 PolarHBondContact O-N 2.96Å; H57-T61 PolarHBondContact O-OG1 3.21Å; C58-T61 PolarHBondContact O-OG1 2.93Å; C58-T61 VanDerWaalsContact O-OG1 3.08Å; T61-R63 VanDerWaalsContact C-N 3.35Å; T61-E64 PolarHBondContact O-N 3.46Å; T61-L65 WeakPolarHBondContact O-CB 3.43Å; T61-L65 WeakPolarHBondContact O-CG 3.35Å; T61-L65 PolarHBondContact O-N 3.04Å
62S88.8Confident86.2Confident47 Ų47101 Ų10133%0.32951%0.513SS..Hα-helixtrans-63.9-38.4173.6-176.50000112.5C58 T60 R66C58-S62 VanDerWaalsContact O-CB 3.24Å; C58-S62 WeakPolarHBondContact O-CB 3.44Å; C58-S62 PolarHBondContact O-N 2.95Å; T60-S62 PolarHBondContact O-N 2.7Å; S62-R66 WeakPolarHBondContact O-CG 3.34Å; S62-R66 PolarHBondContact O-N 3.48Å
63R86.2Confident85.1Confident180 Ų180102.8 Ų102.868%0.67951%0.514SS*.Hα-helixtrans-66-45.9174.7-78.8178.1175.3-177.9-0.5111.6H59 T60 T61 L65 R66 L67H59-R63 WeakPolarHBondContact O-CB 3.19Å; H59-R63 WeakPolarHBondContact O-CG 3.34Å; H59-R63 PolarHBondContact O-N 3.31Å; T60-R63 PolarHBondContact O-N 2.96Å; T61-R63 VanDerWaalsContact C-N 3.35Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 PolarHBondContact O-N 3.19Å; R63-R66 PolarHBondContact O-N 2.96Å; R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 2.73Å
64E84.8Confident83.7Confident120 Ų120100.6 Ų100.656%0.56151%0.51SS*.Hα-helixtrans-57.3-45.8175.2-69.2-64.614700111.6T60 T61 R66 L67 L68T60-E64 WeakPolarHBondContact O-CG 3.5Å; T60-E64 PolarHBondContact O-N 2.92Å; T61-E64 PolarHBondContact O-N 3.46Å; E64-R66 PolarHBondContact O-N 3.34Å; E64-L67 PolarHBondContact O-N 3.01Å; E64-L68 WeakPolarHBondContact O-CG 3.41Å; E64-L68 PolarHBondContact O-N 3.44Å
65L85Confident82.2Confident109 Ų109102.8 Ų102.857%0.57152%0.518SS*.Hα-helixtrans-63.5-38.4177-76.3167.7000113.1T61 R63 L68 T69T61-L65 WeakPolarHBondContact O-CB 3.43Å; T61-L65 WeakPolarHBondContact O-CG 3.35Å; T61-L65 PolarHBondContact O-N 3.04Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 PolarHBondContact O-N 3.19Å; L65-L68 PolarHBondContact O-N 3.32Å; L65-T69 PolarHBondContact O-N 3.03Å; L65-T69 PolarHBondContact O-OG1 3.28Å
66R85.7Confident80.7Confident174 Ų174100.6 Ų100.666%0.65752%0.518SS*.Hα-helixtrans-66-42.8175.6-77.3-177.3-174-174.32.4111.8S62 R63 E64 L68 T69 E70S62-R66 WeakPolarHBondContact O-CG 3.34Å; S62-R66 PolarHBondContact O-N 3.48Å; R63-R66 PolarHBondContact O-N 2.96Å; E64-R66 PolarHBondContact O-N 3.34Å; R66-L68 VanDerWaalsContact C-N 3.35Å; R66-L68 PolarHBondContact O-N 3.37Å; R66-T69 PolarHBondContact O-N 2.98Å; R66-T69 VanDerWaalsContact O-N 3.13Å; R66-E70 WeakPolarHBondContact O-CG 3.19Å; R66-E70 PolarHBondContact O-N 3.35Å
67L83.5Confident79Confident70 Ų70101 Ų10137%0.36651%0.514SS..Hα-helixtrans-62.6-41.3175.8-69.6170000111.7R63 E64 T69 E70 T71 Y327R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 2.73Å; E64-L67 PolarHBondContact O-N 3.01Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3Å; L67-E70 PolarHBondContact O-N 2.76Å; L67-T71 WeakPolarHBondContact O-CB 3.41Å; L67-T71 VanDerWaalsContact O-CG2 3.29Å; L67-T71 WeakPolarHBondContact O-CG2 3.38Å; L67-T71 PolarHBondContact O-N 3.28Å; L67-T71 PolarHBondContact O-OG1 3.41Å; L67-Y327 HydrophobicContact CD2-CE1 4.45Å; L67-Y327 VanDerWaalsContact CD2-OH 3.26Å; L67-Y327 WeakPolarHBondContact CD2-OH 3.42Å
68L83.1Confident77.2Confident97 Ų97102.5 Ų102.551%0.50852%0.521SS..Hα-helixtrans-63-37.5172.7-72.4172.2000112E64 L65 R66 T71 L72E64-L68 WeakPolarHBondContact O-CG 3.41Å; E64-L68 PolarHBondContact O-N 3.44Å; L65-L68 PolarHBondContact O-N 3.32Å; R66-L68 VanDerWaalsContact C-N 3.35Å; R66-L68 PolarHBondContact O-N 3.37Å; L68-T71 WeakPolarHBondContact CA-OG1 3.25Å; L68-T71 PolarHBondContact O-OG1 3.05Å; L68-L72 WeakPolarHBondContact O-CB 3.4Å; L68-L72 WeakPolarHBondContact O-CD1 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.25Å; L68-L72 VanDerWaalsContact O-N 3.11Å
69T80.8Confident75.4Confident94 Ų94108 Ų10858%0.57753%0.531SS*.Hα-helixtrans-69.4-44.6178.2-52.90000111.3L65 R66 L67 T71 L72 E73L65-T69 PolarHBondContact O-N 3.03Å; L65-T69 PolarHBondContact O-OG1 3.28Å; R66-T69 PolarHBondContact O-N 2.98Å; R66-T69 VanDerWaalsContact O-N 3.13Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3Å; T69-T71 VanDerWaalsContact C-N 3.34Å; T69-T71 PolarHBondContact O-N 3.03Å; T69-L72 PolarHBondContact O-N 3.34Å; T69-E73 PolarHBondContact O-N 3.44Å
70E78.8Confident73.5Confident109 Ų109106.3 Ų106.351%0.50953%0.532SS..Hα-helixtrans-65.7-34.5177.8-74.3-178.5-177.700112.6R66 L67 P74 Y327R66-E70 WeakPolarHBondContact O-CG 3.19Å; R66-E70 PolarHBondContact O-N 3.35Å; L67-E70 PolarHBondContact O-N 2.76Å; E70-P74 WeakPolarHBondContact O-CD 3.23Å; E70-Y327 PolarHBondContact OE2-OH 3.33Å
71T77.2Confident71.6Confident73 Ų73114.2 Ų114.245%0.44856%0.555SS.*Hα-helixtrans-74.8-30.9176.650.90000112.3L67 L68 T69 P74 F75L67-T71 WeakPolarHBondContact O-CB 3.41Å; L67-T71 VanDerWaalsContact O-CG2 3.29Å; L67-T71 WeakPolarHBondContact O-CG2 3.38Å; L67-T71 PolarHBondContact O-N 3.28Å; L67-T71 PolarHBondContact O-OG1 3.41Å; L68-T71 WeakPolarHBondContact CA-OG1 3.25Å; L68-T71 PolarHBondContact O-OG1 3.05Å; T69-T71 VanDerWaalsContact C-N 3.34Å; T69-T71 PolarHBondContact O-N 3.03Å; T71-P74 WeakPolarHBondContact O-CD 3.47Å; T71-F75 VanDerWaalsContact O-CD2 3.23Å; T71-F75 WeakPolarHBondContact O-CD2 3.39Å
72L75.5Confident69.6Low111 Ų111118.1 Ų118.158%0.58157%0.574SS**Hα-helixtrans-84-25.4178.7-70.1171.7000114L68 T69 F75 G76L68-L72 WeakPolarHBondContact O-CB 3.4Å; L68-L72 WeakPolarHBondContact O-CD1 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.25Å; L68-L72 VanDerWaalsContact O-N 3.11Å; T69-L72 PolarHBondContact O-N 3.34Å; L72-F75 PolarHBondContact O-N 3.36Å; L72-F75 VanDerWaalsContact O-N 3.15Å; L72-G76 PolarHBondContact O-N 2.98Å
73E69.5Low67.3Low103 Ų103121.5 Ų121.548%0.48158%0.582SS.*Hα-helixtrans-57.1-44.1179.4-139.9-162154.500114.3T69 G76 K77T69-E73 PolarHBondContact O-N 3.44Å; E73-G76 PolarHBondContact O-N 3.05Å; E73-K77 PolarHBondContact O-N 3.46Å; E73-K77 VanDerWaalsContact OE1-CE 3.32Å; E73-K77 WeakPolarHBondContact OE1-CE 3.4Å; E73-K77 IonicContact OE1-NZ 2.66Å; E73-K77 PolarHBondContact OE1-NZ 2.91Å
74P61.4Low65.3Low75 Ų75119.5 Ų119.549%0.48758%0.575SS.*Hα-helixtrans-65-37.9174.4-7.414.2000112.1E70 T71 K77 H78E70-P74 WeakPolarHBondContact O-CD 3.23Å; T71-P74 WeakPolarHBondContact O-CD 3.47Å; P74-K77 PolarHBondContact O-N 2.93Å; P74-H78 WeakPolarHBondContact O-CB 3.14Å; P74-H78 PolarHBondContact O-N 3.21Å
75F61.2Low63.5Low153 Ų153115.8 Ų115.867%0.67156%0.562SS**Hα-helixtrans-64.3-41.5175.6-76.1-77.4000110.9T71 L72 W79T71-F75 VanDerWaalsContact O-CD2 3.23Å; T71-F75 WeakPolarHBondContact O-CD2 3.39Å; L72-F75 PolarHBondContact O-N 3.36Å; L72-F75 VanDerWaalsContact O-N 3.15Å; F75-W79 WeakPolarHBondContact O-CB 3.47Å; F75-W79 PolarHBondContact O-N 3.49Å
76G61.1Low61.4Low45 Ų45119.5 Ų119.546%0.46457%0.568SS.*Hα-helixtrans-62.9-43.9175.500000113.4L72 E73 S80L72-G76 PolarHBondContact O-N 2.98Å; E73-G76 PolarHBondContact O-N 3.05Å; G76-S80 WeakPolarHBondContact O-CB 3.43Å; G76-S80 PolarHBondContact O-N 2.91Å
77K55.3Low59.3Low123 Ų123115.8 Ų115.854%0.53556%0.561SS.*Hα-helixtrans-73.6-34.3179.2-72.2177.2-173.4166.10112.9E73 P74 S80 R81E73-K77 PolarHBondContact O-N 3.46Å; E73-K77 VanDerWaalsContact OE1-CE 3.32Å; E73-K77 WeakPolarHBondContact OE1-CE 3.4Å; E73-K77 IonicContact OE1-NZ 2.66Å; E73-K77 PolarHBondContact OE1-NZ 2.91Å; P74-K77 PolarHBondContact O-N 2.93Å; K77-S80 PolarHBondContact O-N 2.85Å; K77-R81 PolarHBondContact O-N 3.37Å
78H50.9Low57.6Low151 Ų151121.8 Ų121.870%0.69959%0.585SS**Hα-helixtrans-73.2-36.2175.6-156.779.1000111.6P74 S80P74-H78 WeakPolarHBondContact O-CB 3.14Å; P74-H78 PolarHBondContact O-N 3.21Å; H78-S80 VanDerWaalsContact C-N 3.33Å
79W52Low55.8Low196 Ų196119.9 Ų119.974%0.74259%0.588SS**Hα-helixtrans-77.3-17.6174.1-142.173.3000113F75 K83F75-W79 WeakPolarHBondContact O-CB 3.47Å; F75-W79 PolarHBondContact O-N 3.49Å; W79-K83 WeakPolarHBondContact O-CE 3.37Å; W79-K83 VanDerWaalsContact O-CG 3.24Å; W79-K83 WeakPolarHBondContact O-CG 3.36Å
80S49Very low54.2Low79 Ų79122.5 Ų122.555%0.55259%0.592SS**Hα-helixtrans-88.4-30.5174.6-175.10000114G76 K77 H78 N82G76-S80 WeakPolarHBondContact O-CB 3.43Å; G76-S80 PolarHBondContact O-N 2.91Å; K77-S80 PolarHBondContact O-N 2.85Å; H78-S80 VanDerWaalsContact C-N 3.33Å; S80-N82 VanDerWaalsContact C-N 3.32Å; S80-N82 PolarHBondContact O-N 3.36Å
81R47.6Very low52.7Low230 Ų230124.8 Ų124.887%0.86860%0.596SS**Hα-helixtrans-80-10.4-178.1-91.4180164.8165.6-4.4114.7K77K77-R81 PolarHBondContact O-N 3.37Å
82N43.8Very low51.4Low142 Ų142127.3 Ų127.376%0.75960%0.601SS**THydrogen-bonded Turntrans-113.815.9176.2-111.10.8000113.5S80 R84S80-N82 VanDerWaalsContact C-N 3.32Å; S80-N82 PolarHBondContact O-N 3.36Å; N82-R84 VanDerWaalsContact C-N 3.29Å; N82-R84 PolarHBondContact O-N 3.46Å
83K41.6Very low50.2Low117 Ų117126.6 Ų126.651%0.50960%0.597SS.*  trans-77.886170-65.6-164.6-178.6-178.40109.3W79 S85W79-K83 WeakPolarHBondContact O-CE 3.37Å; W79-K83 VanDerWaalsContact O-CG 3.24Å; W79-K83 WeakPolarHBondContact O-CG 3.36Å; K83-S85 PolarHBondContact O-N 2.97Å; K83-S85 VanDerWaalsContact O-N 3.15Å
84R43.5Very low49.3Very low139 Ų139127.2 Ų127.253%0.52560%0.604SS.*  trans-63109.8142-61.5-178.3179-141.4-5.1105.9N82 W86 W91N82-R84 VanDerWaalsContact C-N 3.29Å; N82-R84 PolarHBondContact O-N 3.46Å; R84-W86 PolarHBondContact O-N 3.44Å; R84-W86 VanDerWaalsContact O-N 3.09Å; R84-W91 HydrophobicContact CB-CD2 4.35Å; R84-W91 HydrophobicContact CB-CE3 3.22Å; R84-W91 HydrophobicContact CB-CZ3 3.34Å; R84-W91 VanDerWaalsContact CD-CZ3 3.43Å; R84-W91 HydrophobicContact CG-CE3 3.87Å; R84-W91 HydrophobicContact CG-CZ3 4.02Å
85S48.1Very low48.7Very low41 Ų41134 Ų13429%0.28762%0.62SS.*  trans-66.8109.8175.748.40000108K83 L87K83-S85 PolarHBondContact O-N 2.97Å; K83-S85 VanDerWaalsContact O-N 3.15Å; S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 2.84Å; S85-L87 VanDerWaalsContact O-N 3.12Å
86W39.8Very low47.7Very low187 Ų187129.5 Ų129.571%0.70862%0.617SS**EExtended strand (participates in β ladder)trans-80.488.2172.9-163.187.4000107.3R84R84-W86 PolarHBondContact O-N 3.44Å; R84-W86 VanDerWaalsContact O-N 3.09Å
87L41.7Very low46.9Very low97 Ų97134.9 Ų134.951%0.50863%0.633SS.*EExtended strand (participates in β ladder)trans-121.6124175.8-89.4155000107.5S85 G89S85-L87 VanDerWaalsContact C-N 3.34Å; S85-L87 PolarHBondContact O-N 2.84Å; S85-L87 VanDerWaalsContact O-N 3.12Å; L87-G89 PolarHBondContact O-N 3.21Å
88F46.8Very low46.2Very low196 Ų196134.6 Ų134.686%0.8664%0.642SS**THydrogen-bonded Turntrans58.840.1174.9-52.2-75.4000115.9K90F88-K90 PolarHBondContact O-N 2.91Å
89G46.7Very low45.6Very low57 Ų57134.3 Ų134.359%0.58865%0.645SS**THydrogen-bonded Turntrans68.917.2170.500000115.3L87L87-G89 PolarHBondContact O-N 3.21Å
90K46.8Very low45.1Very low148 Ų148133.6 Ų133.664%0.64365%0.65SS**EExtended strand (participates in β ladder)trans-131.7145173.4-94.7-179.7174.2178.70111F88 F92F88-K90 PolarHBondContact O-N 2.91Å; K90-F92 HydrophobicContact CB-CE2 4.27Å
91W46.8Very low44.6Very low158 Ų158137 Ų13760%0.59866%0.662SS**EExtended strand (participates in β ladder)trans-80.1127.1168.4-62.1108.6000109.1R84R84-W91 HydrophobicContact CB-CD2 4.35Å; R84-W91 HydrophobicContact CB-CE3 3.22Å; R84-W91 HydrophobicContact CB-CZ3 3.34Å; R84-W91 VanDerWaalsContact CD-CZ3 3.43Å; R84-W91 HydrophobicContact CG-CE3 3.87Å; R84-W91 HydrophobicContact CG-CZ3 4.02Å
92F50.5Low44.2Very low126 Ų126134.5 Ų134.555%0.55367%0.665SS**  trans-107.2134.2170.4-85.4-92.8000110.4K90K90-F92 HydrophobicContact CB-CE2 4.27Å
93D50.9Low44Very low95 Ų95133.1 Ų133.151%0.50866%0.664SS.*  trans-93120.3172.7-95.211.3000108.9R95D93-R95 PolarHBondContact O-N 2.76Å; D93-R95 IonicContact OD2-CZ 3.78Å; D93-R95 IonicContact OD2-NE 3.81Å; D93-R95 IonicContact OD2-NH2 2.87Å; D93-R95 PolarHBondContact OD2-NH2 3.06Å
94D50.2Low43.6Very low117 Ų117135.2 Ų135.263%0.62668%0.68SS**  trans-75.836.6-178.7-79-25.9000114.4
95R47.5Very low43.4Very low217 Ų217133.6 Ų133.682%0.81970%0.697SS**  trans-93.822.4179-78.5-173.7-76.8179.1-3.6114.7D93D93-R95 PolarHBondContact O-N 2.76Å; D93-R95 IonicContact OD2-CZ 3.78Å; D93-R95 IonicContact OD2-NE 3.81Å; D93-R95 IonicContact OD2-NH2 2.87Å; D93-R95 PolarHBondContact OD2-NH2 3.06Å
96G41.5Very low42.8Very low58 Ų58136.4 Ų136.460%0.59871%0.713SS**  trans-126.43.9-170.800000117.8T98G96-T98 VanDerWaalsContact C-N 3.33Å; G96-T98 PolarHBondContact O-N 2.78Å
97I43.8Very low42.6Very low159 Ų159138.3 Ų138.382%0.81572%0.721SS**  trans-94.566.9-178.2-46.5-179.6000110
98T41.1Very low42.3Very low116 Ų116137.5 Ų137.571%0.71274%0.736SS**SBendtrans-112.8117.7157.249.50000107.4G96G96-T98 VanDerWaalsContact C-N 3.33Å; G96-T98 PolarHBondContact O-N 2.78Å
99N38.3Very low41.6Very low145 Ų145135 Ų13578%0.77574%0.738SS**  trans51.3109.6159.1-60.9-33.1000116.9
100H41.1Very low41.2Very low181 Ų181136.7 Ų136.784%0.83875%0.745SS**  trans-176.2110.1133.6-89.7-56.6000109.8
101N37.9Very low40.9Very low152 Ų152133.6 Ų133.681%0.81375%0.748SS**  trans165.7113.7132.6-85.4-24.1000109.6
102L40.8Very low40.6Very low176 Ų176133.9 Ų133.992%0.92176%0.761SS**  -177.8145.5119.3-88.6148.3000109.8
103P39.2Very low39.9Very low113 Ų113132.5 Ų132.573%0.73477%0.773SS**  trans-96157.3-149.436.9-35.8000115.7
104N32Very low39.3Very low161 Ų161137.1 Ų137.186%0.86179%0.792SS**  trans-2.8119.9158.2-87-9.1000118.5
105A40.2Very low38.8Very low105 Ų105141.4 Ų141.487%0.86881%0.805SS**  trans-136118.1141.300000109
106T35.6Very low38.6Very low101 Ų101136.2 Ų136.262%0.6280%0.799SS**  trans-65.3150.6-173.635.60000115.7
107Y34.4Very low38.6Very low227 Ų227139.9 Ų139.989%0.8981%0.805SS**  trans135.5116.8130.1-76.8-71.6000112.8
108G37.3Very low38.8Very low80 Ų80140 Ų14083%0.82580%0.802SS**  trans155.167.8171.100000113.4
109T32.1Very low39.1Very low144 Ų144139.4 Ų139.488%0.88380%0.798SS**  trans-73.4123.3171.847.10000111.4
110A38.1Very low39.4Very low91 Ų91136 Ų13675%0.75279%0.791SS**  trans-171.799149.100000106.4
111A40.8Very low39.3Very low84 Ų84135.2 Ų135.269%0.69479%0.785SS**  69.6102.29300000111.7
112D40.5Very low39.7Very low163 Ų163131.7 Ų131.787%0.87277%0.769SS**  trans72.6101.6143-49.3-36.5000119
113A34.9Very low39.9Very low98 Ų98130.6 Ų130.681%0.8176%0.759SS**  trans-47.2128.3162.500000114.2
114E37.6Very low40.1Very low192 Ų192128.9 Ų128.990%0.89775%0.749SS**  -173.1111.7128.8-131.9163.8145.600109.9
115K40.3Very low40.9Very low207 Ų207126.8 Ų126.890%0.974%0.737SS**  trans-160.2152.7164.2-106.3-170.1-175.8173.50110.3
116P44.3Very low41.2Very low107 Ų107130.5 Ų130.570%0.69573%0.73SS**  -109.8168.1-122.132.5-17.5000113.3E118P116-E118 PolarHBondContact O-N 3.21Å
117D40.5Very low41.9Very low136 Ų136133.8 Ų133.873%0.72774%0.738SS**  trans-25.293.4168.9-164.36.3000115.2T119D117-T119 PolarHBondContact OD1-OG1 3.45Å
118E47.1Very low42.8Very low160 Ų160129.9 Ų129.975%0.74873%0.733SS**  trans-104.74.8174.8-149.3168.6-165.300111.5P116 A120P116-E118 PolarHBondContact O-N 3.21Å; E118-A120 PolarHBondContact O-N 2.72Å
119T47.5Very low43.8Very low104 Ų104127.5 Ų127.564%0.63870%0.702SS**THydrogen-bonded Turntrans-78.3-17-172.580000114.6D117 T122D117-T119 PolarHBondContact OD1-OG1 3.45Å; T119-T122 PolarHBondContact O-OG1 2.66Å
120A45.3Very low45.1Very low75 Ų75121.8 Ų121.862%0.6267%0.668SS**THydrogen-bonded Turntrans-90.8-11.3179.400000114.4E118E118-A120 PolarHBondContact O-N 2.72Å
121K40Very low46.4Very low164 Ų164123 Ų12371%0.71365%0.654SS**SBendtrans-87.3-19178.4-78.9-178.9179.2174.10113.4S124K121-S124 PolarHBondContact O-OG 2.98Å
122T45.2Very low47.8Very low77 Ų77120 Ų12047%0.47263%0.628SS.*SBendtrans-77.3-20.4-179.75.40000113.6T119T119-T122 PolarHBondContact O-OG1 2.66Å
123E44.5Very low49.3Very low154 Ų154115.9 Ų115.972%0.7261%0.608SS**SBendtrans-79.1-24.1179.2-69.5-170.3151.600113.4I125E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 3.32Å
124S44.7Very low51.1Low76 Ų76113 Ų11353%0.53158%0.579SS.*THydrogen-bonded Turntrans-73.3-16.1175.175.10000114.2K121K121-S124 PolarHBondContact O-OG 2.98Å
125I47.5Very low53.1Low118 Ų118108.4 Ų108.461%0.60556%0.557SS**THydrogen-bonded Turntrans-79.3-24.6-178-58.3175.8000110.6E123E123-I125 VanDerWaalsContact C-N 3.26Å; E123-I125 PolarHBondContact O-N 3.32Å
126Y46.6Very low54.9Low182 Ų182103.1 Ų103.171%0.71454%0.536SS*.THydrogen-bonded Turntrans-88.7-19.5-178.8-81.6-84.6000114.3N128 T129Y126-N128 VanDerWaalsContact C-N 3.32Å; Y126-N128 PolarHBondContact O-N 2.98Å; Y126-T129 PolarHBondContact O-N 2.91Å; Y126-T129 PolarHBondContact O-OG1 3.24Å
127E50.8Low56.7Low170 Ų17098.4 Ų98.479%0.79451%0.507SS*.THydrogen-bonded Turntrans-74.2-17.6176.3-79.3-171.7146.400114.1T129E127-T129 VanDerWaalsContact C-N 3.33Å
128N53.5Low58.7Low146 Ų14697.2 Ų97.278%0.78150%0.499SS*.THydrogen-bonded Turntrans-92.114.5176.8-84.64.1000114Y126 C130Y126-N128 VanDerWaalsContact C-N 3.32Å; Y126-N128 PolarHBondContact O-N 2.98Å; N128-C130 PolarHBondContact O-N 3.32Å
129T58.9Low60.2Low29 Ų2990.6 Ų90.618%0.17847%0.472CS..  trans-7599.3178.6-46.30000110.2Y126 E127 Y131 P319Y126-T129 PolarHBondContact O-N 2.91Å; Y126-T129 PolarHBondContact O-OG1 3.24Å; E127-T129 VanDerWaalsContact C-N 3.33Å; T129-Y131 HydrophobicContact CG2-CE1 4.29Å; T129-Y131 HydrophobicContact CG2-CE2 4.01Å; T129-Y131 VanDerWaalsContact O-CD2 3.28Å; T129-Y131 WeakPolarHBondContact O-CD2 3.36Å; T129-Y131 WeakPolarHBondContact O-CE2 3.26Å; T129-Y131 PolarHBondContact O-N 2.83Å; T129-P319 HydrophobicContact CG2-CG 3.79Å
130C59.5Low61.7Low24 Ų2485.7 Ų85.716%0.16244%0.442CS..  trans-70.8121171.1137.20000109.9N128 C132 C180 C183 C318N128-C130 PolarHBondContact O-N 3.32Å; C130-C132 VanDerWaalsContact C-SG 3.52Å; C130-C132 WeakPolarHBondContact CB-SG 3.45Å; C130-C132 WeakPolarHBondContact SG-CB 3.27Å; C130-C132 CovalentContact SG-SG 2.05Å; C130-C132 PolarHBondContact SG-SG 3.44Å; C130-C180 HydrophobicContact CB-CB 3.77Å; C130-C180 WeakPolarHBondContact SG-CB 3.35Å; C130-C180 PolarHBondContact SG-SG 3.32Å; C130-C183 PolarHBondContact SG-SG 2.94Å; C130-C318 PolarHBondContact O-SG 2.97Å; C130-C318 PolarHBondContact SG-SG 2.68Å
131Y65.4Low63.6Low118 Ų11888.1 Ų88.146%0.46344%0.441SS..  trans-99.298170.1-64.9-84.7000108.2T129 S172 V175T129-Y131 HydrophobicContact CG2-CE1 4.29Å; T129-Y131 HydrophobicContact CG2-CE2 4.01Å; T129-Y131 VanDerWaalsContact O-CD2 3.28Å; T129-Y131 WeakPolarHBondContact O-CD2 3.36Å; T129-Y131 WeakPolarHBondContact O-CE2 3.26Å; T129-Y131 PolarHBondContact O-N 2.83Å; Y131-S172 WeakPolarHBondContact O-CB 3.4Å; Y131-S172 PolarHBondContact O-N 3.03Å; Y131-V175 HydrophobicContact CD2-CG2 3.84Å; Y131-V175 HydrophobicContact CE2-CG2 4.45Å
132C69Low65.7Low21 Ų2182.1 Ų82.114%0.14242%0.419CS..EExtended strand (participates in β ladder)trans-130127.6-166.2-51.30000108.3C130 V169 C180C130-C132 VanDerWaalsContact C-SG 3.52Å; C130-C132 WeakPolarHBondContact CB-SG 3.45Å; C130-C132 WeakPolarHBondContact SG-CB 3.27Å; C130-C132 CovalentContact SG-SG 2.05Å; C130-C132 PolarHBondContact SG-SG 3.44Å; C132-V169 HydrophobicContact CB-CG1 4.1Å; C132-C180 PolarHBondContact SG-SG 3.37Å
133T72.3Confident67.3Low76 Ų7678.5 Ų78.547%0.46640%0.397SS..EExtended strand (participates in β ladder)trans-99.8119.2-177.2-55.40000109.4Q135 V170T133-Q135 PolarHBondContact O-N 3.32Å; T133-V170 PolarHBondContact N-O 3.5Å; T133-V170 PolarHBondContact O-N 3.02Å
134M73.5Confident69.3Low38 Ų3877.6 Ų77.619%0.18739%0.392CS..EExtended strand (participates in β ladder)trans-82.1111.1176.1-50.8-43.5-57.100109.4V169 P312 G313 C315M134-V169 HydrophobicContact CE-CB 4.13Å; M134-V169 HydrophobicContact CE-CG1 4.33Å; M134-V169 HydrophobicContact CE-CG2 3.38Å; M134-V169 HydrophobicContact SD-CG1 4.16Å; M134-V169 HydrophobicContact SD-CG2 4.26Å; M134-P312 HydrophobicContact CB-CB 4.07Å; M134-G313 VanDerWaalsContact CE-O 3.24Å; M134-G313 WeakPolarHBondContact CE-O 3.45Å; M134-G313 WeakPolarHBondContact CG-O 3.42Å; M134-C315 HydrophobicContact SD-CB 4.31Å
135Q78.1Confident71.2Confident94 Ų9476 Ų7644%0.43938%0.38SS..  trans-91.5136.1173.2-70-174.3-9.500109.9T133 G167 N168 V170T133-Q135 PolarHBondContact O-N 3.32Å; Q135-G167 CarbonylContact O-C 3.47Å; Q135-G167 VanDerWaalsContact O-CA 3.22Å; Q135-G167 WeakPolarHBondContact O-CA 3.29Å; Q135-N168 HydrophobicContact CB-CB 4.46Å; Q135-N168 PolarHBondContact N-O 3.47Å; Q135-N168 PolarHBondContact O-N 2.89Å; Q135-N168 VanDerWaalsContact O-N 3.13Å; Q135-V170 HydrophobicContact CG-CG2 4.13Å
136Q79.5Confident72.7Confident97 Ų9770.5 Ų70.545%0.45335%0.352SS..  trans-65.2144.2171.3-159.3179.67.700109.2T309 G310 P312Q136-T309 HydrophobicContact CG-CG2 3.57Å; Q136-G310 VanDerWaalsContact CG-O 3.24Å; Q136-G310 WeakPolarHBondContact CG-O 3.32Å; Q136-P312 HydrophobicContact CB-CG 4.26Å; Q136-P312 HydrophobicContact CG-CG 4.18Å
137G80.4Confident74.3Confident8 Ų866 Ų668%0.08234%0.34CS..  trans-63.3-178.8175.900000112.2Q165 P166 T309 G310G137-Q165 WeakPolarHBondContact CA-O 3.48Å; G137-P166 WeakPolarHBondContact CA-O 3.47Å; G137-T309 VanDerWaalsContact C-CG2 3.46Å; G137-T309 WeakPolarHBondContact O-CG2 2.79Å; G137-G310 PolarHBondContact N-O 3.4Å; G137-G310 VanDerWaalsContact N-O 3.15Å
138L82.6Confident75.7Confident110 Ų11060.8 Ų60.858%0.57632%0.318SS*.PPolyproline II helixtrans-95.6141.7168.5-68.5178.9000110.2G164 Q165L138-G164 CarbonylContact O-C 3.51Å; L138-G164 VanDerWaalsContact O-C 3.29Å; L138-G164 WeakPolarHBondContact O-CA 3.27Å; L138-Q165 HydrophobicContact CB-CB 4.26Å; L138-Q165 HydrophobicContact CB-CG 4.4Å; L138-Q165 PolarHBondContact O-N 3.28Å
139A79.9Confident76.4Confident21 Ų2153.9 Ų53.917%0.17428%0.281CS..PPolyproline II helixtrans-64.5138.3175.900000112.3K306 G307A139-K306 HydrophobicContact CB-CD 3.81Å; A139-K306 HydrophobicContact CB-CG 4.24Å; A139-K306 VanDerWaalsContact O-CE 3.32Å; A139-K306 WeakPolarHBondContact O-CE 3.07Å; A139-G307 VanDerWaalsContact CB-O 3.31Å; A139-G307 WeakPolarHBondContact CB-O 3.3Å
140G79.4Confident77.1Confident1 Ų158.9 Ų58.91%0.0130%0.3CS..PPolyproline II helixtrans-64.4148.4-176.300000113.1L162 G164 K306 G307G140-L162 CarbonylContact C-O 3.29Å; G140-L162 WeakPolarHBondContact CA-O 3.46Å; G140-G164 VanDerWaalsContact CA-CA 3.42Å; G140-G164 VanDerWaalsContact N-CA 3.29Å; G140-K306 WeakPolarHBondContact O-CG 3.33Å; G140-G307 PolarHBondContact N-O 2.95Å; G140-G307 PolarHBondContact O-N 3.5Å
141Q84.9Confident77.6Confident126 Ų12661.9 Ų61.959%0.58932%0.315SS*.PPolyproline II helixtrans-72.6144-177.7-66-175.1-2.900111.6G161 L162Q141-G161 CarbonylContact O-C 3.35Å; Q141-G161 WeakPolarHBondContact O-CA 3.45Å; Q141-L162 HydrophobicContact CB-CB 4.25Å; Q141-L162 PolarHBondContact N-O 3.43Å; Q141-L162 VanDerWaalsContact N-O 3.16Å; Q141-L162 PolarHBondContact O-N 3.44Å
142P82.6Confident77.6Confident39 Ų3956.5 Ų56.525%0.25330%0.295SS..PPolyproline II helixtrans-65.5148.7174.1-9.322000112.2Q303 G304 K306P142-Q303 HydrophobicContact CB-CG 4.17Å; P142-G304 VanDerWaalsContact CB-O 3.23Å; P142-G304 WeakPolarHBondContact CB-O 3.45Å; P142-K306 HydrophobicContact CG-CB 4.04Å; P142-K306 HydrophobicContact CG-CG 4.36Å
143G79.8Confident77.7Confident1 Ų162.1 Ų62.11%0.0132%0.32CS..PPolyproline II helixtrans-64145.5172.500000112.6T159 G161 N193 Q303 G304G143-T159 WeakPolarHBondContact CA-O 3.5Å; G143-G161 VanDerWaalsContact N-CA 3.34Å; G143-N193 WeakPolarHBondContact CA-O 3.48Å; G143-N193 PolarHBondContact N-O 2.96Å; G143-Q303 WeakPolarHBondContact O-CG 3.28Å; G143-G304 PolarHBondContact O-N 3.41Å
144Q86.2Confident77.8Confident135 Ų13563 Ų6363%0.63132%0.322SS*.PPolyproline II helixtrans-74145178.4-64.7-175.9-3.300110.6G158 T159 G195Q144-G158 CarbonylContact O-C 3.45Å; Q144-G158 WeakPolarHBondContact O-CA 3.36Å; Q144-T159 WeakPolarHBondContact CB-OG1 3.49Å; Q144-T159 PolarHBondContact N-OG1 2.97Å; Q144-T159 PolarHBondContact O-N 3.35Å; Q144-T159 VanDerWaalsContact O-N 3.08Å; Q144-G195 WeakPolarHBondContact O-CA 3.27Å
145P83.9Confident77.6Confident43 Ų4361.3 Ų61.328%0.27931%0.314SS..PPolyproline II helixtrans-60.2149.2177.4-8.917.2000113.1R300 G301 Q303P145-R300 HydrophobicContact CB-CG 4.07Å; P145-G301 VanDerWaalsContact CB-O 3.23Å; P145-G301 WeakPolarHBondContact CB-O 3.41Å; P145-Q303 HydrophobicContact CG-CB 3.98Å
146G79.7Confident77.7Confident1 Ų162.8 Ų62.81%0.0132%0.321CS..PPolyproline II helixtrans-66.4154.5174.600000113.6E156 G158 R196 R300 G301G146-E156 CarbonylContact C-O 3.58Å; G146-E156 WeakPolarHBondContact CA-O 3.39Å; G146-G158 VanDerWaalsContact CA-CA 3.49Å; G146-R196 PolarHBondContact N-O 3.26Å; G146-R196 VanDerWaalsContact N-O 3.14Å; G146-R300 WeakPolarHBondContact O-CG 3.3Å; G146-G301 PolarHBondContact O-N 3.29Å
147L80.2Confident77.8Confident89 Ų8962.6 Ų62.647%0.46633%0.327SS..PPolyproline II helixtrans-69.5160.1175.6-61.1-177.6000111.5G155 E156L147-G155 VanDerWaalsContact O-CA 3.29Å; L147-G155 WeakPolarHBondContact O-CA 3.19Å; L147-E156 HydrophobicContact CB-CB 4.21Å; L147-E156 PolarHBondContact N-O 2.72Å; L147-E156 PolarHBondContact O-N 3.24Å
148D80.2Confident77.8Confident60 Ų6062.8 Ų62.832%0.32133%0.329SS..PPolyproline II helixtrans-72.6142.2176.750.2-14.9000112.3P297 G298D148-P297 HydrophobicContact CB-CB 4.42Å; D148-P297 WeakPolarHBondContact OD2-CB 3.35Å; D148-G298 WeakPolarHBondContact CB-O 3.18Å
149G68.6Low77.9Confident1 Ų161 Ų611%0.0132%0.324CS..PPolyproline II helixtrans-76.7137172.700000111.5E153 G155 G201 G298G149-E153 CarbonylContact C-O 3.55Å; G149-E153 VanDerWaalsContact CA-O 3.25Å; G149-E153 WeakPolarHBondContact CA-O 3.23Å; G149-G155 VanDerWaalsContact N-CA 3.35Å; G149-G201 WeakPolarHBondContact O-CA 3.37Å; G149-G298 PolarHBondContact O-N 3.45Å
150K73.3Confident78Confident134 Ų13463.8 Ų63.858%0.58334%0.341SS*.  trans-106144.6-179.9-63.1177.4-175.9171.40110.6G152 E153K150-G152 VanDerWaalsContact C-N 3.29Å; K150-G152 PolarHBondContact O-N 3.43Å; K150-E153 WeakPolarHBondContact O-CA 3.32Å; K150-E153 VanDerWaalsContact O-CB 3.28Å; K150-E153 WeakPolarHBondContact O-CB 3.22Å; K150-E153 PolarHBondContact O-N 3.49Å
151D70.2Confident78.1Confident86 Ų8664 Ų6446%0.4634%0.344SS..THydrogen-bonded Turntrans5330.8168.4-66.7-15.2000117.8A294 G295D151-A294 WeakPolarHBondContact OD1-CA 3.35Å; D151-A294 WeakPolarHBondContact OD1-CB 3.38Å; D151-G295 WeakPolarHBondContact OD1-CA 3.27Å; D151-G295 PolarHBondContact OD1-N 3.3Å
152G64.5Low78Confident6 Ų662.9 Ų62.96%0.06234%0.341CS..THydrogen-bonded Turntrans83.219-173.900000113.3K150 R200 G201 P202K150-G152 VanDerWaalsContact C-N 3.29Å; K150-G152 PolarHBondContact O-N 3.43Å; G152-R200 PolarHBondContact O-NE 2.62Å; G152-R200 PolarHBondContact O-NH2 2.98Å; G152-G201 WeakPolarHBondContact CA-O 3.39Å; G152-G201 PolarHBondContact N-O 2.97Å; G152-P202 PolarHBondContact N-O 3.2Å
153E71.9Confident77.8Confident139 Ų13963.7 Ų63.765%0.6535%0.347SS*.PPolyproline II helixtrans-98.6154164-59.1-175.1156.200109.7G149 K150 R200 G201G149-E153 CarbonylContact C-O 3.55Å; G149-E153 VanDerWaalsContact CA-O 3.25Å; G149-E153 WeakPolarHBondContact CA-O 3.23Å; K150-E153 WeakPolarHBondContact O-CA 3.32Å; K150-E153 VanDerWaalsContact O-CB 3.28Å; K150-E153 WeakPolarHBondContact O-CB 3.22Å; K150-E153 PolarHBondContact O-N 3.49Å; E153-R200 WeakPolarHBondContact O-CG 3.38Å; E153-G201 PolarHBondContact O-N 2.97Å
154D73.6Confident77.8Confident95 Ų9563.8 Ų63.851%0.50835%0.347SS..PPolyproline II helixtrans-74.2147.4175.7-62.1-18.4000110.1K197 R200D154-K197 IonicContact OD2-NZ 3.85Å; D154-R200 VanDerWaalsContact OD1-CB 3.27Å; D154-R200 WeakPolarHBondContact OD1-CB 3.39Å; D154-R200 WeakPolarHBondContact OD1-CD 3.16Å; D154-R200 VanDerWaalsContact OD1-CG 3.25Å; D154-R200 WeakPolarHBondContact OD1-CG 3.48Å
155G70.6Confident77.6Confident2 Ų263 Ų632%0.02134%0.344CS..PPolyproline II helixtrans-62.6168.6176.500000113.7L147 G149 K197L147-G155 VanDerWaalsContact O-CA 3.29Å; L147-G155 WeakPolarHBondContact O-CA 3.19Å; G149-G155 VanDerWaalsContact N-CA 3.35Å; G155-K197 WeakPolarHBondContact O-CD 3.37Å; G155-K197 WeakPolarHBondContact O-CE 3.3Å; G155-K197 WeakPolarHBondContact O-CG 3.35Å; G155-K197 PolarHBondContact O-NZ 3.01Å
156E79.7Confident77.4Confident125 Ų12563.6 Ų63.658%0.58435%0.347SS*.PPolyproline II helixtrans-80.1145.2172.1-64.4-169.8153.100110.6G146 L147G146-E156 CarbonylContact C-O 3.58Å; G146-E156 WeakPolarHBondContact CA-O 3.39Å; L147-E156 HydrophobicContact CB-CB 4.21Å; L147-E156 PolarHBondContact N-O 2.72Å; L147-E156 PolarHBondContact O-N 3.24Å
157P80.6Confident77.4Confident92 Ų9263.5 Ų63.560%0.59735%0.347SS*.PPolyproline II helixtrans-56.8150.5170.3-21.533.3000112.2K197P157-K197 HydrophobicContact CG-CD 4.19Å
158G82Confident77.3Confident12 Ų1262.8 Ų62.812%0.12434%0.343CS..PPolyproline II helixtrans-71.3173.917200000112.2Q144 G146 I194 G195Q144-G158 CarbonylContact O-C 3.45Å; Q144-G158 WeakPolarHBondContact O-CA 3.36Å; G146-G158 VanDerWaalsContact CA-CA 3.49Å; G158-I194 WeakPolarHBondContact O-CG2 3.42Å; G158-G195 VanDerWaalsContact CA-O 3.25Å; G158-G195 WeakPolarHBondContact CA-O 3.4Å; G158-G195 PolarHBondContact N-O 3.41Å; G158-G195 VanDerWaalsContact N-O 3.1Å
159T85Confident76.9Confident74 Ų7460.9 Ų60.945%0.45433%0.334SS..PPolyproline II helixtrans-85.3154.1176.661.50000110.9G143 Q144 I194 G195G143-T159 WeakPolarHBondContact CA-O 3.5Å; Q144-T159 WeakPolarHBondContact CB-OG1 3.49Å; Q144-T159 PolarHBondContact N-OG1 2.97Å; Q144-T159 PolarHBondContact O-N 3.35Å; Q144-T159 VanDerWaalsContact O-N 3.08Å; T159-I194 WeakPolarHBondContact O-CA 3.28Å; T159-G195 PolarHBondContact O-N 3.47Å
160S81.4Confident77.1Confident78 Ų7863.3 Ų63.355%0.54535%0.348SS..PPolyproline II helixtrans-63.8146168.2-55.20000110.9I194S160-I194 WeakPolarHBondContact OG-CG1 3.47Å
161G80.2Confident76.7Confident6 Ų658.8 Ų58.86%0.06234%0.336CS..PPolyproline II helixtrans-68.5160.2170.900000111.8Q141 G143 G192Q141-G161 CarbonylContact O-C 3.35Å; Q141-G161 WeakPolarHBondContact O-CA 3.45Å; G143-G161 VanDerWaalsContact N-CA 3.34Å; G161-G192 WeakPolarHBondContact CA-O 3.25Å; G161-G192 PolarHBondContact N-O 2.71Å
162L84.2Confident76.3Confident103 Ų10356.9 Ų56.954%0.53933%0.329SS..PPolyproline II helixtrans-82143.9174.4-65.7174.9000110.1G140 Q141 G192G140-L162 CarbonylContact C-O 3.29Å; G140-L162 WeakPolarHBondContact CA-O 3.46Å; Q141-L162 HydrophobicContact CB-CB 4.25Å; Q141-L162 PolarHBondContact N-O 3.43Å; Q141-L162 VanDerWaalsContact N-O 3.16Å; Q141-L162 PolarHBondContact O-N 3.44Å; L162-G192 PolarHBondContact O-N 2.94Å
163P78.8Confident76Confident56 Ų5666.5 Ų66.536%0.36437%0.37SS..PPolyproline II helixtrans-53.4151168.2-26.936.5000113.5M188 G189 A191P163-M188 HydrophobicContact CB-CE 3.67Å; P163-M188 HydrophobicContact CB-CG 3.86Å; P163-M188 HydrophobicContact CB-SD 3.49Å; P163-M188 WeakPolarHBondContact CB-SD 3.5Å; P163-M188 HydrophobicContact CG-CE 3.96Å; P163-M188 HydrophobicContact CG-SD 4.19Å; P163-G189 WeakPolarHBondContact CB-O 3.39Å; P163-A191 HydrophobicContact CG-CB 4.11Å
164G79.4Confident75.2Confident2 Ų267.1 Ų67.12%0.02138%0.377CS..BIsolated β-bridgetrans-74.4149.3171.800000111.1L138 G140 M188 G189L138-G164 CarbonylContact O-C 3.51Å; L138-G164 VanDerWaalsContact O-C 3.29Å; L138-G164 WeakPolarHBondContact O-CA 3.27Å; G140-G164 VanDerWaalsContact CA-CA 3.42Å; G140-G164 VanDerWaalsContact N-CA 3.29Å; G164-M188 WeakPolarHBondContact O-CG 3.34Å; G164-G189 PolarHBondContact N-O 3.48Å; G164-G189 PolarHBondContact O-N 3.16Å
165Q82.3Confident74.3Confident119 Ų11966.5 Ų66.556%0.55638%0.377SS*.PPolyproline II helixtrans-63.8148.9177.2-68.4-179.6-4.500111.2G137 L138G137-Q165 WeakPolarHBondContact CA-O 3.48Å; L138-Q165 HydrophobicContact CB-CB 4.26Å; L138-Q165 HydrophobicContact CB-CG 4.4Å; L138-Q165 PolarHBondContact O-N 3.28Å
166P78.5Confident73.6Confident55 Ų5573.7 Ų73.736%0.35742%0.415SS..PPolyproline II helixtrans-62.5157.2171.926.6-33.3000111.7G137 G186G137-P166 WeakPolarHBondContact CA-O 3.47Å; P166-G186 WeakPolarHBondContact CA-O 3.25Å; P166-G186 WeakPolarHBondContact CB-O 3.42Å
167G80Confident72.3Confident0 Ų077.6 Ų77.60%043%0.43CS..PPolyproline II helixtrans-74.4129.9174.200000111.2Q135 E185 G186 N311Q135-G167 CarbonylContact O-C 3.47Å; Q135-G167 VanDerWaalsContact O-CA 3.22Å; Q135-G167 WeakPolarHBondContact O-CA 3.29Å; G167-E185 CarbonylContact O-C 3.59Å; G167-E185 WeakPolarHBondContact O-CA 3.41Å; G167-E185 WeakPolarHBondContact O-CB 3.43Å; G167-G186 PolarHBondContact N-O 2.86Å; G167-G186 PolarHBondContact O-N 3.48Å; G167-N311 WeakPolarHBondContact CA-O 3.49Å; G167-N311 PolarHBondContact N-O 3.18Å
168N79.3Confident71.2Confident74 Ų7478.8 Ų78.840%0.39644%0.435SS..PPolyproline II helixtrans-89.3147.3-175.4-168.30.6000112.1Q135Q135-N168 HydrophobicContact CB-CB 4.46Å; Q135-N168 PolarHBondContact N-O 3.47Å; Q135-N168 PolarHBondContact O-N 2.89Å; Q135-N168 VanDerWaalsContact O-N 3.13Å
169V71.6Confident70.1Confident19 Ų1984.1 Ų84.112%0.11546%0.46CS..EExtended strand (participates in β ladder)trans-98.7110.6167-173.50000108.2C132 M134 C183 E185C132-V169 HydrophobicContact CB-CG1 4.1Å; M134-V169 HydrophobicContact CE-CB 4.13Å; M134-V169 HydrophobicContact CE-CG1 4.33Å; M134-V169 HydrophobicContact CE-CG2 3.38Å; M134-V169 HydrophobicContact SD-CG1 4.16Å; M134-V169 HydrophobicContact SD-CG2 4.26Å; V169-C183 HydrophobicContact CB-CB 4.31Å; V169-C183 HydrophobicContact CG1-CB 3.55Å; V169-C183 HydrophobicContact CG2-CB 3.82Å; V169-E185 HydrophobicContact CG2-CG 4.47Å
170V71.9Confident69Low53 Ų5381.3 Ų81.332%0.32144%0.443SS..EExtended strand (participates in β ladder)trans-102.1120.4175.2-173.90000109.4T133 Q135T133-V170 PolarHBondContact N-O 3.5Å; T133-V170 PolarHBondContact O-N 3.02Å; Q135-V170 HydrophobicContact CG-CG2 4.13Å
171A64.6Low68.2Low38 Ų3886.4 Ų86.431%0.31446%0.458SS..EExtended strand (participates in β ladder)trans-64.8133.5172.600000110.3K173A171-K173 PolarHBondContact O-N 3.43Å
172S62.5Low67.7Low47 Ų4790 Ų9033%0.32948%0.479SS..PPolyproline II helixtrans-60.9137.1179.1-172.40000110.2Y131 N174 V175Y131-S172 WeakPolarHBondContact O-CB 3.4Å; Y131-S172 PolarHBondContact O-N 3.03Å; S172-N174 PolarHBondContact O-N 2.94Å; S172-V175 PolarHBondContact O-N 3.33Å
173K58.2Low67.1Low208 Ų20885.9 Ų85.990%0.90446%0.459SS*.THydrogen-bonded Turntrans-57.8-6.3-169.3-67.5-178.6177.3179.60115.7A171A171-K173 PolarHBondContact O-N 3.43Å
174N54.6Low67Low152 Ų15287.5 Ų87.581%0.81347%0.467SS*.THydrogen-bonded Turntrans-116.98.3-167.4-67.5-6.5000115.1S172S172-N174 PolarHBondContact O-N 2.94Å
175V55.7Low67.1Low82 Ų8293 Ų9350%0.49749%0.492SS..SBendtrans-126.4129.5174.1-173.30000108.9Y131 S172 K177Y131-V175 HydrophobicContact CD2-CG2 3.84Å; Y131-V175 HydrophobicContact CE2-CG2 4.45Å; S172-V175 PolarHBondContact O-N 3.33Å; V175-K177 PolarHBondContact O-N 3.2Å
176N54.8Low66.9Low153 Ų15387.6 Ų87.682%0.81847%0.468SS*.  trans-35.794.7-179.4-90.1-21.5000112.9T178N176-T178 PolarHBondContact O-N 3.49Å; N176-T178 PolarHBondContact O-OG1 2.67Å
177K53.5Low67Low207 Ų20788.9 Ų88.990%0.948%0.477SS*.SBendtrans29.88.4151.1-135.7178.1-176.6-178.50121V175 I179V175-K177 PolarHBondContact O-N 3.2Å; K177-I179 PolarHBondContact O-N 2.91Å
178T56.5Low67Low116 Ų11694.7 Ų94.771%0.71251%0.505SS*.  trans-92.5103.9-179.9-410000104.9N176 C180N176-T178 PolarHBondContact O-N 3.49Å; N176-T178 PolarHBondContact O-OG1 2.67Å; T178-C180 PolarHBondContact O-N 2.98Å; T178-C180 VanDerWaalsContact O-N 3.15Å
179I59.8Low66.8Low125 Ų12591.4 Ų91.464%0.64149%0.489SS*.  trans-48.8124.5165.4-63.6165.2000105.6K177 Q181K177-I179 PolarHBondContact O-N 2.91Å; I179-Q181 PolarHBondContact O-N 3.25Å
180C60.6Low67Low15 Ų1597.6 Ų97.610%0.10152%0.516CS..  trans-61106.1176.337.40000109.2C130 C132 T178 V182 C183C130-C180 HydrophobicContact CB-CB 3.77Å; C130-C180 WeakPolarHBondContact SG-CB 3.35Å; C130-C180 PolarHBondContact SG-SG 3.32Å; C132-C180 PolarHBondContact SG-SG 3.37Å; T178-C180 PolarHBondContact O-N 2.98Å; T178-C180 VanDerWaalsContact O-N 3.15Å; C180-V182 PolarHBondContact O-N 3.31Å; C180-C183 HydrophobicContact CB-CB 4.5Å; C180-C183 PolarHBondContact O-N 3.42Å; C180-C183 VanDerWaalsContact O-N 3.15Å; C180-C183 PolarHBondContact SG-SG 2.93Å
181Q65Low67.4Low184 Ų18497.4 Ų97.486%0.8652%0.52SS*.THydrogen-bonded Turntrans-57.6-12.1179.7-154.285.71.400113.1I179I179-Q181 PolarHBondContact O-N 3.25Å
182V69.7Low67.8Low82 Ų8295.9 Ų95.950%0.49751%0.508SS..THydrogen-bonded Turntrans-99.9-23.1-174.3-166.40000113.1C180 H317C180-V182 PolarHBondContact O-N 3.31Å; V182-H317 VanDerWaalsContact CG1-CE1 3.47Å; V182-H317 WeakPolarHBondContact CG1-CE1 3.19Å; V182-H317 WeakPolarHBondContact CG1-ND1 3.37Å
183C71.5Confident68.4Low17 Ų1798.4 Ų98.412%0.11552%0.518CS..  trans-79.8140.7177.8-58.10000110.1C130 V169 C180 C315C130-C183 PolarHBondContact SG-SG 2.94Å; V169-C183 HydrophobicContact CB-CB 4.31Å; V169-C183 HydrophobicContact CG1-CB 3.55Å; V169-C183 HydrophobicContact CG2-CB 3.82Å; C180-C183 HydrophobicContact CB-CB 4.5Å; C180-C183 PolarHBondContact O-N 3.42Å; C180-C183 VanDerWaalsContact O-N 3.15Å; C180-C183 PolarHBondContact SG-SG 2.93Å; C183-C315 VanDerWaalsContact CA-SG 3.52Å; C183-C315 HydrophobicContact CB-CB 3.72Å; C183-C315 WeakPolarHBondContact CB-SG 3.32Å; C183-C315 WeakPolarHBondContact SG-CB 3.3Å; C183-C315 CovalentContact SG-SG 2.04Å; C183-C315 PolarHBondContact SG-SG 3.43Å
184V77.7Confident69.4Low89 Ų8993.3 Ų93.354%0.53950%0.5SS..BIsolated β-bridgetrans-111.4133.3-176.9-174.20000109.3G313 T314V184-G313 CarbonylContact O-C 3.52Å; V184-G313 WeakPolarHBondContact O-CA 3.4Å; V184-T314 PolarHBondContact N-O 3.02Å; V184-T314 PolarHBondContact O-N 3.48Å
185E80.7Confident70.3Confident119 Ų11986.2 Ų86.256%0.55646%0.462SS*.PPolyproline II helixtrans-58.6145.4171.7-69.9-177.1-176.700111G167 V169G167-E185 CarbonylContact O-C 3.59Å; G167-E185 WeakPolarHBondContact O-CA 3.41Å; G167-E185 WeakPolarHBondContact O-CB 3.43Å; V169-E185 HydrophobicContact CG2-CG 4.47Å
186G79.2Confident71.3Confident4 Ų491.1 Ų91.14%0.04147%0.471CS..PPolyproline II helixtrans-72.6152179.800000111.4P166 G167 N311 G313P166-G186 WeakPolarHBondContact CA-O 3.25Å; P166-G186 WeakPolarHBondContact CB-O 3.42Å; G167-G186 PolarHBondContact N-O 2.86Å; G167-G186 PolarHBondContact O-N 3.48Å; G186-N311 WeakPolarHBondContact CA-O 3.49Å; G186-G313 VanDerWaalsContact CA-CA 3.44Å
187P79.4Confident72.5Confident83 Ų8388.3 Ų88.354%0.53945%0.452SS..PPolyproline II helixtrans-59.2146.2178.826.2-35.1000111.4N311P187-N311 HydrophobicContact CG-CB 4.09Å
188M80.8Confident73.3Confident122 Ų12278.6 Ų78.660%0.60141%0.41SS*.PPolyproline II helixtrans-53.1137.6172.8-166.8175.156.800110.6P163 G164P163-M188 HydrophobicContact CB-CE 3.67Å; P163-M188 HydrophobicContact CB-CG 3.86Å; P163-M188 HydrophobicContact CB-SD 3.49Å; P163-M188 WeakPolarHBondContact CB-SD 3.5Å; P163-M188 HydrophobicContact CG-CE 3.96Å; P163-M188 HydrophobicContact CG-SD 4.19Å; G164-M188 WeakPolarHBondContact O-CG 3.34Å
189G75Confident74.1Confident5 Ų576.4 Ų76.45%0.05240%0.398CS..BIsolated β-bridgetrans-65.2148.117500000111P163 G164P163-G189 WeakPolarHBondContact CB-O 3.39Å; G164-G189 PolarHBondContact N-O 3.48Å; G164-G189 PolarHBondContact O-N 3.16Å
190Q76.2Confident74.8Confident149 Ų14978 Ų7870%0.69640%0.396SS*.PPolyproline II helixtrans-59.9151.6177.2-66.5-178.4-1500111.4P308Q190-P308 HydrophobicContact CB-CG 3.85Å; Q190-P308 HydrophobicContact CG-CG 4.43Å
191A79.5Confident75.3Confident49 Ų4977.5 Ų77.541%0.40539%0.393SS..PPolyproline II helixtrans-60.5145175.500000111.3P163P163-A191 HydrophobicContact CG-CB 4.11Å
192G73.5Confident75.7Confident5 Ų572.2 Ų72.25%0.05238%0.375CS..PPolyproline II helixtrans-60.5154.2168.300000111.7G161 L162 Y305G161-G192 WeakPolarHBondContact CA-O 3.25Å; G161-G192 PolarHBondContact N-O 2.71Å; L162-G192 PolarHBondContact O-N 2.94Å; G192-Y305 WeakPolarHBondContact CA-O 3.24Å
193N74Confident76Confident100 Ų10076.7 Ų76.754%0.53539%0.388SS..PPolyproline II helixtrans-63.8150.5179.2-73.8-35.7000111.1G143 Y305G143-N193 WeakPolarHBondContact CA-O 3.48Å; G143-N193 PolarHBondContact N-O 2.96Å; N193-Y305 PolarHBondContact N-O 3.21Å; N193-Y305 VanDerWaalsContact N-O 3.08Å
194I79.3Confident76.1Confident102 Ų10277 Ų7752%0.52339%0.393SS..PPolyproline II helixtrans-62137174.9-55.7174.2000109.4G158 T159 S160G158-I194 WeakPolarHBondContact O-CG2 3.42Å; T159-I194 WeakPolarHBondContact O-CA 3.28Å; S160-I194 WeakPolarHBondContact OG-CG1 3.47Å
195G73.8Confident76Confident2 Ų274.7 Ų74.72%0.02139%0.387CS..PPolyproline II helixtrans-62.9135.717100000111.3Q144 G158 T159Q144-G195 WeakPolarHBondContact O-CA 3.27Å; G158-G195 VanDerWaalsContact CA-O 3.25Å; G158-G195 WeakPolarHBondContact CA-O 3.4Å; G158-G195 PolarHBondContact N-O 3.41Å; G158-G195 VanDerWaalsContact N-O 3.1Å; T159-G195 PolarHBondContact O-N 3.47Å
196R77.4Confident75.8Confident185 Ų18575.1 Ų75.170%0.69840%0.401SS*.PPolyproline II helixtrans-69.2145.3-178-61.8-176.972.5-168.62.1109.9G146 G301 T302G146-R196 PolarHBondContact N-O 3.26Å; G146-R196 VanDerWaalsContact N-O 3.14Å; R196-G301 VanDerWaalsContact O-CA 3.26Å; R196-G301 WeakPolarHBondContact O-CA 3.31Å; R196-T302 WeakPolarHBondContact CB-OG1 3.43Å; R196-T302 WeakPolarHBondContact CD-OG1 3.47Å; R196-T302 PolarHBondContact N-O 3.15Å
197K79Confident75.6Confident95 Ų9576.8 Ų76.841%0.41342%0.418SS..PPolyproline II helixtrans-60.9140172.2175.9160.9154.61450110.9D154 G155 P157D154-K197 IonicContact OD2-NZ 3.85Å; G155-K197 WeakPolarHBondContact O-CD 3.37Å; G155-K197 WeakPolarHBondContact O-CE 3.3Å; G155-K197 WeakPolarHBondContact O-CG 3.35Å; G155-K197 PolarHBondContact O-NZ 3.01Å; P157-K197 HydrophobicContact CG-CD 4.19Å
198G70.2Confident75.5Confident2 Ų276.5 Ų76.52%0.02142%0.418CS..PPolyproline II helixtrans-66.6145.3171.800000111.6L299G198-L299 WeakPolarHBondContact CA-O 3.36Å
199P73Confident75.3Confident71 Ų7176.5 Ų76.546%0.46143%0.427SS..PPolyproline II helixtrans-60.4157.517526.9-36.4000111.9G201 L299P199-G201 PolarHBondContact O-N 3.43Å; P199-L299 WeakPolarHBondContact CD-O 3.27Å; P199-L299 HydrophobicContact CG-CB 3.82Å; P199-L299 HydrophobicContact CG-CG 4.49Å
200R74.2Confident75.3Confident159 Ų15978.1 Ų78.160%0.644%0.443SS*.PPolyproline II helixtrans-53.9132.6173.8-167.8179175169.55.6111.3G152 E153 D154G152-R200 PolarHBondContact O-NE 2.62Å; G152-R200 PolarHBondContact O-NH2 2.98Å; E153-R200 WeakPolarHBondContact O-CG 3.38Å; D154-R200 VanDerWaalsContact OD1-CB 3.27Å; D154-R200 WeakPolarHBondContact OD1-CB 3.39Å; D154-R200 WeakPolarHBondContact OD1-CD 3.16Å; D154-R200 VanDerWaalsContact OD1-CG 3.25Å; D154-R200 WeakPolarHBondContact OD1-CG 3.48Å
201G71.5Confident75.4Confident3 Ų376.9 Ų76.93%0.03144%0.44CS..PPolyproline II helixtrans-65.6150.4172.800000111.2G149 G152 E153 P199G149-G201 WeakPolarHBondContact O-CA 3.37Å; G152-G201 WeakPolarHBondContact CA-O 3.39Å; G152-G201 PolarHBondContact N-O 2.97Å; E153-G201 PolarHBondContact O-N 2.97Å; P199-G201 PolarHBondContact O-N 3.43Å
202P74.2Confident75.2Confident73 Ų7381.8 Ų81.847%0.47446%0.46SS..PPolyproline II helixtrans-59.4140.1170.625.2-35.2000110.9G152 G295 R296G152-P202 PolarHBondContact N-O 3.2Å; P202-G295 WeakPolarHBondContact O-CA 3.33Å; P202-R296 VanDerWaalsContact CD-O 3.26Å; P202-R296 WeakPolarHBondContact CD-O 3.19Å; P202-R296 HydrophobicContact CG-CB 3.97Å
203K75.7Confident75Confident177 Ų17783.5 Ų83.577%0.7748%0.477SS*.PPolyproline II helixtrans-62.3140.4175.3-170.8178178.8178.40110
204G73.1Confident75.1Confident22 Ų2285 Ų8523%0.22748%0.484CS..PPolyproline II helixtrans-57.5152.6172.200000112.8Q293G204-Q293 CarbonylContact C-O 3.58Å; G204-Q293 WeakPolarHBondContact CA-O 3.25Å
205G76.8Confident74.9Confident41 Ų4191.5 Ų91.542%0.42350%0.502SS..PPolyproline II helixtrans-68.3153.6177.100000112G292 Q293G205-G292 WeakPolarHBondContact O-CA 3.44Å; G205-Q293 PolarHBondContact N-O 3.27Å
206P76.4Confident74.5Confident129 Ų12992.9 Ų92.984%0.83852%0.517SS*.PPolyproline II helixtrans-61.8151.4174.526-32.5000111.6
207G73.5Confident74.2Confident39 Ų3987.6 Ų87.640%0.40251%0.508SS..PPolyproline II helixtrans-66.2155.4172.300000112R290G207-R290 WeakPolarHBondContact CA-O 3.26Å
208S78.1Confident73.8Confident77 Ų7794.3 Ų94.354%0.53853%0.531SS..PPolyproline II helixtrans-68.7138.5172.3-53.30000109.7G289 R290S208-G289 VanDerWaalsContact O-CA 3.24Å; S208-G289 WeakPolarHBondContact O-CA 3.35Å; S208-R290 PolarHBondContact N-O 3.4Å
209P76.1Confident73.2Confident122 Ų12295.8 Ų95.879%0.79255%0.546SS*.PPolyproline II helixtrans-53.7147.7172.2-24.533.9000111.5
210G74.7Confident72.9Confident38 Ų38100.4 Ų100.439%0.39256%0.564SS.*PPolyproline II helixtrans-64.3158.217000000111.3D287G210-D287 VanDerWaalsContact CA-O 3.28Å; G210-D287 WeakPolarHBondContact CA-O 3.43Å
211I78.5Confident72.7Confident124 Ų12499.2 Ų99.264%0.63657%0.574SS**PPolyproline II helixtrans-82.7133.9173.5-58.6173.6000107.6G286 D287I211-G286 WeakPolarHBondContact O-CA 3.21Å; I211-D287 PolarHBondContact N-O 2.76Å
212N75.9Confident71.9Confident151 Ų151100.7 Ų100.781%0.80759%0.588SS**PPolyproline II helixtrans-63138.7176.4-70.2-19.8000110.4
213G70Confident71.6Confident41 Ų41102.6 Ų102.642%0.42360%0.601SS.*PPolyproline II helixtrans-60.9149.3172.700000111.8D284G213-D284 WeakPolarHBondContact CA-O 3.46Å
214I76.4Confident71.2Confident133 Ų133103.1 Ų103.168%0.68261%0.606SS**PPolyproline II helixtrans-72.5132.8177.5-58.8174000108.4G216 G283I214-G216 PolarHBondContact O-N 3.33Å; I214-G283 VanDerWaalsContact O-CA 3.3Å; I214-G283 WeakPolarHBondContact O-CA 3.35Å
215R74.3Confident70.2Confident237 Ų237104.8 Ų104.889%0.89462%0.624SS**PPolyproline II helixtrans-64.3130175.3-176.3179.4179.6174.52.1109.8
216G64.7Low69.5Low32 Ų32112.4 Ų112.433%0.3365%0.645SS.*PPolyproline II helixtrans-55.4143.8174.900000112.7I214 I281I214-G216 PolarHBondContact O-N 3.33Å; G216-I281 VanDerWaalsContact CA-O 3.3Å; G216-I281 WeakPolarHBondContact CA-O 3.49Å
217S71.8Confident69Low74 Ų74112 Ų11252%0.51764%0.643SS.*PPolyproline II helixtrans-64.7143.5179.956.80000111.8G219 G280S217-G219 PolarHBondContact O-N 3.46Å; S217-G280 WeakPolarHBondContact O-CA 3.26Å
218R70.5Confident68Low236 Ų236113.2 Ų113.289%0.89166%0.655SS**PPolyproline II helixtrans-59.6136171.4-174.3178.8-180169.60.6109.6
219G57.9Low67.2Low33 Ų33117.6 Ų117.634%0.3467%0.671SS.*PPolyproline II helixtrans-58.7147174.300000111.9S217S217-G219 PolarHBondContact O-N 3.46Å
220M66.2Low66.3Low168 Ų168116.3 Ų116.383%0.82867%0.67SS**PPolyproline II helixtrans-64.8145178.5-65.7178.468.500111.4
221V69.5Low65.3Low134 Ų134117 Ų11781%0.81268%0.678SS**PPolyproline II helixtrans-65.6136.1170.1-176.80000108.5
222G56Low64.6Low33 Ų33117.6 Ų117.634%0.3469%0.689SS.*PPolyproline II helixtrans-64.1157.3177.200000112.3
223P67.2Low63.8Low113 Ų113116.6 Ų116.673%0.73469%0.693SS**PPolyproline II helixtrans-63.8152.4178.628-34.7000112
224E68.1Low63Low188 Ų188117.2 Ų117.288%0.87970%0.699SS**PPolyproline II helixtrans-63.1144.7171.5-169.5173.3-174.100110.8
225G52.6Low62.5Low58 Ų58116.9 Ų116.960%0.59871%0.706SS**PPolyproline II helixtrans-69.8149.7178.500000112.5
226F61.1Low62Low201 Ų201111.7 Ų111.788%0.88270%0.703SS**PPolyproline II helixtrans-66.2145.2177.4-67.4-79.7000112.4
227P65Low61.6Low121 Ų121113 Ų11379%0.78672%0.715SS**PPolyproline II helixtrans-58.5147.3171.1-22.933.1000112.7
228G53.9Low61.2Low63 Ų63115.8 Ų115.865%0.64973%0.732SS**PPolyproline II helixtrans-66.7153.2175.200000113.2
229I59.9Low60.6Low170 Ų170114.3 Ų114.387%0.87273%0.732SS**PPolyproline II helixtrans-75.8140.3179.3-51.2170000109.9
230A58.5Low60.2Low94 Ų94115.6 Ų115.678%0.77775%0.745SS**PPolyproline II helixtrans-63.4141.2174.500000112
231G53.7Low59.7Low54 Ų54119.5 Ų119.556%0.55775%0.751SS**PPolyproline II helixtrans-71.2159.8177.200000113.5
232P64.4Low58.8Low135 Ų135120.4 Ų120.488%0.87775%0.751SS**PPolyproline II helixtrans-65.6153.917927.7-34.4000112.7
233C58.6Low58.5Low131 Ų131122.5 Ų122.589%0.88577%0.773SS**PPolyproline II helixtrans-68.4144.5173.8-155.50000110.9
234G53Low57.4Low53 Ų53123.8 Ų123.855%0.54678%0.779SS.*PPolyproline II helixtrans-70.9158.4177.100000113.1
235P65.6Low56.2Low127 Ų127121.2 Ų121.283%0.82578%0.776SS**PPolyproline II helixtrans-67.2155-179.828-34.6000112.9
236P64.5Low56.2Low128 Ų128124.2 Ų124.283%0.83178%0.783SS**PPolyproline II helixtrans-59.4148173.8-22.733.4000113.3
237G56.5Low55.5Low58 Ų58122.2 Ų122.260%0.59878%0.781SS**PPolyproline II helixtrans-68.6160.2175.900000113.6
238P62.2Low54.5Low134 Ų134122.5 Ų122.587%0.8778%0.78SS**PPolyproline II helixtrans-66.2147.4-178.727.2-34.3000112.8
239K57.9Low54Low204 Ų204126.4 Ų126.489%0.88779%0.792SS**PPolyproline II helixtrans-69.1135176.1-171.4176.2179.8178.40110.8
240G50.1Low53.6Low60 Ų60120.7 Ų120.762%0.61977%0.774SS**PPolyproline II helixtrans-63.6143.6175.500000112.7
241R54.8Low53.2Low251 Ų251122 Ų12295%0.94778%0.775SS**PPolyproline II helixtrans-86.8129.3-178.2-167.4177-178.3-178.20.5110.3
242N51.1Low53.3Low152 Ų152125.4 Ų125.481%0.81379%0.788SS**PPolyproline II helixtrans-72.9137.5172.2-68.7-6.9000110.3
243G49.3Very low52.8Low78 Ų78122 Ų12280%0.80478%0.776SS**PPolyproline II helixtrans-93130.1169.900000111
244T44Very low52.5Low140 Ų140121.8 Ų121.886%0.85977%0.773SS**  trans-114.9111170.428.90000108.3
245V43.5Very low52.6Low133 Ų133125.9 Ų125.981%0.80679%0.788SS**  trans-133.1132160.2-176.20000106.6
246T52.7Low51.9Low122 Ų122122.7 Ų122.775%0.74878%0.779SS**THydrogen-bonded Turntrans-55143.7178.938.70000112.6
247D45.8Very low51.2Low159 Ų159126.5 Ų126.585%0.8578%0.782SS**THydrogen-bonded Turntrans85.12.4163.5-58.4-26.8000122.3
248V45.1Very low51Low127 Ų127132.8 Ų132.877%0.7780%0.796SS**  trans-147.2121.2161.5-165.90000110.7G250V248-G250 PolarHBondContact O-N 3.02Å
249T43.8Very low50.4Low145 Ų145129 Ų12989%0.8978%0.781SS**  trans-6496.1168.8-55.20000109
250G49.7Very low50Low49 Ų49127.2 Ų127.251%0.50578%0.78SS.*PPolyproline II helixtrans-70.3150.4168.100000111.1V248V248-G250 PolarHBondContact O-N 3.02Å
251P50.9Low50.1Low121 Ų121134.1 Ų134.179%0.78679%0.792SS**PPolyproline II helixtrans-56.5154.5173.924.8-33.5000111G253P251-G253 PolarHBondContact O-N 3.23Å
252P55.4Low49.8Very low127 Ų127124.8 Ų124.883%0.82578%0.775SS**PPolyproline II helixtrans-46.5134.5175-27.434000111.2
253G53.9Low49.8Very low62 Ų62124 Ų12464%0.63978%0.776SS**PPolyproline II helixtrans-53.2144.6174.300000110.2P251 T255P251-G253 PolarHBondContact O-N 3.23Å; G253-T255 PolarHBondContact O-N 3.46Å
254P51.9Low50Low127 Ų127124.9 Ų124.983%0.82578%0.775SS**PPolyproline II helixtrans-54140.2-178.322.6-33.2000110.6G256P254-G256 PolarHBondContact O-N 3.03Å
255T56.4Low50.2Low140 Ų140121 Ų12186%0.85976%0.763SS**  trans-45.7124.7172-54.70000109G253 K257G253-T255 PolarHBondContact O-N 3.46Å; T255-K257 PolarHBondContact O-N 3.45Å
256G51.1Low50.6Low60 Ų60122.4 Ų122.462%0.61976%0.764SS**PPolyproline II helixtrans-50.2137.8177.800000110.3P254 Q258P254-G256 PolarHBondContact O-N 3.03Å; G256-Q258 PolarHBondContact O-N 3.3Å
257K49.8Very low50.8Low207 Ų207122.2 Ų122.290%0.977%0.765SS**PPolyproline II helixtrans-51.1138.1179-67.3-176177.8-177.40109.6T255 G259T255-K257 PolarHBondContact O-N 3.45Å; K257-G259 PolarHBondContact O-N 2.95Å
258Q52Low51.1Low190 Ų190117.2 Ų117.289%0.88875%0.751SS**PPolyproline II helixtrans-47.9127.4170.7-175.417714.900108.4G256 I260G256-Q258 PolarHBondContact O-N 3.3Å; Q258-I260 PolarHBondContact O-N 3.41Å
259G48.7Very low51.5Low55 Ų55122.9 Ų122.957%0.56776%0.758SS**PPolyproline II helixtrans-52.3139176.400000110K257 K261K257-G259 PolarHBondContact O-N 2.95Å; G259-K261 PolarHBondContact O-N 3.44Å
260I49.3Very low52.1Low167 Ų167124.1 Ų124.186%0.85675%0.752SS**PPolyproline II helixtrans-51.8129.6173.742.9172.5000109.4Q258 G262Q258-I260 PolarHBondContact O-N 3.41Å; I260-G262 PolarHBondContact O-N 2.99Å; I260-G262 VanDerWaalsContact O-N 3.15Å
261K52.6Low52.4Low204 Ų204123.8 Ų123.889%0.88775%0.748SS**PPolyproline II helixtrans-52.6123.6171-175.7178.5-179.5179.50107.1G259 T263G259-K261 PolarHBondContact O-N 3.44Å; K261-T263 PolarHBondContact O-N 3.32Å
262G49.1Very low52.7Low56 Ų56124 Ų12458%0.57775%0.75SS**PPolyproline II helixtrans-50.8141.7175.800000110I260I260-G262 PolarHBondContact O-N 2.99Å; I260-G262 VanDerWaalsContact O-N 3.15Å
263T50.6Low53Low136 Ų136124.1 Ų124.183%0.83474%0.743SS**PPolyproline II helixtrans-54.6144.3174.349.40000109.5K261 G265K261-T263 PolarHBondContact O-N 3.32Å; T263-G265 PolarHBondContact O-N 3.36Å
264A52.9Low53.1Low96 Ų96123.7 Ų123.779%0.79374%0.739SS**PPolyproline II helixtrans-50.5134.7171.200000109.3
265G48.6Very low53.5Low58 Ų58126.9 Ų126.960%0.59874%0.74SS**PPolyproline II helixtrans-55.1146.9174.300000110.2T263T263-G265 PolarHBondContact O-N 3.36Å
266I52.7Low53.9Low163 Ų163124.9 Ų124.984%0.83674%0.737SS**PPolyproline II helixtrans-57.1134.3174-47.1171000107.3G268I266-G268 PolarHBondContact O-N 3.49Å
267P56.3Low54.3Low118 Ų118123.9 Ų123.977%0.76673%0.727SS**PPolyproline II helixtrans-48.6132.7174-27.534.5000110.3
268G51.5Low55.3Low53 Ų53123 Ų12355%0.54672%0.723SS.*PPolyproline II helixtrans-53.7146.3176.600000110.6I266 K270I266-G268 PolarHBondContact O-N 3.49Å; G268-K270 PolarHBondContact O-N 3.39Å
269R55.2Low56.1Low246 Ų246119.8 Ų119.893%0.92872%0.719SS**PPolyproline II helixtrans-54.9138.3172.5-71.3-175.9174.4-168.2-1.6108.7G271R269-G271 PolarHBondContact O-N 3.39Å
270K56.4Low56.8Low172 Ų172118.8 Ų118.875%0.74871%0.709SS**PPolyproline II helixtrans-48.1126.9170.6-172.9-171168.5-157.70107.6G268 D273G268-K270 PolarHBondContact O-N 3.39Å; K270-D273 IonicContact NZ-OD1 2.76Å; K270-D273 PolarHBondContact NZ-OD1 3.39Å
271G56.1Low57.9Low42 Ų42117.2 Ų117.243%0.43370%0.7SS.*PPolyproline II helixtrans-55.2158.1174.200000110.8R269R269-G271 PolarHBondContact O-N 3.39Å
272P57Low58.9Low126 Ų126116 Ų11682%0.81870%0.698SS**PPolyproline II helixtrans-54.6145.217425.3-33.6000109.9G274P272-G274 PolarHBondContact O-N 3.36Å
273D61.3Low59.9Low128 Ų128114.5 Ų114.568%0.68468%0.683SS**PPolyproline II helixtrans-54.6136.3175.5-68-36000109.3K270K270-D273 IonicContact NZ-OD1 2.76Å; K270-D273 PolarHBondContact NZ-OD1 3.39Å
274G55.2Low61.2Low53 Ų53114.3 Ų114.355%0.54668%0.676SS.*PPolyproline II helixtrans-54.4143.5179.200000110.7P272 A276P272-G274 PolarHBondContact O-N 3.36Å; G274-A276 PolarHBondContact O-N 3.46Å
275K61.1Low62.3Low195 Ų195115 Ų11585%0.84868%0.676SS**PPolyproline II helixtrans-52.9134.1176-68.1-175.6178.8-178.70109G277K275-G277 PolarHBondContact O-N 3.48Å
276A64.6Low63.4Low98 Ų98114 Ų11481%0.8167%0.666SS**PPolyproline II helixtrans-50.3133.517500000109.7G274G274-A276 PolarHBondContact O-N 3.46Å
277G60.4Low64.7Low39 Ų39112.1 Ų112.140%0.40266%0.657SS.*PPolyproline II helixtrans-54.8148.2174.800000110.2K275K275-G277 PolarHBondContact O-N 3.48Å
278K69.2Low65.8Low187 Ų187116.2 Ų116.281%0.81366%0.663SS**PPolyproline II helixtrans-55.8140.3175.1-66.2-176.9179.9-178.50109G280K278-G280 PolarHBondContact O-N 3.31Å
279P68.5Low66.9Low124 Ų124115.5 Ų115.581%0.80566%0.656SS**PPolyproline II helixtrans-49.3141.9171.4-26.334.4000110.4
280G64Low68.2Low34 Ų34113.6 Ų113.635%0.35165%0.648SS.*PPolyproline II helixtrans-57.4152.6173.800000110.9S217 K278 Q282S217-G280 WeakPolarHBondContact O-CA 3.26Å; K278-G280 PolarHBondContact O-N 3.31Å; G280-Q282 PolarHBondContact O-N 3.3Å
281I72.7Confident69.3Low133 Ų133115.4 Ų115.468%0.68266%0.656SS**PPolyproline II helixtrans-59.6132.5172.654.6173000109.4G216 G283G216-I281 VanDerWaalsContact CA-O 3.3Å; G216-I281 WeakPolarHBondContact CA-O 3.49Å; I281-G283 PolarHBondContact O-N 3.36Å
282Q74.5Confident70.2Confident178 Ų178114.6 Ų114.683%0.83265%0.648SS**PPolyproline II helixtrans-60.8131.9171.1-179.7173.8-2100107.9G280G280-Q282 PolarHBondContact O-N 3.3Å
283G69.4Low71.2Confident25 Ų25116.7 Ų116.726%0.25865%0.647SS.*PPolyproline II helixtrans-66.5152.5176.600000111.8I214 I281I214-G283 VanDerWaalsContact O-CA 3.3Å; I214-G283 WeakPolarHBondContact O-CA 3.35Å; I281-G283 PolarHBondContact O-N 3.36Å
284D77.2Confident72Confident132 Ų132114.1 Ų114.171%0.70664%0.644SS**PPolyproline II helixtrans-61.8144.7177.9-64.2-39.4000111.4G213G213-D284 WeakPolarHBondContact CA-O 3.46Å
285S76.1Confident72.8Confident111 Ų111112.2 Ų112.278%0.77662%0.623SS**PPolyproline II helixtrans-64.7135.9171.7-67.40000109.4
286G72.9Confident73.5Confident38 Ų38112.8 Ų112.839%0.39262%0.62SS.*PPolyproline II helixtrans-62.4149.9176.700000112.5I211I211-G286 WeakPolarHBondContact O-CA 3.21Å
287D79.3Confident73.9Confident122 Ų122112 Ų11265%0.65261%0.607SS**PPolyproline II helixtrans-65.6138.7176.9-72.8-38.1000111.5G210 I211 G289G210-D287 VanDerWaalsContact CA-O 3.28Å; G210-D287 WeakPolarHBondContact CA-O 3.43Å; I211-D287 PolarHBondContact N-O 2.76Å; D287-G289 PolarHBondContact O-N 3.19Å
288K79.3Confident74.4Confident205 Ų205110.7 Ų110.789%0.89159%0.594SS**PPolyproline II helixtrans-61.1135.6171.2-70.6-177.7-179.5176.30109.4
289G74.9Confident74.7Confident38 Ų38108.1 Ų108.139%0.39259%0.588SS.*PPolyproline II helixtrans-56.6151.7175.100000112.5S208 D287S208-G289 VanDerWaalsContact O-CA 3.24Å; S208-G289 WeakPolarHBondContact O-CA 3.35Å; D287-G289 PolarHBondContact O-N 3.19Å
290R81.9Confident75.1Confident206 Ų206111 Ų11178%0.77758%0.583SS**PPolyproline II helixtrans-72.6141177.1-65.1-177.673.2-177.83110.2G207 S208G207-R290 WeakPolarHBondContact CA-O 3.26Å; S208-R290 PolarHBondContact N-O 3.4Å
291K79.9Confident75.6Confident209 Ų209110 Ų11091%0.90957%0.572SS**PPolyproline II helixtrans-55.7139.3171.2-171.8178.2177.3-177.10109.5
292G74.7Confident75.8Confident25 Ų25107.4 Ų107.426%0.25856%0.563SS.*PPolyproline II helixtrans-59.7159.9176.900000112.8G205G205-G292 WeakPolarHBondContact O-CA 3.44Å
293Q79Confident76.1Confident170 Ų170104.8 Ų104.879%0.79455%0.55SS**PPolyproline II helixtrans-67.4138.3174-65.8-178.77.400109.8G204 G205G204-Q293 CarbonylContact C-O 3.58Å; G204-Q293 WeakPolarHBondContact CA-O 3.25Å; G205-Q293 PolarHBondContact N-O 3.27Å
294A77.2Confident76.3Confident75 Ų75104 Ų10462%0.6254%0.543SS*.PPolyproline II helixtrans-55.6145.517000000110.2D151D151-A294 WeakPolarHBondContact OD1-CA 3.35Å; D151-A294 WeakPolarHBondContact OD1-CB 3.38Å
295G71.9Confident76.3Confident12 Ų12106.2 Ų106.212%0.12454%0.543CS..PPolyproline II helixtrans-64151.1171.800000110.2D151 P202D151-G295 WeakPolarHBondContact OD1-CA 3.27Å; D151-G295 PolarHBondContact OD1-N 3.3Å; P202-G295 WeakPolarHBondContact O-CA 3.33Å
296R75.5Confident76.4Confident207 Ų207107.2 Ų107.278%0.78153%0.533SS*.PPolyproline II helixtrans-64.2146.1170.5-67.3-175177.5-170.5-0.9108.9P202P202-R296 VanDerWaalsContact CD-O 3.26Å; P202-R296 WeakPolarHBondContact CD-O 3.19Å; P202-R296 HydrophobicContact CG-CB 3.97Å
297P73.9Confident76.4Confident82 Ų82105.6 Ų105.653%0.53252%0.516SS..PPolyproline II helixtrans-56.7143.9170.3-19.930.7000110.8D148D148-P297 HydrophobicContact CB-CB 4.42Å; D148-P297 WeakPolarHBondContact OD2-CB 3.35Å
298G70.4Confident76.1Confident12 Ų12103.1 Ų103.112%0.12451%0.507CS..  trans-64.7174.1173.600000112D148 G149D148-G298 WeakPolarHBondContact CB-O 3.18Å; G149-G298 PolarHBondContact O-N 3.45Å
299L74.6Confident76Confident132 Ų13295.7 Ų95.769%0.69148%0.478SS*.  trans-72.3146.8172.4-62.3173.3000109.7G198 P199G198-L299 WeakPolarHBondContact CA-O 3.36Å; P199-L299 WeakPolarHBondContact CD-O 3.27Å; P199-L299 HydrophobicContact CG-CB 3.82Å; P199-L299 HydrophobicContact CG-CG 4.49Å
300R77Confident75.8Confident186 Ų18693.9 Ų93.970%0.70246%0.46SS*.  trans-61.6146.9169.6-175.7175.1-78.5-178.2-4.5109.4P145 G146P145-R300 HydrophobicContact CB-CG 4.07Å; G146-R300 WeakPolarHBondContact O-CG 3.3Å
301G75Confident75.4Confident12 Ų1288.8 Ų88.812%0.12445%0.448CS..  trans-59.5174.8172.100000113.3P145 G146 R196P145-G301 VanDerWaalsContact CB-O 3.23Å; P145-G301 WeakPolarHBondContact CB-O 3.41Å; G146-G301 PolarHBondContact O-N 3.29Å; R196-G301 VanDerWaalsContact O-CA 3.26Å; R196-G301 WeakPolarHBondContact O-CA 3.31Å
302T77.6Confident75.2Confident79 Ų7981 Ų8149%0.48542%0.419SS..PPolyproline II helixtrans-92.5144.6172.662.30000110.7R196R196-T302 WeakPolarHBondContact CB-OG1 3.43Å; R196-T302 WeakPolarHBondContact CD-OG1 3.47Å; R196-T302 PolarHBondContact N-O 3.15Å
303Q80.5Confident75Confident122 Ų12280.2 Ų80.257%0.5741%0.411SS*.PPolyproline II helixtrans-58.5146.6173-168174-6.200110.1P142 G143 P145P142-Q303 HydrophobicContact CB-CG 4.17Å; G143-Q303 WeakPolarHBondContact O-CG 3.28Å; P145-Q303 HydrophobicContact CG-CB 3.98Å
304G74.4Confident74.7Confident10 Ų1076.4 Ų76.410%0.10340%0.399CS..PPolyproline II helixtrans-65.3173.1170.900000111.6P142 G143P142-G304 VanDerWaalsContact CB-O 3.23Å; P142-G304 WeakPolarHBondContact CB-O 3.45Å; G143-G304 PolarHBondContact O-N 3.41Å
305Y75.4Confident74.3Confident178 Ų17873.8 Ų73.870%0.69838%0.376SS*.PPolyproline II helixtrans-89.7150.4170.6-66-74.7000111G192 N193G192-Y305 WeakPolarHBondContact CA-O 3.24Å; N193-Y305 PolarHBondContact N-O 3.21Å; N193-Y305 VanDerWaalsContact N-O 3.08Å
306K79.4Confident74.1Confident132 Ų13281.7 Ų81.757%0.57441%0.41SS*.PPolyproline II helixtrans-59139.6174.7-160.5179.7-172.7-174.30110A139 G140 P142A139-K306 HydrophobicContact CB-CD 3.81Å; A139-K306 HydrophobicContact CB-CG 4.24Å; A139-K306 VanDerWaalsContact O-CE 3.32Å; A139-K306 WeakPolarHBondContact O-CE 3.07Å; G140-K306 WeakPolarHBondContact O-CG 3.33Å; P142-K306 HydrophobicContact CG-CB 4.04Å; P142-K306 HydrophobicContact CG-CG 4.36Å
307G73.4Confident73.6Confident4 Ų477.5 Ų77.54%0.04140%0.399CS..PPolyproline II helixtrans-70.4153.3172.500000110.7A139 G140A139-G307 VanDerWaalsContact CB-O 3.31Å; A139-G307 WeakPolarHBondContact CB-O 3.3Å; G140-G307 PolarHBondContact N-O 2.95Å; G140-G307 PolarHBondContact O-N 3.5Å
308P72.2Confident73Confident70 Ų7074.3 Ų74.346%0.45538%0.378SS..PPolyproline II helixtrans-62.3158.2174.728.8-35000111.2Q190Q190-P308 HydrophobicContact CB-CG 3.85Å; Q190-P308 HydrophobicContact CG-CG 4.43Å
309T76.9Confident72.5Confident48 Ų4877.4 Ų77.429%0.29440%0.396SS..PPolyproline II helixtrans-65.7143.5173.6-450000111.4Q136 G137Q136-T309 HydrophobicContact CG-CG2 3.57Å; G137-T309 VanDerWaalsContact C-CG2 3.46Å; G137-T309 WeakPolarHBondContact O-CG2 2.79Å
310G71.7Confident71.6Confident0 Ų078.9 Ų78.90%040%0.397CS..PPolyproline II helixtrans-60.7140.7169.800000111.3Q136 G137Q136-G310 VanDerWaalsContact CG-O 3.24Å; Q136-G310 WeakPolarHBondContact CG-O 3.32Å; G137-G310 PolarHBondContact N-O 3.4Å; G137-G310 VanDerWaalsContact N-O 3.15Å
311N73.7Confident70.4Confident100 Ų10074.4 Ų74.454%0.53539%0.392SS..PPolyproline II helixtrans-64.1148.1178.1-71.1-27.1000109.7G167 G186 P187G167-N311 WeakPolarHBondContact CA-O 3.49Å; G167-N311 PolarHBondContact N-O 3.18Å; G186-N311 WeakPolarHBondContact CA-O 3.49Å; P187-N311 HydrophobicContact CG-CB 4.09Å
312P74.9Confident69.3Low45 Ų4584.7 Ų84.729%0.29243%0.428SS..PPolyproline II helixtrans-57.4149.3168-18.631.4000110.2M134 Q136M134-P312 HydrophobicContact CB-CB 4.07Å; Q136-P312 HydrophobicContact CB-CG 4.26Å; Q136-P312 HydrophobicContact CG-CG 4.18Å
313G70.9Confident67.8Low8 Ų889.9 Ų89.98%0.08245%0.448CS..  trans-66.7177.8172.800000113M134 V184 G186M134-G313 VanDerWaalsContact CE-O 3.24Å; M134-G313 WeakPolarHBondContact CE-O 3.45Å; M134-G313 WeakPolarHBondContact CG-O 3.42Å; V184-G313 CarbonylContact O-C 3.52Å; V184-G313 WeakPolarHBondContact O-CA 3.4Å; G186-G313 VanDerWaalsContact CA-CA 3.44Å
314T72.7Confident66.1Low91 Ų9187.1 Ų87.156%0.55845%0.447SS*.BIsolated β-bridgetrans-119.9145-178.858.90000110.8V184V184-T314 PolarHBondContact N-O 3.02Å; V184-T314 PolarHBondContact O-N 3.48Å
315C67.9Low64.6Low19 Ų1991.5 Ų91.513%0.12847%0.473CS..  trans-142.6115.2169.5-154.40000110.1M134 C183 H317 C318M134-C315 HydrophobicContact SD-CB 4.31Å; C183-C315 VanDerWaalsContact CA-SG 3.52Å; C183-C315 HydrophobicContact CB-CB 3.72Å; C183-C315 WeakPolarHBondContact CB-SG 3.32Å; C183-C315 WeakPolarHBondContact SG-CB 3.3Å; C183-C315 CovalentContact SG-SG 2.04Å; C183-C315 PolarHBondContact SG-SG 3.43Å; C315-H317 VanDerWaalsContact C-N 3.3Å; C315-C318 HydrophobicContact CB-CB 4.25Å; C315-C318 VanDerWaalsContact SG-SG 3.65Å
316E67.1Low62.9Low179 Ų17986.3 Ų86.384%0.83647%0.473SS*.THydrogen-bonded Turntrans-79-14.3-175.8-62-174.5163.900113.2
317H64.9Low60.8Low118 Ų11891.8 Ų91.855%0.54649%0.492SS..THydrogen-bonded Turntrans-107-0.7-174.1-62.171.9000113V182 C315 P319V182-H317 VanDerWaalsContact CG1-CE1 3.47Å; V182-H317 WeakPolarHBondContact CG1-CE1 3.19Å; V182-H317 WeakPolarHBondContact CG1-ND1 3.37Å; C315-H317 VanDerWaalsContact C-N 3.3Å; H317-P319 WeakPolarHBondContact O-CD 3.3Å
318C62.8Low60.2Low16 Ų1696.2 Ų96.211%0.10852%0.515CS..  trans-81.7121.8173.7-76.90000109.1C130 C315 F320C130-C318 PolarHBondContact O-SG 2.97Å; C130-C318 PolarHBondContact SG-SG 2.68Å; C315-C318 HydrophobicContact CB-CB 4.25Å; C315-C318 VanDerWaalsContact SG-SG 3.65Å; C318-F320 PolarHBondContact O-N 3.18Å
319P59.6Low59.6Low76 Ų7697.5 Ų97.549%0.49452%0.518SS..SBendtrans-63.8-7.1178.423.3-31.3000113.7T129 H317T129-P319 HydrophobicContact CG2-CG 3.79Å; H317-P319 WeakPolarHBondContact O-CD 3.3Å
320F56.1Low58.6Low164 Ų164100.3 Ų100.372%0.71953%0.53SS*.  trans-12383.7172.6-62.4-77.8000111.1C318 R322C318-F320 PolarHBondContact O-N 3.18Å; F320-R322 PolarHBondContact O-N 3.39Å
321P50.8Low57.8Low92 Ų92106.2 Ų106.260%0.59756%0.562SS**  trans-68.8131.5154.230.8-28.1000106.3
322R52.1Low56.8Low228 Ų228106.6 Ų106.686%0.8656%0.563SS**  trans90.8102.5167.4-48.3163.5-174.6-167.22.6115.5F320F320-R322 PolarHBondContact O-N 3.39Å
323M47.3Very low55.6Low187 Ų187110.7 Ų110.792%0.92158%0.581SS**  -157.4105.7108.5-96.5156.4179.500106.2
324A44.6Very low54.5Low65 Ų65118 Ų11854%0.53762%0.617SS.*  trans-56.8132.4164.500000107.5G326A324-G326 PolarHBondContact O-N 2.89Å
325P41.8Very low53.1Low102 Ų102120.1 Ų120.166%0.66262%0.622SS**SBendtrans-72.6111.6173.625.3-24.7000108.1
326G41Very low51.9Low68 Ų68128.5 Ų128.570%0.70166%0.663SS**  trans166.459.9177.600000115.3A324A324-G326 PolarHBondContact O-N 2.89Å
327Y34.8Very low50.5Low247 Ų247123.9 Ų123.997%0.96965%0.647SS**  trans-103.20133.9-82.7-80.5000106.9L67 E70L67-Y327 HydrophobicContact CD2-CE1 4.45Å; L67-Y327 VanDerWaalsContact CD2-OH 3.26Å; L67-Y327 WeakPolarHBondContact CD2-OH 3.42Å; E70-Y327 PolarHBondContact OE2-OH 3.33Å

Retrieved 327 of 327 residues in 41.3 ms (Link to these results)