A0A077ZJZ8_TRITR Loading...

Cuticle collagen 6 (Protein roller 8)

AlphaFold DB , UniProt , Accession A0A077ZJZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 367 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
1M67.5Low80.5Confident200 Ų200121.5 Ų121.599%0.98560%0.602SS**  0-61.30-63.4-157.4-73.900111.6Y3 E4 E5M1-Y3 PolarHBondContact O-N 3.45Å; M1-E4 PolarHBondContact O-N 3.17Å; M1-E4 VanDerWaalsContact O-N 3.14Å; M1-E5 PolarHBondContact O-N 2.95Å
2A76.9Confident81Confident80 Ų80122.8 Ų122.866%0.66161%0.605SS**Hα-helixtrans-56.6-37.3-177.700000116.2E4 C6A2-E4 PolarHBondContact O-N 2.99Å; A2-C6 WeakPolarHBondContact O-CB 3.45Å; A2-C6 PolarHBondContact O-N 2.9Å; A2-C6 VanDerWaalsContact O-N 3.11Å
3Y79.6Confident81.5Confident194 Ų194120.1 Ų120.176%0.76159%0.594SS**Hα-helixtrans-65.3-37.7178.4-173.4-95.7000112.8M1 C6 Y7M1-Y3 PolarHBondContact O-N 3.45Å; Y3-C6 PolarHBondContact O-N 3.44Å; Y3-Y7 PolarHBondContact O-N 3.23Å
4E81.3Confident82.1Confident118 Ų118116.6 Ų116.655%0.55158%0.583SS**Hα-helixtrans-75.4-35.1-176.5-154.1-172.6149.900111.8M1 A2 K8M1-E4 PolarHBondContact O-N 3.17Å; M1-E4 VanDerWaalsContact O-N 3.14Å; A2-E4 PolarHBondContact O-N 2.99Å; E4-K8 WeakPolarHBondContact O-CG 3.48Å; E4-K8 PolarHBondContact O-N 3.18Å; E4-K8 VanDerWaalsContact O-N 3.09Å; E4-K8 IonicContact OE1-NZ 3.39Å; E4-K8 PolarHBondContact OE1-NZ 3.17Å
5E81.4Confident82.6Confident145 Ų145113.7 Ų113.768%0.67857%0.574SS**Hα-helixtrans-67-41.1171.2-71.7-176.1158.100111.8M1 Y7 K8 L9M1-E5 PolarHBondContact O-N 2.95Å; E5-Y7 PolarHBondContact O-N 3.17Å; E5-K8 PolarHBondContact O-N 2.92Å; E5-L9 WeakPolarHBondContact O-CB 3.09Å; E5-L9 PolarHBondContact O-N 3.25Å
6C79.8Confident83Confident76 Ų76114.4 Ų114.451%0.51457%0.574SS.*Hα-helixtrans-63-42.2175.9-169.50000111.7A2 Y3 L9 T10A2-C6 WeakPolarHBondContact O-CB 3.45Å; A2-C6 PolarHBondContact O-N 2.9Å; A2-C6 VanDerWaalsContact O-N 3.11Å; Y3-C6 PolarHBondContact O-N 3.44Å; C6-L9 PolarHBondContact O-N 3.21Å; C6-T10 WeakPolarHBondContact O-CG2 2.91Å; C6-T10 PolarHBondContact O-N 3.19Å; C6-T10 PolarHBondContact O-OG1 3.38Å
7Y84.9Confident83.4Confident125 Ų125115.4 Ų115.449%0.4958%0.578SS.*Hα-helixtrans-63.6-42.3176.5-169.7-92.6000112.5Y3 E5 L9 T10 E11Y3-Y7 PolarHBondContact O-N 3.23Å; E5-Y7 PolarHBondContact O-N 3.17Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.27Å; Y7-T10 WeakPolarHBondContact CA-OG1 3.25Å; Y7-T10 PolarHBondContact O-N 3.27Å; Y7-T10 PolarHBondContact O-OG1 3.37Å; Y7-E11 HydrophobicContact CD1-CG 4.25Å; Y7-E11 HydrophobicContact CE1-CG 3.86Å; Y7-E11 PolarHBondContact O-N 3.45Å
8K84Confident84Confident124 Ų124119.2 Ų119.254%0.53959%0.585SS.*Hα-helixtrans-63.6-39.2175.3-74.8172.8-176.8164.30112E4 E5 Q12E4-K8 WeakPolarHBondContact O-CG 3.48Å; E4-K8 PolarHBondContact O-N 3.18Å; E4-K8 VanDerWaalsContact O-N 3.09Å; E4-K8 IonicContact OE1-NZ 3.39Å; E4-K8 PolarHBondContact OE1-NZ 3.17Å; E5-K8 PolarHBondContact O-N 2.92Å; K8-Q12 WeakPolarHBondContact O-CB 3.1Å; K8-Q12 PolarHBondContact O-N 3.28Å
9L81.2Confident84.5Confident100 Ų100119.5 Ų119.552%0.52458%0.583SS.*Hα-helixtrans-67.6-40.3177.5-167.269.9000112E5 C6 Y7 Q12 N13E5-L9 WeakPolarHBondContact O-CB 3.09Å; E5-L9 PolarHBondContact O-N 3.25Å; C6-L9 PolarHBondContact O-N 3.21Å; Y7-L9 VanDerWaalsContact C-N 3.34Å; Y7-L9 PolarHBondContact O-N 3.27Å; L9-Q12 PolarHBondContact O-N 3.4Å; L9-N13 WeakPolarHBondContact O-CB 3.47Å; L9-N13 PolarHBondContact O-N 3.48Å; L9-N13 PolarHBondContact O-ND2 2.77Å
10T82.9Confident85Confident69 Ų69117.4 Ų117.442%0.42358%0.576SS.*Hα-helixtrans-68.1-41.1176.553.40000111.9C6 Y7 Q12 N13 V14C6-T10 WeakPolarHBondContact O-CG2 2.91Å; C6-T10 PolarHBondContact O-N 3.19Å; C6-T10 PolarHBondContact O-OG1 3.38Å; Y7-T10 WeakPolarHBondContact CA-OG1 3.25Å; Y7-T10 PolarHBondContact O-N 3.27Å; Y7-T10 PolarHBondContact O-OG1 3.37Å; T10-Q12 PolarHBondContact O-N 3.27Å; T10-N13 PolarHBondContact O-N 3.47Å; T10-V14 VanDerWaalsContact O-CG2 3.26Å; T10-V14 WeakPolarHBondContact O-CG2 3.36Å; T10-V14 PolarHBondContact O-N 3.45Å
11E85.6Confident85.4Confident106 Ų106114.4 Ų114.450%0.49557%0.571SS.*Hα-helixtrans-61.2-44.3173.5-78-153136.700112.2Y7 N13 V14 V15Y7-E11 HydrophobicContact CD1-CG 4.25Å; Y7-E11 HydrophobicContact CE1-CG 3.86Å; Y7-E11 PolarHBondContact O-N 3.45Å; E11-N13 VanDerWaalsContact C-N 3.33Å; E11-N13 PolarHBondContact O-N 3.21Å; E11-V14 PolarHBondContact O-N 3.39Å; E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.41Å
12Q86.7Confident86.7Confident137 Ų137111.4 Ų111.464%0.6455%0.553SS**Hα-helixtrans-61.7-41.6177-172.5174.9-13.700111.7K8 L9 T10 V15 H16K8-Q12 WeakPolarHBondContact O-CB 3.1Å; K8-Q12 PolarHBondContact O-N 3.28Å; L9-Q12 PolarHBondContact O-N 3.4Å; T10-Q12 PolarHBondContact O-N 3.27Å; Q12-V15 PolarHBondContact O-N 3.49Å; Q12-H16 WeakPolarHBondContact O-CB 3.35Å; Q12-H16 PolarHBondContact O-N 3.03Å
13N88.2Confident87.7Confident87 Ų87113.9 Ų113.947%0.46555%0.548SS..Hα-helixtrans-65.1-40.9175.4-72.8-23.3000112L9 T10 E11 H16 M17L9-N13 WeakPolarHBondContact O-CB 3.47Å; L9-N13 PolarHBondContact O-N 3.48Å; L9-N13 PolarHBondContact O-ND2 2.77Å; T10-N13 PolarHBondContact O-N 3.47Å; E11-N13 VanDerWaalsContact C-N 3.33Å; E11-N13 PolarHBondContact O-N 3.21Å; N13-H16 PolarHBondContact O-N 2.86Å; N13-M17 WeakPolarHBondContact O-CB 3.21Å; N13-M17 WeakPolarHBondContact O-CG 3.46Å; N13-M17 PolarHBondContact O-N 3.45Å
14V89.1Confident88.4Confident71 Ų71107.4 Ų107.443%0.4354%0.535SS..Hα-helixtrans-63.8-42.5176.9170.50000111.1T10 E11 H16 M17 R18T10-V14 VanDerWaalsContact O-CG2 3.26Å; T10-V14 WeakPolarHBondContact O-CG2 3.36Å; T10-V14 PolarHBondContact O-N 3.45Å; E11-V14 PolarHBondContact O-N 3.39Å; V14-H16 VanDerWaalsContact C-N 3.35Å; V14-M17 PolarHBondContact O-N 3.27Å; V14-R18 WeakPolarHBondContact O-CB 3.48Å; V14-R18 VanDerWaalsContact O-CG 3.31Å; V14-R18 WeakPolarHBondContact O-CG 3.44Å; V14-R18 PolarHBondContact O-N 3.35Å
15V89.9Confident89.1Confident74 Ų74106.2 Ų106.245%0.44854%0.536SS..Hα-helixtrans-64.2-41175.8174.80000111E11 Q12 R18 K19E11-V15 WeakPolarHBondContact O-CG2 3.48Å; E11-V15 PolarHBondContact O-N 3.41Å; Q12-V15 PolarHBondContact O-N 3.49Å; V15-R18 PolarHBondContact O-N 3.13Å; V15-K19 WeakPolarHBondContact O-CG 3.3Å; V15-K19 PolarHBondContact O-N 3.48Å; V15-K19 VanDerWaalsContact O-N 3.09Å
16H89.4Confident89.9Confident124 Ų124102 Ų10257%0.57452%0.52SS*.Hα-helixtrans-64.6-46.6176.9-162.676.5000111.7Q12 N13 V14 R18 K19 V20Q12-H16 WeakPolarHBondContact O-CB 3.35Å; Q12-H16 PolarHBondContact O-N 3.03Å; N13-H16 PolarHBondContact O-N 2.86Å; V14-H16 VanDerWaalsContact C-N 3.35Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 3.13Å; H16-K19 PolarHBondContact O-N 3.19Å; H16-K19 VanDerWaalsContact O-N 3.15Å; H16-V20 WeakPolarHBondContact O-CG2 3.31Å; H16-V20 PolarHBondContact O-N 3.49Å
17M90.4Very high90.7Very high132 Ų132103.2 Ų103.265%0.6553%0.525SS*.Hα-helixtrans-61.8-38.7177.3-69.5-70.1-86.900112.1N13 V14 V20 A21N13-M17 WeakPolarHBondContact O-CB 3.21Å; N13-M17 WeakPolarHBondContact O-CG 3.46Å; N13-M17 PolarHBondContact O-N 3.45Å; V14-M17 PolarHBondContact O-N 3.27Å; M17-V20 PolarHBondContact O-N 2.74Å; M17-A21 WeakPolarHBondContact O-CB 3.3Å; M17-A21 PolarHBondContact O-N 2.9Å
18R93.3Very high91.3Very high184 Ų184100.6 Ų100.669%0.69453%0.525SS*.Hα-helixtrans-63.1-41.4173.9-76.7178.3179.6-176.11.6112.3V14 V15 H16 A21 F22V14-R18 WeakPolarHBondContact O-CB 3.48Å; V14-R18 VanDerWaalsContact O-CG 3.31Å; V14-R18 WeakPolarHBondContact O-CG 3.44Å; V14-R18 PolarHBondContact O-N 3.35Å; V15-R18 PolarHBondContact O-N 3.13Å; H16-R18 VanDerWaalsContact C-N 3.33Å; H16-R18 PolarHBondContact O-N 3.13Å; R18-A21 PolarHBondContact O-N 3.49Å; R18-F22 PolarHBondContact O-N 2.8Å
19K93.5Very high91.9Very high125 Ų12597.9 Ų97.954%0.54352%0.518SS..Hα-helixtrans-63.9-46.8175.4-72176.5-179.1-178.70111.1V15 H16 A21 F22 F23V15-K19 WeakPolarHBondContact O-CG 3.3Å; V15-K19 PolarHBondContact O-N 3.48Å; V15-K19 VanDerWaalsContact O-N 3.09Å; H16-K19 PolarHBondContact O-N 3.19Å; H16-K19 VanDerWaalsContact O-N 3.15Å; K19-A21 VanDerWaalsContact C-N 3.34Å; K19-A21 PolarHBondContact O-N 2.74Å; K19-F22 PolarHBondContact O-N 3.34Å; K19-F23 HydrophobicContact CB-CE2 4.46Å; K19-F23 WeakPolarHBondContact O-CD2 3.26Å; K19-F23 PolarHBondContact O-N 3.48Å
20V94.4Very high92.6Very high76 Ų7697.3 Ų97.346%0.46152%0.519SS..Hα-helixtrans-59.8-44.2177.4174.60000111.1H16 M17 F22 F23 A24H16-V20 WeakPolarHBondContact O-CG2 3.31Å; H16-V20 PolarHBondContact O-N 3.49Å; M17-V20 PolarHBondContact O-N 2.74Å; V20-F22 PolarHBondContact O-N 3.22Å; V20-F23 PolarHBondContact O-N 3.28Å; V20-A24 WeakPolarHBondContact O-CB 3.23Å; V20-A24 PolarHBondContact O-N 2.83Å
21A93.7Very high93.3Very high55 Ų5597.2 Ų97.246%0.45552%0.521SS..Hα-helixtrans-61.5-43.1176.300000112.2M17 R18 K19 A24 V25M17-A21 WeakPolarHBondContact O-CB 3.3Å; M17-A21 PolarHBondContact O-N 2.9Å; R18-A21 PolarHBondContact O-N 3.49Å; K19-A21 VanDerWaalsContact C-N 3.34Å; K19-A21 PolarHBondContact O-N 2.74Å; A21-A24 PolarHBondContact O-N 2.81Å; A21-V25 WeakPolarHBondContact O-CG2 3.34Å; A21-V25 PolarHBondContact O-N 3.34Å; A21-V25 VanDerWaalsContact O-N 3.08Å
22F95.6Very high93.8Very high138 Ų13896.6 Ų96.661%0.60553%0.525SS*.Hα-helixtrans-61.1-47.1175.5-179.1-97.7000111.9R18 K19 V20 A24 V25 V26R18-F22 PolarHBondContact O-N 2.8Å; K19-F22 PolarHBondContact O-N 3.34Å; V20-F22 PolarHBondContact O-N 3.22Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.32Å; F22-V25 PolarHBondContact O-N 2.88Å; F22-V26 HydrophobicContact CD1-CG2 4.14Å; F22-V26 HydrophobicContact CE1-CG2 3.74Å; F22-V26 HydrophobicContact CE2-CG2 4.31Å; F22-V26 HydrophobicContact CZ-CG2 3.83Å; F22-V26 WeakPolarHBondContact O-CG2 3.18Å; F22-V26 PolarHBondContact O-N 3.21Å
23F96.3Very high94.3Very high131 Ų13194.9 Ų94.958%0.57552%0.518SS*.Hα-helixtrans-61.5-40176.5-76.2-65000112.3K19 V20 V25 V26 V27K19-F23 HydrophobicContact CB-CE2 4.46Å; K19-F23 WeakPolarHBondContact O-CD2 3.26Å; K19-F23 PolarHBondContact O-N 3.48Å; V20-F23 PolarHBondContact O-N 3.28Å; F23-V25 VanDerWaalsContact C-N 3.35Å; F23-V25 PolarHBondContact O-N 2.9Å; F23-V26 PolarHBondContact O-N 3.42Å; F23-V27 WeakPolarHBondContact O-CB 3.28Å; F23-V27 VanDerWaalsContact O-CG2 3.29Å; F23-V27 WeakPolarHBondContact O-CG2 3.01Å; F23-V27 PolarHBondContact O-N 2.9Å
24A95.3Very high94.7Very high59 Ų5992.9 Ų92.949%0.48851%0.514SS..Hα-helixtrans-61.3-42176.900000112.2V20 A21 F22 S28V20-A24 WeakPolarHBondContact O-CB 3.23Å; V20-A24 PolarHBondContact O-N 2.83Å; A21-A24 PolarHBondContact O-N 2.81Å; F22-A24 VanDerWaalsContact C-N 3.33Å; F22-A24 PolarHBondContact O-N 3.32Å; A24-S28 VanDerWaalsContact O-CB 3.31Å; A24-S28 WeakPolarHBondContact O-CB 3.44Å; A24-S28 PolarHBondContact O-N 3.45Å
25V96.8Very high95Very high93 Ų9392.4 Ų92.456%0.56451%0.514SS*.Hα-helixtrans-66.3-43.2176.3174.50000111.2A21 F22 F23 S28 T29A21-V25 WeakPolarHBondContact O-CG2 3.34Å; A21-V25 PolarHBondContact O-N 3.34Å; A21-V25 VanDerWaalsContact O-N 3.08Å; F22-V25 PolarHBondContact O-N 2.88Å; F23-V25 VanDerWaalsContact C-N 3.35Å; F23-V25 PolarHBondContact O-N 2.9Å; V25-S28 PolarHBondContact O-N 2.91Å; V25-T29 HydrophobicContact CG1-CG2 4.39Å; V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 WeakPolarHBondContact O-CG2 3.32Å; V25-T29 PolarHBondContact O-N 3.38Å; V25-T29 PolarHBondContact O-OG1 3.48Å
26V97.1Very high95.3Very high55 Ų5592 Ų9233%0.33352%0.518SS..Hα-helixtrans-63.1-45.3177.4174.30000111.2F22 F23 S28 T29 V30F22-V26 HydrophobicContact CD1-CG2 4.14Å; F22-V26 HydrophobicContact CE1-CG2 3.74Å; F22-V26 HydrophobicContact CE2-CG2 4.31Å; F22-V26 HydrophobicContact CZ-CG2 3.83Å; F22-V26 WeakPolarHBondContact O-CG2 3.18Å; F22-V26 PolarHBondContact O-N 3.21Å; F23-V26 PolarHBondContact O-N 3.42Å; V26-S28 PolarHBondContact O-N 2.82Å; V26-T29 WeakPolarHBondContact CA-OG1 3.38Å; V26-T29 PolarHBondContact O-N 3.45Å; V26-T29 PolarHBondContact O-OG1 3.46Å; V26-V30 HydrophobicContact CG1-CG2 4.42Å; V26-V30 WeakPolarHBondContact O-CB 3.39Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.47Å; V26-V30 PolarHBondContact O-N 3.4Å
27V97.2Very high95.5Very high102 Ų10290.8 Ų90.862%0.61852%0.515SS*.Hα-helixtrans-64.5-41.4178.3172.60000111.3F23 S31F23-V27 WeakPolarHBondContact O-CB 3.28Å; F23-V27 VanDerWaalsContact O-CG2 3.29Å; F23-V27 WeakPolarHBondContact O-CG2 3.01Å; F23-V27 PolarHBondContact O-N 2.9Å; V27-S31 WeakPolarHBondContact O-CB 3.44Å; V27-S31 PolarHBondContact O-N 2.85Å
28S96.5Very high95.7Very high70 Ų7087.9 Ų87.949%0.4950%0.504SS..Hα-helixtrans-63.1-45.9177179.10000111.9A24 V25 V26 S31 V32A24-S28 VanDerWaalsContact O-CB 3.31Å; A24-S28 WeakPolarHBondContact O-CB 3.44Å; A24-S28 PolarHBondContact O-N 3.45Å; V25-S28 PolarHBondContact O-N 2.91Å; V26-S28 PolarHBondContact O-N 2.82Å; S28-S31 PolarHBondContact O-N 2.72Å; S28-V32 WeakPolarHBondContact O-CG2 3.35Å; S28-V32 PolarHBondContact O-N 3.48Å
29T97Very high95.8Very high67 Ų6784.9 Ų84.941%0.41150%0.501SS..Hα-helixtrans-65-4317949.70000112.3V25 V26 S31 V32 I33V25-T29 HydrophobicContact CG1-CG2 4.39Å; V25-T29 WeakPolarHBondContact O-CB 3.48Å; V25-T29 WeakPolarHBondContact O-CG2 3.32Å; V25-T29 PolarHBondContact O-N 3.38Å; V25-T29 PolarHBondContact O-OG1 3.48Å; V26-T29 WeakPolarHBondContact CA-OG1 3.38Å; V26-T29 PolarHBondContact O-N 3.45Å; V26-T29 PolarHBondContact O-OG1 3.46Å; T29-S31 VanDerWaalsContact C-N 3.33Å; T29-S31 PolarHBondContact O-N 3.25Å; T29-V32 PolarHBondContact O-N 2.88Å; T29-I33 VanDerWaalsContact O-CG1 3.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.48Å; T29-I33 PolarHBondContact O-N 2.79Å
30V96.9Very high95.9Very high89 Ų8982.5 Ų82.554%0.53950%0.499SS..Hα-helixtrans-62.1-41.5175172.90000111.3V26 I33 A34V26-V30 HydrophobicContact CG1-CG2 4.42Å; V26-V30 WeakPolarHBondContact O-CB 3.39Å; V26-V30 VanDerWaalsContact O-CG2 3.27Å; V26-V30 WeakPolarHBondContact O-CG2 3.47Å; V26-V30 PolarHBondContact O-N 3.4Å; V30-I33 PolarHBondContact O-N 3.45Å; V30-A34 WeakPolarHBondContact O-CB 3.27Å; V30-A34 PolarHBondContact O-N 3.17Å
31S96.2Very high95.9Very high66 Ų6684.4 Ų84.446%0.46251%0.506SS..Hα-helixtrans-61.4-45.2176.5-177.80000112V27 S28 T29 I33 A34 C35V27-S31 WeakPolarHBondContact O-CB 3.44Å; V27-S31 PolarHBondContact O-N 2.85Å; S28-S31 PolarHBondContact O-N 2.72Å; T29-S31 VanDerWaalsContact C-N 3.33Å; T29-S31 PolarHBondContact O-N 3.25Å; S31-I33 PolarHBondContact O-N 2.84Å; S31-A34 PolarHBondContact O-N 3.06Å; S31-C35 PolarHBondContact O-N 3.11Å; S31-C35 PolarHBondContact O-SG 2.98Å; S31-C35 VanDerWaalsContact O-SG 3.37Å
32V97Very high96Very high94 Ų9486 Ų8657%0.5751%0.509SS*.Hα-helixtrans-63.6-43.4177.6173.30000111.4S28 T29 C35 A36S28-V32 WeakPolarHBondContact O-CG2 3.35Å; S28-V32 PolarHBondContact O-N 3.48Å; T29-V32 PolarHBondContact O-N 2.88Å; V32-C35 PolarHBondContact O-N 2.9Å; V32-A36 WeakPolarHBondContact O-CB 3.46Å; V32-A36 PolarHBondContact O-N 3.42Å
33I96.1Very high96Very high100 Ų10087 Ų8751%0.51351%0.51SS..Hα-helixtrans-63.3-43.6177-66.7165.3000110.5T29 V30 S31 C35 A36 I37T29-I33 VanDerWaalsContact O-CG1 3.26Å; T29-I33 WeakPolarHBondContact O-CG1 3.48Å; T29-I33 PolarHBondContact O-N 2.79Å; V30-I33 PolarHBondContact O-N 3.45Å; S31-I33 PolarHBondContact O-N 2.84Å; I33-C35 PolarHBondContact O-N 3.39Å; I33-A36 PolarHBondContact O-N 2.79Å; I33-I37 HydrophobicContact CG2-CD1 3.8Å; I33-I37 WeakPolarHBondContact O-CG1 3.26Å; I33-I37 PolarHBondContact O-N 2.9Å
34A96.1Very high96Very high46 Ų4684 Ų8438%0.3851%0.505SS..Hα-helixtrans-60.9-45.117700000111.5V30 S31 I37 T38V30-A34 WeakPolarHBondContact O-CB 3.27Å; V30-A34 PolarHBondContact O-N 3.17Å; S31-A34 PolarHBondContact O-N 3.06Å; A34-I37 PolarHBondContact O-N 2.97Å; A34-T38 VanDerWaalsContact O-CB 3.3Å; A34-T38 WeakPolarHBondContact O-CB 3.46Å; A34-T38 VanDerWaalsContact O-CG2 3.23Å; A34-T38 WeakPolarHBondContact O-CG2 3.44Å; A34-T38 PolarHBondContact O-N 3.23Å; A34-T38 PolarHBondContact O-OG1 2.96Å
35C96Very high96Very high61 Ų6188.4 Ų88.441%0.41251%0.511SS..Hα-helixtrans-62.3-42.3174.7-720000112.2S31 V32 I33 I37 T38 L39S31-C35 PolarHBondContact O-N 3.11Å; S31-C35 PolarHBondContact O-SG 2.98Å; S31-C35 VanDerWaalsContact O-SG 3.37Å; V32-C35 PolarHBondContact O-N 2.9Å; I33-C35 PolarHBondContact O-N 3.39Å; C35-I37 VanDerWaalsContact C-N 3.26Å; C35-I37 PolarHBondContact O-N 3.33Å; C35-T38 WeakPolarHBondContact CA-OG1 3.4Å; C35-T38 PolarHBondContact O-N 3.06Å; C35-L39 WeakPolarHBondContact O-CB 3.38Å; C35-L39 VanDerWaalsContact O-CG 3.26Å; C35-L39 WeakPolarHBondContact O-CG 3.41Å; C35-L39 PolarHBondContact O-N 3.3Å
36A95.6Very high95.9Very high65 Ų6587.6 Ų87.654%0.53751%0.505SS..Hα-helixtrans-65-29.2-18000000113.1V32 I33 P40V32-A36 WeakPolarHBondContact O-CB 3.46Å; V32-A36 PolarHBondContact O-N 3.42Å; I33-A36 PolarHBondContact O-N 2.79Å; A36-P40 WeakPolarHBondContact O-CD 3.39Å; A36-P40 VanDerWaalsContact O-CG 3.27Å; A36-P40 WeakPolarHBondContact O-CG 3.38Å
37I94.8Very high95.8Very high99 Ų9990 Ų9051%0.50851%0.513SS..Hα-helixtrans-88-43.1177-63.9168.5000111.4I33 A34 C35 P40 L41I33-I37 HydrophobicContact CG2-CD1 3.8Å; I33-I37 WeakPolarHBondContact O-CG1 3.26Å; I33-I37 PolarHBondContact O-N 2.9Å; A34-I37 PolarHBondContact O-N 2.97Å; C35-I37 VanDerWaalsContact C-N 3.26Å; C35-I37 PolarHBondContact O-N 3.33Å; I37-P40 WeakPolarHBondContact O-CD 3.46Å; I37-L41 HydrophobicContact CG2-CD1 3.86Å; I37-L41 VanDerWaalsContact O-CG 3.31Å; I37-L41 WeakPolarHBondContact O-CG 3.48Å; I37-L41 PolarHBondContact O-N 3.24Å
38T95.1Very high95.6Very high71 Ų7189.1 Ų89.144%0.43651%0.508SS..Hα-helixtrans-72.6-38.8-17452.60000112.5A34 C35 L41 V42A34-T38 VanDerWaalsContact O-CB 3.3Å; A34-T38 WeakPolarHBondContact O-CB 3.46Å; A34-T38 VanDerWaalsContact O-CG2 3.23Å; A34-T38 WeakPolarHBondContact O-CG2 3.44Å; A34-T38 PolarHBondContact O-N 3.23Å; A34-T38 PolarHBondContact O-OG1 2.96Å; C35-T38 WeakPolarHBondContact CA-OG1 3.4Å; C35-T38 PolarHBondContact O-N 3.06Å; T38-L41 PolarHBondContact O-N 2.78Å; T38-V42 WeakPolarHBondContact O-CB 3.44Å; T38-V42 VanDerWaalsContact O-CG2 3.24Å; T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 2.96Å
39L95.2Very high95.6Very high120 Ų12089.6 Ų89.663%0.62851%0.505SS*.Hα-helixtrans-62.4-47.5-177.5-69.1172.2000112.9C35 L41 V42 Y43C35-L39 WeakPolarHBondContact O-CB 3.38Å; C35-L39 VanDerWaalsContact O-CG 3.26Å; C35-L39 WeakPolarHBondContact O-CG 3.41Å; C35-L39 PolarHBondContact O-N 3.3Å; L39-L41 PolarHBondContact O-N 3.35Å; L39-V42 PolarHBondContact O-N 3.45Å; L39-Y43 VanDerWaalsContact O-CB 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.45Å; L39-Y43 PolarHBondContact O-N 3.3Å
40P95.2Very high95.4Very high75 Ų7592.2 Ų92.249%0.48751%0.512SS..Hα-helixtrans-65.1-37.2175.6-23.335.2000113.5A36 I37 Y43 S44A36-P40 WeakPolarHBondContact O-CD 3.39Å; A36-P40 VanDerWaalsContact O-CG 3.27Å; A36-P40 WeakPolarHBondContact O-CG 3.38Å; I37-P40 WeakPolarHBondContact O-CD 3.46Å; P40-Y43 PolarHBondContact O-N 3.45Å; P40-S44 WeakPolarHBondContact O-CB 3.4Å; P40-S44 PolarHBondContact O-N 3.46Å
41L94.9Very high95.3Very high116 Ų11690.6 Ų90.661%0.60751%0.505SS*.Hα-helixtrans-65.2-45.5177.4-72.2174.5000111.6I37 T38 L39 Y43 S44 Y45I37-L41 HydrophobicContact CG2-CD1 3.86Å; I37-L41 VanDerWaalsContact O-CG 3.31Å; I37-L41 WeakPolarHBondContact O-CG 3.48Å; I37-L41 PolarHBondContact O-N 3.24Å; T38-L41 PolarHBondContact O-N 2.78Å; L39-L41 PolarHBondContact O-N 3.35Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-S44 PolarHBondContact O-N 3.36Å; L41-Y45 WeakPolarHBondContact O-CB 3.5Å; L41-Y45 PolarHBondContact O-N 2.67Å
42V95.6Very high95.1Very high88 Ų8892.7 Ų92.753%0.53351%0.507SS..Hα-helixtrans-63.5-43.1175.7172.80000110.2T38 L39 Y45 V46T38-V42 WeakPolarHBondContact O-CB 3.44Å; T38-V42 VanDerWaalsContact O-CG2 3.24Å; T38-V42 WeakPolarHBondContact O-CG2 3.48Å; T38-V42 PolarHBondContact O-N 2.96Å; L39-V42 PolarHBondContact O-N 3.45Å; V42-Y45 PolarHBondContact O-N 3.43Å; V42-V46 HydrophobicContact CG1-CG2 4.24Å; V42-V46 WeakPolarHBondContact O-CB 3.43Å; V42-V46 VanDerWaalsContact O-CG2 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.23Å; V42-V46 PolarHBondContact O-N 3.22Å
43Y95Very high95Very high160 Ų16094.1 Ų94.163%0.62751%0.509SS*.Hα-helixtrans-60-49.1176.5-177.7-96.7000112.1L39 P40 L41 Y45 V46 Q47L39-Y43 VanDerWaalsContact O-CB 3.3Å; L39-Y43 WeakPolarHBondContact O-CB 3.45Å; L39-Y43 PolarHBondContact O-N 3.3Å; P40-Y43 PolarHBondContact O-N 3.45Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; Y43-Y45 VanDerWaalsContact C-N 3.3Å; Y43-Y45 PolarHBondContact O-N 2.85Å; Y43-V46 PolarHBondContact O-N 2.95Å; Y43-Q47 VanDerWaalsContact CE1-OE1 3.23Å; Y43-Q47 WeakPolarHBondContact O-CB 3.45Å; Y43-Q47 PolarHBondContact O-N 3.35Å
44S95.7Very high94.9Very high67 Ų6793.7 Ų93.747%0.46951%0.508SS..Hα-helixtrans-60.6-39.3177.2-174.30000112.1P40 L41 T48P40-S44 WeakPolarHBondContact O-CB 3.4Å; P40-S44 PolarHBondContact O-N 3.46Å; L41-S44 PolarHBondContact O-N 3.36Å; S44-T48 WeakPolarHBondContact O-CB 3.25Å; S44-T48 PolarHBondContact O-N 3.06Å; S44-T48 PolarHBondContact O-OG1 3.42Å
45Y95.2Very high94.7Very high153 Ų15396.7 Ų96.760%0.652%0.517SS*.Hα-helixtrans-67.9-46.6178.3-176.3-106.3000111.7L41 V42 Y43 Q47 T48 L49L41-Y45 WeakPolarHBondContact O-CB 3.5Å; L41-Y45 PolarHBondContact O-N 2.67Å; V42-Y45 PolarHBondContact O-N 3.43Å; Y43-Y45 VanDerWaalsContact C-N 3.3Å; Y43-Y45 PolarHBondContact O-N 2.85Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Y45-Q47 PolarHBondContact O-N 3.2Å; Y45-T48 PolarHBondContact O-N 3.15Å; Y45-L49 HydrophobicContact CD1-CD1 3.72Å; Y45-L49 HydrophobicContact CD1-CG 4.37Å; Y45-L49 HydrophobicContact CE1-CD1 3.22Å; Y45-L49 HydrophobicContact CE1-CG 4.03Å; Y45-L49 HydrophobicContact CE2-CD1 4.48Å; Y45-L49 HydrophobicContact CE2-CG 4.46Å; Y45-L49 WeakPolarHBondContact O-CG 3.4Å; Y45-L49 PolarHBondContact O-N 2.89Å
46V95.4Very high94.6Very high75 Ų7598.7 Ų98.746%0.45552%0.521SS..Hα-helixtrans-62.2-42.1176.8172.10000110.9V42 Y43 T48 L49 Q50V42-V46 HydrophobicContact CG1-CG2 4.24Å; V42-V46 WeakPolarHBondContact O-CB 3.43Å; V42-V46 VanDerWaalsContact O-CG2 3.27Å; V42-V46 WeakPolarHBondContact O-CG2 3.23Å; V42-V46 PolarHBondContact O-N 3.22Å; Y43-V46 PolarHBondContact O-N 2.95Å; V46-T48 PolarHBondContact O-N 2.87Å; V46-L49 PolarHBondContact O-N 2.9Å; V46-Q50 VanDerWaalsContact O-CB 3.31Å; V46-Q50 WeakPolarHBondContact O-CB 3.28Å; V46-Q50 PolarHBondContact O-N 3.01Å
47Q94Very high94.6Very high107 Ų10798.9 Ų98.950%0.552%0.515SS..Hα-helixtrans-64-40.8177.2-171.1175.8-5.600111.9Y43 Y45 Q50 S51Y43-Q47 VanDerWaalsContact CE1-OE1 3.23Å; Y43-Q47 WeakPolarHBondContact O-CB 3.45Å; Y43-Q47 PolarHBondContact O-N 3.35Å; Y45-Q47 VanDerWaalsContact C-N 3.34Å; Y45-Q47 PolarHBondContact O-N 3.2Å; Q47-Q50 PolarHBondContact O-N 3.14Å; Q47-S51 PolarHBondContact O-N 3.37Å
48T94.8Very high94.5Very high83 Ų8398.1 Ų98.151%0.50951%0.512SS..Hα-helixtrans-63.8-47.5175.7-55.30000110.8S44 Y45 V46 Q50 S51 H52S44-T48 WeakPolarHBondContact O-CB 3.25Å; S44-T48 PolarHBondContact O-N 3.06Å; S44-T48 PolarHBondContact O-OG1 3.42Å; Y45-T48 PolarHBondContact O-N 3.15Å; V46-T48 PolarHBondContact O-N 2.87Å; T48-Q50 VanDerWaalsContact C-N 3.35Å; T48-Q50 PolarHBondContact O-N 3.4Å; T48-S51 PolarHBondContact O-N 3.27Å; T48-S51 PolarHBondContact O-OG 3.44Å; T48-H52 PolarHBondContact O-N 2.9Å
49L94.9Very high94.3Very high80 Ų80100.4 Ų100.442%0.41952%0.516SS..Hα-helixtrans-59.8-44.1175.8-76.9177.6000112.1Y45 V46 S51 H52 M53Y45-L49 HydrophobicContact CD1-CD1 3.72Å; Y45-L49 HydrophobicContact CD1-CG 4.37Å; Y45-L49 HydrophobicContact CE1-CD1 3.22Å; Y45-L49 HydrophobicContact CE1-CG 4.03Å; Y45-L49 HydrophobicContact CE2-CD1 4.48Å; Y45-L49 HydrophobicContact CE2-CG 4.46Å; Y45-L49 WeakPolarHBondContact O-CG 3.4Å; Y45-L49 PolarHBondContact O-N 2.89Å; V46-L49 PolarHBondContact O-N 2.9Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.42Å; L49-H52 PolarHBondContact O-N 2.98Å; L49-M53 WeakPolarHBondContact O-CB 3.34Å; L49-M53 VanDerWaalsContact O-CG 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.37Å; L49-M53 PolarHBondContact O-N 3.29Å
50Q94Very high94.2Very high121 Ų12198.3 Ų98.357%0.56551%0.51SS*.Hα-helixtrans-61.5-42.5178-175.3176.6-20.800111.1V46 Q47 T48 M53 L54V46-Q50 VanDerWaalsContact O-CB 3.31Å; V46-Q50 WeakPolarHBondContact O-CB 3.28Å; V46-Q50 PolarHBondContact O-N 3.01Å; Q47-Q50 PolarHBondContact O-N 3.14Å; T48-Q50 VanDerWaalsContact C-N 3.35Å; T48-Q50 PolarHBondContact O-N 3.4Å; Q50-M53 PolarHBondContact O-N 3.03Å; Q50-L54 HydrophobicContact CG-CD1 4.11Å; Q50-L54 WeakPolarHBondContact O-CB 3.3Å; Q50-L54 VanDerWaalsContact O-CG 3.28Å; Q50-L54 WeakPolarHBondContact O-CG 3.46Å; Q50-L54 PolarHBondContact O-N 2.87Å
51S93.3Very high94.1Very high56 Ų56100.9 Ų100.939%0.39251%0.514SS..Hα-helixtrans-64.7-40.7176.771.50000112.7Q47 T48 L49 L54 N55Q47-S51 PolarHBondContact O-N 3.37Å; T48-S51 PolarHBondContact O-N 3.27Å; T48-S51 PolarHBondContact O-OG 3.44Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.42Å; S51-L54 PolarHBondContact O-N 3.35Å; S51-N55 WeakPolarHBondContact O-CB 3.35Å; S51-N55 VanDerWaalsContact O-CG 3.23Å; S51-N55 PolarHBondContact O-N 3.01Å; S51-N55 PolarHBondContact O-ND2 2.89Å
52H93.3Very high93.9Very high109 Ų109100.6 Ų100.651%0.50551%0.511SS..Hα-helixtrans-65.2-44.9177-169.5-69.2000111.3T48 L49 L54 N55 E56T48-H52 PolarHBondContact O-N 2.9Å; L49-H52 PolarHBondContact O-N 2.98Å; H52-L54 PolarHBondContact O-N 3.31Å; H52-N55 PolarHBondContact O-N 3.49Å; H52-E56 IonicContact CE1-OE1 3.3Å; H52-E56 WeakPolarHBondContact O-CG 3.46Å; H52-E56 PolarHBondContact O-N 3.05Å
53M93.7Very high93.7Very high124 Ų124104.7 Ų104.761%0.61152%0.517SS*.Hα-helixtrans-63.9-40178.3-69-67.4-71.500111.9L49 Q50 V57L49-M53 WeakPolarHBondContact O-CB 3.34Å; L49-M53 VanDerWaalsContact O-CG 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.37Å; L49-M53 PolarHBondContact O-N 3.29Å; Q50-M53 PolarHBondContact O-N 3.03Å; M53-V57 WeakPolarHBondContact O-CB 3.31Å; M53-V57 VanDerWaalsContact O-CG2 3.25Å; M53-V57 WeakPolarHBondContact O-CG2 3.31Å; M53-V57 PolarHBondContact O-N 3.4Å
54L93.8Very high93.5Very high92 Ų92100 Ų10048%0.48251%0.505SS..Hα-helixtrans-64.6-44.8175.8-73.5170.1000111.6Q50 S51 H52 E56 V57 D58Q50-L54 HydrophobicContact CG-CD1 4.11Å; Q50-L54 WeakPolarHBondContact O-CB 3.3Å; Q50-L54 VanDerWaalsContact O-CG 3.28Å; Q50-L54 WeakPolarHBondContact O-CG 3.46Å; Q50-L54 PolarHBondContact O-N 2.87Å; S51-L54 PolarHBondContact O-N 3.35Å; H52-L54 PolarHBondContact O-N 3.31Å; L54-E56 PolarHBondContact O-N 3.42Å; L54-V57 PolarHBondContact O-N 2.79Å; L54-D58 WeakPolarHBondContact O-CB 3.49Å; L54-D58 PolarHBondContact O-N 2.89Å
55N94Very high93.4Very high109 Ų109104.7 Ų104.758%0.58351%0.512SS*.Hα-helixtrans-60.2-42.5177.4-72.7-20.8000112.6S51 H52 D58 F59S51-N55 WeakPolarHBondContact O-CB 3.35Å; S51-N55 VanDerWaalsContact O-CG 3.23Å; S51-N55 PolarHBondContact O-N 3.01Å; S51-N55 PolarHBondContact O-ND2 2.89Å; H52-N55 PolarHBondContact O-N 3.49Å; N55-D58 PolarHBondContact O-N 3.36Å; N55-F59 WeakPolarHBondContact O-CB 3.07Å; N55-F59 PolarHBondContact O-N 3.5Å
56E93.3Very high93.1Very high103 Ų103101.5 Ų101.548%0.48151%0.505SS..Hα-helixtrans-65.6-40.4176.6-72-63.4157.300112.2H52 L54 F59 C60H52-E56 IonicContact CE1-OE1 3.3Å; H52-E56 WeakPolarHBondContact O-CG 3.46Å; H52-E56 PolarHBondContact O-N 3.05Å; L54-E56 PolarHBondContact O-N 3.42Å; E56-F59 PolarHBondContact O-N 3.32Å; E56-C60 WeakPolarHBondContact O-CB 3.27Å; E56-C60 PolarHBondContact O-N 2.88Å
57V94.3Very high92.8Very high68 Ų68103.3 Ų103.341%0.41251%0.51SS..Hα-helixtrans-64.3-42.7175.51690000110.9M53 L54 C60 K61M53-V57 WeakPolarHBondContact O-CB 3.31Å; M53-V57 VanDerWaalsContact O-CG2 3.25Å; M53-V57 WeakPolarHBondContact O-CG2 3.31Å; M53-V57 PolarHBondContact O-N 3.4Å; L54-V57 PolarHBondContact O-N 2.79Å; V57-C60 PolarHBondContact O-N 3.23Å; V57-K61 HydrophobicContact CG1-CD 4.33Å; V57-K61 WeakPolarHBondContact O-CG 3.24Å; V57-K61 PolarHBondContact O-N 2.98Å
58D92.7Very high92.5Very high83 Ų83105 Ų10544%0.44451%0.512SS..Hα-helixtrans-68-37.4178.6-71.9-25.4000112L54 N55 C60 K61 M62L54-D58 WeakPolarHBondContact O-CB 3.49Å; L54-D58 PolarHBondContact O-N 2.89Å; N55-D58 PolarHBondContact O-N 3.36Å; D58-C60 PolarHBondContact O-N 2.92Å; D58-K61 PolarHBondContact O-N 3.29Å; D58-K61 IonicContact OD1-NZ 3.52Å; D58-M62 WeakPolarHBondContact O-CB 3.41Å; D58-M62 PolarHBondContact O-N 3.28Å
59F92.6Very high92.1Very high119 Ų119102.5 Ų102.552%0.52250%0.503SS..Hα-helixtrans-60.1-45.2171-179.6-101.5000111.8N55 E56 M62 R63N55-F59 WeakPolarHBondContact O-CB 3.07Å; N55-F59 PolarHBondContact O-N 3.5Å; E56-F59 PolarHBondContact O-N 3.32Å; F59-M62 PolarHBondContact O-N 3.44Å; F59-R63 PolarHBondContact O-N 3Å
60C91.3Very high91.8Very high76 Ų76104.9 Ų104.951%0.51451%0.512SS..Hα-helixtrans-63.5-42.1177.3-170.70000112.3E56 V57 D58 R63 T64E56-C60 WeakPolarHBondContact O-CB 3.27Å; E56-C60 PolarHBondContact O-N 2.88Å; V57-C60 PolarHBondContact O-N 3.23Å; D58-C60 PolarHBondContact O-N 2.92Å; C60-R63 PolarHBondContact O-N 3.36Å; C60-T64 WeakPolarHBondContact O-CB 3.26Å; C60-T64 PolarHBondContact O-N 2.74Å; C60-T64 PolarHBondContact O-OG1 3.05Å
61K93.9Very high91.3Very high130 Ų130101.7 Ų101.757%0.56550%0.501SS*.Hα-helixtrans-61.9-45.2174.3-75.4175.8-177169.70111.9V57 D58 T64 R65V57-K61 HydrophobicContact CG1-CD 4.33Å; V57-K61 WeakPolarHBondContact O-CG 3.24Å; V57-K61 PolarHBondContact O-N 2.98Å; D58-K61 PolarHBondContact O-N 3.29Å; D58-K61 IonicContact OD1-NZ 3.52Å; K61-T64 PolarHBondContact O-N 3.27Å; K61-R65 WeakPolarHBondContact O-CB 3.5Å; K61-R65 PolarHBondContact O-N 3.01Å
62M91.6Very high90.9Very high109 Ų109103.8 Ų103.854%0.53751%0.506SS..Hα-helixtrans-60-49.4178.3-174.5120.172.800111.1D58 F59 T64 R65 D66D58-M62 WeakPolarHBondContact O-CB 3.41Å; D58-M62 PolarHBondContact O-N 3.28Å; F59-M62 PolarHBondContact O-N 3.44Å; M62-T64 VanDerWaalsContact C-N 3.29Å; M62-T64 PolarHBondContact O-N 3.48Å; M62-R65 WeakPolarHBondContact O-CB 3.27Å; M62-R65 PolarHBondContact O-N 3.48Å; M62-R65 VanDerWaalsContact O-N 3.14Å; M62-D66 PolarHBondContact O-N 3.48Å
63R91Very high90.4Very high175 Ų175102.4 Ų102.466%0.6651%0.506SS*.Hα-helixtrans-61.4-38.6178.5-166.1177.5-170.7120.41.6112.4F59 C60 M67F59-R63 PolarHBondContact O-N 3Å; C60-R63 PolarHBondContact O-N 3.36Å; R63-M67 WeakPolarHBondContact O-CB 3.23Å; R63-M67 PolarHBondContact O-N 2.97Å
64T91.5Very high89.8Confident61 Ų61102.2 Ų102.237%0.37451%0.507SS..Hα-helixtrans-64.9-44.2175.5-58.50000111C60 K61 M62 M67 W68C60-T64 WeakPolarHBondContact O-CB 3.26Å; C60-T64 PolarHBondContact O-N 2.74Å; C60-T64 PolarHBondContact O-OG1 3.05Å; K61-T64 PolarHBondContact O-N 3.27Å; M62-T64 VanDerWaalsContact C-N 3.29Å; M62-T64 PolarHBondContact O-N 3.48Å; T64-M67 PolarHBondContact O-N 3.41Å; T64-W68 WeakPolarHBondContact O-CB 3.38Å; T64-W68 VanDerWaalsContact O-CD1 3.23Å; T64-W68 PolarHBondContact O-N 2.97Å
65R91.8Very high89.2Confident166 Ų166105.1 Ų105.163%0.62652%0.518SS*.Hα-helixtrans-61.9-43.9177.6-171.8-167.967.9143.74.1112K61 M62 W68 G69K61-R65 WeakPolarHBondContact O-CB 3.5Å; K61-R65 PolarHBondContact O-N 3.01Å; M62-R65 WeakPolarHBondContact O-CB 3.27Å; M62-R65 PolarHBondContact O-N 3.48Å; M62-R65 VanDerWaalsContact O-N 3.14Å; R65-W68 PolarHBondContact O-N 2.72Å; R65-G69 PolarHBondContact O-N 3.24Å
66D90.1Very high88.5Confident86 Ų86103.8 Ų103.846%0.4652%0.522SS..Hα-helixtrans-66.1-43.2179.2-68.1-2.4000111M62 W68 G69 E70M62-D66 PolarHBondContact O-N 3.48Å; D66-W68 VanDerWaalsContact C-N 3.33Å; D66-W68 PolarHBondContact O-N 3.44Å; D66-G69 PolarHBondContact O-N 2.98Å; D66-G69 VanDerWaalsContact O-N 3.15Å; D66-E70 PolarHBondContact O-N 2.83Å
67M88.2Confident87.7Confident113 Ų113102 Ų10256%0.55752%0.521SS*.Hα-helixtrans-59.8-42.4173.2-173.4-172.174.800112R63 T64 G69 E70 V71R63-M67 WeakPolarHBondContact O-CB 3.23Å; R63-M67 PolarHBondContact O-N 2.97Å; T64-M67 PolarHBondContact O-N 3.41Å; M67-G69 VanDerWaalsContact C-N 3.34Å; M67-E70 PolarHBondContact O-N 2.91Å; M67-V71 WeakPolarHBondContact O-CG2 3.26Å; M67-V71 PolarHBondContact O-N 3.29Å
68W88.9Confident86.8Confident142 Ų142105.2 Ų105.254%0.53853%0.529SS..Hα-helixtrans-66.7-34.1175.6-89.7100.1000112.6T64 R65 D66 V71 I72T64-W68 WeakPolarHBondContact O-CB 3.38Å; T64-W68 VanDerWaalsContact O-CD1 3.23Å; T64-W68 PolarHBondContact O-N 2.97Å; R65-W68 PolarHBondContact O-N 2.72Å; D66-W68 VanDerWaalsContact C-N 3.33Å; D66-W68 PolarHBondContact O-N 3.44Å; W68-V71 PolarHBondContact O-N 3.24Å; W68-I72 VanDerWaalsContact O-CG1 3.26Å; W68-I72 WeakPolarHBondContact O-CG1 3.36Å; W68-I72 PolarHBondContact O-N 2.88Å
69G87.1Confident85.8Confident31 Ų31107 Ų10732%0.3255%0.545SS..Hα-helixtrans-59-47.517200000111.9R65 D66 M67 V71 I72 T73R65-G69 PolarHBondContact O-N 3.24Å; D66-G69 PolarHBondContact O-N 2.98Å; D66-G69 VanDerWaalsContact O-N 3.15Å; M67-G69 VanDerWaalsContact C-N 3.34Å; G69-V71 PolarHBondContact O-N 3.45Å; G69-I72 PolarHBondContact O-N 3.44Å; G69-T73 WeakPolarHBondContact O-CG2 3.34Å; G69-T73 PolarHBondContact O-N 3.34Å; G69-T73 PolarHBondContact O-OG1 2.9Å
70E86.9Confident84.9Confident130 Ų130103.3 Ų103.361%0.60753%0.533SS*.Hα-helixtrans-59.8-43.7173.5-69.3-67146.500111.6D66 M67 I72 T73 L74D66-E70 PolarHBondContact O-N 2.83Å; M67-E70 PolarHBondContact O-N 2.91Å; E70-I72 PolarHBondContact O-N 3.39Å; E70-T73 WeakPolarHBondContact CA-OG1 3.33Å; E70-T73 PolarHBondContact O-N 3.46Å; E70-T73 PolarHBondContact O-OG1 3.3Å; E70-L74 WeakPolarHBondContact O-CB 3.34Å; E70-L74 VanDerWaalsContact O-CG 3.27Å; E70-L74 WeakPolarHBondContact O-CG 3.49Å; E70-L74 PolarHBondContact O-N 3.37Å
71V84.1Confident84.2Confident54 Ų54102.9 Ų102.933%0.32753%0.529SS..Hα-helixtrans-63-42.6176.9173.20000112.1M67 W68 G69 L74 Q75M67-V71 WeakPolarHBondContact O-CG2 3.26Å; M67-V71 PolarHBondContact O-N 3.29Å; W68-V71 PolarHBondContact O-N 3.24Å; G69-V71 PolarHBondContact O-N 3.45Å; V71-L74 PolarHBondContact O-N 2.95Å; V71-Q75 HydrophobicContact CG1-CG 4.49Å; V71-Q75 WeakPolarHBondContact O-CG 3.3Å; V71-Q75 PolarHBondContact O-N 2.86Å
72I84.4Confident83.5Confident99 Ų99105.2 Ų105.251%0.50853%0.534SS..Hα-helixtrans-65-42.6178.4-69.2165.4000110.6W68 G69 E70 L74 Q75 A76W68-I72 VanDerWaalsContact O-CG1 3.26Å; W68-I72 WeakPolarHBondContact O-CG1 3.36Å; W68-I72 PolarHBondContact O-N 2.88Å; G69-I72 PolarHBondContact O-N 3.44Å; E70-I72 PolarHBondContact O-N 3.39Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.37Å; I72-Q75 PolarHBondContact O-N 3.4Å; I72-A76 WeakPolarHBondContact O-CB 3.36Å; I72-A76 PolarHBondContact O-N 2.88Å
73T84Confident82.8Confident81 Ų81106.6 Ų106.650%0.49754%0.539SS..Hα-helixtrans-63-38.8175.959.80000111.7G69 E70 A76 S77G69-T73 WeakPolarHBondContact O-CG2 3.34Å; G69-T73 PolarHBondContact O-N 3.34Å; G69-T73 PolarHBondContact O-OG1 2.9Å; E70-T73 WeakPolarHBondContact CA-OG1 3.33Å; E70-T73 PolarHBondContact O-N 3.46Å; E70-T73 PolarHBondContact O-OG1 3.3Å; T73-A76 PolarHBondContact O-N 3.38Å; T73-S77 PolarHBondContact O-N 3.47Å
74L81.4Confident82.2Confident119 Ų119104.2 Ų104.262%0.62353%0.53SS*.Hα-helixtrans-64.3-39.5173-71.1171.5000112.3E70 V71 I72 S77E70-L74 WeakPolarHBondContact O-CB 3.34Å; E70-L74 VanDerWaalsContact O-CG 3.27Å; E70-L74 WeakPolarHBondContact O-CG 3.49Å; E70-L74 PolarHBondContact O-N 3.37Å; V71-L74 PolarHBondContact O-N 2.95Å; I72-L74 VanDerWaalsContact C-N 3.31Å; I72-L74 PolarHBondContact O-N 3.37Å; L74-S77 PolarHBondContact O-N 2.88Å; L74-S77 PolarHBondContact O-OG 3.43Å
75Q80Confident81.7Confident153 Ų153108.1 Ų108.172%0.71554%0.538SS*.Hα-helixtrans-71.6-34176.7-73.5-167.4-39.900113.4V71 I72 S77V71-Q75 HydrophobicContact CG1-CG 4.49Å; V71-Q75 WeakPolarHBondContact O-CG 3.3Å; V71-Q75 PolarHBondContact O-N 2.86Å; I72-Q75 PolarHBondContact O-N 3.4Å; Q75-S77 VanDerWaalsContact C-N 3.3Å
76A80.7Confident81.2Confident81 Ų81105 Ų10567%0.66953%0.53SS*.Hα-helixtrans-74.4-23.2174.900000112.3I72 T73 K78I72-A76 WeakPolarHBondContact O-CB 3.36Å; I72-A76 PolarHBondContact O-N 2.88Å; T73-A76 PolarHBondContact O-N 3.38Å; A76-K78 PolarHBondContact O-N 3.36Å
77S76.1Confident80.7Confident66 Ų66105.5 Ų105.546%0.46253%0.526SS..SBendtrans-64.3125.9173.581.90000109.7T73 L74 Q75T73-S77 PolarHBondContact O-N 3.47Å; L74-S77 PolarHBondContact O-N 2.88Å; L74-S77 PolarHBondContact O-OG 3.43Å; Q75-S77 VanDerWaalsContact C-N 3.3Å
78K73.9Confident80.4Confident136 Ų136103.6 Ų103.659%0.59152%0.518SS*.  trans-58.3135.5177.8-70.8172.9-178.6161.90108.6A76 V80 Y114A76-K78 PolarHBondContact O-N 3.36Å; K78-V80 PolarHBondContact O-N 3.49Å; K78-Y114 HydrophobicContact CD-CE2 4.49Å; K78-Y114 VanDerWaalsContact CD-OH 3.3Å; K78-Y114 WeakPolarHBondContact CD-OH 3.26Å; K78-Y114 VanDerWaalsContact CE-OH 3.28Å; K78-Y114 WeakPolarHBondContact CE-OH 3.41Å; K78-Y114 PolarHBondContact NZ-OH 2.99Å
79P72.6Confident80Confident120 Ų120102.6 Ų102.678%0.77952%0.517SS*.  trans-56.2112.9177.822.8-32.5000108.4P81P79-P81 WeakPolarHBondContact O-CD 3.27Å
80V72.6Confident79.6Confident42 Ų42102.5 Ų102.526%0.25552%0.516SS..  trans-66.2119-179.3-179.70000107.1K78 R84 R85K78-V80 PolarHBondContact O-N 3.49Å; V80-R84 HydrophobicContact CG1-CB 3.6Å; V80-R84 HydrophobicContact CG1-CG 3.71Å; V80-R85 HydrophobicContact CB-CG 3.81Å; V80-R85 HydrophobicContact CG1-CB 4.43Å; V80-R85 HydrophobicContact CG1-CG 3.56Å; V80-R85 PolarHBondContact O-NH1 3.05Å
81P78Confident79.2Confident67 Ų67101.1 Ų101.144%0.43551%0.51SS..  trans-58.2147179.320-28.5000109.4P79 Q83 R84 R85P79-P81 WeakPolarHBondContact O-CD 3.27Å; P81-Q83 PolarHBondContact O-N 2.9Å; P81-Q83 VanDerWaalsContact O-N 3.11Å; P81-R84 HydrophobicContact CG-CB 3.95Å; P81-R84 WeakPolarHBondContact O-CA 3.41Å; P81-R84 PolarHBondContact O-N 3.32Å; P81-R85 PolarHBondContact O-N 3.41Å
82R78Confident79Confident178 Ų178106.4 Ų106.467%0.67252%0.524SS*.Hα-helixtrans-50.6-42.3-173.8-178.3178.2171.4177-1.2112.3R84 R85 E86R82-R84 VanDerWaalsContact C-N 3.35Å; R82-R84 PolarHBondContact O-N 3.05Å; R82-R85 WeakPolarHBondContact O-CB 3.36Å; R82-R85 PolarHBondContact O-N 3.47Å; R82-R85 VanDerWaalsContact O-N 3.17Å; R82-E86 HydrophobicContact CG-CG 4.46Å; R82-E86 WeakPolarHBondContact CG-OE1 3.33Å; R82-E86 IonicContact CZ-OE1 2.79Å; R82-E86 IonicContact NE-OE1 3.92Å; R82-E86 PolarHBondContact NE-OE1 2.68Å; R82-E86 IonicContact NH2-OE1 3.64Å; R82-E86 PolarHBondContact NH2-OE1 3.5Å; R82-E86 WeakPolarHBondContact O-CG 3.49Å; R82-E86 PolarHBondContact O-N 3.25Å
83Q78.1Confident78.5Confident139 Ų139104.9 Ų104.965%0.6552%0.516SS*.Hα-helixtrans-58.7-40.4175.6-77.3167.8-30.400113.4P81 E86 W87P81-Q83 PolarHBondContact O-N 2.9Å; P81-Q83 VanDerWaalsContact O-N 3.11Å; Q83-E86 PolarHBondContact O-N 3.49Å; Q83-W87 VanDerWaalsContact O-CB 3.31Å; Q83-W87 WeakPolarHBondContact O-CB 3.31Å; Q83-W87 PolarHBondContact O-N 2.85Å
84R79Confident78Confident124 Ų124107.2 Ų107.247%0.46852%0.521SS..Hα-helixtrans-72.8-33.1177.5-173.1174.3-157.5-123.48.5111.6V80 P81 R82 L88V80-R84 HydrophobicContact CG1-CB 3.6Å; V80-R84 HydrophobicContact CG1-CG 3.71Å; P81-R84 HydrophobicContact CG-CB 3.95Å; P81-R84 WeakPolarHBondContact O-CA 3.41Å; P81-R84 PolarHBondContact O-N 3.32Å; R82-R84 VanDerWaalsContact C-N 3.35Å; R82-R84 PolarHBondContact O-N 3.05Å; R84-L88 HydrophobicContact CG-CD1 4.2Å; R84-L88 HydrophobicContact CG-CG 4.47Å; R84-L88 WeakPolarHBondContact O-CB 3.29Å; R84-L88 VanDerWaalsContact O-CG 3.3Å; R84-L88 WeakPolarHBondContact O-CG 3.48Å; R84-L88 PolarHBondContact O-N 3.36Å
85R79.4Confident77.6Confident143 Ų143105.5 Ų105.554%0.5452%0.524SS..Hα-helixtrans-64.4-45.8171-73.8-164.8-68.4-108.70111.5V80 P81 R82 W87 L88 F89V80-R85 HydrophobicContact CB-CG 3.81Å; V80-R85 HydrophobicContact CG1-CB 4.43Å; V80-R85 HydrophobicContact CG1-CG 3.56Å; V80-R85 PolarHBondContact O-NH1 3.05Å; P81-R85 PolarHBondContact O-N 3.41Å; R82-R85 WeakPolarHBondContact O-CB 3.36Å; R82-R85 PolarHBondContact O-N 3.47Å; R82-R85 VanDerWaalsContact O-N 3.17Å; R85-W87 VanDerWaalsContact C-N 3.34Å; R85-L88 PolarHBondContact O-N 2.9Å; R85-F89 WeakPolarHBondContact O-CB 3.39Å; R85-F89 PolarHBondContact O-N 2.93Å
86E81.7Confident77.1Confident100 Ų100101.1 Ų101.147%0.46751%0.514SS..Hα-helixtrans-64.4-39.8177.5-72.1168.8177.900111.2R82 Q83 F89 G90R82-E86 HydrophobicContact CG-CG 4.46Å; R82-E86 WeakPolarHBondContact CG-OE1 3.33Å; R82-E86 IonicContact CZ-OE1 2.79Å; R82-E86 IonicContact NE-OE1 3.92Å; R82-E86 PolarHBondContact NE-OE1 2.68Å; R82-E86 IonicContact NH2-OE1 3.64Å; R82-E86 PolarHBondContact NH2-OE1 3.5Å; R82-E86 WeakPolarHBondContact O-CG 3.49Å; R82-E86 PolarHBondContact O-N 3.25Å; Q83-E86 PolarHBondContact O-N 3.49Å; E86-F89 PolarHBondContact O-N 3.48Å; E86-G90 PolarHBondContact O-N 3.37Å
87W80.3Confident76.3Confident97 Ų97103.2 Ų103.237%0.36751%0.51SS..Hα-helixtrans-64.8-48.3174.4-176.488.6000112.5Q83 R85 F89 G90 Q91Q83-W87 VanDerWaalsContact O-CB 3.31Å; Q83-W87 WeakPolarHBondContact O-CB 3.31Å; Q83-W87 PolarHBondContact O-N 2.85Å; R85-W87 VanDerWaalsContact C-N 3.34Å; W87-F89 VanDerWaalsContact C-N 3.32Å; W87-F89 PolarHBondContact O-N 3.33Å; W87-G90 PolarHBondContact O-N 3.48Å; W87-Q91 PolarHBondContact O-N 3.3Å
88L81.2Confident75.2Confident73 Ų73102.8 Ų102.838%0.38252%0.516SS..Hα-helixtrans-63.1-38.7176.3-75.7169.7000111.7R84 R85 Q91 W92R84-L88 HydrophobicContact CG-CD1 4.2Å; R84-L88 HydrophobicContact CG-CG 4.47Å; R84-L88 WeakPolarHBondContact O-CB 3.29Å; R84-L88 VanDerWaalsContact O-CG 3.3Å; R84-L88 WeakPolarHBondContact O-CG 3.48Å; R84-L88 PolarHBondContact O-N 3.36Å; R85-L88 PolarHBondContact O-N 2.9Å; L88-Q91 PolarHBondContact O-N 3.45Å; L88-W92 WeakPolarHBondContact O-CB 3.46Å; L88-W92 PolarHBondContact O-N 3.19Å
89F79.8Confident73.9Confident121 Ų121102.8 Ų102.853%0.53153%0.527SS..Hα-helixtrans-65.9-40.8174.9-173.6-97.9000111.3R85 E86 W87 W92 M93R85-F89 WeakPolarHBondContact O-CB 3.39Å; R85-F89 PolarHBondContact O-N 2.93Å; E86-F89 PolarHBondContact O-N 3.48Å; W87-F89 VanDerWaalsContact C-N 3.32Å; W87-F89 PolarHBondContact O-N 3.33Å; F89-W92 HydrophobicContact CD2-CE3 4.41Å; F89-W92 HydrophobicContact CE2-CE3 4.15Å; F89-W92 HydrophobicContact CE2-CZ3 4.23Å; F89-W92 PolarHBondContact O-N 2.88Å; F89-M93 HydrophobicContact CD1-CG 3.91Å; F89-M93 HydrophobicContact CE1-CG 3.55Å; F89-M93 HydrophobicContact CE1-SD 4.08Å; F89-M93 HydrophobicContact CE2-CG 4.5Å; F89-M93 HydrophobicContact CZ-CG 3.88Å; F89-M93 HydrophobicContact CZ-SD 3.96Å; F89-M93 WeakPolarHBondContact O-CB 3.41Å; F89-M93 VanDerWaalsContact O-CG 3.23Å; F89-M93 WeakPolarHBondContact O-CG 3.06Å; F89-M93 PolarHBondContact O-N 3.32Å
90G79.9Confident72.6Confident29 Ų29106.1 Ų106.130%0.29953%0.532SS..Hα-helixtrans-59.4-44.9172.300000112E86 W87 M93 E94E86-G90 PolarHBondContact O-N 3.37Å; W87-G90 PolarHBondContact O-N 3.48Å; G90-M93 PolarHBondContact O-N 3.39Å; G90-E94 WeakPolarHBondContact O-CB 3.44Å; G90-E94 WeakPolarHBondContact O-CG 3.36Å; G90-E94 PolarHBondContact O-N 3.46Å
91Q78.2Confident71.1Confident101 Ų101115.6 Ų115.647%0.47256%0.564SS.*Hα-helixtrans-66.8-38.2177.5-149.4-165.79.100112.5W87 L88 E94 A95W87-Q91 PolarHBondContact O-N 3.3Å; L88-Q91 PolarHBondContact O-N 3.45Å; Q91-E94 PolarHBondContact O-N 2.97Å; Q91-A95 WeakPolarHBondContact O-CB 3.39Å; Q91-A95 PolarHBondContact O-N 3.31Å
92W80Confident69.4Low165 Ų165123.6 Ų123.663%0.62559%0.587SS**Hα-helixtrans-67.3-40.7174.4-179.881.5000111.7L88 F89 A95 A96L88-W92 WeakPolarHBondContact O-CB 3.46Å; L88-W92 PolarHBondContact O-N 3.19Å; F89-W92 HydrophobicContact CD2-CE3 4.41Å; F89-W92 HydrophobicContact CE2-CE3 4.15Å; F89-W92 HydrophobicContact CE2-CZ3 4.23Å; F89-W92 PolarHBondContact O-N 2.88Å; W92-A95 PolarHBondContact O-N 2.99Å; W92-A96 VanDerWaalsContact O-CB 3.26Å; W92-A96 WeakPolarHBondContact O-CB 3.38Å; W92-A96 PolarHBondContact O-N 3.33Å
93M73.8Confident67.9Low67 Ų67118.7 Ų118.733%0.3359%0.591SS.*Hα-helixtrans-63.4-41.9172.8-75-74.2-71.400111.1F89 G90 A95 A96 H97F89-M93 HydrophobicContact CD1-CG 3.91Å; F89-M93 HydrophobicContact CE1-CG 3.55Å; F89-M93 HydrophobicContact CE1-SD 4.08Å; F89-M93 HydrophobicContact CE2-CG 4.5Å; F89-M93 HydrophobicContact CZ-CG 3.88Å; F89-M93 HydrophobicContact CZ-SD 3.96Å; F89-M93 WeakPolarHBondContact O-CB 3.41Å; F89-M93 VanDerWaalsContact O-CG 3.23Å; F89-M93 WeakPolarHBondContact O-CG 3.06Å; F89-M93 PolarHBondContact O-N 3.32Å; G90-M93 PolarHBondContact O-N 3.39Å; M93-A95 VanDerWaalsContact C-N 3.33Å; M93-A95 PolarHBondContact O-N 2.99Å; M93-A96 PolarHBondContact O-N 3.37Å; M93-H97 WeakPolarHBondContact O-CA 3.48Å; M93-H97 WeakPolarHBondContact O-CB 3.31Å; M93-H97 PolarHBondContact O-CD2 3.5Å; M93-H97 VanDerWaalsContact O-CD2 3.22Å; M93-H97 PolarHBondContact O-N 2.99Å
94E73.1Confident66.5Low131 Ų131116 Ų11661%0.61259%0.593SS**Hα-helixtrans-64.7-35.8174.1-79.5174.4173.600112.6G90 Q91 H97G90-E94 WeakPolarHBondContact O-CB 3.44Å; G90-E94 WeakPolarHBondContact O-CG 3.36Å; G90-E94 PolarHBondContact O-N 3.46Å; Q91-E94 PolarHBondContact O-N 2.97Å; E94-H97 CarbonylContact O-C 3.36Å; E94-H97 VanDerWaalsContact O-O 3.11Å
95A73.7Confident65.1Low82 Ų82116.4 Ų116.468%0.67861%0.611SS**Hα-helixtrans-71.8-37174.800000112.4Q91 W92 M93Q91-A95 WeakPolarHBondContact O-CB 3.39Å; Q91-A95 PolarHBondContact O-N 3.31Å; W92-A95 PolarHBondContact O-N 2.99Å; M93-A95 VanDerWaalsContact C-N 3.33Å; M93-A95 PolarHBondContact O-N 2.99Å
96A70.1Confident64Low62 Ų62116.4 Ų116.451%0.51262%0.622SS.*Hα-helixtrans-76-36.7177.500000112.1W92 M93 G98W92-A96 VanDerWaalsContact O-CB 3.26Å; W92-A96 WeakPolarHBondContact O-CB 3.38Å; W92-A96 PolarHBondContact O-N 3.33Å; M93-A96 PolarHBondContact O-N 3.37Å; A96-G98 PolarHBondContact O-N 3.14Å
97H62.4Low62.8Low125 Ų125116.3 Ų116.358%0.57963%0.632SS**THydrogen-bonded Turntrans-101.172.2175.3-63.8-79.5000109.1M93 E94 T99M93-H97 WeakPolarHBondContact O-CA 3.48Å; M93-H97 WeakPolarHBondContact O-CB 3.31Å; M93-H97 PolarHBondContact O-CD2 3.5Å; M93-H97 VanDerWaalsContact O-CD2 3.22Å; M93-H97 PolarHBondContact O-N 2.99Å; E94-H97 CarbonylContact O-C 3.36Å; E94-H97 VanDerWaalsContact O-O 3.11Å; H97-T99 PolarHBondContact O-N 3.5Å
98G53.4Low61.8Low57 Ų57116.3 Ų116.359%0.58865%0.645SS**THydrogen-bonded Turntrans-39.9108.817700000112.1A96A96-G98 PolarHBondContact O-N 3.14Å
99T47.1Very low60.7Low135 Ų135115.8 Ų115.883%0.82865%0.646SS**  trans55.189.2163.952.90000116.8H97H97-T99 PolarHBondContact O-N 3.5Å
100Q45.6Very low59.8Low190 Ų190115.9 Ų115.989%0.88866%0.658SS**  trans-154.894.6146-116.6176.6-1.900113.4
101R41.2Very low58.5Low242 Ų242122.5 Ų122.591%0.91368%0.681SS**  trans5.4108.7157-65.6-170.7175.5-172.1-0.4117.8
102Y40.9Very low57.1Low235 Ų235122.1 Ų122.192%0.92269%0.687SS**  trans-154.5115.6138.1-94.5-79.4000110
103G46.5Very low55.2Low74 Ų74119.7 Ų119.776%0.76370%0.696SS**SBendtrans87130.1164.100000115.6
104A48.8Very low53.7Low84 Ų84123.1 Ų123.169%0.69471%0.706SS**  trans-52.2151.3-179.900000113.2L106A104-L106 PolarHBondContact O-N 3.01Å
105P49.7Very low51.9Low131 Ų131123 Ų12385%0.85171%0.714SS**  trans-58.9106.317523.7-31.1000108.5S107P105-S107 PolarHBondContact O-N 2.89Å
106L56.2Low50.2Low144 Ų144124.9 Ų124.975%0.75472%0.717SS**  trans-58.8113.7168.4-76.2160.9000105.8A104A104-L106 PolarHBondContact O-N 3.01Å
107S57.3Low48.6Very low98 Ų98129.2 Ų129.269%0.68573%0.732SS**  trans-44.3139.3173.644.80000109.6P105P105-S107 PolarHBondContact O-N 2.89Å
108P59.1Low47.2Very low97 Ų97132.1 Ų132.163%0.6375%0.746SS**PPolyproline II helixtrans-52.4133179.822.4-32.6000108.9
109P58.6Low46.4Very low62 Ų62132.9 Ų132.940%0.40375%0.754SS.*PPolyproline II helixtrans-58.1139.1176.623.4-31.7000108.8E111P109-E111 PolarHBondContact O-N 2.91Å
110P59.5Low45.7Very low122 Ų122130.1 Ų130.179%0.79275%0.751SS**PPolyproline II helixtrans-56.7134178.622.5-31.7000109.8
111E52.2Low44.9Very low168 Ų168132.8 Ų132.879%0.78576%0.755SS**PPolyproline II helixtrans-60.6129.6178.2-70.1-167.6150.900109.8P109 S113P109-E111 PolarHBondContact O-N 2.91Å; E111-S113 PolarHBondContact O-N 3.47Å; E111-S113 VanDerWaalsContact O-N 3.13Å
112P50.7Low44.6Very low93 Ų93124.6 Ų124.660%0.60475%0.746SS**  trans-67.1115.2171.225.1-29.8000108.7Y114P112-Y114 WeakPolarHBondContact O-CD1 3.39Å; P112-Y114 VanDerWaalsContact O-CE1 3.25Å; P112-Y114 WeakPolarHBondContact O-CE1 3.19Å; P112-Y114 PolarHBondContact O-N 3.4Å; P112-Y114 VanDerWaalsContact O-N 3.13Å
113S38.3Very low44.2Very low115 Ų115122.4 Ų122.480%0.80474%0.744SS**  trans-70.899.6169.356.60000109.2E111 T115E111-S113 PolarHBondContact O-N 3.47Å; E111-S113 VanDerWaalsContact O-N 3.13Å; S113-T115 PolarHBondContact O-N 2.88Å
114Y43.3Very low43.9Very low139 Ų139124.6 Ų124.655%0.54575%0.745SS.*  trans-86.8104.516736.7-84.1000108.7K78 P112 V116K78-Y114 HydrophobicContact CD-CE2 4.49Å; K78-Y114 VanDerWaalsContact CD-OH 3.3Å; K78-Y114 WeakPolarHBondContact CD-OH 3.26Å; K78-Y114 VanDerWaalsContact CE-OH 3.28Å; K78-Y114 WeakPolarHBondContact CE-OH 3.41Å; K78-Y114 PolarHBondContact NZ-OH 2.99Å; P112-Y114 WeakPolarHBondContact O-CD1 3.39Å; P112-Y114 VanDerWaalsContact O-CE1 3.25Å; P112-Y114 WeakPolarHBondContact O-CE1 3.19Å; P112-Y114 PolarHBondContact O-N 3.4Å; P112-Y114 VanDerWaalsContact O-N 3.13Å; Y114-V116 PolarHBondContact O-N 2.96Å
115T36.1Very low43.1Very low127 Ų127125.8 Ų125.878%0.77974%0.744SS**  trans-66.8110.9156.643.30000107.7S113 N117S113-T115 PolarHBondContact O-N 2.88Å; T115-N117 PolarHBondContact O-N 3.4Å
116V36.7Very low42.5Very low123 Ų123126 Ų12675%0.74574%0.742SS**  trans-66.297.9171.41740000107.6Y114 Q118Y114-V116 PolarHBondContact O-N 2.96Å; V116-Q118 PolarHBondContact O-N 2.92Å
117N36.9Very low41.4Very low152 Ų152122.9 Ų122.981%0.81374%0.738SS**  trans-79.9115.2165.4-119-22.1000107.5T115 G119T115-N117 PolarHBondContact O-N 3.4Å; N117-G119 PolarHBondContact O-N 2.97Å
118Q33.5Very low40.5Very low187 Ų187124 Ų12487%0.87474%0.743SS**  trans-65.6113.9171.6-69.7-177.7-1.200108.6V116V116-Q118 PolarHBondContact O-N 2.92Å
119G36.4Very low39.5Very low73 Ų73125.4 Ų125.475%0.75376%0.755SS**  trans130128.4164.500000114.3N117N117-G119 PolarHBondContact O-N 2.97Å
120G33.1Very low38.5Very low76 Ų76131.3 Ų131.378%0.78478%0.777SS**  trans102.2106.7153.900000115.3
121Y28.8Very low37.6Very low247 Ų247131 Ų13197%0.96978%0.775SS**  trans-45.2132163.7-64-94.5000112.4
122G34.2Very low36.6Very low70 Ų70126 Ų12672%0.72277%0.768SS**  trans179.592.4170.400000113.3
123Q31.3Very low35.7Very low188 Ų188132.6 Ų132.688%0.87978%0.783SS**  trans-64.7152.3159.1-88.5-178.3-69.600109.9
124P40.4Very low35.4Very low120 Ų120129.9 Ų129.978%0.77977%0.773SS**  -131.3111.5128.311.79.8000113.4
125T32.1Very low35Very low109 Ų109132.9 Ų132.967%0.66979%0.792SS**  18.6128.5121.5150000120.8
126V37.9Very low35Very low135 Ų135135.6 Ų135.682%0.81880%0.798SS**  trans75.8144.1133.5179.90000117.5
127A32.7Very low35.1Very low80 Ų80135.3 Ų135.366%0.66180%0.798SS**  cis-177.7-160.7-25.500000105.2
128P39.2Very low34.9Very low122 Ų122132.9 Ų132.979%0.79279%0.793SS**  -119.8165.3-105.735.7-16.4000113.9
129S38Very low35Very low126 Ų126130.5 Ų130.588%0.88179%0.792SS**  trans-161.1104.6155.3310000111.3
130Q36.3Very low35.2Very low185 Ų185132 Ų13286%0.86479%0.791SS**  trans-85.2161149.3-94.1-153.6-34.100107.5
131P40.6Very low35.4Very low116 Ų116136.4 Ų136.475%0.75380%0.795SS**  -160.3165.265.938.4-14.9000120
132G31.5Very low35.9Very low62 Ų62130 Ų13064%0.63978%0.784SS**  trans86.9149.7137.800000118.2
133Y31.6Very low35.9Very low233 Ų233131.2 Ų131.291%0.91479%0.787SS**  cis-172.5161.8-8.3-96.8-75.8000105.8
134G32.9Very low36.2Very low58 Ų58127.1 Ų127.160%0.59879%0.786SS**  trans11391.4159.500000112.9
135E33.9Very low35.8Very low202 Ų202129.1 Ų129.194%0.94479%0.789SS**  109.6122.371.1-96.2174101.600110.3
136M36.6Very low36.5Very low184 Ų184129.7 Ų129.791%0.90680%0.795SS**  trans-77.3175.6-177.5-53.6169.3-174.200111.4
137P39Very low36.1Very low116 Ų116128.8 Ų128.875%0.75379%0.79SS**  -153.2139.28037.5-15.9000117.6
138S32.2Very low36.2Very low101 Ų101131.5 Ų131.571%0.70680%0.797SS**  trans42.9121.7133.565.40000122.4
139T37.5Very low36Very low138 Ų138131 Ų13185%0.84779%0.792SS**  -158.8114128.3-70000113.9
140S40.4Very low35.7Very low105 Ų105132.6 Ų132.673%0.73479%0.789SS**  trans47.9100.4144.558.60000123.8
141L36.1Very low35.6Very low167 Ų167129.6 Ų129.687%0.87478%0.783SS**  8.2166.6118.7-78.1161.6000120.8
142P40.2Very low35.2Very low113 Ų113132.9 Ų132.973%0.73479%0.789SS**  cis-142.81659.225.60.7000119.6
143A34.4Very low35.2Very low95 Ų95138.3 Ų138.379%0.78580%0.797SS**  trans49.8122.4134.100000123.4
144A37.8Very low35.2Very low102 Ų102134 Ų13484%0.84380%0.8SS**  -172.9114.611700000111.6
145L31.7Very low35.2Very low163 Ų163140.2 Ų140.285%0.85381%0.811SS**  trans-106.4155.1156.1-76166.2000107.4
146P45.9Very low35.1Very low121 Ų121135.9 Ų135.979%0.78680%0.798SS**  trans-102.6112.3146.731.4-21000109.9
147T30.6Very low35.1Very low116 Ų116134.2 Ų134.271%0.71279%0.792SS**  trans-64.9123.8158.4-56.70000108.6T149T147-T149 PolarHBondContact O-N 2.77Å
148V34.4Very low35.2Very low136 Ų136135.9 Ų135.982%0.82479%0.794SS**  trans-89.5103.7167.91770000108.2
149T34.5Very low35.4Very low111 Ų111140.3 Ų140.368%0.68180%0.804SS**  trans-75.4122.7175.7-20.30000109.6T147 V151T147-T149 PolarHBondContact O-N 2.77Å; T149-V151 PolarHBondContact O-N 2.75Å
150I32.1Very low35.4Very low161 Ų161137 Ų13783%0.82680%0.797SS**  trans-70109.2168.8-59.4169.6000107Q152I150-Q152 PolarHBondContact O-N 3.21Å
151V34.9Very low35.1Very low122 Ų122138 Ų13874%0.73980%0.799SS**  trans-83.9106.7172.31790000108.7T149T149-V151 PolarHBondContact O-N 2.75Å
152Q30.3Very low35Very low185 Ų185135.9 Ų135.986%0.86479%0.792SS**  trans-79.4104.4164.9175.7172.5-37.700108.4I150I150-Q152 PolarHBondContact O-N 3.21Å
153E32.6Very low34.6Very low175 Ų175142.1 Ų142.182%0.81880%0.801SS**  trans-165.5104.9161.2-115.9170.5-162.100111.5
154C31.9Very low34.8Very low144 Ų144142.6 Ų142.697%0.97380%0.795SS**  trans-158.474.7149.1-113.90000108.4
155K32.4Very low34.6Very low188 Ų188142.6 Ų142.682%0.81780%0.795SS**  trans-94.9115.1170.8-160.2177.7-175.7177.40107.3
156T32.2Very low34.7Very low110 Ų110139.1 Ų139.168%0.67578%0.783SS**  trans45.2118148.3620000119.2
157N35.9Very low34.2Very low149 Ų149138.1 Ų138.180%0.79778%0.784SS**  -176.7157123.3-108.7-59.4000114
158L40.7Very low34.3Very low151 Ų151141.7 Ų141.779%0.79179%0.79SS**  trans93.385.5163.2-9471.2000119.9
159H36.9Very low34.4Very low195 Ų195141.4 Ų141.490%0.90379%0.789SS**  28106.9115.4-90.9-133000116.9
160G37.7Very low34.4Very low69 Ų69141.5 Ų141.571%0.71179%0.794SS**  trans-170.578.6172.400000111.5V162G160-V162 PolarHBondContact O-N 3.41Å
161T34.5Very low34.4Very low126 Ų126137.3 Ų137.377%0.77379%0.79SS**  trans-55.598.1177.9-35.30000111.4
162V34.1Very low34.3Very low121 Ų121136.6 Ų136.673%0.73379%0.789SS**  trans-129.898.5163.3174.90000107.5G160 V164G160-V162 PolarHBondContact O-N 3.41Å; V162-V164 HydrophobicContact CG1-CG2 3.74Å; V162-V164 PolarHBondContact O-N 3.45Å
163W31.2Very low34.1Very low244 Ų244134.3 Ų134.392%0.92479%0.788SS**  trans-69.185166.1-82.276.4000108.4
164V38.3Very low34.1Very low106 Ų106129.3 Ų129.364%0.64277%0.772SS**  trans-97.2113.2155.1170.30000105.7V162 C166V162-V164 HydrophobicContact CG1-CG2 3.74Å; V162-V164 PolarHBondContact O-N 3.45Å; V164-C166 PolarHBondContact O-N 3.31Å
165A34.3Very low34.2Very low102 Ų102131.2 Ų131.284%0.84377%0.766SS**  trans-63.577.7172.800000109.7
166C32.3Very low34.2Very low90 Ų90129.4 Ų129.461%0.60876%0.761SS**  trans-90.9108160.6-93.50000106.6V164 F168V164-C166 PolarHBondContact O-N 3.31Å; C166-F168 HydrophobicContact CB-CD2 4.15Å; C166-F168 PolarHBondContact O-N 2.99Å
167A35.9Very low34.2Very low99 Ų99127.1 Ų127.182%0.81876%0.759SS**  trans-62.677.1162.700000109.3V169A167-V169 PolarHBondContact O-N 3.23Å
168F32.5Very low34Very low191 Ų191126 Ų12684%0.83876%0.759SS**  trans-90.186.3163.7-104.6-93.7000107.1C166 S170C166-F168 HydrophobicContact CB-CD2 4.15Å; C166-F168 PolarHBondContact O-N 2.99Å; F168-S170 PolarHBondContact O-N 3.48Å
169V37.8Very low33.7Very low131 Ų131124.2 Ų124.279%0.79476%0.757SS**  trans-64.3116.3163.51750000107.1A167 G171A167-V169 PolarHBondContact O-N 3.23Å; V169-G171 PolarHBondContact O-N 3.26Å; V169-G171 VanDerWaalsContact O-N 3.14Å
170S33.8Very low33.5Very low113 Ų113117.6 Ų117.679%0.7974%0.742SS**  trans-30.5104.8170.3-158.40000113.6F168F168-S170 PolarHBondContact O-N 3.48Å
171G31.1Very low33.3Very low72 Ų72120.3 Ų120.374%0.74275%0.747SS**  trans-101.4105.417700000111V169 T173V169-G171 PolarHBondContact O-N 3.26Å; V169-G171 VanDerWaalsContact O-N 3.14Å; G171-T173 PolarHBondContact O-N 3.08Å
172C33.1Very low33.3Very low107 Ų107119.3 Ų119.372%0.72374%0.743SS**  trans-55.7129.6179.1-65.20000113.4C174C172-C174 PolarHBondContact O-N 3.33Å; C172-C174 PolarHBondContact O-SG 3.41Å
173T27.5Very low33.2Very low137 Ų137116.3 Ų116.384%0.8474%0.736SS**  trans-56.3116.2166.747.20000111.2G171G171-T173 PolarHBondContact O-N 3.08Å
174C31.6Very low33.5Very low71 Ų71110.7 Ų110.748%0.4873%0.731SS.*  trans-124.3110.5173.1-57.70000108.9C172 Q176 R258C172-C174 PolarHBondContact O-N 3.33Å; C172-C174 PolarHBondContact O-SG 3.41Å; C174-Q176 PolarHBondContact O-N 3.33Å; C174-R258 PolarHBondContact SG-NH1 2.92Å
175H34.9Very low33.4Very low184 Ų184111.3 Ų111.385%0.85274%0.737SS**PPolyproline II helixtrans-60.5125.2176.8-77.3-82.6000111.5
176Q31.7Very low33.4Very low150 Ų150108.6 Ų108.670%0.70172%0.719SS**PPolyproline II helixtrans-68.7134.7165.3-96.5171.75.200109.4C174C174-Q176 PolarHBondContact O-N 3.33Å
177G33.2Very low33.8Very low61 Ų61113.4 Ų113.463%0.62973%0.733SS**PPolyproline II helixtrans-66.3156.1168.300000111.2
178P31.9Very low33.9Very low125 Ų125113 Ų11381%0.81272%0.717SS**PPolyproline II helixtrans-64.2143.1-175.226.2-33.3000111.3
179P34.2Very low34.1Very low115 Ų115106 Ų10675%0.74770%0.699SS**PPolyproline II helixtrans-53.2146.1171.5-25.734.5000112.2
180G32.6Very low34.3Very low56 Ų56107.7 Ų107.758%0.57770%0.704SS**PPolyproline II helixtrans-62.6157.5174.300000112
181P32.3Very low34.7Very low125 Ų125106.3 Ų106.381%0.81269%0.687SS**PPolyproline II helixtrans-65.6142.2-177.426.7-33.6000111.4
182P34.9Very low35.1Very low106 Ų106104.9 Ų104.969%0.68867%0.672SS**PPolyproline II helixtrans-55.1146.9173.3-25.834.6000112.4
183G33.1Very low35.5Very low58 Ų58111.6 Ų111.660%0.59868%0.682SS**PPolyproline II helixtrans-63.2161174.400000112.9
184P35.7Very low36.1Very low126 Ų126109.1 Ų109.182%0.81866%0.664SS**PPolyproline II helixtrans-62.5143.5179.426.6-33.5000111.3
185P36.7Very low36.4Very low118 Ų118107.2 Ų107.277%0.76666%0.657SS**PPolyproline II helixtrans-57.5143.9172.3-23.233.8000111.8
186G34.9Very low36.6Very low46 Ų46107.8 Ų107.847%0.47466%0.66SS.*PPolyproline II helixtrans-64.1152.8175.100000112.4
187E41.4Very low36.9Very low191 Ų191105 Ų10589%0.89366%0.657SS**PPolyproline II helixtrans-61139.1176.5-63.1179.316200110.7
188D38.1Very low37Very low90 Ų90104.5 Ų104.548%0.48165%0.652SS.*PPolyproline II helixtrans-67.8140.5179-61.4-27.3000110.9K243D188-K243 HydrophobicContact CB-CD 4.36Å; D188-K243 VanDerWaalsContact CG-NZ 3.35Å; D188-K243 IonicContact OD2-NZ 2.79Å; D188-K243 PolarHBondContact OD2-NZ 3.43Å
189G36Very low37.4Very low45 Ų45108 Ų10846%0.46466%0.657SS.*PPolyproline II helixtrans-63.4148.3174.300000113.2K243G189-K243 WeakPolarHBondContact O-CE 3.5Å
190D42.2Very low37.6Very low166 Ų166108.2 Ų108.289%0.88865%0.653SS**PPolyproline II helixtrans-58.8144.1174.1-71.7-48.2000111.7
191D41.3Very low37.6Very low83 Ų83107.9 Ų107.944%0.44465%0.649SS.*PPolyproline II helixtrans-69.2144.3179.3-57.2-27.2000112.2K240 K243D191-K240 HydrophobicContact CB-CD 4.43Å; D191-K240 VanDerWaalsContact CG-NZ 3.33Å; D191-K240 IonicContact OD2-NZ 2.74Å; D191-K240 PolarHBondContact OD2-NZ 2.96Å; D191-K243 WeakPolarHBondContact OD1-CG 3.39Å
192G39.5Very low37.9Very low42 Ų42111 Ų11143%0.43365%0.652SS.*PPolyproline II helixtrans-62.2152.1174.700000113.8K240G192-K240 WeakPolarHBondContact O-CE 3.42Å
193R42.1Very low38.1Very low248 Ų248110 Ų11094%0.93665%0.646SS**PPolyproline II helixtrans-67.3145.9176.2-62.6-178.1-172.3-174.22.4110.9
194D40.4Very low38.2Very low85 Ų85109.8 Ų109.846%0.45564%0.644SS.*PPolyproline II helixtrans-63146.5174.4-58.7-18.4000111.7K237D194-K237 IonicContact OD2-NZ 2.77Å; D194-K237 PolarHBondContact OD2-NZ 3.45Å
195G37Very low38.5Very low32 Ų32113.2 Ų113.233%0.3365%0.649SS.*PPolyproline II helixtrans-69.6155.2172.100000113.3K237G195-K237 WeakPolarHBondContact O-CE 3.48Å
196E40.6Very low38.6Very low195 Ų195114.4 Ų114.491%0.91165%0.645SS**PPolyproline II helixtrans-65.2147.4174.1-64-176.9142.500111.3
197S37.9Very low38.7Very low92 Ų92115.2 Ų115.264%0.64365%0.653SS**PPolyproline II helixtrans-68.9138.7174.343.70000111.2
198G35.3Very low38.8Very low51 Ų51117.4 Ų117.453%0.52665%0.653SS.*PPolyproline II helixtrans-66.2155.1175.800000113.4
199E40Very low38.8Very low197 Ų197118.3 Ų118.392%0.92166%0.657SS**PPolyproline II helixtrans-63.8150.3178.3-70-176.6114.200112.7
200N38.3Very low39.2Very low121 Ų121123.2 Ų123.265%0.64767%0.672SS**PPolyproline II helixtrans-68.2142.4176.3-64.3-27.6000111.2A234N200-A234 WeakPolarHBondContact OD1-CB 3.47Å
201G32.3Very low39.5Very low48 Ų48120.5 Ų120.550%0.49566%0.663SS.*PPolyproline II helixtrans-67.4151.4174.300000113.3
202Q38.6Very low40Very low190 Ų190122.3 Ų122.389%0.88868%0.679SS**PPolyproline II helixtrans-67.4144.6177.2-74.5178.7-38.500112.1
203P39.8Very low40.5Very low85 Ų85130.4 Ų130.455%0.55271%0.706SS**PPolyproline II helixtrans-60.4150.3173-20.631.6000113.2P231P203-P231 HydrophobicContact CG-CG 4.45Å
204G34.7Very low41.2Very low55 Ų55121 Ų12157%0.56769%0.686SS**PPolyproline II helixtrans-66.8155.4175.800000113.4
205Q40.7Very low41.7Very low198 Ų198122.4 Ų122.493%0.92570%0.7SS**PPolyproline II helixtrans-72.7147.8179.7-66.7-178.94.200112.2
206E40.2Very low42.5Very low142 Ų142127.4 Ų127.466%0.66473%0.726SS**PPolyproline II helixtrans-65.3133.6-179.4-164.6172.4-16200112.1R208E206-R208 PolarHBondContact O-N 2.96Å
207G35.9Very low42.8Very low63 Ų63126.5 Ų126.565%0.64972%0.724SS**  trans-70.2114.2178.200000111.5
208R44.4Very low43.5Very low238 Ų238130.9 Ų130.990%0.89874%0.735SS**PPolyproline II helixtrans-72.7129.2176.9-164.3179.2-170.4-154.92.4110.9E206 L210E206-R208 PolarHBondContact O-N 2.96Å; R208-L210 PolarHBondContact O-N 3.46Å
209I38.4Very low44.2Very low108 Ų108133.8 Ų133.855%0.55475%0.745SS**PPolyproline II helixtrans-64.6118.8170.8-58.6167000108.3P225I209-P225 HydrophobicContact CD1-CG 4.19Å
210L43.2Very low44.1Very low149 Ų149129 Ų12978%0.7873%0.732SS**PPolyproline II helixtrans-73.5127167.1-78.7144.7000108.2R208R208-L210 PolarHBondContact O-N 3.46Å
211P48.9Very low44.6Very low109 Ų109132.3 Ų132.371%0.70874%0.743SS**PPolyproline II helixtrans-64141175.925.5-31.3000110.2
212P51.3Low45.4Very low121 Ų121136.1 Ų136.179%0.78675%0.751SS**PPolyproline II helixtrans-68.1132.2177.226.7-32.2000111G214P212-G214 PolarHBondContact O-N 3.15Å
213E50Low45.5Very low211 Ų211131.1 Ų131.199%0.98674%0.736SS**SBendtrans-7696.3165.3-74.1173131.500108.7
214G58Low45.6Very low51 Ų51133 Ų13353%0.52675%0.746SS.*SBendtrans172.2153.9177.900000112.1P212P212-G214 PolarHBondContact O-N 3.15Å
215P50.9Low46.2Very low115 Ų115133.3 Ų133.375%0.74774%0.738SS**SBendtrans-55.9148-168.321.9-32.1000112.6M217P215-M217 PolarHBondContact O-N 3.09Å
216P53.3Low46.3Very low136 Ų136126.8 Ų126.888%0.88372%0.724SS**  trans-62.4107.8-163.624.9-32.9000110.7
217M47.1Very low46.4Very low176 Ų176126.1 Ų126.187%0.86773%0.732SS**  trans-95.2139.9162.1-53.5-160-59.700107.3P215P215-M217 PolarHBondContact O-N 3.09Å
218E52.1Low46.9Very low184 Ų184126.9 Ų126.986%0.8672%0.724SS**  trans-45.1141.7-178.7-104.8165.8117.300112.2C220E218-C220 PolarHBondContact O-N 3.48Å
219P50Low46.6Very low113 Ų113117.9 Ų117.973%0.73471%0.705SS**  trans-57.7110.6-177.7-18.429000110.5Q221P219-Q221 VanDerWaalsContact C-N 3.34Å; P219-Q221 PolarHBondContact O-N 3.39Å
220C39Very low46.7Very low96 Ų96118.5 Ų118.565%0.64972%0.716SS**  trans-6498.8163.8-880000108E218 I222E218-C220 PolarHBondContact O-N 3.48Å; C220-I222 PolarHBondContact O-N 3.46Å
221Q48.8Very low46.7Very low190 Ų190115.5 Ų115.589%0.88871%0.705SS**THydrogen-bonded Turntrans-66.214.1173.1-86.3169.6-11.600114P219P219-Q221 VanDerWaalsContact C-N 3.34Å; P219-Q221 PolarHBondContact O-N 3.39Å
222I48.4Very low46.2Very low128 Ų128112.5 Ų112.566%0.65669%0.694SS**THydrogen-bonded Turntrans-115.1-6.6-170.2-60.6173.4000112.6C220 T224C220-I222 PolarHBondContact O-N 3.46Å; I222-T224 PolarHBondContact O-N 2.93Å
223C39.8Very low45.6Very low85 Ų85110.3 Ų110.357%0.57469%0.693SS**  trans-8883.5176-60.80000111.2
224T43.5Very low45.3Very low124 Ų124103.6 Ų103.676%0.76167%0.674SS**PPolyproline II helixtrans-70.7135.7167.648.10000110.2I222I222-T224 PolarHBondContact O-N 2.93Å
225P46.3Very low44.3Very low63 Ų63103 Ų10341%0.40967%0.668SS.*PPolyproline II helixtrans-48.4141.1168.6-26.333.8000111.4I209I209-P225 HydrophobicContact CD1-CG 4.19Å
226G43Very low43.8Very low60 Ų60106.5 Ų106.562%0.61968%0.677SS**PPolyproline II helixtrans-60.6149.2172.800000110.6
227P42.5Very low43.4Very low129 Ų129105.4 Ų105.484%0.83866%0.658SS**PPolyproline II helixtrans-58143.8-179.324.8-33.8000111.4G229P227-G229 PolarHBondContact O-N 2.89Å
228V45.1Very low43.1Very low79 Ų7998.3 Ų98.348%0.47963%0.63SS.*PPolyproline II helixtrans-55.4134.7170.5-179.60000108.8
229G40.1Very low42.6Very low48 Ų4895.9 Ų95.950%0.49563%0.628SS.*PPolyproline II helixtrans-58.8152.1176.100000111.8P227P227-G229 PolarHBondContact O-N 2.89Å
230P39Very low42.4Very low122 Ų12295 Ų9579%0.79261%0.613SS**PPolyproline II helixtrans-59.1148.2179.625.1-33.6000111.3
231P43.7Very low42.6Very low86 Ų8691.7 Ų91.756%0.55860%0.595SS**PPolyproline II helixtrans-53.5147.5172.1-2433.2000111.7P203P203-P231 HydrophobicContact CG-CG 4.45Å
232G37.4Very low42.4Very low45 Ų4588.2 Ų88.246%0.46459%0.589SS.*PPolyproline II helixtrans-56.9140.7170.600000110.9
233G39.4Very low42.2Very low75 Ų7586.8 Ų86.877%0.77358%0.578SS**PPolyproline II helixtrans-59.8152.2177.800000112.4
234A43Very low42.3Very low70 Ų7084.2 Ų84.258%0.57957%0.566SS**PPolyproline II helixtrans-57.8141.6175.100000111.1N200N200-A234 WeakPolarHBondContact OD1-CB 3.47Å
235G36.8Very low42.3Very low40 Ų4087.3 Ų87.341%0.41257%0.569SS.*PPolyproline II helixtrans-60.7147.7172.400000111.4
236M41.4Very low42.2Very low187 Ų18788.1 Ų88.192%0.92157%0.574SS**PPolyproline II helixtrans-62.9139.8175.8-67177.270.400110.5G238M236-G238 PolarHBondContact O-N 3.4Å
237K44.6Very low42Very low113 Ų11387.4 Ų87.449%0.49157%0.567SS.*PPolyproline II helixtrans-58.3134.6173.5-165.6-176.3-172.5-170.90109.6D194 G195D194-K237 IonicContact OD2-NZ 2.77Å; D194-K237 PolarHBondContact OD2-NZ 3.45Å; G195-K237 WeakPolarHBondContact O-CE 3.48Å
238G40.6Very low41.9Very low27 Ų2785.7 Ų85.728%0.27856%0.563SS.*PPolyproline II helixtrans-57.9144.4173.100000111.3M236M236-G238 PolarHBondContact O-N 3.4Å
239T43.1Very low41.8Very low134 Ų13487.3 Ų87.382%0.82258%0.575SS**PPolyproline II helixtrans-68.5146.8177.651.50000111.1G241T239-G241 PolarHBondContact O-N 2.95Å
240K45.8Very low41.6Very low93 Ų9387.9 Ų87.940%0.40458%0.581SS.*PPolyproline II helixtrans-53.5136.8171.9-165.3176.9-166.9-169.90110.6D191 G192D191-K240 HydrophobicContact CB-CD 4.43Å; D191-K240 VanDerWaalsContact CG-NZ 3.33Å; D191-K240 IonicContact OD2-NZ 2.74Å; D191-K240 PolarHBondContact OD2-NZ 2.96Å; G192-K240 WeakPolarHBondContact O-CE 3.42Å
241G42.6Very low41.7Very low27 Ų2791 Ų9128%0.27859%0.588SS.*PPolyproline II helixtrans-61.8156.217500000111.6T239T239-G241 PolarHBondContact O-N 2.95Å
242P44.6Very low41.7Very low118 Ų11893.1 Ų93.177%0.76659%0.594SS**PPolyproline II helixtrans-62.8149.2177.727.8-34.3000111.3
243K44.7Very low41.5Very low97 Ų9794.5 Ų94.542%0.42261%0.609SS.*PPolyproline II helixtrans-59.2142.1172.6-165.4177.6-164.5-173.10110.5D188 G189 D191D188-K243 HydrophobicContact CB-CD 4.36Å; D188-K243 VanDerWaalsContact CG-NZ 3.35Å; D188-K243 IonicContact OD2-NZ 2.79Å; D188-K243 PolarHBondContact OD2-NZ 3.43Å; G189-K243 WeakPolarHBondContact O-CE 3.5Å; D191-K243 WeakPolarHBondContact OD1-CG 3.39Å
244G40.8Very low41.4Very low31 Ų3198.2 Ų98.232%0.3262%0.616SS.*PPolyproline II helixtrans-57.8149.5173.700000111.6
245K43.5Very low41.3Very low190 Ų190101.5 Ų101.583%0.82662%0.619SS**PPolyproline II helixtrans-69.9142.9178-67.4-177.7-179.2178.70110.2
246P44.7Very low41.1Very low80 Ų80102.2 Ų102.252%0.51963%0.627SS.*PPolyproline II helixtrans-56.5146.7171.9-24.333.9000112.2
247G37.5Very low40.9Very low45 Ų45100.6 Ų100.646%0.46463%0.627SS.*PPolyproline II helixtrans-60.9153.4175.700000112.6
248A41.6Very low40.6Very low92 Ų92104.3 Ų104.376%0.7664%0.638SS**PPolyproline II helixtrans-65.6144.4177.500000111.5
249P43.6Very low40.3Very low113 Ų113105.7 Ų105.773%0.73465%0.652SS**PPolyproline II helixtrans-58143.3172.3-23.333.6000112.1
250G36Very low40Very low60 Ų60107.9 Ų107.962%0.61966%0.658SS**PPolyproline II helixtrans-61.2155.7174.400000112.6
251M40.6Very low39.7Very low188 Ų188110.4 Ų110.493%0.92668%0.681SS**PPolyproline II helixtrans-67.6145.2178.5-64177.57200111.8
252D42.9Very low39.3Very low131 Ų131112.1 Ų112.170%0.70170%0.699SS**PPolyproline II helixtrans-62.7139.8175.3-68.1-35.5000111.5
253G33.8Very low38.9Very low74 Ų74111.5 Ų111.576%0.76370%0.703SS**PPolyproline II helixtrans-64.4147.5177.200000112.9
254V38Very low38.7Very low153 Ų153116.1 Ų116.193%0.92773%0.726SS**PPolyproline II helixtrans-67.9134.2-178.9-149.50000111
255Q39.3Very low38.4Very low138 Ų138117.3 Ų117.365%0.64574%0.739SS**PPolyproline II helixtrans-66.6131.5178.9-173.6179.6-13.400111.5
256G33.8Very low38.1Very low56 Ų56114.7 Ų114.758%0.57774%0.741SS**PPolyproline II helixtrans-62.7146175.400000113.2
257V36.8Very low37.8Very low153 Ų153119.2 Ų119.293%0.92776%0.755SS**PPolyproline II helixtrans-72.3134.1178.4-107.20000111.7
258R39.3Very low37.5Very low191 Ų191120.1 Ų120.172%0.72177%0.765SS**PPolyproline II helixtrans-72.2138.6176176.4-179.9-93.1-167.5-7.4110.8C174C174-R258 PolarHBondContact SG-NH1 2.92Å
259G33.5Very low37.2Very low56 Ų56127.8 Ų127.858%0.57777%0.774SS**PPolyproline II helixtrans-62152175.500000114
260L36.6Very low37Very low180 Ų180132.5 Ų132.594%0.94278%0.779SS**PPolyproline II helixtrans-66.6142.1-177.6-72157.5000112.3
261V39.2Very low36.7Very low145 Ų145133.1 Ų133.188%0.87979%0.786SS**PPolyproline II helixtrans-70.5134.6174.4176.70000109.8
262G33.7Very low36.4Very low64 Ų64132 Ų13266%0.6678%0.783SS**PPolyproline II helixtrans-63.4150.1178.800000113.5
263A36.8Very low36Very low104 Ų104132.1 Ų132.186%0.8679%0.793SS**PPolyproline II helixtrans-63.3148.1-176.300000113.5
264E41.7Very low35.8Very low194 Ų194131.7 Ų131.791%0.90779%0.788SS**PPolyproline II helixtrans-66.5137.6176.3-166.7172.1-175.100111.3
265G32.6Very low35.8Very low57 Ų57130.8 Ų130.859%0.58879%0.786SS**PPolyproline II helixtrans-70.3157.5-178.500000113.2
266P37.4Very low35.9Very low134 Ų134134 Ų13487%0.8780%0.798SS**PPolyproline II helixtrans-66.6146.1-175.827.2-33.9000112.8
267Q38.9Very low35.9Very low175 Ų175134.7 Ų134.782%0.81881%0.805SS**PPolyproline II helixtrans-63133177.4-172.1175.1-1.200111.4
268G31.8Very low36Very low65 Ų65135.9 Ų135.967%0.6781%0.805SS**PPolyproline II helixtrans-62.8147.517900000113.5
269R35.4Very low36.2Very low252 Ų252136.3 Ų136.395%0.95181%0.812SS**PPolyproline II helixtrans-65.4144.7178.8-82.6-175.4168.2-173.9-3.5112
270Y38Very low36.5Very low213 Ų213137 Ų13784%0.83582%0.819SS**PPolyproline II helixtrans-61.5139.6170.2-81.7-91.2000110.9
271G30.5Very low36.8Very low73 Ų73136.3 Ų136.375%0.75382%0.816SS**PPolyproline II helixtrans-75.5147.1173.900000112.2
272D35Very low36.7Very low165 Ų165134.6 Ų134.688%0.88282%0.817SS**PPolyproline II helixtrans-64.7148-178.6-65.9-46.4000112.6G274D272-G274 PolarHBondContact O-N 3.45Å
273C33Very low36.8Very low132 Ų132135.2 Ų135.289%0.89282%0.824SS**PPolyproline II helixtrans-63.6133.1176.3-71.50000111.2
274G30.9Very low36.9Very low65 Ų65140.2 Ų140.267%0.6783%0.826SS**PPolyproline II helixtrans-64158.1175.900000113.4D272D272-G274 PolarHBondContact O-N 3.45Å
275P38.6Very low36.7Very low135 Ų135138.5 Ų138.588%0.87782%0.822SS**PPolyproline II helixtrans-65.3146.7-175.626.9-34000112.4G277P275-G277 PolarHBondContact O-N 2.85Å
276K40.5Very low37Very low206 Ų206143.2 Ų143.290%0.89683%0.832SS**PPolyproline II helixtrans-61.3129.4178-169.2173.7-177.1176.10110.6
277G34.4Very low37.1Very low70 Ų70145 Ų14572%0.72283%0.834SS**PPolyproline II helixtrans-57.3143.9178.200000113.1P275P275-G277 PolarHBondContact O-N 2.85Å
278L39Very low37.1Very low177 Ų177142.9 Ų142.993%0.92783%0.833SS**PPolyproline II helixtrans-63.8143.8-177.6-67.7167.3000111.8G280L278-G280 PolarHBondContact O-N 3.28Å
279K43.8Very low37.9Very low201 Ų201146.8 Ų146.887%0.87484%0.844SS**PPolyproline II helixtrans-68.4124.2175.3-172.8177.8-178.7-177.40109
280G38.9Very low38.4Very low70 Ų70137.1 Ų137.172%0.72282%0.822SS**PPolyproline II helixtrans-64.1138.5176.900000112.4L278L278-G280 PolarHBondContact O-N 3.28Å
281D41.9Very low38.7Very low166 Ų166132.6 Ų132.689%0.88882%0.819SS**PPolyproline II helixtrans-65.1145.3-177.5-72.2-48.6000113.3G283D281-G283 PolarHBondContact O-N 2.97Å
282A38.2Very low39.7Very low108 Ų108135.3 Ų135.389%0.89382%0.823SS**PPolyproline II helixtrans-73.7117.4-178.500000111.8
283G36Very low40.2Very low78 Ų78130.5 Ų130.580%0.80481%0.813SS**PPolyproline II helixtrans-78125.3172.100000112D281D281-G283 PolarHBondContact O-N 2.97Å
284K38.4Very low40.5Very low209 Ų209130 Ų13091%0.90981%0.808SS**PPolyproline II helixtrans-82.7138.3177.1-149.2176.2-174.6-176.10108.5
285L37.5Very low41.3Very low157 Ų157133.1 Ų133.182%0.82282%0.816SS**SBendtrans99.4111.9-178.9-146.276.8000112.8
286I38.8Very low41.4Very low157 Ų157130.1 Ų130.181%0.80581%0.81SS**SBendtrans63.4135.3170.841177.2000119V288I286-V288 PolarHBondContact O-N 3.01Å
287D40.3Very low41.4Very low170 Ų170129.2 Ų129.291%0.90981%0.809SS**SBendtrans-63.776.8-164.3-64.1-56.6000116.9
288V37.9Very low41.7Very low131 Ų131131.7 Ų131.779%0.79481%0.813SS**  trans-138.1104167.8-1700000111.8I286 G290I286-V288 PolarHBondContact O-N 3.01Å; V288-G290 PolarHBondContact O-N 3.5Å
289V49.3Very low41.6Very low147 Ų147127 Ų12789%0.89181%0.807SS**  trans-71.6109.4163.4176.60000107.7
290G46.5Very low41.3Very low49 Ų49124.5 Ų124.551%0.50581%0.808SS.*PPolyproline II helixtrans-65.5147.4172.700000111.8V288V288-G290 PolarHBondContact O-N 3.5Å
291P43Very low41.4Very low119 Ų119130.5 Ų130.577%0.77381%0.814SS**PPolyproline II helixtrans-62.4153.9178.726-33.6000111.9G293P291-G293 PolarHBondContact O-N 3.47Å
292P51.5Low41.2Very low129 Ų129125.1 Ų125.184%0.83880%0.798SS**PPolyproline II helixtrans-52.6138.3174.2-2433.2000111.7
293G45.4Very low41.2Very low64 Ų64126.1 Ų126.166%0.6680%0.796SS**PPolyproline II helixtrans-58.5153.2173.600000112P291P291-G293 PolarHBondContact O-N 3.47Å
294P39.5Very low41.4Very low122 Ų122128 Ų12879%0.79280%0.797SS**PPolyproline II helixtrans-60.5151.2-179.425.1-33.6000111.9
295P47.9Very low41.3Very low130 Ų130121 Ų12184%0.84478%0.784SS**PPolyproline II helixtrans-54.4139.5171-2333.4000111.2
296G41.1Very low41.3Very low73 Ų73119.9 Ų119.975%0.75379%0.785SS**PPolyproline II helixtrans-60.7150.6174.100000111.8
297E39Very low41.3Very low187 Ų187123.8 Ų123.887%0.87479%0.79SS**PPolyproline II helixtrans-59.8145.7179-67.4-171.1141.300112G299E297-G299 PolarHBondContact O-N 3.23Å
298P42.7Very low41Very low122 Ų122118.7 Ų118.779%0.79278%0.777SS**PPolyproline II helixtrans-56.1137.1173.3-23.633.5000111.9
299G36.9Very low40.9Very low78 Ų78121.4 Ų121.480%0.80478%0.781SS**PPolyproline II helixtrans-58.1143.8175.700000112.3E297E297-G299 PolarHBondContact O-N 3.23Å
300V36.1Very low40.4Very low148 Ų148120.1 Ų120.190%0.89778%0.779SS**PPolyproline II helixtrans-65134.5-179.1-1590000110G302V300-G302 PolarHBondContact O-N 3.43Å
301K41.1Very low39.9Very low196 Ų196120.4 Ų120.485%0.85278%0.782SS**PPolyproline II helixtrans-57.6126175.2-173.1176.4179.7179.90109.7
302G39Very low39.7Very low53 Ų53121 Ų12155%0.54679%0.786SS.*PPolyproline II helixtrans-59153.5176.200000112.2V300V300-G302 PolarHBondContact O-N 3.43Å
303P36.6Very low39.2Very low130 Ų130122.7 Ų122.784%0.84479%0.788SS**PPolyproline II helixtrans-61.3148.1-17926.3-33.8000111.5
304S40Very low38.5Very low118 Ų118122.7 Ų122.783%0.82579%0.787SS**PPolyproline II helixtrans-58.5137.8172.4-63.20000110.5
305G36.8Very low38.4Very low62 Ų62123.5 Ų123.564%0.63979%0.79SS**PPolyproline II helixtrans-61.2157.2175.800000112.5
306P37.4Very low38.1Very low132 Ų132123.1 Ų123.186%0.85779%0.787SS**PPolyproline II helixtrans-62.6147.318026.6-33.5000111.4G308P306-G308 PolarHBondContact O-N 2.97Å
307R38.9Very low37.7Very low240 Ų240122.7 Ų122.791%0.90678%0.783SS**PPolyproline II helixtrans-59.8133.3174.7-166.5178.2-165.7176.13.7109.6
308G34.4Very low37.7Very low62 Ų62122.9 Ų122.964%0.63978%0.783SS**PPolyproline II helixtrans-55.3149.7173.600000111.8P306P306-G308 PolarHBondContact O-N 2.97Å
309H36.4Very low37.5Very low188 Ų188127 Ų12787%0.8779%0.789SS**PPolyproline II helixtrans-64.3146.7178.2-70.252.4000110G311H309-G311 PolarHBondContact O-N 3.3Å
310S38.7Very low37.4Very low120 Ų120125.6 Ų125.684%0.83978%0.775SS**PPolyproline II helixtrans-64135.7174.4-570000109
311G35.5Very low37.6Very low56 Ų56124.2 Ų124.258%0.57777%0.769SS**PPolyproline II helixtrans-62.6158.9173.200000111.4H309H309-G311 PolarHBondContact O-N 3.3Å
312P39.1Very low37.5Very low132 Ų132120.9 Ų120.986%0.85777%0.767SS**PPolyproline II helixtrans-59146177.325.8-33.4000111G314P312-G314 PolarHBondContact O-N 2.87Å
313D40.3Very low37.4Very low164 Ų164121.5 Ų121.588%0.87777%0.773SS**PPolyproline II helixtrans-56.5134175.7-70.3-37.7000110.2V315D313-V315 PolarHBondContact O-N 2.99Å
314G32.3Very low37.5Very low63 Ų63122.9 Ų122.965%0.64977%0.774SS**PPolyproline II helixtrans-61136.3174.200000110.4P312P312-G314 PolarHBondContact O-N 2.87Å
315V36Very low37.6Very low139 Ų139126 Ų12684%0.84278%0.775SS**PPolyproline II helixtrans-54.7134.4174.1-97.20000110.5D313 G317D313-V315 PolarHBondContact O-N 2.99Å; V315-G317 PolarHBondContact O-N 3.29Å
316P41.2Very low37.6Very low122 Ų122125.3 Ų125.379%0.79277%0.768SS**PPolyproline II helixtrans-54.3133.9174.4-25.834.1000111.1
317G34Very low37.6Very low64 Ų64124.9 Ų124.966%0.6677%0.765SS**PPolyproline II helixtrans-59.2145.2175.300000111.4V315V315-G317 PolarHBondContact O-N 3.29Å
318H37.6Very low37.9Very low191 Ų191120 Ų12088%0.88476%0.761SS**PPolyproline II helixtrans-59.1139.7173.7-69.9-78.2000110.5G320H318-G320 PolarHBondContact O-N 3Å
319K40.1Very low37.9Very low208 Ų208119.4 Ų119.490%0.90476%0.756SS**PPolyproline II helixtrans-58.4125.7170.1-172.1177.5179.7-1790108.2
320G35.1Very low38.1Very low49 Ų49118 Ų11851%0.50575%0.754SS.*PPolyproline II helixtrans-58156.2175.300000111.7H318H318-G320 PolarHBondContact O-N 3Å
321P38.4Very low38.4Very low119 Ų119118.9 Ų118.977%0.77376%0.755SS**PPolyproline II helixtrans-57.8153.5174.626.2-33.8000110.7G323P321-G323 PolarHBondContact O-N 3.46Å
322P41Very low38.5Very low127 Ų127118.4 Ų118.483%0.82575%0.75SS**PPolyproline II helixtrans-51136.8168.1-22.933.4000110.2
323G35.1Very low38.6Very low65 Ų65117.2 Ų117.267%0.6775%0.745SS**PPolyproline II helixtrans-60.5149.6174.800000111P321P321-G323 PolarHBondContact O-N 3.46Å
324D38.7Very low38.8Very low160 Ų160117.6 Ų117.686%0.85674%0.741SS**PPolyproline II helixtrans-57.2141.8176.1-66-34.8000110.5G326D324-G326 PolarHBondContact O-N 3.31Å
325Q42.8Very low39Very low184 Ų184116.2 Ų116.286%0.8673%0.727SS**PPolyproline II helixtrans-59.2124.2172.7-173.9174.6-2.300108.4
326G36.4Very low39.2Very low47 Ų47113.9 Ų113.949%0.48572%0.722SS.*PPolyproline II helixtrans-57.1155176.300000111.5D324D324-G326 PolarHBondContact O-N 3.31Å
327P38.6Very low39.3Very low123 Ų123114 Ų11480%0.79972%0.723SS**PPolyproline II helixtrans-56.5143.2178.225.2-33.9000110.6G329P327-G329 PolarHBondContact O-N 2.93Å
328V43.6Very low39.4Very low136 Ų136112.8 Ų112.882%0.82471%0.711SS**PPolyproline II helixtrans-54.8125.2171.41790000107.8
329G35.2Very low39.5Very low51 Ų51109.9 Ų109.953%0.52671%0.709SS.*PPolyproline II helixtrans-58.9143.6179.700000111.3P327 V331P327-G329 PolarHBondContact O-N 2.93Å; G329-V331 PolarHBondContact O-N 3.23Å
330D41Very low39.6Very low157 Ų157108.4 Ų108.484%0.8471%0.71SS**PPolyproline II helixtrans-56.2137.3178-67.3-43.8000110.9G332D330-G332 PolarHBondContact O-N 3.38Å
331V44.8Very low39.5Very low139 Ų139107.9 Ų107.984%0.84270%0.704SS**PPolyproline II helixtrans-57.9122.8173.2179.10000108.1G329 S333G329-V331 PolarHBondContact O-N 3.23Å; V331-S333 PolarHBondContact O-N 2.96Å
332G36.7Very low39.5Very low46 Ų46108.4 Ų108.447%0.47471%0.708SS.*PPolyproline II helixtrans-54.2139.6178.600000111.4D330 Q334D330-G332 PolarHBondContact O-N 3.38Å; G332-Q334 PolarHBondContact O-N 3.37Å
333S41Very low39.3Very low108 Ų108110.9 Ų110.976%0.75571%0.711SS**PPolyproline II helixtrans-54.6137175.853.40000110.8V331 G335V331-S333 PolarHBondContact O-N 2.96Å; S333-G335 PolarHBondContact O-N 3.09Å
334Q44.5Very low39.1Very low172 Ų172110.6 Ų110.680%0.80471%0.707SS**PPolyproline II helixtrans-49.9128.6172.3-178175.2-22.500109.7G332G332-Q334 PolarHBondContact O-N 3.37Å
335G37Very low38.9Very low33 Ų33109.7 Ų109.734%0.3471%0.707SS.*PPolyproline II helixtrans-56.1142.9177.400000110.8S333S333-G335 PolarHBondContact O-N 3.09Å
336A40.1Very low38.7Very low91 Ų91109.9 Ų109.975%0.75271%0.708SS**PPolyproline II helixtrans-56.3144.9175.200000110.3G338A336-G338 PolarHBondContact O-N 3.5Å
337P44.7Very low38.5Very low124 Ų124110.8 Ų110.881%0.80572%0.718SS**PPolyproline II helixtrans-50.3138.5172-26.134.4000110.8
338G35.6Very low38.3Very low39 Ų39114.2 Ų114.240%0.40272%0.723SS.*PPolyproline II helixtrans-57.2153.2174.800000111A336 L340A336-G338 PolarHBondContact O-N 3.5Å; G338-L340 PolarHBondContact O-N 3Å
339P39.6Very low38Very low130 Ų130119 Ų11984%0.84473%0.726SS**PPolyproline II helixtrans-56142175.824.8-33.4000110.3G341P339-G341 PolarHBondContact O-N 3.23Å
340L42.2Very low38Very low177 Ų177119 Ų11993%0.92773%0.726SS**PPolyproline II helixtrans-55.6128.4173.1-167.772.4000108.3G338G338-L340 PolarHBondContact O-N 3Å
341G33.3Very low37.9Very low38 Ų38117.7 Ų117.739%0.39273%0.727SS.*PPolyproline II helixtrans-55.7152177.100000111.1P339 M343P339-G341 PolarHBondContact O-N 3.23Å; G341-M343 PolarHBondContact O-N 3.5Å
342P37.1Very low37.7Very low129 Ų129117.8 Ų117.884%0.83873%0.727SS**PPolyproline II helixtrans-55.7138.7176.624.6-33.2000109.9G344P342-G344 PolarHBondContact O-N 3.48Å
343M37Very low37.7Very low180 Ų180119 Ų11989%0.88774%0.74SS**PPolyproline II helixtrans-54.8129.5172.9-167.8170.376.700108.4G341 V345G341-M343 PolarHBondContact O-N 3.5Å; M343-V345 PolarHBondContact O-N 3.3Å
344G31.6Very low37.5Very low58 Ų58118.8 Ų118.860%0.59874%0.738SS**PPolyproline II helixtrans-52.6136.8177.900000110.2P342 E346P342-G344 PolarHBondContact O-N 3.48Å; G344-E346 PolarHBondContact O-N 3.14Å
345V33.9Very low37.2Very low142 Ų142114.3 Ų114.386%0.86173%0.726SS**PPolyproline II helixtrans-58136.1173.5-71.30000109.4M343 G347M343-V345 PolarHBondContact O-N 3.3Å; V345-G347 PolarHBondContact O-N 3.48Å
346E38.4Very low37.3Very low188 Ų188121.4 Ų121.488%0.87975%0.75SS**PPolyproline II helixtrans-53.7125.3174.4-170.5174.6-179.900108.9G344 Q348G344-E346 PolarHBondContact O-N 3.14Å; E346-Q348 PolarHBondContact O-N 3.45Å
347G32.1Very low37.2Very low66 Ų66125.8 Ų125.868%0.6875%0.754SS**PPolyproline II helixtrans-57.7133.8-179.900000109.9V345 R349V345-G347 PolarHBondContact O-N 3.48Å; G347-R349 PolarHBondContact O-N 3.11Å
348Q34.7Very low36.8Very low194 Ų194124.9 Ų124.991%0.90775%0.75SS**PPolyproline II helixtrans-55.7137.5174-67-1734100109.6E346 G350E346-Q348 PolarHBondContact O-N 3.45Å; Q348-G350 PolarHBondContact O-N 3.31Å
349R37.3Very low37.3Very low236 Ų236129.2 Ų129.289%0.89177%0.771SS**PPolyproline II helixtrans-50.9124.3174.6178.4-178.5-80.9-171.5-4.7109G347G347-R349 PolarHBondContact O-N 3.11Å
350G35.3Very low37.5Very low52 Ų52129.2 Ų129.254%0.53677%0.768SS.*PPolyproline II helixtrans-57.6153.3176.600000112Q348Q348-G350 PolarHBondContact O-N 3.31Å
351P38.2Very low37.6Very low130 Ų130126.3 Ų126.384%0.84476%0.76SS**PPolyproline II helixtrans-57.9145.8177.825.6-33.7000110.7G353P351-G353 PolarHBondContact O-N 3.44Å
352T41.1Very low38.1Very low140 Ų140135.9 Ų135.986%0.85978%0.784SS**PPolyproline II helixtrans-58.1121.1173.1-48.90000109S354T352-S354 PolarHBondContact O-N 3.22Å
353G37.6Very low38.6Very low72 Ų72136.5 Ų136.574%0.74279%0.786SS**PPolyproline II helixtrans-61.7121.9174.500000110.1P351P351-G353 PolarHBondContact O-N 3.44Å
354S36.8Very low38.9Very low103 Ų103132.4 Ų132.472%0.7278%0.78SS**  trans-110.4132.5172.266.30000110T352 E356T352-S354 PolarHBondContact O-N 3.22Å; S354-E356 PolarHBondContact O-N 3.43Å
355C38Very low39.3Very low79 Ų79136 Ų13653%0.53479%0.793SS.*  trans-65.2106.4-172.6-51.10000112.3H357C355-H357 PolarHBondContact O-N 3.47Å
356E37.9Very low40Very low182 Ų182132.3 Ų132.385%0.8578%0.784SS**SBendtrans-7817.4178.4-76.3-164.6146.500115.3S354S354-E356 PolarHBondContact O-N 3.43Å
357H39Very low40.2Very low182 Ų182138.1 Ų138.184%0.84380%0.8SS**  trans-134.981.5173.7-95.165.5000110.7C355C355-H357 PolarHBondContact O-N 3.47Å
358C35.7Very low40.6Very low106 Ų106141.8 Ų141.872%0.71681%0.806SS**  trans-126.7125.1154.1-80.40000107.7V360C358-V360 PolarHBondContact O-N 3.41Å; C358-V360 VanDerWaalsContact O-N 3.17Å
359P47.3Very low40.9Very low130 Ų130139 Ų13984%0.84480%0.801SS**PPolyproline II helixtrans-63.8117.7179.624.3-30.8000110P361P359-P361 WeakPolarHBondContact O-CD 3.43Å
360V44Very low41.1Very low129 Ų129133.6 Ų133.678%0.78280%0.796SS**PPolyproline II helixtrans-62126.5174.3-89.20000111.3C358 R362C358-V360 PolarHBondContact O-N 3.41Å; C358-V360 VanDerWaalsContact O-N 3.17Å; V360-R362 PolarHBondContact O-N 2.95Å
361P43.5Very low41.4Very low117 Ų117138.4 Ų138.476%0.7681%0.811SS**PPolyproline II helixtrans-73.4119.2158.6-7.924.8000108.8P359 T363P359-P361 WeakPolarHBondContact O-CD 3.43Å; P361-T363 PolarHBondContact O-N 3.28Å
362R43.7Very low41.6Very low239 Ų239138.9 Ų138.990%0.90281%0.809SS**PPolyproline II helixtrans-67.1122.4169.1-67.2-178.1-179.7-175.9-0109.5V360V360-R362 PolarHBondContact O-N 2.95Å
363T48.3Very low41.7Very low142 Ų142138.9 Ų138.987%0.87181%0.806SS**  trans-151.1142.31551.80000110.8P361P361-T363 PolarHBondContact O-N 3.28Å
364A42.1Very low41.9Very low93 Ų93143.6 Ų143.677%0.76981%0.81SS**  trans-68.2160.4-152.800000117.1
365P40.8Very low42.3Very low134 Ų134146.8 Ų146.887%0.8782%0.817SS**  trans-87.7138.7170.833.8-28.8000111.8
366G48.9Very low42.7Very low65 Ų65152.4 Ų152.467%0.6784%0.841SS**  trans174.897.1169.800000110.9
367Y41.3Very low43.1Very low310 Ų310149.7 Ų149.7100%1.21684%0.84SS**  trans-172.10136.3-100.4-70.4000109.2

Retrieved 367 of 367 residues in 399.8 ms (Link to these results)