A0A087XCB6_POEFO Loading...

Small glutamine-rich tetratricopeptide repeat-containing protein alpha

Co-chaperone that binds misfolded and hydrophobic patches-containing client proteins in the cytosol. Mediates their targeting to the endoplasmic reticulum but also regulates their sorting to the proteasome when targeting fails. Functions in tail-anchored/type II transmembrane proteins membrane insertion constituting with ASNA1 and the BAG6 complex a targeting module. Functions upstream of the BAG6 complex and ASNA1, binding more rapidly the transmembrane domain of newly synthesized proteins. It is also involved in the regulation of the endoplasmic reticulum-associated misfolded protein catabolic process via its interaction with BAG6: collaborates with the BAG6 complex to maintain hydrophobic substrates in non-ubiquitinated states. Competes with RNF126 for interaction with BAG6, preventing the ubiquitination of client proteins associated with the BAG6 complex. Binds directly to HSC70 and HSP70 and regulates their ATPase activity.

AlphaFold DB , UniProt , Accession A0A087XCB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 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
1M59.6Low84.5Confident199 Ų19972.7 Ų72.798%0.9838%0.38SS*.  0-32.60-75.2-168.7179.600112.5D3 S4 K5M1-D3 PolarHBondContact O-N 3.17Å; M1-S4 PolarHBondContact O-N 2.93Å; M1-K5 PolarHBondContact O-N 3.41Å
2T78.3Confident85.1Confident90 Ų9066.7 Ų66.755%0.55235%0.348SS*.Hα-helixtrans-58.9-42.3178.341.30000114.2K5 R6T2-K5 PolarHBondContact O-N 2.98Å; T2-R6 WeakPolarHBondContact O-CG 3.49Å; T2-R6 PolarHBondContact O-N 2.97Å
3D81.6Confident85.4Confident120 Ų12068.2 Ų68.264%0.64235%0.353SS*.Hα-helixtrans-71.1-36.2-176.6-57.2-22.7000112.4M1 K5 R6 L7M1-D3 PolarHBondContact O-N 3.17Å; D3-K5 VanDerWaalsContact C-N 3.35Å; D3-R6 PolarHBondContact O-N 3.26Å; D3-L7 PolarHBondContact O-N 3.04Å
4S84.6Confident85.8Confident68 Ų6867.8 Ų67.848%0.47635%0.347SS..Hα-helixtrans-64.1-40.1172.9-50.40000111.6M1 L7 A8M1-S4 PolarHBondContact O-N 2.93Å; S4-L7 PolarHBondContact O-N 2.99Å; S4-A8 WeakPolarHBondContact O-CB 3.37Å; S4-A8 PolarHBondContact O-N 3.36Å
5K87.9Confident86.2Confident58 Ų5865.1 Ų65.125%0.25233%0.333SS..Hα-helixtrans-66.1-40.1174.4-71.7-163.3174.4-1480112.1M1 T2 D3 A8 F9 F43 D44 V45 L52M1-K5 PolarHBondContact O-N 3.41Å; T2-K5 PolarHBondContact O-N 2.98Å; D3-K5 VanDerWaalsContact C-N 3.35Å; K5-A8 PolarHBondContact O-N 3.23Å; K5-F9 VanDerWaalsContact O-CB 3.3Å; K5-F9 WeakPolarHBondContact O-CB 3.27Å; K5-F9 PolarHBondContact O-N 3.24Å; K5-F43 WeakPolarHBondContact CE-O 3.1Å; K5-F43 PolarHBondContact NZ-O 3.12Å; K5-D44 PolarHBondContact NZ-O 3.31Å; K5-D44 IonicContact NZ-OD2 2.84Å; K5-D44 PolarHBondContact NZ-OD2 3.49Å; K5-V45 HydrophobicContact CB-CG2 3.83Å; K5-V45 HydrophobicContact CD-CG2 4.18Å; K5-V45 HydrophobicContact CG-CG2 3.92Å; K5-L52 HydrophobicContact CB-CD1 4.3Å; K5-L52 HydrophobicContact CB-CD2 4.05Å
6R86.6Confident86.4Confident90 Ų9064.4 Ų64.434%0.3433%0.328SS..Hα-helixtrans-63.9-39.6174.9-71.8177.7-177.7-71.1-9.1112.8T2 D3 S10 S51 L52 A53 V54T2-R6 WeakPolarHBondContact O-CG 3.49Å; T2-R6 PolarHBondContact O-N 2.97Å; D3-R6 PolarHBondContact O-N 3.26Å; R6-S10 PolarHBondContact O-N 3.02Å; R6-S10 PolarHBondContact O-OG 3.15Å; R6-S51 PolarHBondContact NH1-O 3.13Å; R6-S51 PolarHBondContact NH2-O 3.43Å; R6-L52 HydrophobicContact CG-CD2 3.97Å; R6-A53 PolarHBondContact NH1-O 3.49Å; R6-V54 HydrophobicContact CB-CG2 4.25Å
7L89Confident86.5Confident100 Ų10065.2 Ų65.252%0.52433%0.334SS..Hα-helixtrans-65.9-48174.7178.761.9000111.2D3 S4 F9 S10 I11D3-L7 PolarHBondContact O-N 3.04Å; S4-L7 PolarHBondContact O-N 2.99Å; L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 PolarHBondContact O-N 2.91Å; L7-S10 PolarHBondContact O-N 2.94Å; L7-I11 HydrophobicContact CD1-CD1 4.24Å; L7-I11 HydrophobicContact CG-CD1 4.1Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 2.97Å
8A90.1Very high86.5Confident5 Ų566.1 Ų66.14%0.04134%0.336CS..Hα-helixtrans-58.2-45176.300000111.5S4 K5 S10 I11 I12 F43S4-A8 WeakPolarHBondContact O-CB 3.37Å; S4-A8 PolarHBondContact O-N 3.36Å; K5-A8 PolarHBondContact O-N 3.23Å; A8-S10 PolarHBondContact O-N 3Å; A8-I11 PolarHBondContact O-N 3.28Å; A8-I12 WeakPolarHBondContact O-CD1 3.34Å; A8-I12 VanDerWaalsContact O-CG1 3.29Å; A8-I12 WeakPolarHBondContact O-CG1 3.41Å; A8-I12 PolarHBondContact O-N 3.43Å; A8-F43 HydrophobicContact CB-CB 3.73Å; A8-F43 HydrophobicContact CB-CD1 4Å; A8-F43 HydrophobicContact CB-CD2 3.74Å; A8-F43 HydrophobicContact CB-CE2 4.36Å; A8-F43 HydrophobicContact CB-CG 3.53Å
9F90.2Very high86.6Confident6 Ų664.1 Ų64.13%0.02633%0.326CS..Hα-helixtrans-56.1-46.2174.3-176.1-88.1000112.2K5 L7 I11 I12 Q13 V45 S46 D49 L52 A53K5-F9 VanDerWaalsContact O-CB 3.3Å; K5-F9 WeakPolarHBondContact O-CB 3.27Å; K5-F9 PolarHBondContact O-N 3.24Å; L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 PolarHBondContact O-N 2.91Å; F9-I11 VanDerWaalsContact C-N 3.31Å; F9-I11 PolarHBondContact O-N 3.46Å; F9-I12 PolarHBondContact O-N 3.39Å; F9-Q13 WeakPolarHBondContact O-CB 3.44Å; F9-Q13 PolarHBondContact O-N 2.84Å; F9-V45 HydrophobicContact CB-CG1 3.83Å; F9-V45 HydrophobicContact CD2-CG1 3.74Å; F9-V45 HydrophobicContact CG-CG1 4.28Å; F9-S46 WeakPolarHBondContact CE2-O 3.39Å; F9-D49 WeakPolarHBondContact CE2-O 3.35Å; F9-L52 HydrophobicContact CB-CB 3.97Å; F9-L52 HydrophobicContact CB-CD1 4.42Å; F9-L52 HydrophobicContact CD1-CB 4.25Å; F9-L52 HydrophobicContact CD2-CB 3.81Å; F9-L52 HydrophobicContact CD2-CD1 4.22Å; F9-L52 HydrophobicContact CE2-CB 4.36Å; F9-L52 HydrophobicContact CG-CB 3.74Å; F9-A53 HydrophobicContact CE1-CB 4.17Å
10S89.5Confident86.5Confident11 Ų1168.7 Ų68.78%0.07735%0.346CS..Hα-helixtrans-65-34.2179.5-55.70000112.8R6 L7 A8 F14R6-S10 PolarHBondContact O-N 3.02Å; R6-S10 PolarHBondContact O-OG 3.15Å; L7-S10 PolarHBondContact O-N 2.94Å; A8-S10 PolarHBondContact O-N 3Å; S10-F14 PolarHBondContact O-N 2.93Å
11I92.1Very high86.3Confident53 Ų5368 Ų6827%0.27235%0.351SS..Hα-helixtrans-70.2-50.1174.8-65.7165.8000110L7 A8 F9 Q13 F14 L15 L39 L58L7-I11 HydrophobicContact CD1-CD1 4.24Å; L7-I11 HydrophobicContact CG-CD1 4.1Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 2.97Å; A8-I11 PolarHBondContact O-N 3.28Å; F9-I11 VanDerWaalsContact C-N 3.31Å; F9-I11 PolarHBondContact O-N 3.46Å; I11-Q13 VanDerWaalsContact C-N 3.3Å; I11-Q13 PolarHBondContact O-N 2.84Å; I11-F14 WeakPolarHBondContact O-CB 3.24Å; I11-F14 PolarHBondContact O-N 2.84Å; I11-F14 VanDerWaalsContact O-N 3.15Å; I11-L15 HydrophobicContact CG2-CD1 4.08Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CG 3.45Å; I11-L15 PolarHBondContact O-N 3.01Å; I11-L39 HydrophobicContact CG2-CD1 3.87Å; I11-L58 HydrophobicContact CG1-CD1 4.36Å; I11-L58 HydrophobicContact CG1-CD2 4.05Å
12I91.4Very high86.9Confident0 Ų060.9 Ų60.90%033%0.329CS..Hα-helixtrans-56.3-45.3179.4-70.9160.7000110.9A8 F9 F14 L15 H16 V36 L39 E40 V45 T47A8-I12 WeakPolarHBondContact O-CD1 3.34Å; A8-I12 VanDerWaalsContact O-CG1 3.29Å; A8-I12 WeakPolarHBondContact O-CG1 3.41Å; A8-I12 PolarHBondContact O-N 3.43Å; F9-I12 PolarHBondContact O-N 3.39Å; I12-F14 PolarHBondContact O-N 3.45Å; I12-L15 PolarHBondContact O-N 2.56Å; I12-H16 PolarHBondContact O-CD2 3.4Å; I12-H16 PolarHBondContact O-N 3.37Å; I12-V36 HydrophobicContact CG2-CG1 4.09Å; I12-L39 HydrophobicContact CD1-CB 3.92Å; I12-L39 HydrophobicContact CG1-CB 3.77Å; I12-L39 HydrophobicContact CG1-CD1 4.29Å; I12-E40 HydrophobicContact CD1-CG 3.84Å; I12-E40 HydrophobicContact CG1-CG 4.47Å; I12-E40 HydrophobicContact CG2-CG 4.33Å; I12-V45 HydrophobicContact CD1-CB 4.38Å; I12-V45 HydrophobicContact CD1-CG1 4.15Å; I12-T47 HydrophobicContact CG2-CG2 3.55Å
13Q89.1Confident87Confident86 Ų8664 Ų6440%0.40234%0.342SS..Hα-helixtrans-60.1-45.1177.6-170.71751.100112F9 I11 L15 H16 D17F9-Q13 WeakPolarHBondContact O-CB 3.44Å; F9-Q13 PolarHBondContact O-N 2.84Å; I11-Q13 VanDerWaalsContact C-N 3.3Å; I11-Q13 PolarHBondContact O-N 2.84Å; Q13-L15 PolarHBondContact O-N 3.5Å; Q13-H16 PolarHBondContact O-N 3.15Å; Q13-D17 VanDerWaalsContact O-CG 3.32Å; Q13-D17 PolarHBondContact O-N 2.98Å
14F92Very high87.1Confident63 Ų6361 Ų6128%0.27633%0.326SS..Hα-helixtrans-60.7-42.9175.1169.4-101.7000112.5S10 I11 I12 H16 D17 Q18 L58 P59S10-F14 PolarHBondContact O-N 2.93Å; I11-F14 WeakPolarHBondContact O-CB 3.24Å; I11-F14 PolarHBondContact O-N 2.84Å; I11-F14 VanDerWaalsContact O-N 3.15Å; I12-F14 PolarHBondContact O-N 3.45Å; F14-H16 VanDerWaalsContact C-N 3.33Å; F14-H16 PolarHBondContact O-N 3.04Å; F14-D17 PolarHBondContact O-N 2.9Å; F14-Q18 HydrophobicContact CD1-CG 4.48Å; F14-Q18 HydrophobicContact CD2-CG 4.41Å; F14-Q18 HydrophobicContact CE1-CG 4.01Å; F14-Q18 HydrophobicContact CE2-CG 3.92Å; F14-Q18 HydrophobicContact CZ-CG 3.71Å; F14-Q18 WeakPolarHBondContact O-CG 3.49Å; F14-Q18 PolarHBondContact O-N 3.48Å; F14-L58 HydrophobicContact CB-CB 4.27Å; F14-L58 HydrophobicContact CB-CD2 4.12Å; F14-L58 HydrophobicContact CD1-CD2 4.27Å; F14-L58 HydrophobicContact CG-CD2 4.21Å; F14-P59 HydrophobicContact CD2-CG 3.76Å; F14-P59 HydrophobicContact CE2-CG 3.91Å
15L90.8Very high87.4Confident27 Ų2762.5 Ų62.514%0.14133%0.332CS..Hα-helixtrans-65.8-36.5178.7-59.1177.6000111.6I11 I12 Q13 Q18 L19 L32 V36 L39I11-L15 HydrophobicContact CG2-CD1 4.08Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CG 3.45Å; I11-L15 PolarHBondContact O-N 3.01Å; I12-L15 PolarHBondContact O-N 2.56Å; Q13-L15 PolarHBondContact O-N 3.5Å; L15-Q18 PolarHBondContact O-N 2.93Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 2.98Å; L15-L32 HydrophobicContact CB-CD1 3.78Å; L15-L32 HydrophobicContact CB-CG 4.27Å; L15-L32 HydrophobicContact CD1-CD1 4.02Å; L15-L32 HydrophobicContact CD2-CD1 3.5Å; L15-L32 VanDerWaalsContact CD2-CD1 3.5Å; L15-L32 HydrophobicContact CG-CD1 3.9Å; L15-V36 HydrophobicContact CB-CG2 3.6Å; L15-V36 HydrophobicContact CD1-CG2 3.97Å; L15-V36 HydrophobicContact CG-CG2 4.45Å; L15-L39 HydrophobicContact CD1-CD1 3.9Å
16H89.6Confident87.3Confident55 Ų5563 Ų6326%0.25534%0.343SS..Hα-helixtrans-64.2-42.5172-87.4-65.2000112.9I12 Q13 F14 Q18 L19 Q20 V36I12-H16 PolarHBondContact O-CD2 3.4Å; I12-H16 PolarHBondContact O-N 3.37Å; Q13-H16 PolarHBondContact O-N 3.15Å; F14-H16 VanDerWaalsContact C-N 3.33Å; F14-H16 PolarHBondContact O-N 3.04Å; H16-Q18 VanDerWaalsContact C-N 3.26Å; H16-Q18 PolarHBondContact O-N 2.91Å; H16-L19 WeakPolarHBondContact O-CB 3.35Å; H16-L19 PolarHBondContact O-N 3.22Å; H16-L19 VanDerWaalsContact O-N 3.17Å; H16-Q20 WeakPolarHBondContact O-CG 3.31Å; H16-Q20 PolarHBondContact O-N 3.4Å; H16-V36 WeakPolarHBondContact NE2-CG1 3.47Å
17D87.9Confident87.4Confident78 Ų7864.4 Ų64.442%0.41736%0.357SS..Hα-helixtrans-60.1-39.7175.8-67-22000110.8Q13 F14 Q20 A21Q13-D17 VanDerWaalsContact O-CG 3.32Å; Q13-D17 PolarHBondContact O-N 2.98Å; F14-D17 PolarHBondContact O-N 2.9Å; D17-Q20 PolarHBondContact O-N 3.27Å; D17-A21 WeakPolarHBondContact O-CB 3.4Å; D17-A21 PolarHBondContact O-N 2.99Å
18Q87.4Confident87.2Confident81 Ų8161.2 Ų61.238%0.37935%0.346SS..Hα-helixtrans-67.4-36175.8-67-64.4108.500113.1F14 L15 H16 Q20 L24 L32F14-Q18 HydrophobicContact CD1-CG 4.48Å; F14-Q18 HydrophobicContact CD2-CG 4.41Å; F14-Q18 HydrophobicContact CE1-CG 4.01Å; F14-Q18 HydrophobicContact CE2-CG 3.92Å; F14-Q18 HydrophobicContact CZ-CG 3.71Å; F14-Q18 WeakPolarHBondContact O-CG 3.49Å; F14-Q18 PolarHBondContact O-N 3.48Å; L15-Q18 PolarHBondContact O-N 2.93Å; H16-Q18 VanDerWaalsContact C-N 3.26Å; H16-Q18 PolarHBondContact O-N 2.91Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q18-L24 HydrophobicContact CB-CD1 4.44Å; Q18-L24 WeakPolarHBondContact O-CD1 3.37Å; Q18-L32 HydrophobicContact CB-CD2 4.08Å
19L87.2Confident87.2Confident28 Ų2863.8 Ų63.815%0.14736%0.356CS..Hα-helixtrans-64.4-39173.2-76.3169.6000111.6L15 H16 Q29 L32 E33L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 2.98Å; H16-L19 WeakPolarHBondContact O-CB 3.35Å; H16-L19 PolarHBondContact O-N 3.22Å; H16-L19 VanDerWaalsContact O-N 3.17Å; L19-Q29 HydrophobicContact CD2-CB 4.02Å; L19-Q29 HydrophobicContact CD2-CG 4.21Å; L19-L32 HydrophobicContact CD1-CG 4.3Å; L19-L32 HydrophobicContact CD2-CB 3.93Å; L19-L32 HydrophobicContact CD2-CD2 3.83Å; L19-L32 HydrophobicContact CD2-CG 4.01Å; L19-L32 HydrophobicContact CG-CB 4.38Å; L19-L32 HydrophobicContact CG-CD2 3.7Å; L19-L32 HydrophobicContact CG-CG 3.92Å; L19-E33 HydrophobicContact CD1-CG 3.75Å; L19-E33 HydrophobicContact CD2-CG 4.01Å
20Q84.4Confident87.2Confident156 Ų15669 Ų6973%0.72938%0.381SS*.Hα-helixtrans-76.2-27.4179.9-68.4179.813.900113.5H16 D17 Q18 G22H16-Q20 WeakPolarHBondContact O-CG 3.31Å; H16-Q20 PolarHBondContact O-N 3.4Å; D17-Q20 PolarHBondContact O-N 3.27Å; Q18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-G22 PolarHBondContact O-N 3.1Å
21A82.8Confident87.3Confident55 Ų5572.4 Ų72.446%0.45541%0.405SS..Hα-helixtrans-63.1-22.4179.800000113.6D17 D23D17-A21 WeakPolarHBondContact O-CB 3.4Å; D17-A21 PolarHBondContact O-N 2.99Å; A21-D23 VanDerWaalsContact C-N 3.26Å; A21-D23 PolarHBondContact O-N 3.28Å
22G73.1Confident87.3Confident49 Ų4971.2 Ų71.251%0.50540%0.399SS..  trans75.83.7171.100000116Q20 L24Q20-G22 PolarHBondContact O-N 3.1Å; G22-L24 VanDerWaalsContact C-N 3.26Å; G22-L24 PolarHBondContact O-N 3.46Å
23D80.1Confident87.3Confident155 Ų15576.1 Ų76.183%0.82942%0.422SS*.  trans-832.9-179.9-70.1-33.4000114A21A21-D23 VanDerWaalsContact C-N 3.26Å; A21-D23 PolarHBondContact O-N 3.28Å
24L83.9Confident87.6Confident58 Ų5876.1 Ų76.130%0.30443%0.428SS..SBendtrans-98.1147.2-175.4-67.3168.8000111.8Q18 G22 A28 Q29 L32Q18-L24 HydrophobicContact CB-CD1 4.44Å; Q18-L24 WeakPolarHBondContact O-CD1 3.37Å; G22-L24 VanDerWaalsContact C-N 3.26Å; G22-L24 PolarHBondContact O-N 3.46Å; L24-A28 HydrophobicContact CB-CB 4.35Å; L24-A28 HydrophobicContact CD2-CB 4.27Å; L24-Q29 HydrophobicContact CB-CG 3.66Å; L24-Q29 HydrophobicContact CD1-CG 4.46Å; L24-L32 HydrophobicContact CD1-CD2 3.58Å
25T90.3Very high87.6Confident98 Ų9875 Ų7560%0.60143%0.43SS*.  trans-69.2156.3169.659.70000110.7D27 A28 Q29T25-D27 VanDerWaalsContact C-N 3.3Å; T25-D27 PolarHBondContact O-N 3.01Å; T25-A28 WeakPolarHBondContact O-CA 3.34Å; T25-A28 WeakPolarHBondContact O-CB 3.4Å; T25-A28 PolarHBondContact O-N 3.38Å; T25-A28 WeakPolarHBondContact OG1-CB 3.38Å; T25-A28 PolarHBondContact OG1-N 3.36Å; T25-Q29 WeakPolarHBondContact O-CG 3.44Å; T25-Q29 PolarHBondContact O-N 3.49Å
26S87Confident87.7Confident70 Ų7074 Ų7449%0.4943%0.425SS..Hα-helixtrans-51.1-48.5178.4-164.40000112.1A28 Q29 E30S26-A28 VanDerWaalsContact C-N 3.28Å; S26-A28 PolarHBondContact O-N 3.28Å; S26-Q29 WeakPolarHBondContact O-CB 3.38Å; S26-Q29 PolarHBondContact O-N 3.31Å; S26-E30 PolarHBondContact O-N 3.19Å
27D86.8Confident87.8Confident118 Ų11877 Ų7763%0.63144%0.439SS*.Hα-helixtrans-61.2-35.8178.6-57.1-2.7000112.6T25 S31T25-D27 VanDerWaalsContact C-N 3.3Å; T25-D27 PolarHBondContact O-N 3.01Å; D27-S31 WeakPolarHBondContact O-CB 3.5Å; D27-S31 PolarHBondContact O-N 3.17Å; D27-S31 VanDerWaalsContact O-N 3.1Å; D27-S31 PolarHBondContact O-OG 3.01Å
28A86.3Confident88.1Confident34 Ų3477 Ų7728%0.28144%0.444SS..Hα-helixtrans-74.8-34.3178.500000111.8L24 T25 S26 L32L24-A28 HydrophobicContact CB-CB 4.35Å; L24-A28 HydrophobicContact CD2-CB 4.27Å; T25-A28 WeakPolarHBondContact O-CA 3.34Å; T25-A28 WeakPolarHBondContact O-CB 3.4Å; T25-A28 PolarHBondContact O-N 3.38Å; T25-A28 WeakPolarHBondContact OG1-CB 3.38Å; T25-A28 PolarHBondContact OG1-N 3.36Å; S26-A28 VanDerWaalsContact C-N 3.28Å; S26-A28 PolarHBondContact O-N 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.47Å; A28-L32 PolarHBondContact O-N 3.05Å
29Q89.1Confident88.4Confident58 Ų5875.2 Ų75.227%0.27144%0.437SS..Hα-helixtrans-64.1-49.8173.5-70.1175.2-24.900110.8L19 L24 T25 S26 S31 L32 E33L19-Q29 HydrophobicContact CD2-CB 4.02Å; L19-Q29 HydrophobicContact CD2-CG 4.21Å; L24-Q29 HydrophobicContact CB-CG 3.66Å; L24-Q29 HydrophobicContact CD1-CG 4.46Å; T25-Q29 WeakPolarHBondContact O-CG 3.44Å; T25-Q29 PolarHBondContact O-N 3.49Å; S26-Q29 WeakPolarHBondContact O-CB 3.38Å; S26-Q29 PolarHBondContact O-N 3.31Å; Q29-S31 VanDerWaalsContact C-N 3.3Å; Q29-S31 PolarHBondContact O-N 3.46Å; Q29-L32 PolarHBondContact O-N 2.94Å; Q29-L32 VanDerWaalsContact O-N 3.08Å; Q29-E33 WeakPolarHBondContact O-CG 3.46Å; Q29-E33 PolarHBondContact O-N 3.35Å
30E90.3Very high88.6Confident117 Ų11776.2 Ų76.255%0.54744%0.441SS..Hα-helixtrans-58-44176.7-70.5178.6-17000111.6S26 L32 E33 V34S26-E30 PolarHBondContact O-N 3.19Å; E30-L32 VanDerWaalsContact C-N 3.28Å; E30-L32 PolarHBondContact O-N 3.42Å; E30-E33 PolarHBondContact O-N 3.03Å; E30-V34 WeakPolarHBondContact O-CG2 3.49Å; E30-V34 PolarHBondContact O-N 3.39Å; E30-V34 VanDerWaalsContact O-N 3.13Å
31S91.8Very high89Confident82 Ų8274.4 Ų74.457%0.57344%0.441SS*.Hα-helixtrans-62.2-37.8177.5-61.30000112.4D27 Q29 A35D27-S31 WeakPolarHBondContact O-CB 3.5Å; D27-S31 PolarHBondContact O-N 3.17Å; D27-S31 VanDerWaalsContact O-N 3.1Å; D27-S31 PolarHBondContact O-OG 3.01Å; Q29-S31 VanDerWaalsContact C-N 3.3Å; Q29-S31 PolarHBondContact O-N 3.46Å; S31-A35 PolarHBondContact O-N 3.33Å; S31-A35 VanDerWaalsContact O-N 3.15Å
32L91.4Very high89.4Confident27 Ų2775.4 Ų75.414%0.14145%0.449CS..Hα-helixtrans-76.2-37.1-178.3-173.859.9000111.9L15 Q18 L19 L24 A28 Q29 E30 A35 V36L15-L32 HydrophobicContact CB-CD1 3.78Å; L15-L32 HydrophobicContact CB-CG 4.27Å; L15-L32 HydrophobicContact CD1-CD1 4.02Å; L15-L32 HydrophobicContact CD2-CD1 3.5Å; L15-L32 VanDerWaalsContact CD2-CD1 3.5Å; L15-L32 HydrophobicContact CG-CD1 3.9Å; Q18-L32 HydrophobicContact CB-CD2 4.08Å; L19-L32 HydrophobicContact CD1-CG 4.3Å; L19-L32 HydrophobicContact CD2-CB 3.93Å; L19-L32 HydrophobicContact CD2-CD2 3.83Å; L19-L32 HydrophobicContact CD2-CG 4.01Å; L19-L32 HydrophobicContact CG-CB 4.38Å; L19-L32 HydrophobicContact CG-CD2 3.7Å; L19-L32 HydrophobicContact CG-CG 3.92Å; L24-L32 HydrophobicContact CD1-CD2 3.58Å; A28-L32 WeakPolarHBondContact O-CB 3.47Å; A28-L32 PolarHBondContact O-N 3.05Å; Q29-L32 PolarHBondContact O-N 2.94Å; Q29-L32 VanDerWaalsContact O-N 3.08Å; E30-L32 VanDerWaalsContact C-N 3.28Å; E30-L32 PolarHBondContact O-N 3.42Å; L32-A35 WeakPolarHBondContact O-CB 3.45Å; L32-A35 PolarHBondContact O-N 2.98Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.22Å
33E91.9Very high90.3Very high104 Ų10477.1 Ų77.149%0.48644%0.443SS..Hα-helixtrans-60.7-43.6172.2-74.4179.1178.500111.9L19 Q29 E30 A35 V36 Q37L19-E33 HydrophobicContact CD1-CG 3.75Å; L19-E33 HydrophobicContact CD2-CG 4.01Å; Q29-E33 WeakPolarHBondContact O-CG 3.46Å; Q29-E33 PolarHBondContact O-N 3.35Å; E30-E33 PolarHBondContact O-N 3.03Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 3.46Å; E33-V36 PolarHBondContact O-N 2.9Å; E33-Q37 PolarHBondContact O-N 3.31Å; E33-Q37 VanDerWaalsContact O-N 3.09Å
34V94.8Very high90.7Very high86 Ų8675.7 Ų75.752%0.52144%0.435SS..Hα-helixtrans-62.5-43.2175.2173.50000110.9E30 V36 Q37 C38E30-V34 WeakPolarHBondContact O-CG2 3.49Å; E30-V34 PolarHBondContact O-N 3.39Å; E30-V34 VanDerWaalsContact O-N 3.13Å; V34-V36 VanDerWaalsContact C-N 3.32Å; V34-V36 PolarHBondContact O-N 3.08Å; V34-Q37 PolarHBondContact O-N 3.17Å; V34-C38 PolarHBondContact O-N 3.29Å; V34-C38 PolarHBondContact O-SG 3.34Å; V34-C38 VanDerWaalsContact O-SG 3.33Å
35A93.2Very high90.8Very high40 Ų4073.4 Ų73.433%0.33142%0.423SS..Hα-helixtrans-61.2-41.2178.200000112.2S31 L32 E33 C38 L39S31-A35 PolarHBondContact O-N 3.33Å; S31-A35 VanDerWaalsContact O-N 3.15Å; L32-A35 WeakPolarHBondContact O-CB 3.45Å; L32-A35 PolarHBondContact O-N 2.98Å; E33-A35 VanDerWaalsContact C-N 3.34Å; E33-A35 PolarHBondContact O-N 3.46Å; A35-C38 PolarHBondContact O-N 3.15Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 3.27Å
36V92.4Very high90.5Very high4 Ų471.1 Ų71.12%0.02441%0.412CS..Hα-helixtrans-59.1-52.4174.6165.80000110.9I12 L15 H16 L32 E33 V34 C38 L39 E40I12-V36 HydrophobicContact CG2-CG1 4.09Å; L15-V36 HydrophobicContact CB-CG2 3.6Å; L15-V36 HydrophobicContact CD1-CG2 3.97Å; L15-V36 HydrophobicContact CG-CG2 4.45Å; H16-V36 WeakPolarHBondContact NE2-CG1 3.47Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 3.22Å; E33-V36 PolarHBondContact O-N 2.9Å; V34-V36 VanDerWaalsContact C-N 3.32Å; V34-V36 PolarHBondContact O-N 3.08Å; V36-C38 VanDerWaalsContact C-N 3.29Å; V36-C38 PolarHBondContact O-N 2.88Å; V36-L39 PolarHBondContact O-N 3.35Å; V36-E40 HydrophobicContact CG1-CG 4.35Å; V36-E40 WeakPolarHBondContact O-CG 3.3Å; V36-E40 PolarHBondContact O-N 3.01Å
37Q92.3Very high89.9Confident118 Ų11870.4 Ų70.455%0.55140%0.404SS*.Hα-helixtrans-61-37.8-179.4-71.3175.53.200112.7E33 V34 T41E33-Q37 PolarHBondContact O-N 3.31Å; E33-Q37 VanDerWaalsContact O-N 3.09Å; V34-Q37 PolarHBondContact O-N 3.17Å; Q37-T41 WeakPolarHBondContact O-CB 3.43Å; Q37-T41 PolarHBondContact O-N 3.44Å; Q37-T41 PolarHBondContact O-OG1 3.04Å
38C94Very high89.4Confident78 Ų7871.6 Ų71.653%0.52741%0.41SS..Hα-helixtrans-62.2-42.6174.1-73.10000111.9V34 A35 V36 A42V34-C38 PolarHBondContact O-N 3.29Å; V34-C38 PolarHBondContact O-SG 3.34Å; V34-C38 VanDerWaalsContact O-SG 3.33Å; A35-C38 PolarHBondContact O-N 3.15Å; V36-C38 VanDerWaalsContact C-N 3.29Å; V36-C38 PolarHBondContact O-N 2.88Å; C38-A42 WeakPolarHBondContact O-CB 3.48Å; C38-A42 PolarHBondContact O-N 2.94Å
39L92.6Very high89.2Confident44 Ų4473 Ų7323%0.2341%0.413CS..Hα-helixtrans-69.5-42.3179.1-71.1171.6000112I11 I12 L15 A35 V36 T41 A42 F43I11-L39 HydrophobicContact CG2-CD1 3.87Å; I12-L39 HydrophobicContact CD1-CB 3.92Å; I12-L39 HydrophobicContact CG1-CB 3.77Å; I12-L39 HydrophobicContact CG1-CD1 4.29Å; L15-L39 HydrophobicContact CD1-CD1 3.9Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 3.27Å; V36-L39 PolarHBondContact O-N 3.35Å; L39-T41 VanDerWaalsContact C-N 3.33Å; L39-T41 PolarHBondContact O-N 2.92Å; L39-A42 PolarHBondContact O-N 3.41Å; L39-F43 HydrophobicContact CD2-CD2 4.26Å; L39-F43 HydrophobicContact CD2-CE2 3.97Å; L39-F43 WeakPolarHBondContact O-CD2 3.35Å; L39-F43 PolarHBondContact O-N 3.31Å
40E91.8Very high88.5Confident50 Ų5077.2 Ų77.223%0.23443%0.433CS..Hα-helixtrans-57.5-47.1174.9-71.5-177.9142.600111.2I12 V36 D44 V45I12-E40 HydrophobicContact CD1-CG 3.84Å; I12-E40 HydrophobicContact CG1-CG 4.47Å; I12-E40 HydrophobicContact CG2-CG 4.33Å; V36-E40 HydrophobicContact CG1-CG 4.35Å; V36-E40 WeakPolarHBondContact O-CG 3.3Å; V36-E40 PolarHBondContact O-N 3.01Å; E40-D44 VanDerWaalsContact O-CA 3.32Å; E40-D44 WeakPolarHBondContact O-CA 3.29Å; E40-D44 PolarHBondContact O-N 2.87Å; E40-V45 WeakPolarHBondContact CA-O 3.4Å; E40-V45 WeakPolarHBondContact CB-O 3.35Å; E40-V45 WeakPolarHBondContact CG-O 3.45Å; E40-V45 PolarHBondContact O-N 3.33Å; E40-V45 VanDerWaalsContact O-N 3.15Å
41T92.8Very high88.1Confident118 Ų11875.2 Ų75.272%0.72443%0.432SS*.Hα-helixtrans-68.3-43.6179.7-550000112.1Q37 L39 F43Q37-T41 WeakPolarHBondContact O-CB 3.43Å; Q37-T41 PolarHBondContact O-N 3.44Å; Q37-T41 PolarHBondContact O-OG1 3.04Å; L39-T41 VanDerWaalsContact C-N 3.33Å; L39-T41 PolarHBondContact O-N 2.92Å; T41-F43 PolarHBondContact O-N 3.09Å
42A92Very high87.6Confident76 Ų7671.9 Ų71.963%0.62841%0.408SS*.Hα-helixtrans-68.6-34.8-175.800000112.7C38 L39C38-A42 WeakPolarHBondContact O-CB 3.48Å; C38-A42 PolarHBondContact O-N 2.94Å; L39-A42 PolarHBondContact O-N 3.41Å
43F90.9Very high87Confident84 Ų8472 Ų7237%0.36841%0.412SS..Hα-helixtrans-102.7-4.8-176.9-70.1-83.2000113.8K5 A8 L39 T41 V45K5-F43 WeakPolarHBondContact CE-O 3.1Å; K5-F43 PolarHBondContact NZ-O 3.12Å; A8-F43 HydrophobicContact CB-CB 3.73Å; A8-F43 HydrophobicContact CB-CD1 4Å; A8-F43 HydrophobicContact CB-CD2 3.74Å; A8-F43 HydrophobicContact CB-CE2 4.36Å; A8-F43 HydrophobicContact CB-CG 3.53Å; L39-F43 HydrophobicContact CD2-CD2 4.26Å; L39-F43 HydrophobicContact CD2-CE2 3.97Å; L39-F43 WeakPolarHBondContact O-CD2 3.35Å; L39-F43 PolarHBondContact O-N 3.31Å; T41-F43 PolarHBondContact O-N 3.09Å; F43-V45 HydrophobicContact CB-CB 4.46Å; F43-V45 HydrophobicContact CB-CG2 3.84Å
44D89.2Confident86.5Confident126 Ų12669.6 Ų69.667%0.67441%0.405SS*.THydrogen-bonded Turntrans53.157.5-175.7176.855.4000109.7K5 E40K5-D44 PolarHBondContact NZ-O 3.31Å; K5-D44 IonicContact NZ-OD2 2.84Å; K5-D44 PolarHBondContact NZ-OD2 3.49Å; E40-D44 VanDerWaalsContact O-CA 3.32Å; E40-D44 WeakPolarHBondContact O-CA 3.29Å; E40-D44 PolarHBondContact O-N 2.87Å
45V86.9Confident85.6Confident9 Ų971.8 Ų71.86%0.05542%0.421CS..  trans-130.3136.3-175.41730000108.6K5 F9 I12 E40 F43 L52K5-V45 HydrophobicContact CB-CG2 3.83Å; K5-V45 HydrophobicContact CD-CG2 4.18Å; K5-V45 HydrophobicContact CG-CG2 3.92Å; F9-V45 HydrophobicContact CB-CG1 3.83Å; F9-V45 HydrophobicContact CD2-CG1 3.74Å; F9-V45 HydrophobicContact CG-CG1 4.28Å; I12-V45 HydrophobicContact CD1-CB 4.38Å; I12-V45 HydrophobicContact CD1-CG1 4.15Å; E40-V45 WeakPolarHBondContact CA-O 3.4Å; E40-V45 WeakPolarHBondContact CB-O 3.35Å; E40-V45 WeakPolarHBondContact CG-O 3.45Å; E40-V45 PolarHBondContact O-N 3.33Å; E40-V45 VanDerWaalsContact O-N 3.15Å; F43-V45 HydrophobicContact CB-CB 4.46Å; F43-V45 HydrophobicContact CB-CG2 3.84Å; V45-L52 HydrophobicContact CB-CD1 4.49Å; V45-L52 HydrophobicContact CG1-CD1 3.9Å; V45-L52 HydrophobicContact CG2-CD1 4.03Å
46S82.9Confident84.9Confident51 Ų5173.7 Ų73.736%0.35742%0.424SS..  trans-120.1146.4172.8166.40000109.3F9 D48 D49F9-S46 WeakPolarHBondContact CE2-O 3.39Å; S46-D48 PolarHBondContact O-N 2.98Å; S46-D48 PolarHBondContact OG-N 3.43Å; S46-D49 WeakPolarHBondContact O-CB 3.49Å; S46-D49 PolarHBondContact O-N 3.07Å; S46-D49 VanDerWaalsContact O-N 3.12Å
47T74.8Confident84.5Confident54 Ų5476.5 Ų76.533%0.33144%0.441SS..THydrogen-bonded Turntrans-61.5-19.2174.244.30000113.8I12 D49I12-T47 HydrophobicContact CG2-CG2 3.55Å; T47-D49 VanDerWaalsContact C-N 3.31Å
48D77Confident84.1Confident143 Ų14373.2 Ų73.277%0.76543%0.427SS*.THydrogen-bonded Turntrans-79.9-11.4176.3-62.7-52000113.2S46 Q50S46-D48 PolarHBondContact O-N 2.98Å; S46-D48 PolarHBondContact OG-N 3.43Å; D48-Q50 VanDerWaalsContact C-N 3.34Å; D48-Q50 PolarHBondContact O-N 3.44Å
49D80.3Confident83.6Confident64 Ų6472.5 Ų72.534%0.34242%0.422SS..  trans-81.378.2-179.1-168.6-8.1000111.9F9 S46 T47 S51 L52F9-D49 WeakPolarHBondContact CE2-O 3.35Å; S46-D49 WeakPolarHBondContact O-CB 3.49Å; S46-D49 PolarHBondContact O-N 3.07Å; S46-D49 VanDerWaalsContact O-N 3.12Å; T47-D49 VanDerWaalsContact C-N 3.31Å; D49-S51 PolarHBondContact O-N 3.26Å; D49-S51 VanDerWaalsContact OD1-CB 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.14Å; D49-S51 PolarHBondContact OD1-N 3.15Å; D49-S51 VanDerWaalsContact OD1-N 3.15Å; D49-S51 PolarHBondContact OD1-OG 3.38Å; D49-L52 HydrophobicContact CB-CD1 4.15Å; D49-L52 HydrophobicContact CB-CG 4.42Å; D49-L52 WeakPolarHBondContact O-CB 3.16Å; D49-L52 PolarHBondContact O-N 3.46Å
50Q76.1Confident83.1Confident146 Ų14675.1 Ų75.168%0.68243%0.433SS*.G310 helixtrans-59-14.9178.7-161.464.825.400113.5D48 L52 A53D48-Q50 VanDerWaalsContact C-N 3.34Å; D48-Q50 PolarHBondContact O-N 3.44Å; Q50-L52 PolarHBondContact O-N 3.19Å; Q50-A53 VanDerWaalsContact O-CB 3.27Å; Q50-A53 WeakPolarHBondContact O-CB 3.44Å; Q50-A53 PolarHBondContact O-N 3.48Å
51S80.8Confident82.7Confident75 Ų7575.9 Ų75.952%0.52444%0.438SS..G310 helixtrans-70-22176.482.90000112.9R6 D49R6-S51 PolarHBondContact NH1-O 3.13Å; R6-S51 PolarHBondContact NH2-O 3.43Å; D49-S51 PolarHBondContact O-N 3.26Å; D49-S51 VanDerWaalsContact OD1-CB 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.14Å; D49-S51 PolarHBondContact OD1-N 3.15Å; D49-S51 VanDerWaalsContact OD1-N 3.15Å; D49-S51 PolarHBondContact OD1-OG 3.38Å
52L81.3Confident82.2Confident12 Ų1277 Ų776%0.06343%0.433CS..G310 helixtrans-88.6-10.9176.8-63176.7000113K5 R6 F9 V45 D49 Q50 V54K5-L52 HydrophobicContact CB-CD1 4.3Å; K5-L52 HydrophobicContact CB-CD2 4.05Å; R6-L52 HydrophobicContact CG-CD2 3.97Å; F9-L52 HydrophobicContact CB-CB 3.97Å; F9-L52 HydrophobicContact CB-CD1 4.42Å; F9-L52 HydrophobicContact CD1-CB 4.25Å; F9-L52 HydrophobicContact CD2-CB 3.81Å; F9-L52 HydrophobicContact CD2-CD1 4.22Å; F9-L52 HydrophobicContact CE2-CB 4.36Å; F9-L52 HydrophobicContact CG-CB 3.74Å; V45-L52 HydrophobicContact CB-CD1 4.49Å; V45-L52 HydrophobicContact CG1-CD1 3.9Å; V45-L52 HydrophobicContact CG2-CD1 4.03Å; D49-L52 HydrophobicContact CB-CD1 4.15Å; D49-L52 HydrophobicContact CB-CG 4.42Å; D49-L52 WeakPolarHBondContact O-CB 3.16Å; D49-L52 PolarHBondContact O-N 3.46Å; Q50-L52 PolarHBondContact O-N 3.19Å; L52-V54 PolarHBondContact O-N 3.48Å
53A80.1Confident81.6Confident29 Ų2976 Ų7624%0.2442%0.424CS..  trans-56137.1178.200000111.4R6 F9 Q50R6-A53 PolarHBondContact NH1-O 3.49Å; F9-A53 HydrophobicContact CE1-CB 4.17Å; Q50-A53 VanDerWaalsContact O-CB 3.27Å; Q50-A53 WeakPolarHBondContact O-CB 3.44Å; Q50-A53 PolarHBondContact O-N 3.48Å
54V80.4Confident81Confident54 Ų5474.3 Ų74.333%0.32742%0.423SS..  trans-109140.9179.6-171.60000107.4R6 L52 M56 I61R6-V54 HydrophobicContact CB-CG2 4.25Å; L52-V54 PolarHBondContact O-N 3.48Å; V54-M56 PolarHBondContact O-N 3.05Å; V54-M56 VanDerWaalsContact O-N 3.1Å; V54-I61 HydrophobicContact CG1-CD1 4.27Å
55P76.2Confident80.5Confident133 Ų13370.6 Ų70.686%0.86441%0.41SS*.SBendtrans-66.1-11.4-175.124.4-36.2000115.1
56M77.7Confident79.6Confident79 Ų7973.1 Ų73.139%0.38943%0.425SS..SBendtrans-123.3142.8175.9-66-17868.900109.1V54 E60 I61V54-M56 PolarHBondContact O-N 3.05Å; V54-M56 VanDerWaalsContact O-N 3.1Å; M56-E60 HydrophobicContact CB-CB 4.44Å; M56-E60 HydrophobicContact CE-CB 3.82Å; M56-I61 HydrophobicContact CB-CD1 4.19Å; M56-I61 HydrophobicContact CB-CG1 3.66Å; M56-I61 WeakPolarHBondContact O-CD1 3.19Å
57T83.6Confident78.8Confident64 Ų6474 Ų7439%0.39344%0.436SS..  trans-72.5158.1175.363.30000111.2P59 E60 I61T57-P59 VanDerWaalsContact C-N 3.34Å; T57-E60 PolarHBondContact N-OE2 3.47Å; T57-E60 PolarHBondContact O-N 3.41Å; T57-E60 VanDerWaalsContact O-N 3.1Å; T57-E60 WeakPolarHBondContact OG1-CG 3.36Å; T57-E60 PolarHBondContact OG1-N 3.33Å; T57-E60 PolarHBondContact OG1-OE2 3.05Å; T57-I61 VanDerWaalsContact O-CG1 3.31Å; T57-I61 WeakPolarHBondContact O-CG1 3.39Å; T57-I61 PolarHBondContact O-N 2.9Å
58L85.4Confident77.9Confident48 Ų4879.2 Ų79.225%0.25145%0.454SS..Hα-helixtrans-55.7-42.4178.2-166.477.8000112.8I11 F14 E60 I61 F62I11-L58 HydrophobicContact CG1-CD1 4.36Å; I11-L58 HydrophobicContact CG1-CD2 4.05Å; F14-L58 HydrophobicContact CB-CB 4.27Å; F14-L58 HydrophobicContact CB-CD2 4.12Å; F14-L58 HydrophobicContact CD1-CD2 4.27Å; F14-L58 HydrophobicContact CG-CD2 4.21Å; L58-E60 PolarHBondContact O-N 3.08Å; L58-I61 PolarHBondContact O-N 2.87Å; L58-F62 WeakPolarHBondContact O-CB 3.26Å; L58-F62 PolarHBondContact O-N 2.9Å
59P83.4Confident76.4Confident64 Ų6480.6 Ų80.642%0.41645%0.454SS..Hα-helixtrans-62.9-38.9174.2-24.536.6000113.6F14 T57 F62 A63F14-P59 HydrophobicContact CD2-CG 3.76Å; F14-P59 HydrophobicContact CE2-CG 3.91Å; T57-P59 VanDerWaalsContact C-N 3.34Å; P59-F62 PolarHBondContact O-N 3.49Å; P59-A63 VanDerWaalsContact O-CB 3.25Å; P59-A63 WeakPolarHBondContact O-CB 3.34Å; P59-A63 PolarHBondContact O-N 2.98Å
60E82.4Confident74.5Confident99 Ų9982 Ų8246%0.46347%0.466SS..Hα-helixtrans-69.9-38.4177.4-70.3168142.800112.1M56 T57 L58 F62 A63 S64M56-E60 HydrophobicContact CB-CB 4.44Å; M56-E60 HydrophobicContact CE-CB 3.82Å; T57-E60 PolarHBondContact N-OE2 3.47Å; T57-E60 PolarHBondContact O-N 3.41Å; T57-E60 VanDerWaalsContact O-N 3.1Å; T57-E60 WeakPolarHBondContact OG1-CG 3.36Å; T57-E60 PolarHBondContact OG1-N 3.33Å; T57-E60 PolarHBondContact OG1-OE2 3.05Å; L58-E60 PolarHBondContact O-N 3.08Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-A63 PolarHBondContact O-N 3.45Å; E60-S64 VanDerWaalsContact O-CB 3.23Å; E60-S64 WeakPolarHBondContact O-CB 3.46Å; E60-S64 PolarHBondContact O-N 3.27Å
61I82.8Confident72.9Confident65 Ų6579.7 Ų79.733%0.33347%0.472SS..Hα-helixtrans-62.3-45.7173.4-67.1167.5000109.3V54 M56 T57 L58 S64 A65V54-I61 HydrophobicContact CG1-CD1 4.27Å; M56-I61 HydrophobicContact CB-CD1 4.19Å; M56-I61 HydrophobicContact CB-CG1 3.66Å; M56-I61 WeakPolarHBondContact O-CD1 3.19Å; T57-I61 VanDerWaalsContact O-CG1 3.31Å; T57-I61 WeakPolarHBondContact O-CG1 3.39Å; T57-I61 PolarHBondContact O-N 2.9Å; L58-I61 PolarHBondContact O-N 2.87Å; I61-S64 PolarHBondContact O-N 3.45Å; I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.33Å; I61-A65 PolarHBondContact O-N 2.86Å
62F81.5Confident71.1Confident143 Ų14384.2 Ų84.263%0.62749%0.485SS*.Hα-helixtrans-62.9-45176.1-177.8-95.7000111.7L58 P59 E60 S64 A65 T66L58-F62 WeakPolarHBondContact O-CB 3.26Å; L58-F62 PolarHBondContact O-N 2.9Å; P59-F62 PolarHBondContact O-N 3.49Å; E60-F62 VanDerWaalsContact C-N 3.33Å; F62-S64 VanDerWaalsContact C-N 3.34Å; F62-S64 PolarHBondContact O-N 3.25Å; F62-A65 PolarHBondContact O-N 2.82Å; F62-T66 HydrophobicContact CD1-CG2 4.12Å; F62-T66 HydrophobicContact CD2-CG2 4.36Å; F62-T66 HydrophobicContact CE1-CG2 3.71Å; F62-T66 HydrophobicContact CE2-CG2 3.98Å; F62-T66 HydrophobicContact CG-CG2 4.43Å; F62-T66 HydrophobicContact CZ-CG2 3.63Å; F62-T66 WeakPolarHBondContact O-CB 3.45Å; F62-T66 VanDerWaalsContact O-CG2 3.32Å; F62-T66 WeakPolarHBondContact O-CG2 3.31Å; F62-T66 PolarHBondContact O-N 2.93Å; F62-T66 PolarHBondContact O-OG1 3.34Å
63A80.1Confident69Low54 Ų5488.6 Ų88.645%0.44652%0.516SS..Hα-helixtrans-62.2-40.6176.500000111.6P59 E60 T66 A67P59-A63 VanDerWaalsContact O-CB 3.25Å; P59-A63 WeakPolarHBondContact O-CB 3.34Å; P59-A63 PolarHBondContact O-N 2.98Å; E60-A63 PolarHBondContact O-N 3.45Å; A63-T66 WeakPolarHBondContact CA-OG1 3.32Å; A63-T66 PolarHBondContact O-OG1 3.43Å; A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 2.94Å
64S78Confident67.1Low48 Ų4895.7 Ų95.734%0.33654%0.544SS..Hα-helixtrans-69.2-40.2176.5-171.10000112.2E60 I61 F62 A67 K68E60-S64 VanDerWaalsContact O-CB 3.23Å; E60-S64 WeakPolarHBondContact O-CB 3.46Å; E60-S64 PolarHBondContact O-N 3.27Å; I61-S64 PolarHBondContact O-N 3.45Å; F62-S64 VanDerWaalsContact C-N 3.34Å; F62-S64 PolarHBondContact O-N 3.25Å; S64-A67 PolarHBondContact O-N 3.43Å; S64-K68 WeakPolarHBondContact O-CG 3.21Å; S64-K68 PolarHBondContact O-N 3.24Å
65A77.9Confident65.1Low49 Ų4997.2 Ų97.241%0.40556%0.563SS.*Hα-helixtrans-67-41.9176.800000111.4I61 F62 K68 F69I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.33Å; I61-A65 PolarHBondContact O-N 2.86Å; F62-A65 PolarHBondContact O-N 2.82Å; A65-K68 PolarHBondContact O-N 2.89Å; A65-F69 WeakPolarHBondContact O-CD2 3.47Å
66T69.5Low63.2Low61 Ų6197.5 Ų97.537%0.37456%0.557SS.*Hα-helixtrans-74.5-30175.654.80000112.3F62 A63 K68 F69F62-T66 HydrophobicContact CD1-CG2 4.12Å; F62-T66 HydrophobicContact CD2-CG2 4.36Å; F62-T66 HydrophobicContact CE1-CG2 3.71Å; F62-T66 HydrophobicContact CE2-CG2 3.98Å; F62-T66 HydrophobicContact CG-CG2 4.43Å; F62-T66 HydrophobicContact CZ-CG2 3.63Å; F62-T66 WeakPolarHBondContact O-CB 3.45Å; F62-T66 VanDerWaalsContact O-CG2 3.32Å; F62-T66 WeakPolarHBondContact O-CG2 3.31Å; F62-T66 PolarHBondContact O-N 2.93Å; F62-T66 PolarHBondContact O-OG1 3.34Å; A63-T66 WeakPolarHBondContact CA-OG1 3.32Å; A63-T66 PolarHBondContact O-OG1 3.43Å; T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact O-N 3.1Å; T66-F69 CarbonylContact O-C 3.07Å; T66-F69 PolarHBondContact O-N 3.47Å
67A66.4Low61.3Low71 Ų71100 Ų10059%0.58757%0.572SS**Hα-helixtrans-66.2-26.9172.100000113.2A63 S64 F69A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 2.94Å; S64-A67 PolarHBondContact O-N 3.43Å; A67-F69 VanDerWaalsContact C-N 3.25Å
68K55.1Low59.4Low163 Ų163105.2 Ų105.271%0.70960%0.597SS**THydrogen-bonded Turntrans-74.8-14.2171.9-71.4172.5-176.1173.50113.4S64 A65 T66S64-K68 WeakPolarHBondContact O-CG 3.21Å; S64-K68 PolarHBondContact O-N 3.24Å; A65-K68 PolarHBondContact O-N 2.89Å; T66-K68 VanDerWaalsContact C-N 3.27Å; T66-K68 PolarHBondContact O-N 3.1Å
69F44.6Very low57Low172 Ų172108.9 Ų108.975%0.75462%0.622SS**SBendtrans-118.577.7169.2-66.8-78.4000107.9A65 T66 A67 A71A65-F69 WeakPolarHBondContact O-CD2 3.47Å; T66-F69 CarbonylContact O-C 3.07Å; T66-F69 PolarHBondContact O-N 3.47Å; A67-F69 VanDerWaalsContact C-N 3.25Å; F69-A71 PolarHBondContact O-N 3.04Å
70P40.5Very low54.9Low92 Ų92109.4 Ų109.460%0.59763%0.632SS**  trans-54.1108.2-169.519.9-30.2000110.3E72P70-E72 HydrophobicContact CB-CG 4.09Å; P70-E72 PolarHBondContact O-N 2.83Å
71A44.2Very low53Low98 Ų98111.3 Ų111.381%0.8165%0.653SS**  trans-67.590.5146.900000104.1F69 S73F69-A71 PolarHBondContact O-N 3.04Å; A71-S73 PolarHBondContact O-N 3.21Å
72E41.9Very low51.5Low171 Ų171112.7 Ų112.780%0.79967%0.668SS**  trans-56.9115.4-179.4-75.5-171.8162.700109.5P70 H74P70-E72 HydrophobicContact CB-CG 4.09Å; P70-E72 PolarHBondContact O-N 2.83Å; E72-H74 PolarHBondContact O-N 2.97Å
73S36.7Very low50.7Low103 Ų103110.2 Ų110.272%0.7267%0.668SS**  trans-64110.7173.6540000110.1A71 A75A71-S73 PolarHBondContact O-N 3.21Å; S73-A75 VanDerWaalsContact C-N 3.27Å; S73-A75 PolarHBondContact O-N 2.91Å
74H40.4Very low50.9Low178 Ų178108.9 Ų108.982%0.82466%0.655SS**  trans-81.283.7148.9-78.8-57.8000108.6E72E72-H74 PolarHBondContact O-N 2.97Å
75A39.7Very low51.4Low87 Ų87110 Ų11072%0.71966%0.66SS**  trans-102.789.1159.800000108.4S73S73-A75 VanDerWaalsContact C-N 3.27Å; S73-A75 PolarHBondContact O-N 2.91Å
76N35.8Very low52Low138 Ų138114.1 Ų114.174%0.73867%0.671SS**SBendtrans-161.5118.4132.4-129.7-13.9000112.2
77N37.5Very low52.9Low132 Ų132119 Ų11971%0.70669%0.689SS**SBendtrans59.5107155.9-61.8-25.4000119.8T79N77-T79 PolarHBondContact O-N 3Å
78N43.5Very low54.1Low174 Ų174118.4 Ų118.493%0.9368%0.675SS**  trans32.980.4144.1-90.7-7.7000115.7
79T35.2Very low55.9Low125 Ų125113.6 Ų113.677%0.76765%0.653SS**  trans-143.7138.4146.7-27.20000107.5N77N77-T79 PolarHBondContact O-N 3Å
80A38.7Very low58.3Low75 Ų75108.2 Ų108.262%0.6264%0.641SS**  trans-41.3156.6170.600000111.7S82A80-S82 VanDerWaalsContact C-N 3.3Å; A80-S82 WeakPolarHBondContact O-CA 3.49Å; A80-S82 PolarHBondContact O-N 3.46Å
81P42.3Very low60.8Low139 Ų139107.9 Ų107.990%0.90363%0.631SS**SBendtrans-52.895-175.223-34.1000109.8S83P81-S83 PolarHBondContact O-N 2.98Å
82S51.2Low63.3Low94 Ų94103.2 Ų103.266%0.65759%0.593SS**  trans-81.4121.7-16549.60000106.4A80A80-S82 VanDerWaalsContact C-N 3.3Å; A80-S82 WeakPolarHBondContact O-CA 3.49Å; A80-S82 PolarHBondContact O-N 3.46Å
83S66.5Low65.9Low90 Ų9098.4 Ų98.463%0.62957%0.57SS**  trans-36.9140.316749.10000111.2P81 T85P81-S83 PolarHBondContact O-N 2.98Å; S83-T85 PolarHBondContact O-N 2.76Å
84P82.8Confident68.8Low27 Ų27101.8 Ų101.818%0.17557%0.567CS.*  trans-48.8139.4-179.2-26.633.1000111.7Q88 K89 N122P84-Q88 HydrophobicContact CB-CB 4.34Å; P84-K89 HydrophobicContact CB-CG 4Å; P84-K89 WeakPolarHBondContact O-CE 3.38Å; P84-N122 HydrophobicContact CB-CB 4.36Å; P84-N122 HydrophobicContact CG-CB 4.07Å
85T90.1Very high71.5Confident70 Ų7094.1 Ų94.143%0.42953%0.532SS..  trans-60.7155.617460.50000110.5S83 E87 Q88 K89S83-T85 PolarHBondContact O-N 2.76Å; T85-E87 PolarHBondContact O-N 3.1Å; T85-Q88 PolarHBondContact O-N 2.95Å; T85-Q88 VanDerWaalsContact O-N 3.13Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.48Å; T85-Q88 VanDerWaalsContact OG1-CD 3.25Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.46Å; T85-Q88 PolarHBondContact OG1-N 3.47Å; T85-Q88 PolarHBondContact OG1-OE1 3.45Å; T85-K89 WeakPolarHBondContact O-CG 3.39Å; T85-K89 PolarHBondContact O-N 3.29Å
86E88.9Confident74.3Confident136 Ų13691.8 Ų91.864%0.63651%0.506SS*.Hα-helixtrans-60.2-32.5178.3-68.7-55.1126.900112.4K89 A90E86-K89 PolarHBondContact O-N 2.96Å; E86-K89 IonicContact OE1-NZ 2.65Å; E86-K89 PolarHBondContact OE1-NZ 2.98Å; E86-A90 WeakPolarHBondContact O-CB 3.43Å; E86-A90 PolarHBondContact O-N 3.46Å
87E89.9Confident77.2Confident163 Ų16388.1 Ų88.176%0.76249%0.489SS*.Hα-helixtrans-64.8-46.5173.7-69.9160-176.700111.6T85 K89 A90 E91T85-E87 PolarHBondContact O-N 3.1Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.12Å; E87-A90 PolarHBondContact O-N 3.24Å; E87-E91 WeakPolarHBondContact O-CB 3.36Å; E87-E91 PolarHBondContact O-N 3.42Å
88Q90.8Very high80.1Confident60 Ų6084.9 Ų84.928%0.2847%0.471SS..Hα-helixtrans-62.7-38.4174.9-73.9166.4-4200112.1P84 T85 A92P84-Q88 HydrophobicContact CB-CB 4.34Å; T85-Q88 PolarHBondContact O-N 2.95Å; T85-Q88 VanDerWaalsContact O-N 3.13Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.48Å; T85-Q88 VanDerWaalsContact OG1-CD 3.25Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.46Å; T85-Q88 PolarHBondContact OG1-N 3.47Å; T85-Q88 PolarHBondContact OG1-OE1 3.45Å; Q88-A92 VanDerWaalsContact O-CB 3.27Å; Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 3.33Å
89K92.4Very high82.7Confident61 Ų6176.6 Ų76.627%0.26543%0.427SS..Hα-helixtrans-64.6-45.6174.8-68.7177.4-171.9162.30111.4P84 T85 E86 E87 E91 A92 E93P84-K89 HydrophobicContact CB-CG 4Å; P84-K89 WeakPolarHBondContact O-CE 3.38Å; T85-K89 WeakPolarHBondContact O-CG 3.39Å; T85-K89 PolarHBondContact O-N 3.29Å; E86-K89 PolarHBondContact O-N 2.96Å; E86-K89 IonicContact OE1-NZ 2.65Å; E86-K89 PolarHBondContact OE1-NZ 2.98Å; E87-K89 VanDerWaalsContact C-N 3.32Å; E87-K89 PolarHBondContact O-N 3.12Å; K89-E91 VanDerWaalsContact C-N 3.33Å; K89-E91 PolarHBondContact O-N 3.01Å; K89-A92 PolarHBondContact O-N 2.98Å; K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.46Å
90A94.6Very high85.7Confident59 Ų5973 Ų7349%0.48840%0.403SS..Hα-helixtrans-61.6-42.6178.600000111.7E86 E87 E93 R94E86-A90 WeakPolarHBondContact O-CB 3.43Å; E86-A90 PolarHBondContact O-N 3.46Å; E87-A90 PolarHBondContact O-N 3.24Å; A90-E93 PolarHBondContact O-N 2.96Å; A90-R94 PolarHBondContact O-N 2.87Å
91E94.4Very high88.6Confident85 Ų8572.5 Ų72.540%0.39739%0.39SS..Hα-helixtrans-67.1-41175.9-174.857.3-152.500111.8E87 K89 E93 R94 L95 L121E87-E91 WeakPolarHBondContact O-CB 3.36Å; E87-E91 PolarHBondContact O-N 3.42Å; K89-E91 VanDerWaalsContact C-N 3.33Å; K89-E91 PolarHBondContact O-N 3.01Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 PolarHBondContact O-N 3.49Å; E91-R94 WeakPolarHBondContact O-CB 3.39Å; E91-R94 PolarHBondContact O-N 2.99Å; E91-R94 VanDerWaalsContact O-N 3.13Å; E91-L95 HydrophobicContact CG-CD1 4.23Å; E91-L95 WeakPolarHBondContact O-CG 3.36Å; E91-L95 PolarHBondContact O-N 3.01Å; E91-L121 HydrophobicContact CB-CD1 3.85Å; E91-L121 HydrophobicContact CG-CD1 3.58Å
92A95.5Very high91.2Very high0 Ų068.3 Ų68.30%036%0.358CS..Hα-helixtrans-59.8-38.6174.300000112.3Q88 K89 L95 K96 A118 L121 N122 Y128Q88-A92 VanDerWaalsContact O-CB 3.27Å; Q88-A92 WeakPolarHBondContact O-CB 3.43Å; Q88-A92 PolarHBondContact O-N 3.33Å; K89-A92 PolarHBondContact O-N 2.98Å; A92-L95 PolarHBondContact O-N 3.48Å; A92-K96 WeakPolarHBondContact O-CB 3.42Å; A92-K96 PolarHBondContact O-N 3.5Å; A92-A118 HydrophobicContact CB-CB 4.37Å; A92-A118 WeakPolarHBondContact O-CB 3.29Å; A92-L121 HydrophobicContact CB-CB 3.89Å; A92-L121 HydrophobicContact CB-CD1 4.42Å; A92-N122 HydrophobicContact CB-CB 4.07Å; A92-Y128 HydrophobicContact CB-CE2 3.75Å; A92-Y128 VanDerWaalsContact CB-OH 3.29Å; A92-Y128 WeakPolarHBondContact CB-OH 3.4Å
93E96.6Very high93.4Very high71 Ų7165.9 Ų65.933%0.33234%0.337SS..Hα-helixtrans-69.3-33.9176.3-72.9-64153.400112.5K89 A90 E91 K96 T97 N125 Y128K89-E93 WeakPolarHBondContact O-CG 3.44Å; K89-E93 PolarHBondContact O-N 3.46Å; A90-E93 PolarHBondContact O-N 2.96Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 PolarHBondContact O-N 3.49Å; E93-K96 WeakPolarHBondContact OE2-CE 3.39Å; E93-K96 IonicContact OE2-NZ 2.74Å; E93-K96 PolarHBondContact OE2-NZ 3.06Å; E93-T97 PolarHBondContact O-N 3.38Å; E93-T97 VanDerWaalsContact O-N 3.07Å; E93-T97 PolarHBondContact O-OG1 2.99Å; E93-N125 PolarHBondContact OE1-ND2 2.82Å; E93-Y128 PolarHBondContact N-OH 3.32Å; E93-Y128 PolarHBondContact OE1-OH 3.12Å
94R97.4Very high95Very high174 Ų17469 Ų6966%0.65734%0.339SS*.Hα-helixtrans-64.5-50.7170-75.8-167.2175.5-173.11.2111.5A90 E91 K96 T97 D98A90-R94 PolarHBondContact O-N 2.87Å; E91-R94 WeakPolarHBondContact O-CB 3.39Å; E91-R94 PolarHBondContact O-N 2.99Å; E91-R94 VanDerWaalsContact O-N 3.13Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 3.44Å; R94-T97 CarbonylContact O-C 3.27Å; R94-T97 WeakPolarHBondContact O-CA 3.45Å; R94-T97 VanDerWaalsContact O-CB 3.27Å; R94-T97 WeakPolarHBondContact O-CB 3.23Å; R94-T97 PolarHBondContact O-N 3.3Å; R94-D98 PolarHBondContact O-N 3.08Å
95L97.7Very high95.7Very high16 Ų1672.5 Ų72.58%0.08436%0.36CS..Hα-helixtrans-58.8-39.1176.9-70.7164.6000112.2E91 A92 T97 D98 G99 F114 K117 A118 L121E91-L95 HydrophobicContact CG-CD1 4.23Å; E91-L95 WeakPolarHBondContact O-CG 3.36Å; E91-L95 PolarHBondContact O-N 3.01Å; A92-L95 PolarHBondContact O-N 3.48Å; L95-T97 VanDerWaalsContact C-N 3.28Å; L95-T97 PolarHBondContact O-N 2.92Å; L95-D98 PolarHBondContact O-N 3.28Å; L95-G99 PolarHBondContact O-N 3.43Å; L95-F114 HydrophobicContact CD2-CD1 3.81Å; L95-F114 HydrophobicContact CD2-CE1 4.32Å; L95-K117 HydrophobicContact CD1-CB 3.75Å; L95-K117 HydrophobicContact CD2-CB 4.15Å; L95-K117 HydrophobicContact CD2-CD 4.26Å; L95-K117 HydrophobicContact CG-CB 4.47Å; L95-A118 HydrophobicContact CB-CB 3.91Å; L95-L121 HydrophobicContact CD1-CD1 3.59Å
96K98.1Very high96Very high39 Ų3976.2 Ų76.217%0.1737%0.372CS..Hα-helixtrans-60.8-39.3171.4176.7-135.964.5-167.50111.4A92 E93 R94 G99 N100 Y115 V127 Y128A92-K96 WeakPolarHBondContact O-CB 3.42Å; A92-K96 PolarHBondContact O-N 3.5Å; E93-K96 WeakPolarHBondContact OE2-CE 3.39Å; E93-K96 IonicContact OE2-NZ 2.74Å; E93-K96 PolarHBondContact OE2-NZ 3.06Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 3.44Å; K96-G99 PolarHBondContact O-N 3.46Å; K96-N100 PolarHBondContact O-N 3.44Å; K96-N100 PolarHBondContact O-ND2 3.27Å; K96-Y115 HydrophobicContact CG-CE1 4.27Å; K96-Y115 WeakPolarHBondContact O-CE1 3.48Å; K96-V127 HydrophobicContact CD-CG1 4.37Å; K96-Y128 HydrophobicContact CB-CD1 3.9Å; K96-Y128 HydrophobicContact CB-CE1 3.68Å; K96-Y128 HydrophobicContact CD-CD1 4.22Å; K96-Y128 HydrophobicContact CD-CE1 3.92Å; K96-Y128 HydrophobicContact CG-CD1 3.81Å; K96-Y128 HydrophobicContact CG-CE1 3.84Å
97T98.2Very high96.4Very high61 Ų6173 Ų7337%0.37436%0.36SS..Hα-helixtrans-66.7-44.9177.2-55.30000111.2E93 R94 L95 G99 N100 D101E93-T97 PolarHBondContact O-N 3.38Å; E93-T97 VanDerWaalsContact O-N 3.07Å; E93-T97 PolarHBondContact O-OG1 2.99Å; R94-T97 CarbonylContact O-C 3.27Å; R94-T97 WeakPolarHBondContact O-CA 3.45Å; R94-T97 VanDerWaalsContact O-CB 3.27Å; R94-T97 WeakPolarHBondContact O-CB 3.23Å; R94-T97 PolarHBondContact O-N 3.3Å; L95-T97 VanDerWaalsContact C-N 3.28Å; L95-T97 PolarHBondContact O-N 2.92Å; T97-G99 VanDerWaalsContact C-N 3.31Å; T97-G99 PolarHBondContact O-N 2.93Å; T97-N100 WeakPolarHBondContact O-CA 3.13Å; T97-N100 WeakPolarHBondContact O-CB 3.4Å; T97-N100 PolarHBondContact O-N 3.48Å; T97-D101 PolarHBondContact O-N 3.45Å
98D97.9Very high96.8Very high64 Ų6467 Ų6734%0.34233%0.331SS..Hα-helixtrans-59.6-42.9174.3-65.1-19.9000111.4R94 L95 N100 D101 Q102 F114R94-D98 PolarHBondContact O-N 3.08Å; L95-D98 PolarHBondContact O-N 3.28Å; D98-N100 VanDerWaalsContact C-N 3.33Å; D98-N100 PolarHBondContact O-N 3.32Å; D98-D101 PolarHBondContact O-N 3.41Å; D98-D101 VanDerWaalsContact O-N 3.14Å; D98-Q102 WeakPolarHBondContact O-CG 3.25Å; D98-Q102 PolarHBondContact O-N 3.28Å; D98-F114 HydrophobicContact CB-CD1 3.7Å; D98-F114 HydrophobicContact CB-CD2 4.26Å; D98-F114 HydrophobicContact CB-CE1 3.8Å; D98-F114 HydrophobicContact CB-CE2 4.36Å; D98-F114 HydrophobicContact CB-CG 3.96Å; D98-F114 HydrophobicContact CB-CZ 4.15Å
99G98.1Very high97Very high0 Ų066.7 Ų66.70%034%0.339CS..Hα-helixtrans-60-40.9173.300000112.7L95 K96 T97 D101 Q102 M103 A111 Y115L95-G99 PolarHBondContact O-N 3.43Å; K96-G99 PolarHBondContact O-N 3.46Å; T97-G99 VanDerWaalsContact C-N 3.31Å; T97-G99 PolarHBondContact O-N 2.93Å; G99-D101 VanDerWaalsContact C-N 3.31Å; G99-D101 PolarHBondContact O-N 3.4Å; G99-Q102 PolarHBondContact O-N 2.78Å; G99-M103 WeakPolarHBondContact O-CG 3.24Å; G99-M103 PolarHBondContact O-N 3.03Å; G99-A111 WeakPolarHBondContact O-CB 3.37Å; G99-Y115 PolarHBondContact O-OH 3.09Å
100N98.3Very high97.1Very high49 Ų4964.5 Ų64.526%0.26233%0.332SS..Hα-helixtrans-65.2-36.1174.9-68.7-32.2000111.7K96 T97 D98 M103 K104 Y115 N131K96-N100 PolarHBondContact O-N 3.44Å; K96-N100 PolarHBondContact O-ND2 3.27Å; T97-N100 WeakPolarHBondContact O-CA 3.13Å; T97-N100 WeakPolarHBondContact O-CB 3.4Å; T97-N100 PolarHBondContact O-N 3.48Å; D98-N100 VanDerWaalsContact C-N 3.33Å; D98-N100 PolarHBondContact O-N 3.32Å; N100-M103 WeakPolarHBondContact O-CB 3.32Å; N100-M103 PolarHBondContact O-N 3.27Å; N100-K104 WeakPolarHBondContact O-CG 3.38Å; N100-K104 PolarHBondContact O-N 3.4Å; N100-Y115 WeakPolarHBondContact CA-OH 3.45Å; N100-Y115 PolarHBondContact N-OH 2.8Å; N100-Y115 PolarHBondContact OD1-OH 3.32Å; N100-N131 PolarHBondContact OD1-ND2 3.03Å
101D98.4Very high97.3Very high65 Ų6561.7 Ų61.735%0.34831%0.309SS..Hα-helixtrans-69.7-38.4177-71.4-22.2000111.4T97 D98 G99 M103 K104 V105T97-D101 PolarHBondContact O-N 3.45Å; D98-D101 PolarHBondContact O-N 3.41Å; D98-D101 VanDerWaalsContact O-N 3.14Å; G99-D101 VanDerWaalsContact C-N 3.31Å; G99-D101 PolarHBondContact O-N 3.4Å; D101-M103 VanDerWaalsContact C-N 3.31Å; D101-M103 PolarHBondContact O-N 2.91Å; D101-K104 WeakPolarHBondContact O-CB 3.35Å; D101-K104 PolarHBondContact O-N 3.41Å; D101-K104 VanDerWaalsContact O-N 3.13Å; D101-K104 IonicContact OD1-NZ 3.55Å; D101-K104 PolarHBondContact OD1-NZ 3.46Å; D101-V105 PolarHBondContact O-N 3.5Å
102Q97.8Very high97.4Very high50 Ų5058.5 Ų58.523%0.23430%0.295CS..Hα-helixtrans-61.5-37.4169.9-65.5-51.3-49.600112.4D98 G99 K104 V105 E106 N107 A110 A111 F114D98-Q102 WeakPolarHBondContact O-CG 3.25Å; D98-Q102 PolarHBondContact O-N 3.28Å; G99-Q102 PolarHBondContact O-N 2.78Å; Q102-K104 VanDerWaalsContact C-N 3.3Å; Q102-K104 PolarHBondContact O-N 2.99Å; Q102-V105 WeakPolarHBondContact O-CG2 3.48Å; Q102-V105 PolarHBondContact O-N 3.37Å; Q102-E106 PolarHBondContact O-N 2.78Å; Q102-N107 HydrophobicContact CB-CB 4.45Å; Q102-N107 PolarHBondContact O-N 3.32Å; Q102-N107 PolarHBondContact OE1-ND2 3.21Å; Q102-A110 HydrophobicContact CB-CB 4.28Å; Q102-A110 HydrophobicContact CG-CB 3.83Å; Q102-A111 HydrophobicContact CB-CB 3.88Å; Q102-F114 HydrophobicContact CG-CD2 3.67Å; Q102-F114 HydrophobicContact CG-CE2 3.66Å
103M98.2Very high97.4Very high43 Ų4364.1 Ų64.121%0.21232%0.321CS..Hα-helixtrans-61.5-36173.5-69.3-68-65.300112.6G99 N100 D101 E106 F108 A111 Y115 A134 A135 K138G99-M103 WeakPolarHBondContact O-CG 3.24Å; G99-M103 PolarHBondContact O-N 3.03Å; N100-M103 WeakPolarHBondContact O-CB 3.32Å; N100-M103 PolarHBondContact O-N 3.27Å; D101-M103 VanDerWaalsContact C-N 3.31Å; D101-M103 PolarHBondContact O-N 2.91Å; M103-E106 PolarHBondContact O-N 3.15Å; M103-F108 HydrophobicContact CE-CD1 3.99Å; M103-F108 HydrophobicContact CE-CE1 4.14Å; M103-F108 HydrophobicContact SD-CD1 3.71Å; M103-F108 HydrophobicContact SD-CE1 4.33Å; M103-A111 HydrophobicContact CG-CB 3.8Å; M103-A111 HydrophobicContact SD-CB 3.68Å; M103-Y115 HydrophobicContact CG-CE2 4.15Å; M103-Y115 WeakPolarHBondContact CG-OH 3.3Å; M103-Y115 HydrophobicContact SD-CE2 4.44Å; M103-A134 HydrophobicContact CE-CB 4.3Å; M103-A135 HydrophobicContact CE-CB 4.48Å; M103-A135 HydrophobicContact SD-CB 3.6Å; M103-K138 HydrophobicContact CE-CG 4.33Å
104K98.2Very high97.5Very high155 Ų15562.9 Ų62.967%0.67432%0.315SS*.Hα-helixtrans-69.6-33.9179.8-67.7169.8-168.8159.80112.6N100 D101 Q102N100-K104 WeakPolarHBondContact O-CG 3.38Å; N100-K104 PolarHBondContact O-N 3.4Å; D101-K104 WeakPolarHBondContact O-CB 3.35Å; D101-K104 PolarHBondContact O-N 3.41Å; D101-K104 VanDerWaalsContact O-N 3.13Å; D101-K104 IonicContact OD1-NZ 3.55Å; D101-K104 PolarHBondContact OD1-NZ 3.46Å; Q102-K104 VanDerWaalsContact C-N 3.3Å; Q102-K104 PolarHBondContact O-N 2.99Å
105V97.8Very high97.5Very high102 Ų10254.7 Ų54.762%0.61828%0.284SS*.THydrogen-bonded Turntrans-89.513.2174.9-58.20000112.5D101 Q102 N107D101-V105 PolarHBondContact O-N 3.5Å; Q102-V105 WeakPolarHBondContact O-CG2 3.48Å; Q102-V105 PolarHBondContact O-N 3.37Å; V105-N107 HydrophobicContact CG2-CB 4.04Å; V105-N107 PolarHBondContact O-N 2.84Å; V105-N107 VanDerWaalsContact O-N 3.08Å
106E97.3Very high97.5Very high147 Ų14755.7 Ų55.769%0.68729%0.293SS*.THydrogen-bonded Turntrans58.618.6179-54.3-169.6149.500114.8Q102 M103 F108Q102-E106 PolarHBondContact O-N 2.78Å; M103-E106 PolarHBondContact O-N 3.15Å; E106-F108 VanDerWaalsContact C-N 3.29Å; E106-F108 HydrophobicContact CB-CE1 4.25Å; E106-F108 HydrophobicContact CB-CE2 4.04Å; E106-F108 HydrophobicContact CB-CZ 3.68Å; E106-F108 HydrophobicContact CG-CZ 4Å; E106-F108 WeakPolarHBondContact O-CD2 3.43Å; E106-F108 WeakPolarHBondContact O-CE2 3.29Å; E106-F108 PolarHBondContact O-N 2.82Å
107N97.4Very high97.4Very high70 Ų7059 Ų5937%0.37431%0.307SS..  trans-85.272.7173.2-170.2-6.3000110.4Q102 V105 A109 A110 A111Q102-N107 HydrophobicContact CB-CB 4.45Å; Q102-N107 PolarHBondContact O-N 3.32Å; Q102-N107 PolarHBondContact OE1-ND2 3.21Å; V105-N107 HydrophobicContact CG2-CB 4.04Å; V105-N107 PolarHBondContact O-N 2.84Å; V105-N107 VanDerWaalsContact O-N 3.08Å; N107-A109 VanDerWaalsContact C-N 3.31Å; N107-A109 PolarHBondContact O-N 2.76Å; N107-A110 HydrophobicContact CB-CB 4.39Å; N107-A110 VanDerWaalsContact CG-CB 3.49Å; N107-A110 WeakPolarHBondContact ND2-CB 3.38Å; N107-A110 PolarHBondContact O-N 3.06Å; N107-A110 WeakPolarHBondContact OD1-CB 3.44Å; N107-A110 PolarHBondContact OD1-N 3.36Å; N107-A111 PolarHBondContact O-N 3.43Å
108F97.6Very high97.2Very high36 Ų3656.1 Ų56.116%0.15829%0.289CS..Hα-helixtrans-66.3-30.6-173-51-56000113.4M103 E106 A111 V112 K138 L139M103-F108 HydrophobicContact CE-CD1 3.99Å; M103-F108 HydrophobicContact CE-CE1 4.14Å; M103-F108 HydrophobicContact SD-CD1 3.71Å; M103-F108 HydrophobicContact SD-CE1 4.33Å; E106-F108 VanDerWaalsContact C-N 3.29Å; E106-F108 HydrophobicContact CB-CE1 4.25Å; E106-F108 HydrophobicContact CB-CE2 4.04Å; E106-F108 HydrophobicContact CB-CZ 3.68Å; E106-F108 HydrophobicContact CG-CZ 4Å; E106-F108 WeakPolarHBondContact O-CD2 3.43Å; E106-F108 WeakPolarHBondContact O-CE2 3.29Å; E106-F108 PolarHBondContact O-N 2.82Å; F108-A111 WeakPolarHBondContact O-CB 3.46Å; F108-A111 PolarHBondContact O-N 3.23Å; F108-V112 WeakPolarHBondContact O-CG2 3.49Å; F108-V112 PolarHBondContact O-N 3.28Å; F108-K138 HydrophobicContact CB-CB 4.31Å; F108-K138 HydrophobicContact CD1-CB 3.68Å; F108-K138 HydrophobicContact CD1-CG 4.01Å; F108-K138 HydrophobicContact CD2-CB 3.65Å; F108-K138 HydrophobicContact CE1-CB 3.83Å; F108-K138 HydrophobicContact CE1-CD 4.26Å; F108-K138 HydrophobicContact CE1-CG 3.78Å; F108-K138 HydrophobicContact CE2-CB 3.8Å; F108-K138 HydrophobicContact CE2-CD 4.49Å; F108-K138 HydrophobicContact CE2-CG 4.39Å; F108-K138 HydrophobicContact CG-CB 3.59Å; F108-K138 HydrophobicContact CG-CG 4.41Å; F108-K138 HydrophobicContact CZ-CB 3.89Å; F108-K138 HydrophobicContact CZ-CD 4.04Å; F108-K138 HydrophobicContact CZ-CG 3.99Å; F108-L139 HydrophobicContact CB-CD1 4.2Å; F108-L139 HydrophobicContact CB-CD2 3.81Å; F108-L139 HydrophobicContact CB-CG 3.7Å
109A96.3Very high97.1Very high53 Ų5353.7 Ų53.744%0.43828%0.276SS..Hα-helixtrans-65.5-48.1176.600000111.4N107 A111 V112 E113N107-A109 VanDerWaalsContact C-N 3.31Å; N107-A109 PolarHBondContact O-N 2.76Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.46Å; A109-V112 WeakPolarHBondContact O-CB 3.21Å; A109-V112 PolarHBondContact O-N 3Å; A109-E113 PolarHBondContact O-N 2.79Å
110A93.9Very high96.8Very high16 Ų1657.6 Ų57.613%0.13231%0.308CS..Hα-helixtrans-63.5-37.5174.800000111.7Q102 N107 V112 E113 F114Q102-A110 HydrophobicContact CB-CB 4.28Å; Q102-A110 HydrophobicContact CG-CB 3.83Å; N107-A110 HydrophobicContact CB-CB 4.39Å; N107-A110 VanDerWaalsContact CG-CB 3.49Å; N107-A110 WeakPolarHBondContact ND2-CB 3.38Å; N107-A110 PolarHBondContact O-N 3.06Å; N107-A110 WeakPolarHBondContact OD1-CB 3.44Å; N107-A110 PolarHBondContact OD1-N 3.36Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 3.04Å; A110-E113 WeakPolarHBondContact O-CB 3.36Å; A110-E113 PolarHBondContact O-N 3.47Å; A110-E113 VanDerWaalsContact O-N 3.16Å; A110-F114 WeakPolarHBondContact O-CD2 3.42Å; A110-F114 PolarHBondContact O-N 3.32Å
111A97.7Very high96.4Very high0 Ų057.7 Ų57.70%031%0.308CS..Hα-helixtrans-58-43.8174.500000112G99 Q102 M103 N107 F108 A109 E113 F114 Y115 A135G99-A111 WeakPolarHBondContact O-CB 3.37Å; Q102-A111 HydrophobicContact CB-CB 3.88Å; M103-A111 HydrophobicContact CG-CB 3.8Å; M103-A111 HydrophobicContact SD-CB 3.68Å; N107-A111 PolarHBondContact O-N 3.43Å; F108-A111 WeakPolarHBondContact O-CB 3.46Å; F108-A111 PolarHBondContact O-N 3.23Å; A109-A111 VanDerWaalsContact C-N 3.3Å; A109-A111 PolarHBondContact O-N 3.46Å; A111-E113 VanDerWaalsContact C-N 3.33Å; A111-E113 PolarHBondContact O-N 3.01Å; A111-F114 PolarHBondContact O-N 2.98Å; A111-Y115 HydrophobicContact CB-CD2 4.44Å; A111-Y115 HydrophobicContact CB-CE2 3.94Å; A111-Y115 WeakPolarHBondContact O-CD2 3.49Å; A111-Y115 PolarHBondContact O-N 3.38Å; A111-A135 HydrophobicContact CB-CB 4.22Å
112V97.6Very high96.1Very high17 Ų1755.5 Ų55.510%0.10330%0.297CS..Hα-helixtrans-58.5-43.7174.8168.40000111.5F108 A109 A110 S116 R132 A135 Y136 L139F108-V112 WeakPolarHBondContact O-CG2 3.49Å; F108-V112 PolarHBondContact O-N 3.28Å; A109-V112 WeakPolarHBondContact O-CB 3.21Å; A109-V112 PolarHBondContact O-N 3Å; A110-V112 VanDerWaalsContact C-N 3.32Å; A110-V112 PolarHBondContact O-N 3.04Å; V112-S116 VanDerWaalsContact O-CB 3.3Å; V112-S116 WeakPolarHBondContact O-CB 3.4Å; V112-S116 PolarHBondContact O-N 3.49Å; V112-S116 PolarHBondContact O-OG 3.36Å; V112-R132 HydrophobicContact CB-CG 4.46Å; V112-R132 HydrophobicContact CG1-CG 4.19Å; V112-R132 HydrophobicContact CG2-CG 4.27Å; V112-A135 HydrophobicContact CG2-CB 3.59Å; V112-Y136 HydrophobicContact CB-CE1 4.46Å; V112-Y136 HydrophobicContact CG1-CE1 3.68Å; V112-Y136 HydrophobicContact CG2-CD1 3.88Å; V112-Y136 HydrophobicContact CG2-CE1 3.85Å; V112-Y136 HydrophobicContact CG2-CG 4.47Å; V112-L139 HydrophobicContact CG2-CD1 3.96Å
113E96Very high95.8Very high118 Ų11855.9 Ų55.955%0.55130%0.304SS*.Hα-helixtrans-61.6-48.1178.2-67.3-174.9-18000111.8A109 A110 A111 S116 K117A109-E113 PolarHBondContact O-N 2.79Å; A110-E113 WeakPolarHBondContact O-CB 3.36Å; A110-E113 PolarHBondContact O-N 3.47Å; A110-E113 VanDerWaalsContact O-N 3.16Å; A111-E113 VanDerWaalsContact C-N 3.33Å; A111-E113 PolarHBondContact O-N 3.01Å; E113-S116 WeakPolarHBondContact O-CB 3.48Å; E113-S116 PolarHBondContact O-N 3.05Å; E113-K117 WeakPolarHBondContact O-CG 3.42Å; E113-K117 PolarHBondContact O-N 3Å
114F97.4Very high95.6Very high45 Ų4559.2 Ų59.220%0.19732%0.319CS..Hα-helixtrans-62.1-45.6178.8-79.3-64.6000112.5L95 D98 Q102 A110 A111 S116 K117 A118L95-F114 HydrophobicContact CD2-CD1 3.81Å; L95-F114 HydrophobicContact CD2-CE1 4.32Å; D98-F114 HydrophobicContact CB-CD1 3.7Å; D98-F114 HydrophobicContact CB-CD2 4.26Å; D98-F114 HydrophobicContact CB-CE1 3.8Å; D98-F114 HydrophobicContact CB-CE2 4.36Å; D98-F114 HydrophobicContact CB-CG 3.96Å; D98-F114 HydrophobicContact CB-CZ 4.15Å; Q102-F114 HydrophobicContact CG-CD2 3.67Å; Q102-F114 HydrophobicContact CG-CE2 3.66Å; A110-F114 WeakPolarHBondContact O-CD2 3.42Å; A110-F114 PolarHBondContact O-N 3.32Å; A111-F114 PolarHBondContact O-N 2.98Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 3.18Å; F114-K117 PolarHBondContact O-N 3.39Å; F114-A118 PolarHBondContact O-N 3.22Å
115Y98.4Very high95.4Very high3 Ų353.1 Ų53.11%0.01229%0.294CS..Hα-helixtrans-64.6-34.5175.1-61.4-48.1000112.4K96 G99 N100 M103 A111 A118 I119 N131 R132 A135K96-Y115 HydrophobicContact CG-CE1 4.27Å; K96-Y115 WeakPolarHBondContact O-CE1 3.48Å; G99-Y115 PolarHBondContact O-OH 3.09Å; N100-Y115 WeakPolarHBondContact CA-OH 3.45Å; N100-Y115 PolarHBondContact N-OH 2.8Å; N100-Y115 PolarHBondContact OD1-OH 3.32Å; M103-Y115 HydrophobicContact CG-CE2 4.15Å; M103-Y115 WeakPolarHBondContact CG-OH 3.3Å; M103-Y115 HydrophobicContact SD-CE2 4.44Å; A111-Y115 HydrophobicContact CB-CD2 4.44Å; A111-Y115 HydrophobicContact CB-CE2 3.94Å; A111-Y115 WeakPolarHBondContact O-CD2 3.49Å; A111-Y115 PolarHBondContact O-N 3.38Å; Y115-A118 PolarHBondContact O-N 2.91Å; Y115-I119 WeakPolarHBondContact O-CB 3.46Å; Y115-I119 WeakPolarHBondContact O-CD1 3.37Å; Y115-I119 VanDerWaalsContact O-CG1 3.23Å; Y115-I119 WeakPolarHBondContact O-CG1 3.4Å; Y115-I119 PolarHBondContact O-N 3.08Å; Y115-N131 HydrophobicContact CD1-CB 3.94Å; Y115-N131 HydrophobicContact CD2-CB 4.23Å; Y115-N131 HydrophobicContact CE1-CB 3.6Å; Y115-N131 HydrophobicContact CE2-CB 3.91Å; Y115-N131 HydrophobicContact CG-CB 4.26Å; Y115-R132 HydrophobicContact CD2-CB 4.04Å; Y115-R132 HydrophobicContact CD2-CG 4.5Å; Y115-R132 HydrophobicContact CG-CB 4.23Å; Y115-A135 HydrophobicContact CE2-CB 4.38Å
116S97.1Very high95.3Very high37 Ų3748.6 Ų48.626%0.25927%0.267SS..Hα-helixtrans-65.5-40.3176.7-59.80000111.7V112 E113 F114 I119 A120 R132V112-S116 VanDerWaalsContact O-CB 3.3Å; V112-S116 WeakPolarHBondContact O-CB 3.4Å; V112-S116 PolarHBondContact O-N 3.49Å; V112-S116 PolarHBondContact O-OG 3.36Å; E113-S116 WeakPolarHBondContact O-CB 3.48Å; E113-S116 PolarHBondContact O-N 3.05Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 3.18Å; S116-I119 PolarHBondContact O-N 2.89Å; S116-A120 PolarHBondContact O-N 3.07Å; S116-R132 VanDerWaalsContact OG-CD 3.27Å; S116-R132 WeakPolarHBondContact OG-CD 3.42Å; S116-R132 PolarHBondContact OG-NH1 3.43Å
117K95.1Very high95.4Very high108 Ų10844 Ų4447%0.4725%0.248SC..Hα-helixtrans-63.7-42.9172-66.6172.5-177.7173.20111.4L95 E113 F114 I119 A120 L121L95-K117 HydrophobicContact CD1-CB 3.75Å; L95-K117 HydrophobicContact CD2-CB 4.15Å; L95-K117 HydrophobicContact CD2-CD 4.26Å; L95-K117 HydrophobicContact CG-CB 4.47Å; E113-K117 WeakPolarHBondContact O-CG 3.42Å; E113-K117 PolarHBondContact O-N 3Å; F114-K117 PolarHBondContact O-N 3.39Å; K117-I119 VanDerWaalsContact C-N 3.33Å; K117-I119 PolarHBondContact O-N 3.06Å; K117-A120 WeakPolarHBondContact O-CB 3.41Å; K117-A120 PolarHBondContact O-N 3.36Å; K117-L121 PolarHBondContact O-N 3.13Å
118A94.7Very high95.4Very high0 Ų040.6 Ų40.60%023%0.23CC..Hα-helixtrans-60.6-41175.600000112.4A92 L95 F114 Y115 L121 N122 Y128A92-A118 HydrophobicContact CB-CB 4.37Å; A92-A118 WeakPolarHBondContact O-CB 3.29Å; L95-A118 HydrophobicContact CB-CB 3.91Å; F114-A118 PolarHBondContact O-N 3.22Å; Y115-A118 PolarHBondContact O-N 2.91Å; A118-L121 PolarHBondContact O-N 3.12Å; A118-N122 PolarHBondContact O-N 3.16Å; A118-Y128 HydrophobicContact CB-CD1 4.44Å; A118-Y128 HydrophobicContact CB-CD2 3.85Å; A118-Y128 HydrophobicContact CB-CE2 3.97Å; A118-Y128 HydrophobicContact CB-CG 4.09Å; A118-Y128 WeakPolarHBondContact O-CE2 3.35Å
119I95.3Very high95.4Very high14 Ų1439.8 Ų39.87%0.07223%0.226CC..Hα-helixtrans-63.6-41.3175.4-72.3162.5000111.4Y115 S116 K117 L121 N122 P123 Y128 Y129 R132Y115-I119 WeakPolarHBondContact O-CB 3.46Å; Y115-I119 WeakPolarHBondContact O-CD1 3.37Å; Y115-I119 VanDerWaalsContact O-CG1 3.23Å; Y115-I119 WeakPolarHBondContact O-CG1 3.4Å; Y115-I119 PolarHBondContact O-N 3.08Å; S116-I119 PolarHBondContact O-N 2.89Å; K117-I119 VanDerWaalsContact C-N 3.33Å; K117-I119 PolarHBondContact O-N 3.06Å; I119-L121 VanDerWaalsContact C-N 3.26Å; I119-L121 PolarHBondContact O-N 3.14Å; I119-N122 CarbonylContact O-C 3.44Å; I119-N122 VanDerWaalsContact O-C 3.27Å; I119-N122 PolarHBondContact O-N 3.35Å; I119-P123 WeakPolarHBondContact O-CA 3.49Å; I119-P123 WeakPolarHBondContact O-CB 3.43Å; I119-Y128 HydrophobicContact CG1-CD2 4.33Å; I119-Y128 HydrophobicContact CG1-CG 4.46Å; I119-Y129 HydrophobicContact CD1-CD1 3.76Å; I119-Y129 HydrophobicContact CD1-CD2 4.41Å; I119-Y129 HydrophobicContact CD1-CE1 3.93Å; I119-Y129 HydrophobicContact CD1-CG 4.03Å; I119-Y129 HydrophobicContact CG1-CD1 4.37Å; I119-Y129 HydrophobicContact CG1-CD2 4.29Å; I119-Y129 HydrophobicContact CG1-CE1 4.25Å; I119-Y129 HydrophobicContact CG1-CE2 4.15Å; I119-Y129 HydrophobicContact CG1-CG 4.4Å; I119-Y129 HydrophobicContact CG2-CE1 3.74Å; I119-Y129 HydrophobicContact CG2-CE2 4.13Å; I119-Y129 VanDerWaalsContact CG2-CZ 3.47Å; I119-Y129 WeakPolarHBondContact CG2-OH 3.42Å; I119-R132 VanDerWaalsContact CD1-CZ 3.42Å
120A93.3Very high95.5Very high82 Ų8237.3 Ų37.368%0.67821%0.206SC*.Hα-helixtrans-61.3-36.6178.200000112.1S116 K117S116-A120 PolarHBondContact O-N 3.07Å; K117-A120 WeakPolarHBondContact O-CB 3.41Å; K117-A120 PolarHBondContact O-N 3.36Å
121L89.7Confident95.8Very high50 Ų5037.4 Ų37.426%0.26220%0.204SC..Hα-helixtrans-79.8-36.5178.7-65.1-177.7000113.6E91 A92 L95 K117 A118 I119E91-L121 HydrophobicContact CB-CD1 3.85Å; E91-L121 HydrophobicContact CG-CD1 3.58Å; A92-L121 HydrophobicContact CB-CB 3.89Å; A92-L121 HydrophobicContact CB-CD1 4.42Å; L95-L121 HydrophobicContact CD1-CD1 3.59Å; K117-L121 PolarHBondContact O-N 3.13Å; A118-L121 PolarHBondContact O-N 3.12Å; I119-L121 VanDerWaalsContact C-N 3.26Å; I119-L121 PolarHBondContact O-N 3.14Å
122N91.1Very high95.8Very high19 Ų1939.1 Ų39.110%0.10221%0.211CC..  trans-140.187.6176.6177.19.3000110.6P84 A92 A118 I119 Q124 Y128P84-N122 HydrophobicContact CB-CB 4.36Å; P84-N122 HydrophobicContact CG-CB 4.07Å; A92-N122 HydrophobicContact CB-CB 4.07Å; A118-N122 PolarHBondContact O-N 3.16Å; I119-N122 CarbonylContact O-C 3.44Å; I119-N122 VanDerWaalsContact O-C 3.27Å; I119-N122 PolarHBondContact O-N 3.35Å; N122-Q124 PolarHBondContact O-N 3.19Å; N122-Q124 PolarHBondContact OD1-N 3.07Å; N122-Y128 HydrophobicContact CB-CE2 4.04Å
123P91.7Very high95.8Very high58 Ų5838.3 Ų38.338%0.37721%0.206SC..THydrogen-bonded Turntrans-77.5-3.9-172.430.1-36.6000114.1I119 Y129 I155I119-P123 WeakPolarHBondContact O-CA 3.49Å; I119-P123 WeakPolarHBondContact O-CB 3.43Å; P123-Y129 VanDerWaalsContact O-CE2 3.25Å; P123-Y129 WeakPolarHBondContact O-CE2 3.17Å; P123-Y129 PolarHBondContact O-OH 3.43Å; P123-Y129 VanDerWaalsContact O-OH 3.07Å; P123-I155 WeakPolarHBondContact O-CD1 3.45Å
124Q93.1Very high96Very high114 Ų11433.5 Ų33.553%0.53319%0.186SC..THydrogen-bonded Turntrans-103.317.6-178.8-161.557.831.400112.2N122 I155N122-Q124 PolarHBondContact O-N 3.19Å; N122-Q124 PolarHBondContact OD1-N 3.07Å; Q124-I155 HydrophobicContact CG-CG2 4.47Å; Q124-I155 WeakPolarHBondContact O-CG2 3.25Å
125N94.3Very high96Very high27 Ų2731.3 Ų31.314%0.14418%0.176CC..  trans-102.9109.9174.8-169.6-26.5000111.2E93 V127 Y128 Y129E93-N125 PolarHBondContact OE1-ND2 2.82Å; N125-V127 PolarHBondContact O-N 3.38Å; N125-V127 VanDerWaalsContact OD1-CB 3.25Å; N125-V127 WeakPolarHBondContact OD1-CB 3.3Å; N125-V127 WeakPolarHBondContact OD1-CG2 3.23Å; N125-V127 PolarHBondContact OD1-N 2.98Å; N125-Y128 HydrophobicContact CB-CD1 4.42Å; N125-Y128 HydrophobicContact CB-CD2 3.71Å; N125-Y128 HydrophobicContact CB-CE1 4.35Å; N125-Y128 HydrophobicContact CB-CE2 3.67Å; N125-Y128 HydrophobicContact CB-CG 4.12Å; N125-Y128 VanDerWaalsContact ND2-CE1 3.33Å; N125-Y128 WeakPolarHBondContact ND2-CE1 3.47Å; N125-Y128 VanDerWaalsContact ND2-CZ 3.28Å; N125-Y128 PolarHBondContact ND2-OH 2.95Å; N125-Y128 PolarHBondContact O-N 3.38Å; N125-Y129 WeakPolarHBondContact O-CD2 3.3Å
126A96.9Very high96Very high6 Ų633.4 Ų33.45%0.0518%0.184CC..Hα-helixtrans-61.9-27.2-179.600000113.3Y128 C130 A152 I155 D156 Y159A126-Y128 VanDerWaalsContact C-N 3.31Å; A126-Y128 PolarHBondContact O-N 3.04Å; A126-C130 VanDerWaalsContact O-CB 3.27Å; A126-C130 WeakPolarHBondContact O-CB 3.48Å; A126-C130 PolarHBondContact O-N 3.27Å; A126-A152 HydrophobicContact CB-CB 4.24Å; A126-A152 WeakPolarHBondContact CB-O 3.49Å; A126-A152 WeakPolarHBondContact O-CB 3.27Å; A126-I155 HydrophobicContact CB-CB 4.03Å; A126-I155 HydrophobicContact CB-CG2 3.8Å; A126-D156 HydrophobicContact CB-CB 3.74Å; A126-Y159 HydrophobicContact CB-CD1 4.01Å
127V98.1Very high96.1Very high50 Ų5032.4 Ų32.430%0.30318%0.177SC..Hα-helixtrans-63.4-38.9-178.5-179.80000111.1K96 N125 C130 N131 Y159K96-V127 HydrophobicContact CD-CG1 4.37Å; N125-V127 PolarHBondContact O-N 3.38Å; N125-V127 VanDerWaalsContact OD1-CB 3.25Å; N125-V127 WeakPolarHBondContact OD1-CB 3.3Å; N125-V127 WeakPolarHBondContact OD1-CG2 3.23Å; N125-V127 PolarHBondContact OD1-N 2.98Å; V127-C130 PolarHBondContact O-N 3.33Å; V127-N131 VanDerWaalsContact O-CB 3.29Å; V127-N131 WeakPolarHBondContact O-CB 3.45Å; V127-N131 VanDerWaalsContact O-CG 3.26Å; V127-N131 PolarHBondContact O-N 3.12Å; V127-Y159 HydrophobicContact CG2-CE1 4.37Å
128Y98.2Very high96.2Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-68.9-45.8-175.9-53.6-20.6000112A92 E93 K96 A118 I119 N122 N125 A126 N131 R132A92-Y128 HydrophobicContact CB-CE2 3.75Å; A92-Y128 VanDerWaalsContact CB-OH 3.29Å; A92-Y128 WeakPolarHBondContact CB-OH 3.4Å; E93-Y128 PolarHBondContact N-OH 3.32Å; E93-Y128 PolarHBondContact OE1-OH 3.12Å; K96-Y128 HydrophobicContact CB-CD1 3.9Å; K96-Y128 HydrophobicContact CB-CE1 3.68Å; K96-Y128 HydrophobicContact CD-CD1 4.22Å; K96-Y128 HydrophobicContact CD-CE1 3.92Å; K96-Y128 HydrophobicContact CG-CD1 3.81Å; K96-Y128 HydrophobicContact CG-CE1 3.84Å; A118-Y128 HydrophobicContact CB-CD1 4.44Å; A118-Y128 HydrophobicContact CB-CD2 3.85Å; A118-Y128 HydrophobicContact CB-CE2 3.97Å; A118-Y128 HydrophobicContact CB-CG 4.09Å; A118-Y128 WeakPolarHBondContact O-CE2 3.35Å; I119-Y128 HydrophobicContact CG1-CD2 4.33Å; I119-Y128 HydrophobicContact CG1-CG 4.46Å; N122-Y128 HydrophobicContact CB-CE2 4.04Å; N125-Y128 HydrophobicContact CB-CD1 4.42Å; N125-Y128 HydrophobicContact CB-CD2 3.71Å; N125-Y128 HydrophobicContact CB-CE1 4.35Å; N125-Y128 HydrophobicContact CB-CE2 3.67Å; N125-Y128 HydrophobicContact CB-CG 4.12Å; N125-Y128 VanDerWaalsContact ND2-CE1 3.33Å; N125-Y128 WeakPolarHBondContact ND2-CE1 3.47Å; N125-Y128 VanDerWaalsContact ND2-CZ 3.28Å; N125-Y128 PolarHBondContact ND2-OH 2.95Å; N125-Y128 PolarHBondContact O-N 3.38Å; A126-Y128 VanDerWaalsContact C-N 3.31Å; A126-Y128 PolarHBondContact O-N 3.04Å; Y128-N131 PolarHBondContact O-N 2.74Å; Y128-R132 WeakPolarHBondContact O-CB 3.45Å; Y128-R132 PolarHBondContact O-N 3.47Å
129Y98.4Very high96.3Very high19 Ų1938 Ų388%0.07521%0.205CC..Hα-helixtrans-62-46.3174.1-64.9-87.7000110.9I119 P123 N125 N131 R132 A133 D148 R151 I155I119-Y129 HydrophobicContact CD1-CD1 3.76Å; I119-Y129 HydrophobicContact CD1-CD2 4.41Å; I119-Y129 HydrophobicContact CD1-CE1 3.93Å; I119-Y129 HydrophobicContact CD1-CG 4.03Å; I119-Y129 HydrophobicContact CG1-CD1 4.37Å; I119-Y129 HydrophobicContact CG1-CD2 4.29Å; I119-Y129 HydrophobicContact CG1-CE1 4.25Å; I119-Y129 HydrophobicContact CG1-CE2 4.15Å; I119-Y129 HydrophobicContact CG1-CG 4.4Å; I119-Y129 HydrophobicContact CG2-CE1 3.74Å; I119-Y129 HydrophobicContact CG2-CE2 4.13Å; I119-Y129 VanDerWaalsContact CG2-CZ 3.47Å; I119-Y129 WeakPolarHBondContact CG2-OH 3.42Å; P123-Y129 VanDerWaalsContact O-CE2 3.25Å; P123-Y129 WeakPolarHBondContact O-CE2 3.17Å; P123-Y129 PolarHBondContact O-OH 3.43Å; P123-Y129 VanDerWaalsContact O-OH 3.07Å; N125-Y129 WeakPolarHBondContact O-CD2 3.3Å; Y129-N131 VanDerWaalsContact C-N 3.31Å; Y129-N131 PolarHBondContact O-N 2.97Å; Y129-R132 PolarHBondContact O-N 3.45Å; Y129-A133 WeakPolarHBondContact O-CB 3.36Å; Y129-A133 PolarHBondContact O-N 2.98Å; Y129-D148 WeakPolarHBondContact CB-O 3.38Å; Y129-D148 WeakPolarHBondContact O-CB 3.44Å; Y129-R151 HydrophobicContact CD1-CB 3.9Å; Y129-R151 HydrophobicContact CD1-CG 3.62Å; Y129-R151 HydrophobicContact CD2-CG 4.15Å; Y129-R151 HydrophobicContact CE1-CB 4.15Å; Y129-R151 HydrophobicContact CE1-CG 3.41Å; Y129-R151 VanDerWaalsContact CE1-CG 3.41Å; Y129-R151 HydrophobicContact CE2-CG 3.98Å; Y129-R151 HydrophobicContact CG-CB 4.23Å; Y129-R151 HydrophobicContact CG-CG 3.98Å; Y129-I155 HydrophobicContact CD2-CD1 3.71Å; Y129-I155 HydrophobicContact CE2-CD1 3.46Å; Y129-I155 VanDerWaalsContact CE2-CD1 3.46Å
130C98.4Very high96.4Very high0 Ų039.1 Ų39.10%022%0.221CC..Hα-helixtrans-57.8-44.7177.1-176.40000111.4A126 V127 A133 A134 A152 Y159 R165A126-C130 VanDerWaalsContact O-CB 3.27Å; A126-C130 WeakPolarHBondContact O-CB 3.48Å; A126-C130 PolarHBondContact O-N 3.27Å; V127-C130 PolarHBondContact O-N 3.33Å; C130-A133 WeakPolarHBondContact O-CB 3.42Å; C130-A133 PolarHBondContact O-N 2.85Å; C130-A134 PolarHBondContact O-N 3.17Å; C130-A134 VanDerWaalsContact O-N 3.14Å; C130-A152 HydrophobicContact CB-CB 4.26Å; C130-Y159 HydrophobicContact CB-CD1 4.21Å; C130-Y159 HydrophobicContact CB-CE1 3.42Å; C130-Y159 VanDerWaalsContact CB-CE1 3.42Å; C130-Y159 VanDerWaalsContact SG-CE1 3.57Å; C130-R165 PolarHBondContact O-NH1 3.49Å
131N98.6Very high96.5Very high18 Ų1838.5 Ų38.510%0.09621%0.206CC..Hα-helixtrans-64.4-42.4177.1-77.2-2.5000113.3N100 Y115 V127 Y128 Y129 A133 A134 A135 R165N100-N131 PolarHBondContact OD1-ND2 3.03Å; Y115-N131 HydrophobicContact CD1-CB 3.94Å; Y115-N131 HydrophobicContact CD2-CB 4.23Å; Y115-N131 HydrophobicContact CE1-CB 3.6Å; Y115-N131 HydrophobicContact CE2-CB 3.91Å; Y115-N131 HydrophobicContact CG-CB 4.26Å; V127-N131 VanDerWaalsContact O-CB 3.29Å; V127-N131 WeakPolarHBondContact O-CB 3.45Å; V127-N131 VanDerWaalsContact O-CG 3.26Å; V127-N131 PolarHBondContact O-N 3.12Å; Y128-N131 PolarHBondContact O-N 2.74Å; Y129-N131 VanDerWaalsContact C-N 3.31Å; Y129-N131 PolarHBondContact O-N 2.97Å; N131-A133 VanDerWaalsContact C-N 3.32Å; N131-A133 PolarHBondContact O-N 3.38Å; N131-A134 PolarHBondContact O-N 3.13Å; N131-A135 PolarHBondContact O-N 3.13Å; N131-A135 VanDerWaalsContact O-N 3.16Å; N131-R165 VanDerWaalsContact CA-NH1 3.34Å; N131-R165 PolarHBondContact OD1-NH1 3.17Å
132R98.6Very high96.9Very high37 Ų3739.6 Ų39.614%0.1421%0.207CC..Hα-helixtrans-64.3-37173.5-165171.567.9178.3-0.8112.1V112 Y115 S116 I119 Y128 Y129 A134 A135 Y136 D148V112-R132 HydrophobicContact CB-CG 4.46Å; V112-R132 HydrophobicContact CG1-CG 4.19Å; V112-R132 HydrophobicContact CG2-CG 4.27Å; Y115-R132 HydrophobicContact CD2-CB 4.04Å; Y115-R132 HydrophobicContact CD2-CG 4.5Å; Y115-R132 HydrophobicContact CG-CB 4.23Å; S116-R132 VanDerWaalsContact OG-CD 3.27Å; S116-R132 WeakPolarHBondContact OG-CD 3.42Å; S116-R132 PolarHBondContact OG-NH1 3.43Å; I119-R132 VanDerWaalsContact CD1-CZ 3.42Å; Y128-R132 WeakPolarHBondContact O-CB 3.45Å; Y128-R132 PolarHBondContact O-N 3.47Å; Y129-R132 PolarHBondContact O-N 3.45Å; R132-A134 VanDerWaalsContact C-N 3.3Å; R132-A134 PolarHBondContact O-N 3.5Å; R132-A135 WeakPolarHBondContact O-CB 3.37Å; R132-A135 PolarHBondContact O-N 3.04Å; R132-A135 VanDerWaalsContact O-N 3.1Å; R132-Y136 HydrophobicContact CG-CD2 4.08Å; R132-Y136 HydrophobicContact CG-CE2 3.74Å; R132-Y136 PolarHBondContact O-N 2.99Å; R132-D148 VanDerWaalsContact CB-OD2 3.32Å; R132-D148 WeakPolarHBondContact CB-OD2 3.26Å; R132-D148 WeakPolarHBondContact CG-OD2 3.44Å; R132-D148 IonicContact CZ-OD1 3.52Å; R132-D148 IonicContact CZ-OD2 3.58Å; R132-D148 IonicContact NE-OD1 3.48Å; R132-D148 PolarHBondContact NE-OD1 3.33Å; R132-D148 IonicContact NE-OD2 2.76Å; R132-D148 PolarHBondContact NE-OD2 2.87Å; R132-D148 IonicContact NH2-OD1 2.71Å; R132-D148 PolarHBondContact NH2-OD1 3.4Å; R132-D148 IonicContact NH2-OD2 2.7Å
133A98.5Very high97.1Very high0 Ų041.4 Ų41.40%022%0.224CC..Hα-helixtrans-60-37.7172.600000112.7Y129 C130 N131 Y136 S137 A145 D148 C149Y129-A133 WeakPolarHBondContact O-CB 3.36Å; Y129-A133 PolarHBondContact O-N 2.98Å; C130-A133 WeakPolarHBondContact O-CB 3.42Å; C130-A133 PolarHBondContact O-N 2.85Å; N131-A133 VanDerWaalsContact C-N 3.32Å; N131-A133 PolarHBondContact O-N 3.38Å; A133-Y136 PolarHBondContact O-N 3.42Å; A133-S137 WeakPolarHBondContact O-CB 3.32Å; A133-S137 PolarHBondContact O-N 2.64Å; A133-S137 PolarHBondContact O-OG 2.85Å; A133-A145 HydrophobicContact CB-CB 4.17Å; A133-A145 WeakPolarHBondContact CB-O 3.44Å; A133-A145 WeakPolarHBondContact O-CB 3.45Å; A133-D148 HydrophobicContact CB-CB 3.78Å; A133-C149 VanDerWaalsContact CB-SG 3.57Å
134A98.4Very high97.1Very high16 Ų1638.9 Ų38.913%0.13221%0.209CC..Hα-helixtrans-66.4-41173.200000112.7M103 C130 N131 R132 Y136 S137 K138M103-A134 HydrophobicContact CE-CB 4.3Å; C130-A134 PolarHBondContact O-N 3.17Å; C130-A134 VanDerWaalsContact O-N 3.14Å; N131-A134 PolarHBondContact O-N 3.13Å; R132-A134 VanDerWaalsContact C-N 3.3Å; R132-A134 PolarHBondContact O-N 3.5Å; A134-Y136 VanDerWaalsContact C-N 3.35Å; A134-S137 PolarHBondContact O-N 3.33Å; A134-K138 WeakPolarHBondContact O-CG 3.45Å; A134-K138 PolarHBondContact O-N 3.2Å
135A98.5Very high97.3Very high0 Ų033.5 Ų33.50%018%0.184CC..Hα-helixtrans-62.5-43.6175.300000111M103 A111 V112 Y115 N131 R132 S137 K138 L139M103-A135 HydrophobicContact CE-CB 4.48Å; M103-A135 HydrophobicContact SD-CB 3.6Å; A111-A135 HydrophobicContact CB-CB 4.22Å; V112-A135 HydrophobicContact CG2-CB 3.59Å; Y115-A135 HydrophobicContact CE2-CB 4.38Å; N131-A135 PolarHBondContact O-N 3.13Å; N131-A135 VanDerWaalsContact O-N 3.16Å; R132-A135 WeakPolarHBondContact O-CB 3.37Å; R132-A135 PolarHBondContact O-N 3.04Å; R132-A135 VanDerWaalsContact O-N 3.1Å; A135-S137 PolarHBondContact O-N 3.35Å; A135-K138 WeakPolarHBondContact O-CB 3.47Å; A135-K138 PolarHBondContact O-N 3.37Å; A135-K138 VanDerWaalsContact O-N 3.16Å; A135-L139 WeakPolarHBondContact O-CG 3.4Å; A135-L139 PolarHBondContact O-N 3.21Å
136Y98.4Very high97.5Very high47 Ų4733.1 Ų33.118%0.18418%0.183CC..Hα-helixtrans-60.5-43.8174-78.8-40000113.2V112 R132 A133 A134 K138 L139 G140 N141 D148V112-Y136 HydrophobicContact CB-CE1 4.46Å; V112-Y136 HydrophobicContact CG1-CE1 3.68Å; V112-Y136 HydrophobicContact CG2-CD1 3.88Å; V112-Y136 HydrophobicContact CG2-CE1 3.85Å; V112-Y136 HydrophobicContact CG2-CG 4.47Å; R132-Y136 HydrophobicContact CG-CD2 4.08Å; R132-Y136 HydrophobicContact CG-CE2 3.74Å; R132-Y136 PolarHBondContact O-N 2.99Å; A133-Y136 PolarHBondContact O-N 3.42Å; A134-Y136 VanDerWaalsContact C-N 3.35Å; Y136-K138 VanDerWaalsContact C-N 3.28Å; Y136-K138 PolarHBondContact O-N 3.37Å; Y136-L139 CarbonylContact O-C 3.24Å; Y136-L139 PolarHBondContact O-N 2.88Å; Y136-L139 VanDerWaalsContact O-N 3.09Å; Y136-G140 PolarHBondContact O-N 3.24Å; Y136-G140 VanDerWaalsContact O-N 3.11Å; Y136-N141 WeakPolarHBondContact CB-O 3.41Å; Y136-N141 HydrophobicContact CD1-CB 4.04Å; Y136-N141 HydrophobicContact CG-CB 4.43Å; Y136-N141 PolarHBondContact O-N 2.96Å; Y136-D148 WeakPolarHBondContact CD2-OD2 3.5Å; Y136-D148 VanDerWaalsContact CE2-OD2 3.26Å; Y136-D148 WeakPolarHBondContact CE2-OD2 3.27Å
137S97.9Very high97.5Very high15 Ų1539.1 Ų39.111%0.10521%0.21CC..Hα-helixtrans-60.4-37.6174.4-71.70000112.3A133 A134 A135 L139 G140 Y142 A145A133-S137 WeakPolarHBondContact O-CB 3.32Å; A133-S137 PolarHBondContact O-N 2.64Å; A133-S137 PolarHBondContact O-OG 2.85Å; A134-S137 PolarHBondContact O-N 3.33Å; A135-S137 PolarHBondContact O-N 3.35Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.43Å; S137-G140 PolarHBondContact O-N 3.07Å; S137-G140 VanDerWaalsContact O-N 3.16Å; S137-Y142 WeakPolarHBondContact O-CE1 3.45Å; S137-A145 WeakPolarHBondContact OG-CB 3.48Å
138K98.1Very high97.4Very high139 Ų13937.2 Ų37.260%0.60420%0.198SC*.Hα-helixtrans-68.8-28.6175.3-69.7-68.8-176.8176.80113.2M103 F108 A134 A135 Y136 G140M103-K138 HydrophobicContact CE-CG 4.33Å; F108-K138 HydrophobicContact CB-CB 4.31Å; F108-K138 HydrophobicContact CD1-CB 3.68Å; F108-K138 HydrophobicContact CD1-CG 4.01Å; F108-K138 HydrophobicContact CD2-CB 3.65Å; F108-K138 HydrophobicContact CE1-CB 3.83Å; F108-K138 HydrophobicContact CE1-CD 4.26Å; F108-K138 HydrophobicContact CE1-CG 3.78Å; F108-K138 HydrophobicContact CE2-CB 3.8Å; F108-K138 HydrophobicContact CE2-CD 4.49Å; F108-K138 HydrophobicContact CE2-CG 4.39Å; F108-K138 HydrophobicContact CG-CB 3.59Å; F108-K138 HydrophobicContact CG-CG 4.41Å; F108-K138 HydrophobicContact CZ-CB 3.89Å; F108-K138 HydrophobicContact CZ-CD 4.04Å; F108-K138 HydrophobicContact CZ-CG 3.99Å; A134-K138 WeakPolarHBondContact O-CG 3.45Å; A134-K138 PolarHBondContact O-N 3.2Å; A135-K138 WeakPolarHBondContact O-CB 3.47Å; A135-K138 PolarHBondContact O-N 3.37Å; A135-K138 VanDerWaalsContact O-N 3.16Å; Y136-K138 VanDerWaalsContact C-N 3.28Å; Y136-K138 PolarHBondContact O-N 3.37Å; K138-G140 VanDerWaalsContact C-N 3.28Å
139L97.1Very high97.4Very high87 Ų8737.2 Ų37.246%0.45520%0.198SC..THydrogen-bonded Turntrans-82.4-1.9172.4-67.9168.9000113.4F108 V112 A135 Y136 S137 N141F108-L139 HydrophobicContact CB-CD1 4.2Å; F108-L139 HydrophobicContact CB-CD2 3.81Å; F108-L139 HydrophobicContact CB-CG 3.7Å; V112-L139 HydrophobicContact CG2-CD1 3.96Å; A135-L139 WeakPolarHBondContact O-CG 3.4Å; A135-L139 PolarHBondContact O-N 3.21Å; Y136-L139 CarbonylContact O-C 3.24Å; Y136-L139 PolarHBondContact O-N 2.88Å; Y136-L139 VanDerWaalsContact O-N 3.09Å; S137-L139 VanDerWaalsContact C-N 3.3Å; S137-L139 PolarHBondContact O-N 3.43Å; L139-N141 PolarHBondContact O-N 3.45Å
140G96.3Very high97.4Very high38 Ų3840.8 Ų40.839%0.39222%0.215SC..THydrogen-bonded Turntrans73.85.3-173.700000114.5Y136 S137 K138 Y142Y136-G140 PolarHBondContact O-N 3.24Å; Y136-G140 VanDerWaalsContact O-N 3.11Å; S137-G140 PolarHBondContact O-N 3.07Å; S137-G140 VanDerWaalsContact O-N 3.16Å; K138-G140 VanDerWaalsContact C-N 3.28Å; G140-Y142 VanDerWaalsContact O-CD2 3.29Å; G140-Y142 WeakPolarHBondContact O-CD2 3.43Å; G140-Y142 PolarHBondContact O-N 3.35Å
141N96.6Very high97.3Very high68 Ų6845 Ų4536%0.36423%0.231SC..  trans-81.769.5174-175.55.3000110.7Y136 L139 A143 G144 A145Y136-N141 WeakPolarHBondContact CB-O 3.41Å; Y136-N141 HydrophobicContact CD1-CB 4.04Å; Y136-N141 HydrophobicContact CG-CB 4.43Å; Y136-N141 PolarHBondContact O-N 2.96Å; L139-N141 PolarHBondContact O-N 3.45Å; N141-A143 VanDerWaalsContact C-N 3.3Å; N141-A143 PolarHBondContact O-N 3.01Å; N141-G144 PolarHBondContact O-N 3.4Å; N141-G144 PolarHBondContact OD1-N 3.29Å; N141-A145 PolarHBondContact O-N 2.9Å; N141-A145 VanDerWaalsContact O-N 3.09Å
142Y96.8Very high97.3Very high73 Ų7344.1 Ų44.129%0.28623%0.226SC..Hα-helixtrans-68.4-28.5-177-54.5-62.7000113.1S137 G140 A145 V146 S172 L173S137-Y142 WeakPolarHBondContact O-CE1 3.45Å; G140-Y142 VanDerWaalsContact O-CD2 3.29Å; G140-Y142 WeakPolarHBondContact O-CD2 3.43Å; G140-Y142 PolarHBondContact O-N 3.35Å; Y142-A145 PolarHBondContact O-N 3.09Å; Y142-V146 WeakPolarHBondContact O-CG2 3.47Å; Y142-V146 PolarHBondContact O-N 3.28Å; Y142-S172 VanDerWaalsContact CD1-CB 3.49Å; Y142-S172 VanDerWaalsContact CE1-CB 3.46Å; Y142-S172 WeakPolarHBondContact CE1-OG 3.49Å; Y142-S172 VanDerWaalsContact CZ-CB 3.5Å; Y142-L173 HydrophobicContact CD2-CD2 4.5Å
143A95.4Very high97.2Very high57 Ų5743.6 Ų43.647%0.47123%0.226SC..Hα-helixtrans-65.2-44.8175.100000111.8N141 A145 V146 Q147N141-A143 VanDerWaalsContact C-N 3.3Å; N141-A143 PolarHBondContact O-N 3.01Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.19Å; A143-V146 PolarHBondContact O-N 2.91Å; A143-Q147 PolarHBondContact O-N 2.69Å
144G92.8Very high97.1Very high6 Ų652.4 Ų52.46%0.06226%0.259CS..Hα-helixtrans-64.1-37.6173.200000112.5N141 V146 Q147 D148N141-G144 PolarHBondContact O-N 3.4Å; N141-G144 PolarHBondContact OD1-N 3.29Å; G144-V146 PolarHBondContact O-N 3.38Å; G144-Q147 PolarHBondContact O-N 3.2Å; G144-D148 PolarHBondContact O-N 3.44Å; G144-D148 VanDerWaalsContact O-N 3.07Å
145A97.8Very high96.9Very high0 Ų053 Ų530%026%0.26CS..Hα-helixtrans-62.5-40.2174.900000112.7A133 S137 N141 Y142 A143 D148 C149 A169A133-A145 HydrophobicContact CB-CB 4.17Å; A133-A145 WeakPolarHBondContact CB-O 3.44Å; A133-A145 WeakPolarHBondContact O-CB 3.45Å; S137-A145 WeakPolarHBondContact OG-CB 3.48Å; N141-A145 PolarHBondContact O-N 2.9Å; N141-A145 VanDerWaalsContact O-N 3.09Å; Y142-A145 PolarHBondContact O-N 3.09Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.19Å; A145-D148 PolarHBondContact O-N 3.16Å; A145-C149 WeakPolarHBondContact O-CB 3.37Å; A145-C149 PolarHBondContact O-N 3.03Å; A145-C149 PolarHBondContact O-SG 3.31Å; A145-A169 HydrophobicContact CB-CB 3.92Å
146V97.7Very high96.8Very high19 Ų1956 Ų5612%0.11528%0.276CS..Hα-helixtrans-59.6-51.1174.21640000110.8Y142 A143 G144 D148 C149 E150 M166 A169 L170 L173Y142-V146 WeakPolarHBondContact O-CG2 3.47Å; Y142-V146 PolarHBondContact O-N 3.28Å; A143-V146 PolarHBondContact O-N 2.91Å; G144-V146 PolarHBondContact O-N 3.38Å; V146-D148 VanDerWaalsContact C-N 3.31Å; V146-D148 PolarHBondContact O-N 3.2Å; V146-C149 PolarHBondContact O-N 3.41Å; V146-C149 VanDerWaalsContact O-N 3.11Å; V146-E150 WeakPolarHBondContact O-CG 3.43Å; V146-E150 PolarHBondContact O-N 3.48Å; V146-M166 HydrophobicContact CB-SD 4.12Å; V146-M166 HydrophobicContact CG1-CE 3.82Å; V146-M166 HydrophobicContact CG1-SD 3.86Å; V146-M166 HydrophobicContact CG2-SD 4.04Å; V146-A169 HydrophobicContact CG2-CB 3.77Å; V146-L170 HydrophobicContact CG2-CD2 4.04Å; V146-L170 HydrophobicContact CG2-CG 4.22Å; V146-L173 HydrophobicContact CG2-CD1 4.14Å
147Q97.1Very high96.7Very high133 Ų13357.2 Ų57.262%0.62129%0.29SS*.Hα-helixtrans-58-43.1179.9-70.2-179.9-23.900112.4A143 G144 E150 R151A143-Q147 PolarHBondContact O-N 2.69Å; G144-Q147 PolarHBondContact O-N 3.2Å; Q147-E150 PolarHBondContact O-N 2.7Å; Q147-R151 PolarHBondContact O-N 3.07Å; Q147-R151 VanDerWaalsContact O-N 3.08Å
148D96.3Very high96.6Very high9 Ų962.4 Ų62.45%0.04832%0.316CS..Hα-helixtrans-68.3-36.8177.1-86.3-9.2000112.4Y129 R132 A133 Y136 G144 A145 V146 R151 A152Y129-D148 WeakPolarHBondContact CB-O 3.38Å; Y129-D148 WeakPolarHBondContact O-CB 3.44Å; R132-D148 VanDerWaalsContact CB-OD2 3.32Å; R132-D148 WeakPolarHBondContact CB-OD2 3.26Å; R132-D148 WeakPolarHBondContact CG-OD2 3.44Å; R132-D148 IonicContact CZ-OD1 3.52Å; R132-D148 IonicContact CZ-OD2 3.58Å; R132-D148 IonicContact NE-OD1 3.48Å; R132-D148 PolarHBondContact NE-OD1 3.33Å; R132-D148 IonicContact NE-OD2 2.76Å; R132-D148 PolarHBondContact NE-OD2 2.87Å; R132-D148 IonicContact NH2-OD1 2.71Å; R132-D148 PolarHBondContact NH2-OD1 3.4Å; R132-D148 IonicContact NH2-OD2 2.7Å; A133-D148 HydrophobicContact CB-CB 3.78Å; Y136-D148 WeakPolarHBondContact CD2-OD2 3.5Å; Y136-D148 VanDerWaalsContact CE2-OD2 3.26Å; Y136-D148 WeakPolarHBondContact CE2-OD2 3.27Å; G144-D148 PolarHBondContact O-N 3.44Å; G144-D148 VanDerWaalsContact O-N 3.07Å; A145-D148 PolarHBondContact O-N 3.16Å; V146-D148 VanDerWaalsContact C-N 3.31Å; V146-D148 PolarHBondContact O-N 3.2Å; D148-R151 PolarHBondContact O-N 3.34Å; D148-A152 WeakPolarHBondContact O-CB 3.41Å; D148-A152 PolarHBondContact O-N 3.37Å
149C97.8Very high96.6Very high0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-66-42.4174.9-68.50000111.8A133 A145 V146 R151 A152 I153 M166A133-C149 VanDerWaalsContact CB-SG 3.57Å; A145-C149 WeakPolarHBondContact O-CB 3.37Å; A145-C149 PolarHBondContact O-N 3.03Å; A145-C149 PolarHBondContact O-SG 3.31Å; V146-C149 PolarHBondContact O-N 3.41Å; V146-C149 VanDerWaalsContact O-N 3.11Å; C149-R151 VanDerWaalsContact C-N 3.28Å; C149-R151 PolarHBondContact O-N 3.25Å; C149-A152 PolarHBondContact O-N 3.08Å; C149-I153 WeakPolarHBondContact O-CB 3.37Å; C149-I153 VanDerWaalsContact O-CG1 3.27Å; C149-I153 WeakPolarHBondContact O-CG1 3.31Å; C149-I153 PolarHBondContact O-N 2.76Å; C149-M166 HydrophobicContact CB-CB 3.82Å; C149-M166 HydrophobicContact CB-CG 4.34Å; C149-M166 HydrophobicContact CB-SD 3.8Å
150E97.8Very high96.6Very high94 Ų9454.3 Ų54.344%0.43928%0.279SS..Hα-helixtrans-58.4-42.5174.1-71.2178.1166.500111.6V146 Q147 I153 R154 M166V146-E150 WeakPolarHBondContact O-CG 3.43Å; V146-E150 PolarHBondContact O-N 3.48Å; Q147-E150 PolarHBondContact O-N 2.7Å; E150-I153 PolarHBondContact O-N 3.48Å; E150-R154 WeakPolarHBondContact O-CB 3.4Å; E150-R154 PolarHBondContact O-N 3.46Å; E150-M166 HydrophobicContact CG-CE 3.56Å; E150-M166 HydrophobicContact CG-SD 4.46Å
151R97.1Very high96.7Very high89 Ų8957.6 Ų57.634%0.33628%0.283SS..Hα-helixtrans-66.4-43.6177.1-171.559.1179.7174.38.4111.7Y129 Q147 D148 C149 R154 I155Y129-R151 HydrophobicContact CD1-CB 3.9Å; Y129-R151 HydrophobicContact CD1-CG 3.62Å; Y129-R151 HydrophobicContact CD2-CG 4.15Å; Y129-R151 HydrophobicContact CE1-CB 4.15Å; Y129-R151 HydrophobicContact CE1-CG 3.41Å; Y129-R151 VanDerWaalsContact CE1-CG 3.41Å; Y129-R151 HydrophobicContact CE2-CG 3.98Å; Y129-R151 HydrophobicContact CG-CB 4.23Å; Y129-R151 HydrophobicContact CG-CG 3.98Å; Q147-R151 PolarHBondContact O-N 3.07Å; Q147-R151 VanDerWaalsContact O-N 3.08Å; D148-R151 PolarHBondContact O-N 3.34Å; C149-R151 VanDerWaalsContact C-N 3.28Å; C149-R151 PolarHBondContact O-N 3.25Å; R151-R154 PolarHBondContact O-N 2.89Å; R151-I155 HydrophobicContact CG-CD1 4.11Å; R151-I155 VanDerWaalsContact O-CG1 3.3Å; R151-I155 WeakPolarHBondContact O-CG1 3.5Å; R151-I155 PolarHBondContact O-N 3.4Å; R151-I155 VanDerWaalsContact O-N 3.09Å
152A97.4Very high96.8Very high0 Ų054.4 Ų54.40%027%0.265CS..Hα-helixtrans-59.8-45.4175.800000111.9A126 C130 D148 C149 R154 I155 D156 A162A126-A152 HydrophobicContact CB-CB 4.24Å; A126-A152 WeakPolarHBondContact CB-O 3.49Å; A126-A152 WeakPolarHBondContact O-CB 3.27Å; C130-A152 HydrophobicContact CB-CB 4.26Å; D148-A152 WeakPolarHBondContact O-CB 3.41Å; D148-A152 PolarHBondContact O-N 3.37Å; C149-A152 PolarHBondContact O-N 3.08Å; A152-R154 VanDerWaalsContact C-N 3.35Å; A152-R154 PolarHBondContact O-N 2.91Å; A152-I155 PolarHBondContact O-N 2.88Å; A152-D156 PolarHBondContact O-N 2.95Å; A152-A162 HydrophobicContact CB-CB 3.82Å
153I97.6Very high96.8Very high25 Ų2552.1 Ų52.113%0.12826%0.257CS..Hα-helixtrans-64-39.3177.7-70.6165.2000111.4C149 E150 I155 D156 P157 A162 Y163 Y182C149-I153 WeakPolarHBondContact O-CB 3.37Å; C149-I153 VanDerWaalsContact O-CG1 3.27Å; C149-I153 WeakPolarHBondContact O-CG1 3.31Å; C149-I153 PolarHBondContact O-N 2.76Å; E150-I153 PolarHBondContact O-N 3.48Å; I153-I155 VanDerWaalsContact C-N 3.27Å; I153-I155 PolarHBondContact O-N 3.11Å; I153-D156 CarbonylContact O-C 3.54Å; I153-D156 VanDerWaalsContact O-C 3.24Å; I153-P157 WeakPolarHBondContact O-CA 3.42Å; I153-P157 WeakPolarHBondContact O-CD 3.38Å; I153-P157 WeakPolarHBondContact O-CG 3.45Å; I153-P157 VanDerWaalsContact O-N 3.11Å; I153-A162 HydrophobicContact CG1-CB 3.79Å; I153-Y163 HydrophobicContact CD1-CD1 3.88Å; I153-Y163 HydrophobicContact CD1-CD2 4.4Å; I153-Y163 HydrophobicContact CD1-CE1 3.85Å; I153-Y163 HydrophobicContact CD1-CE2 4.4Å; I153-Y163 HydrophobicContact CD1-CG 4.14Å; I153-Y163 HydrophobicContact CG1-CD1 4.43Å; I153-Y163 HydrophobicContact CG1-CD2 4.16Å; I153-Y163 HydrophobicContact CG1-CE1 4.2Å; I153-Y163 HydrophobicContact CG1-CE2 3.93Å; I153-Y163 HydrophobicContact CG1-CG 4.4Å; I153-Y163 HydrophobicContact CG2-CE1 4.1Å; I153-Y163 HydrophobicContact CG2-CE2 4.2Å; I153-Y163 VanDerWaalsContact CG2-OH 3.28Å; I153-Y163 WeakPolarHBondContact CG2-OH 3.31Å; I153-Y182 HydrophobicContact CD1-CD1 4.42Å; I153-Y182 HydrophobicContact CD1-CE1 4.2Å
154R97.1Very high97Very high185 Ų18549.7 Ų49.770%0.69824%0.237SC*.Hα-helixtrans-64.6-34176.4-170-180-61.5-173.73.1112.2E150 R151 A152E150-R154 WeakPolarHBondContact O-CB 3.4Å; E150-R154 PolarHBondContact O-N 3.46Å; R151-R154 PolarHBondContact O-N 2.89Å; A152-R154 VanDerWaalsContact C-N 3.35Å; A152-R154 PolarHBondContact O-N 2.91Å
155I93.3Very high97.2Very high28 Ų2852.6 Ų52.614%0.14425%0.246CC..Hα-helixtrans-76.8-47.2178.2-68.5165.9000110.7P123 Q124 A126 Y129 R151 A152 I153P123-I155 WeakPolarHBondContact O-CD1 3.45Å; Q124-I155 HydrophobicContact CG-CG2 4.47Å; Q124-I155 WeakPolarHBondContact O-CG2 3.25Å; A126-I155 HydrophobicContact CB-CB 4.03Å; A126-I155 HydrophobicContact CB-CG2 3.8Å; Y129-I155 HydrophobicContact CD2-CD1 3.71Å; Y129-I155 HydrophobicContact CE2-CD1 3.46Å; Y129-I155 VanDerWaalsContact CE2-CD1 3.46Å; R151-I155 HydrophobicContact CG-CD1 4.11Å; R151-I155 VanDerWaalsContact O-CG1 3.3Å; R151-I155 WeakPolarHBondContact O-CG1 3.5Å; R151-I155 PolarHBondContact O-N 3.4Å; R151-I155 VanDerWaalsContact O-N 3.09Å; A152-I155 PolarHBondContact O-N 2.88Å; I153-I155 VanDerWaalsContact C-N 3.27Å; I153-I155 PolarHBondContact O-N 3.11Å
156D95.9Very high97.3Very high63 Ų6352.8 Ų52.834%0.33725%0.247SC..  trans-134.196178.4-176.30.6000110.8A126 A152 I153 N158 Y159A126-D156 HydrophobicContact CB-CB 3.74Å; A152-D156 PolarHBondContact O-N 2.95Å; I153-D156 CarbonylContact O-C 3.54Å; I153-D156 VanDerWaalsContact O-C 3.24Å; D156-N158 PolarHBondContact O-N 2.96Å; D156-N158 PolarHBondContact OD1-N 3.49Å; D156-Y159 WeakPolarHBondContact O-CB 3.43Å; D156-Y159 PolarHBondContact O-N 3.49Å
157P96.5Very high97.3Very high73 Ų7351.9 Ų51.947%0.47424%0.241SC..THydrogen-bonded Turntrans-66.5-10.8178.1-22.634000114.7I153 Y163I153-P157 WeakPolarHBondContact O-CA 3.42Å; I153-P157 WeakPolarHBondContact O-CD 3.38Å; I153-P157 WeakPolarHBondContact O-CG 3.45Å; I153-P157 VanDerWaalsContact O-N 3.11Å; P157-Y163 VanDerWaalsContact O-CE2 3.25Å; P157-Y163 WeakPolarHBondContact O-CE2 3.42Å; P157-Y163 PolarHBondContact O-OH 3.48Å
158N96.6Very high97.3Very high124 Ų12448.8 Ų48.866%0.66323%0.229SC*.THydrogen-bonded Turntrans-99.56.2178.5-63.9-39.9000112.2D156 S160D156-N158 PolarHBondContact O-N 2.96Å; D156-N158 PolarHBondContact OD1-N 3.49Å; N158-S160 PolarHBondContact O-N 3.46Å; N158-S160 VanDerWaalsContact O-N 3.07Å
159Y97.1Very high97.4Very high36 Ų3648.4 Ų48.414%0.14123%0.226CC..  trans-83.587.6-177-168.2-155.5000112.6A126 V127 C130 D156 K161 A162A126-Y159 HydrophobicContact CB-CD1 4.01Å; V127-Y159 HydrophobicContact CG2-CE1 4.37Å; C130-Y159 HydrophobicContact CB-CD1 4.21Å; C130-Y159 HydrophobicContact CB-CE1 3.42Å; C130-Y159 VanDerWaalsContact CB-CE1 3.42Å; C130-Y159 VanDerWaalsContact SG-CE1 3.57Å; D156-Y159 WeakPolarHBondContact O-CB 3.43Å; D156-Y159 PolarHBondContact O-N 3.49Å; Y159-K161 HydrophobicContact CD2-CB 4.24Å; Y159-K161 HydrophobicContact CE2-CB 3.75Å; Y159-K161 HydrophobicContact CE2-CD 3.92Å; Y159-K161 HydrophobicContact CE2-CG 4.06Å; Y159-K161 PolarHBondContact O-N 3.36Å; Y159-A162 HydrophobicContact CD1-CB 3.92Å; Y159-A162 HydrophobicContact CG-CB 4.38Å; Y159-A162 WeakPolarHBondContact O-CB 3.46Å; Y159-A162 PolarHBondContact O-N 2.84Å
160S97.9Very high97.4Very high20 Ų2048.6 Ų48.614%0.1423%0.227CC..Hα-helixtrans-49.6-38.5-176.1690000114.2N158 A162 Y163 G164N158-S160 PolarHBondContact O-N 3.46Å; N158-S160 VanDerWaalsContact O-N 3.07Å; S160-A162 VanDerWaalsContact C-N 3.3Å; S160-A162 PolarHBondContact O-N 3.48Å; S160-Y163 PolarHBondContact O-N 3.35Å; S160-G164 PolarHBondContact O-N 2.95Å
161K97.9Very high97.4Very high108 Ų10845 Ų4547%0.4721%0.214SC..Hα-helixtrans-61.6-33.6178.4-67.4-179.2-176.6170.80113.5Y159 R165 Y196Y159-K161 HydrophobicContact CD2-CB 4.24Å; Y159-K161 HydrophobicContact CE2-CB 3.75Å; Y159-K161 HydrophobicContact CE2-CD 3.92Å; Y159-K161 HydrophobicContact CE2-CG 4.06Å; Y159-K161 PolarHBondContact O-N 3.36Å; K161-R165 WeakPolarHBondContact O-CB 3.33Å; K161-R165 VanDerWaalsContact O-CG 3.32Å; K161-R165 WeakPolarHBondContact O-CG 3.49Å; K161-R165 PolarHBondContact O-N 3.16Å; K161-Y196 VanDerWaalsContact CA-OH 3.31Å; K161-Y196 WeakPolarHBondContact CA-OH 3.37Å
162A98.1Very high97.4Very high0 Ų042.9 Ų42.90%021%0.213CC..Hα-helixtrans-68.1-42.3177.100000111A152 I153 Y159 S160 R165 M166A152-A162 HydrophobicContact CB-CB 3.82Å; I153-A162 HydrophobicContact CG1-CB 3.79Å; Y159-A162 HydrophobicContact CD1-CB 3.92Å; Y159-A162 HydrophobicContact CG-CB 4.38Å; Y159-A162 WeakPolarHBondContact O-CB 3.46Å; Y159-A162 PolarHBondContact O-N 2.84Å; S160-A162 VanDerWaalsContact C-N 3.3Å; S160-A162 PolarHBondContact O-N 3.48Å; A162-R165 PolarHBondContact O-N 3.02Å; A162-M166 WeakPolarHBondContact O-CB 3.37Å; A162-M166 PolarHBondContact O-N 3.1Å
163Y98.6Very high97.3Very high26 Ų2646.2 Ų46.210%0.10223%0.23CC..Hα-helixtrans-63.2-44.9173.8-70.3-87.1000112.3I153 P157 S160 R165 M166 G167 Y182 K185 L189I153-Y163 HydrophobicContact CD1-CD1 3.88Å; I153-Y163 HydrophobicContact CD1-CD2 4.4Å; I153-Y163 HydrophobicContact CD1-CE1 3.85Å; I153-Y163 HydrophobicContact CD1-CE2 4.4Å; I153-Y163 HydrophobicContact CD1-CG 4.14Å; I153-Y163 HydrophobicContact CG1-CD1 4.43Å; I153-Y163 HydrophobicContact CG1-CD2 4.16Å; I153-Y163 HydrophobicContact CG1-CE1 4.2Å; I153-Y163 HydrophobicContact CG1-CE2 3.93Å; I153-Y163 HydrophobicContact CG1-CG 4.4Å; I153-Y163 HydrophobicContact CG2-CE1 4.1Å; I153-Y163 HydrophobicContact CG2-CE2 4.2Å; I153-Y163 VanDerWaalsContact CG2-OH 3.28Å; I153-Y163 WeakPolarHBondContact CG2-OH 3.31Å; P157-Y163 VanDerWaalsContact O-CE2 3.25Å; P157-Y163 WeakPolarHBondContact O-CE2 3.42Å; P157-Y163 PolarHBondContact O-OH 3.48Å; S160-Y163 PolarHBondContact O-N 3.35Å; Y163-R165 VanDerWaalsContact C-N 3.34Å; Y163-R165 PolarHBondContact O-N 3.11Å; Y163-M166 WeakPolarHBondContact O-CB 3.5Å; Y163-M166 PolarHBondContact O-N 3.33Å; Y163-G167 PolarHBondContact O-N 3.49Å; Y163-Y182 AromaticContact CD1-CD1 3.79Å; Y163-Y182 HydrophobicContact CD1-CD1 3.79Å; Y163-Y182 HydrophobicContact CD1-CE1 4.38Å; Y163-Y182 HydrophobicContact CE1-CD1 4.37Å; Y163-K185 HydrophobicContact CD1-CB 3.75Å; Y163-K185 HydrophobicContact CD1-CG 3.48Å; Y163-K185 VanDerWaalsContact CD1-CG 3.48Å; Y163-K185 HydrophobicContact CE1-CB 4.13Å; Y163-K185 HydrophobicContact CE1-CG 3.41Å; Y163-K185 VanDerWaalsContact CE1-CG 3.41Å; Y163-K185 HydrophobicContact CE2-CG 4.42Å; Y163-K185 HydrophobicContact CG-CB 4.35Å; Y163-K185 HydrophobicContact CG-CG 4.07Å; Y163-L189 HydrophobicContact CD2-CD1 3.71Å; Y163-L189 HydrophobicContact CE2-CD1 3.77Å
164G98.3Very high97.2Very high5 Ų550.8 Ų50.85%0.05226%0.255CS..Hα-helixtrans-62-38.9176.800000113.1S160 L168 Y183S160-G164 PolarHBondContact O-N 2.95Å; G164-L168 PolarHBondContact O-N 3.09Å; G164-L168 VanDerWaalsContact O-N 3.12Å; G164-Y183 VanDerWaalsContact O-CE1 3.29Å; G164-Y183 WeakPolarHBondContact O-CE1 3.26Å
165R98.3Very high97.2Very high68 Ų6846.7 Ų46.726%0.25724%0.242SC..Hα-helixtrans-72.5-35.3176-73.2-177.3-175.6-177.6-1112.9C130 N131 K161 A162 Y163 L168 A169C130-R165 PolarHBondContact O-NH1 3.49Å; N131-R165 VanDerWaalsContact CA-NH1 3.34Å; N131-R165 PolarHBondContact OD1-NH1 3.17Å; K161-R165 WeakPolarHBondContact O-CB 3.33Å; K161-R165 VanDerWaalsContact O-CG 3.32Å; K161-R165 WeakPolarHBondContact O-CG 3.49Å; K161-R165 PolarHBondContact O-N 3.16Å; A162-R165 PolarHBondContact O-N 3.02Å; Y163-R165 VanDerWaalsContact C-N 3.34Å; Y163-R165 PolarHBondContact O-N 3.11Å; R165-L168 PolarHBondContact O-N 2.88Å; R165-A169 WeakPolarHBondContact O-CB 3.45Å; R165-A169 PolarHBondContact O-N 3.11Å
166M98.3Very high97.3Very high3 Ų346.2 Ų46.22%0.01524%0.239CC..Hα-helixtrans-59.7-48.7171.6-173.664.4156.300110.8V146 C149 E150 A162 Y163 L168 A169 L170 Y182V146-M166 HydrophobicContact CB-SD 4.12Å; V146-M166 HydrophobicContact CG1-CE 3.82Å; V146-M166 HydrophobicContact CG1-SD 3.86Å; V146-M166 HydrophobicContact CG2-SD 4.04Å; C149-M166 HydrophobicContact CB-CB 3.82Å; C149-M166 HydrophobicContact CB-CG 4.34Å; C149-M166 HydrophobicContact CB-SD 3.8Å; E150-M166 HydrophobicContact CG-CE 3.56Å; E150-M166 HydrophobicContact CG-SD 4.46Å; A162-M166 WeakPolarHBondContact O-CB 3.37Å; A162-M166 PolarHBondContact O-N 3.1Å; Y163-M166 WeakPolarHBondContact O-CB 3.5Å; Y163-M166 PolarHBondContact O-N 3.33Å; M166-L168 VanDerWaalsContact C-N 3.28Å; M166-L168 PolarHBondContact O-N 3.09Å; M166-A169 PolarHBondContact O-N 3.33Å; M166-L170 HydrophobicContact CE-CD1 4.32Å; M166-L170 HydrophobicContact CG-CD1 3.9Å; M166-L170 WeakPolarHBondContact O-CB 3.3Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.42Å; M166-L170 PolarHBondContact O-N 3.37Å; M166-L170 HydrophobicContact SD-CD1 4.3Å; M166-L170 HydrophobicContact SD-CG 4.48Å; M166-Y182 HydrophobicContact CB-CD1 3.94Å; M166-Y182 HydrophobicContact CB-CE1 4.47Å; M166-Y182 HydrophobicContact CB-CG 4.11Å; M166-Y182 HydrophobicContact CE-CE1 4.1Å; M166-Y182 HydrophobicContact CE-CE2 4.01Å; M166-Y182 HydrophobicContact CG-CD1 3.48Å; M166-Y182 VanDerWaalsContact CG-CD1 3.48Å; M166-Y182 HydrophobicContact CG-CD2 3.84Å; M166-Y182 HydrophobicContact CG-CE1 3.64Å; M166-Y182 HydrophobicContact CG-CE2 3.97Å; M166-Y182 HydrophobicContact CG-CG 3.61Å
167G98.1Very high97.3Very high0 Ų048.1 Ų48.10%025%0.253CS..Hα-helixtrans-56.9-42175.400000112.2Y163 A171 A179 Y183Y163-G167 PolarHBondContact O-N 3.49Å; G167-A171 VanDerWaalsContact O-CB 3.28Å; G167-A171 WeakPolarHBondContact O-CB 3.5Å; G167-A171 PolarHBondContact O-N 3.27Å; G167-A179 VanDerWaalsContact O-CB 3.25Å; G167-A179 WeakPolarHBondContact O-CB 3.33Å; G167-Y183 VanDerWaalsContact C-OH 3.3Å
168L98.1Very high97.2Very high69 Ų6949 Ų4936%0.36125%0.251SS..Hα-helixtrans-64.6-48.4177.3-179.265.6000112.4G164 R165 M166 L170 A171 S172 Y183G164-L168 PolarHBondContact O-N 3.09Å; G164-L168 VanDerWaalsContact O-N 3.12Å; R165-L168 PolarHBondContact O-N 2.88Å; M166-L168 VanDerWaalsContact C-N 3.28Å; M166-L168 PolarHBondContact O-N 3.09Å; L168-L170 VanDerWaalsContact C-N 3.35Å; L168-L170 PolarHBondContact O-N 2.93Å; L168-A171 PolarHBondContact O-N 3.34Å; L168-S172 PolarHBondContact O-N 3.11Å; L168-S172 PolarHBondContact O-OG 3.12Å; L168-S172 VanDerWaalsContact O-OG 3.12Å; L168-Y183 WeakPolarHBondContact CA-OH 3.3Å; L168-Y183 WeakPolarHBondContact CB-OH 3.5Å; L168-Y183 PolarHBondContact N-OH 3.16Å
169A98.1Very high97.3Very high0 Ų043.1 Ų43.10%022%0.22CC..Hα-helixtrans-62.7-42.4-18000000111.5A145 V146 R165 M166 S172 L173A145-A169 HydrophobicContact CB-CB 3.92Å; V146-A169 HydrophobicContact CG2-CB 3.77Å; R165-A169 WeakPolarHBondContact O-CB 3.45Å; R165-A169 PolarHBondContact O-N 3.11Å; M166-A169 PolarHBondContact O-N 3.33Å; A169-S172 PolarHBondContact O-N 3.41Å; A169-L173 WeakPolarHBondContact O-CG 3.45Å; A169-L173 PolarHBondContact O-N 3.32Å; A169-L173 VanDerWaalsContact O-N 3.11Å
170L98Very high97.3Very high4 Ų441.9 Ų41.92%0.02122%0.216CC..Hα-helixtrans-65-42.4176-70.7169.4000112.3V146 M166 L168 S172 L173 N174 K175 E178 A179 Y182V146-L170 HydrophobicContact CG2-CD2 4.04Å; V146-L170 HydrophobicContact CG2-CG 4.22Å; M166-L170 HydrophobicContact CE-CD1 4.32Å; M166-L170 HydrophobicContact CG-CD1 3.9Å; M166-L170 WeakPolarHBondContact O-CB 3.3Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.42Å; M166-L170 PolarHBondContact O-N 3.37Å; M166-L170 HydrophobicContact SD-CD1 4.3Å; M166-L170 HydrophobicContact SD-CG 4.48Å; L168-L170 VanDerWaalsContact C-N 3.35Å; L168-L170 PolarHBondContact O-N 2.93Å; L170-S172 VanDerWaalsContact C-N 3.29Å; L170-S172 PolarHBondContact O-N 3.03Å; L170-L173 CarbonylContact O-C 3.49Å; L170-L173 WeakPolarHBondContact O-CA 3.18Å; L170-L173 WeakPolarHBondContact O-CB 3.41Å; L170-L173 PolarHBondContact O-N 3Å; L170-N174 PolarHBondContact O-N 3.47Å; L170-K175 HydrophobicContact CB-CB 4.22Å; L170-K175 HydrophobicContact CD2-CB 4.23Å; L170-K175 HydrophobicContact CD2-CD 3.71Å; L170-K175 WeakPolarHBondContact O-CB 3.19Å; L170-K175 PolarHBondContact O-N 3.31Å; L170-E178 HydrophobicContact CD1-CB 3.99Å; L170-A179 HydrophobicContact CB-CB 3.97Å; L170-Y182 HydrophobicContact CD1-CD2 3.33Å; L170-Y182 HydrophobicContact CD1-CE2 3.54Å; L170-Y182 HydrophobicContact CD1-CG 4.29Å
171A97.3Very high97.3Very high18 Ų1842.4 Ų42.415%0.14923%0.225CC..Hα-helixtrans-61.5-38.3175.700000111.9G167 L168 L173 N174 H176 A179G167-A171 VanDerWaalsContact O-CB 3.28Å; G167-A171 WeakPolarHBondContact O-CB 3.5Å; G167-A171 PolarHBondContact O-N 3.27Å; L168-A171 PolarHBondContact O-N 3.34Å; A171-L173 PolarHBondContact O-N 3.4Å; A171-N174 PolarHBondContact O-N 2.92Å; A171-N174 VanDerWaalsContact O-N 3.08Å; A171-H176 PolarHBondContact O-CE1 3.05Å; A171-A179 HydrophobicContact CB-CB 3.95Å
172S96.9Very high97.3Very high45 Ų4540.7 Ų40.732%0.31522%0.216SC..Hα-helixtrans-68.2-22.8173.9-61.80000113.6Y142 L168 A169 L170 N174Y142-S172 VanDerWaalsContact CD1-CB 3.49Å; Y142-S172 VanDerWaalsContact CE1-CB 3.46Å; Y142-S172 WeakPolarHBondContact CE1-OG 3.49Å; Y142-S172 VanDerWaalsContact CZ-CB 3.5Å; L168-S172 PolarHBondContact O-N 3.11Å; L168-S172 PolarHBondContact O-OG 3.12Å; L168-S172 VanDerWaalsContact O-OG 3.12Å; A169-S172 PolarHBondContact O-N 3.41Å; L170-S172 VanDerWaalsContact C-N 3.29Å; L170-S172 PolarHBondContact O-N 3.03Å; S172-N174 VanDerWaalsContact C-N 3.27Å
173L95.7Very high97.4Very high70 Ų7040.8 Ų40.837%0.36622%0.216SC..THydrogen-bonded Turntrans-87.910.9171.4-66.8171.5000112.8Y142 V146 A169 L170 A171 K175Y142-L173 HydrophobicContact CD2-CD2 4.5Å; V146-L173 HydrophobicContact CG2-CD1 4.14Å; A169-L173 WeakPolarHBondContact O-CG 3.45Å; A169-L173 PolarHBondContact O-N 3.32Å; A169-L173 VanDerWaalsContact O-N 3.11Å; L170-L173 CarbonylContact O-C 3.49Å; L170-L173 WeakPolarHBondContact O-CA 3.18Å; L170-L173 WeakPolarHBondContact O-CB 3.41Å; L170-L173 PolarHBondContact O-N 3Å; A171-L173 PolarHBondContact O-N 3.4Å; L173-K175 HydrophobicContact CB-CD 4.42Å; L173-K175 HydrophobicContact CB-CG 4.38Å; L173-K175 PolarHBondContact O-N 3.2Å
174N95.4Very high97.3Very high122 Ų12245.5 Ų45.565%0.65223%0.234SC*.THydrogen-bonded Turntrans60.618.2-174.9-54.2-62.7000114.7L170 A171 S172 H176L170-N174 PolarHBondContact O-N 3.47Å; A171-N174 PolarHBondContact O-N 2.92Å; A171-N174 VanDerWaalsContact O-N 3.08Å; S172-N174 VanDerWaalsContact C-N 3.27Å; N174-H176 VanDerWaalsContact C-N 3.27Å; N174-H176 PolarHBondContact O-N 3.34Å; N174-H176 VanDerWaalsContact O-N 3.16Å
175K95.8Very high97.3Very high98 Ų9848.9 Ų48.943%0.42625%0.247SC..  trans-89.560.6175.4-65.5177.4161.3-148.30110.6L170 L173 T177 E178 A179L170-K175 HydrophobicContact CB-CB 4.22Å; L170-K175 HydrophobicContact CD2-CB 4.23Å; L170-K175 HydrophobicContact CD2-CD 3.71Å; L170-K175 WeakPolarHBondContact O-CB 3.19Å; L170-K175 PolarHBondContact O-N 3.31Å; L173-K175 HydrophobicContact CB-CD 4.42Å; L173-K175 HydrophobicContact CB-CG 4.38Å; L173-K175 PolarHBondContact O-N 3.2Å; K175-T177 PolarHBondContact O-N 2.99Å; K175-E178 HydrophobicContact CB-CB 4.44Å; K175-E178 WeakPolarHBondContact CD-OE1 3.41Å; K175-E178 IonicContact NZ-OE1 3.57Å; K175-E178 PolarHBondContact O-N 3.35Å; K175-A179 WeakPolarHBondContact O-CB 3.27Å; K175-A179 PolarHBondContact O-N 3.18Å
176H96.1Very high97.3Very high18 Ų1845.7 Ų45.78%0.08324%0.235CC..Hα-helixtrans-64.4-39.7-169.5-59.6-52.4000113.5A171 N174 E178 A179 V180 K206 M207A171-H176 PolarHBondContact O-CE1 3.05Å; N174-H176 VanDerWaalsContact C-N 3.27Å; N174-H176 PolarHBondContact O-N 3.34Å; N174-H176 VanDerWaalsContact O-N 3.16Å; H176-E178 PolarHBondContact O-N 3Å; H176-A179 WeakPolarHBondContact O-CB 3.42Å; H176-A179 PolarHBondContact O-N 2.87Å; H176-V180 WeakPolarHBondContact O-CG2 3.38Å; H176-V180 PolarHBondContact O-N 3.35Å; H176-K206 WeakPolarHBondContact CE1-CD 3.29Å; H176-M207 HydrophobicContact CB-CG 3.49Å; H176-M207 VanDerWaalsContact CB-CG 3.49Å; H176-M207 HydrophobicContact CB-SD 4.32Å
177T95.4Very high97.3Very high103 Ų10346.8 Ų46.863%0.63224%0.241SC*.Hα-helixtrans-58.8-46.1176.7-490000112.3K175 G181 M207K175-T177 PolarHBondContact O-N 2.99Å; T177-G181 PolarHBondContact O-N 3.43Å; T177-M207 HydrophobicContact CG2-CE 4.01Å
178E96Very high97.3Very high93 Ų9352.3 Ų52.344%0.43527%0.267SS..Hα-helixtrans-66.6-43.5176.9-61.8178.3-111.900110.4L170 K175 H176 V180 G181 Y182L170-E178 HydrophobicContact CD1-CB 3.99Å; K175-E178 HydrophobicContact CB-CB 4.44Å; K175-E178 WeakPolarHBondContact CD-OE1 3.41Å; K175-E178 IonicContact NZ-OE1 3.57Å; K175-E178 PolarHBondContact O-N 3.35Å; H176-E178 PolarHBondContact O-N 3Å; E178-V180 VanDerWaalsContact C-N 3.34Å; E178-V180 PolarHBondContact O-N 3.44Å; E178-G181 WeakPolarHBondContact O-CA 3.11Å; E178-G181 PolarHBondContact O-N 3.49Å; E178-Y182 VanDerWaalsContact O-CD2 3.31Å; E178-Y182 WeakPolarHBondContact O-CD2 3.5Å; E178-Y182 PolarHBondContact O-N 3.15Å
179A97.8Very high97.3Very high0 Ų051.8 Ų51.80%026%0.264CS..Hα-helixtrans-56.3-44.2179.600000112.9G167 L170 A171 K175 H176 G181 Y182 Y183 A203G167-A179 VanDerWaalsContact O-CB 3.25Å; G167-A179 WeakPolarHBondContact O-CB 3.33Å; L170-A179 HydrophobicContact CB-CB 3.97Å; A171-A179 HydrophobicContact CB-CB 3.95Å; K175-A179 WeakPolarHBondContact O-CB 3.27Å; K175-A179 PolarHBondContact O-N 3.18Å; H176-A179 WeakPolarHBondContact O-CB 3.42Å; H176-A179 PolarHBondContact O-N 2.87Å; A179-G181 VanDerWaalsContact C-N 3.29Å; A179-G181 PolarHBondContact O-N 3.07Å; A179-Y182 PolarHBondContact O-N 3.35Å; A179-Y183 HydrophobicContact CB-CD2 4.43Å; A179-Y183 HydrophobicContact CB-CE2 4.21Å; A179-Y183 WeakPolarHBondContact O-CD2 3.43Å; A179-Y183 PolarHBondContact O-N 2.97Å; A179-A203 HydrophobicContact CB-CB 4.47Å
180V97.9Very high97.2Very high9 Ų954.2 Ų54.26%0.05528%0.277CS..Hα-helixtrans-59-41176.2171.30000111.3H176 E178 Y182 Y183 R184 M200 A203 E204 M207H176-V180 WeakPolarHBondContact O-CG2 3.38Å; H176-V180 PolarHBondContact O-N 3.35Å; E178-V180 VanDerWaalsContact C-N 3.34Å; E178-V180 PolarHBondContact O-N 3.44Å; V180-Y182 PolarHBondContact O-N 3.32Å; V180-Y183 PolarHBondContact O-N 3.14Å; V180-R184 WeakPolarHBondContact O-CB 3.17Å; V180-R184 PolarHBondContact O-N 3.39Å; V180-M200 HydrophobicContact CG1-CG 4.1Å; V180-M200 HydrophobicContact CG2-CG 4.49Å; V180-A203 HydrophobicContact CG2-CB 3.71Å; V180-E204 HydrophobicContact CG1-CG 4.12Å; V180-E204 HydrophobicContact CG2-CG 3.64Å; V180-M207 HydrophobicContact CB-SD 4.49Å; V180-M207 HydrophobicContact CG2-SD 3.78Å
181G97.6Very high97.2Very high32 Ų3257.6 Ų57.633%0.3330%0.299SS..Hα-helixtrans-58.3-45.5175.200000112.7T177 E178 A179 K185T177-G181 PolarHBondContact O-N 3.43Å; E178-G181 WeakPolarHBondContact O-CA 3.11Å; E178-G181 PolarHBondContact O-N 3.49Å; A179-G181 VanDerWaalsContact C-N 3.29Å; A179-G181 PolarHBondContact O-N 3.07Å; G181-K185 PolarHBondContact O-N 3.4Å; G181-K185 VanDerWaalsContact O-N 3.12Å
182Y98.3Very high97.1Very high71 Ų7163 Ų6328%0.27833%0.326SS..Hα-helixtrans-70.7-37.7178.1-76.5-80.7000113I153 Y163 M166 L170 E178 A179 V180 K185 A186I153-Y182 HydrophobicContact CD1-CD1 4.42Å; I153-Y182 HydrophobicContact CD1-CE1 4.2Å; Y163-Y182 AromaticContact CD1-CD1 3.79Å; Y163-Y182 HydrophobicContact CD1-CD1 3.79Å; Y163-Y182 HydrophobicContact CD1-CE1 4.38Å; Y163-Y182 HydrophobicContact CE1-CD1 4.37Å; M166-Y182 HydrophobicContact CB-CD1 3.94Å; M166-Y182 HydrophobicContact CB-CE1 4.47Å; M166-Y182 HydrophobicContact CB-CG 4.11Å; M166-Y182 HydrophobicContact CE-CE1 4.1Å; M166-Y182 HydrophobicContact CE-CE2 4.01Å; M166-Y182 HydrophobicContact CG-CD1 3.48Å; M166-Y182 VanDerWaalsContact CG-CD1 3.48Å; M166-Y182 HydrophobicContact CG-CD2 3.84Å; M166-Y182 HydrophobicContact CG-CE1 3.64Å; M166-Y182 HydrophobicContact CG-CE2 3.97Å; M166-Y182 HydrophobicContact CG-CG 3.61Å; L170-Y182 HydrophobicContact CD1-CD2 3.33Å; L170-Y182 HydrophobicContact CD1-CE2 3.54Å; L170-Y182 HydrophobicContact CD1-CG 4.29Å; E178-Y182 VanDerWaalsContact O-CD2 3.31Å; E178-Y182 WeakPolarHBondContact O-CD2 3.5Å; E178-Y182 PolarHBondContact O-N 3.15Å; A179-Y182 PolarHBondContact O-N 3.35Å; V180-Y182 PolarHBondContact O-N 3.32Å; Y182-K185 PolarHBondContact O-N 3.07Å; Y182-A186 PolarHBondContact O-N 3.48Å
183Y98.5Very high97.1Very high3 Ų362.6 Ų62.61%0.01232%0.32CS..Hα-helixtrans-65.4-39.9174.1-72.8-55.6000112.7G164 G167 L168 A179 V180 K185 A186 L187 N199 M200 A203G164-Y183 VanDerWaalsContact O-CE1 3.29Å; G164-Y183 WeakPolarHBondContact O-CE1 3.26Å; G167-Y183 VanDerWaalsContact C-OH 3.3Å; L168-Y183 WeakPolarHBondContact CA-OH 3.3Å; L168-Y183 WeakPolarHBondContact CB-OH 3.5Å; L168-Y183 PolarHBondContact N-OH 3.16Å; A179-Y183 HydrophobicContact CB-CD2 4.43Å; A179-Y183 HydrophobicContact CB-CE2 4.21Å; A179-Y183 WeakPolarHBondContact O-CD2 3.43Å; A179-Y183 PolarHBondContact O-N 2.97Å; V180-Y183 PolarHBondContact O-N 3.14Å; Y183-K185 VanDerWaalsContact C-N 3.3Å; Y183-K185 PolarHBondContact O-N 3.21Å; Y183-A186 WeakPolarHBondContact O-CB 3.46Å; Y183-A186 PolarHBondContact O-N 2.72Å; Y183-A186 VanDerWaalsContact O-N 3.17Å; Y183-L187 WeakPolarHBondContact O-CG 3.27Å; Y183-L187 PolarHBondContact O-N 3.48Å; Y183-N199 HydrophobicContact CD1-CB 4.37Å; Y183-N199 HydrophobicContact CE1-CB 3.69Å; Y183-N199 HydrophobicContact CE2-CB 3.95Å; Y183-N199 VanDerWaalsContact CZ-CB 3.42Å; Y183-N199 WeakPolarHBondContact OH-CB 3.48Å; Y183-M200 HydrophobicContact CD2-CB 4.25Å; Y183-M200 HydrophobicContact CG-CB 4.17Å; Y183-A203 HydrophobicContact CE2-CB 4.47Å
184R98.4Very high97.1Very high125 Ų12564.5 Ų64.547%0.47233%0.33SS..Hα-helixtrans-57.6-46.3172.9-174.1-178.2-59.4114.64.1110.6V180 A186 L187 E188 M200V180-R184 WeakPolarHBondContact O-CB 3.17Å; V180-R184 PolarHBondContact O-N 3.39Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 2.88Å; R184-L187 PolarHBondContact O-N 3.36Å; R184-L187 VanDerWaalsContact O-N 3.17Å; R184-E188 WeakPolarHBondContact O-CG 3.48Å; R184-E188 PolarHBondContact O-N 3.49Å; R184-M200 HydrophobicContact CB-SD 4.41Å
185K98Very high97.2Very high76 Ų7662.8 Ų62.833%0.3333%0.325SS..Hα-helixtrans-64.1-37.2177-170.455.4177.8-179.90112.7Y163 G181 Y182 Y183 L187 E188 L189Y163-K185 HydrophobicContact CD1-CB 3.75Å; Y163-K185 HydrophobicContact CD1-CG 3.48Å; Y163-K185 VanDerWaalsContact CD1-CG 3.48Å; Y163-K185 HydrophobicContact CE1-CB 4.13Å; Y163-K185 HydrophobicContact CE1-CG 3.41Å; Y163-K185 VanDerWaalsContact CE1-CG 3.41Å; Y163-K185 HydrophobicContact CE2-CG 4.42Å; Y163-K185 HydrophobicContact CG-CB 4.35Å; Y163-K185 HydrophobicContact CG-CG 4.07Å; G181-K185 PolarHBondContact O-N 3.4Å; G181-K185 VanDerWaalsContact O-N 3.12Å; Y182-K185 PolarHBondContact O-N 3.07Å; Y183-K185 VanDerWaalsContact C-N 3.3Å; Y183-K185 PolarHBondContact O-N 3.21Å; K185-L187 VanDerWaalsContact C-N 3.32Å; K185-L187 PolarHBondContact O-N 3.37Å; K185-E188 HydrophobicContact CD-CB 4.48Å; K185-E188 WeakPolarHBondContact CD-OE2 3.38Å; K185-E188 IonicContact NZ-OE2 3.64Å; K185-E188 PolarHBondContact NZ-OE2 3.4Å; K185-E188 PolarHBondContact O-N 3.16Å; K185-L189 WeakPolarHBondContact O-CG 3.49Å; K185-L189 PolarHBondContact O-N 3.04Å
186A98Very high97.3Very high0 Ų059.1 Ų59.10%031%0.308CS..Hα-helixtrans-62.3-40.3173.800000111.9Y182 Y183 R184 L189 D190 Y196Y182-A186 PolarHBondContact O-N 3.48Å; Y183-A186 WeakPolarHBondContact O-CB 3.46Å; Y183-A186 PolarHBondContact O-N 2.72Å; Y183-A186 VanDerWaalsContact O-N 3.17Å; R184-A186 VanDerWaalsContact C-N 3.32Å; R184-A186 PolarHBondContact O-N 2.88Å; A186-L189 PolarHBondContact O-N 2.89Å; A186-D190 PolarHBondContact O-N 3.25Å; A186-Y196 HydrophobicContact CB-CD2 3.56Å; A186-Y196 HydrophobicContact CB-CE2 3.75Å; A186-Y196 HydrophobicContact CB-CG 4.02Å
187L98.2Very high97.4Very high27 Ų2762.3 Ų62.314%0.14132%0.322CS..Hα-helixtrans-73.1-28.3176.9-74166.8000113.5Y183 R184 K185 L189 D190 P191 Y196 K197 M200Y183-L187 WeakPolarHBondContact O-CG 3.27Å; Y183-L187 PolarHBondContact O-N 3.48Å; R184-L187 PolarHBondContact O-N 3.36Å; R184-L187 VanDerWaalsContact O-N 3.17Å; K185-L187 VanDerWaalsContact C-N 3.32Å; K185-L187 PolarHBondContact O-N 3.37Å; L187-L189 PolarHBondContact O-N 3.1Å; L187-D190 CarbonylContact O-C 3.42Å; L187-P191 WeakPolarHBondContact O-CA 2.95Å; L187-P191 WeakPolarHBondContact O-CG 3.45Å; L187-P191 VanDerWaalsContact O-N 3.13Å; L187-Y196 HydrophobicContact CD2-CD2 4.42Å; L187-K197 HydrophobicContact CD1-CG 4.18Å; L187-K197 HydrophobicContact CD2-CG 3.61Å; L187-M200 HydrophobicContact CD1-CE 4.45Å; L187-M200 HydrophobicContact CD1-SD 3.93Å
188E98.1Very high97.5Very high116 Ų11661.1 Ų61.154%0.54231%0.314SS..Hα-helixtrans-62.7-35.1169.3-73.7171.5-159.500111.6R184 K185R184-E188 WeakPolarHBondContact O-CG 3.48Å; R184-E188 PolarHBondContact O-N 3.49Å; K185-E188 HydrophobicContact CD-CB 4.48Å; K185-E188 WeakPolarHBondContact CD-OE2 3.38Å; K185-E188 IonicContact NZ-OE2 3.64Å; K185-E188 PolarHBondContact NZ-OE2 3.4Å; K185-E188 PolarHBondContact O-N 3.16Å
189L96.9Very high97.6Very high58 Ų5858.6 Ų58.630%0.30430%0.304SS..Hα-helixtrans-86.5-30.1-179.8-64.5171.7000112.9Y163 K185 A186 L187Y163-L189 HydrophobicContact CD2-CD1 3.71Å; Y163-L189 HydrophobicContact CE2-CD1 3.77Å; K185-L189 WeakPolarHBondContact O-CG 3.49Å; K185-L189 PolarHBondContact O-N 3.04Å; A186-L189 PolarHBondContact O-N 2.89Å; L187-L189 PolarHBondContact O-N 3.1Å
190D97.1Very high97.5Very high50 Ų5060.4 Ų60.427%0.26731%0.313SS..  trans-142.279.9-178.9-1769.6000110.3A186 L187 D192 N193 Y196A186-D190 PolarHBondContact O-N 3.25Å; L187-D190 CarbonylContact O-C 3.42Å; D190-D192 VanDerWaalsContact C-N 3.27Å; D190-D192 PolarHBondContact O-N 3.25Å; D190-N193 HydrophobicContact CB-CB 4.4Å; D190-N193 WeakPolarHBondContact O-CB 3.29Å; D190-N193 PolarHBondContact O-N 3.13Å; D190-N193 WeakPolarHBondContact OD2-CB 3.37Å; D190-N193 PolarHBondContact OD2-ND2 3.2Å; D190-Y196 HydrophobicContact CB-CE2 4.23Å
191P96.8Very high97.5Very high76 Ų7665.8 Ų65.849%0.49434%0.336SS..THydrogen-bonded Turntrans-67.4-22.5-171.1-21.632.9000114.9L187 N193 K197L187-P191 WeakPolarHBondContact O-CA 2.95Å; L187-P191 WeakPolarHBondContact O-CG 3.45Å; L187-P191 VanDerWaalsContact O-N 3.13Å; P191-N193 VanDerWaalsContact C-N 3.31Å; P191-K197 WeakPolarHBondContact O-CE 3.45Å; P191-K197 PolarHBondContact O-NZ 3.49Å
192D96Very high97.4Very high132 Ų13268 Ų6871%0.70634%0.339SS*.THydrogen-bonded Turntrans-90.31.4-175.9-64.6-40000112.7D190 D194D190-D192 VanDerWaalsContact C-N 3.27Å; D190-D192 PolarHBondContact O-N 3.25Å; D192-D194 PolarHBondContact O-N 3.12Å
193N96.9Very high97.3Very high36 Ų3664.7 Ų64.719%0.19333%0.326CS..  trans-76.696.2-178.7-158.7-56.5000112.6D190 P191 T195 Y196 K197D190-N193 HydrophobicContact CB-CB 4.4Å; D190-N193 WeakPolarHBondContact O-CB 3.29Å; D190-N193 PolarHBondContact O-N 3.13Å; D190-N193 WeakPolarHBondContact OD2-CB 3.37Å; D190-N193 PolarHBondContact OD2-ND2 3.2Å; P191-N193 VanDerWaalsContact C-N 3.31Å; N193-T195 PolarHBondContact O-N 3.13Å; N193-T195 WeakPolarHBondContact OD1-CB 3.43Å; N193-T195 PolarHBondContact OD1-N 3.37Å; N193-Y196 HydrophobicContact CB-CD2 3.42Å; N193-Y196 VanDerWaalsContact CB-CD2 3.42Å; N193-Y196 HydrophobicContact CB-CE2 3.73Å; N193-Y196 HydrophobicContact CB-CG 3.94Å; N193-Y196 WeakPolarHBondContact ND2-CE2 3.28Å; N193-Y196 PolarHBondContact O-N 2.93Å; N193-Y196 VanDerWaalsContact O-N 3.12Å; N193-Y196 PolarHBondContact OD1-N 2.91Å; N193-K197 PolarHBondContact O-N 3.45Å
194D96.8Very high97.2Very high110 Ų11067.8 Ų67.859%0.58834%0.341SS*.Hα-helixtrans-60.1-31.3180-67.1-42.8000113.2D192 Y196 K197 T198D192-D194 PolarHBondContact O-N 3.12Å; D194-Y196 VanDerWaalsContact C-N 3.32Å; D194-Y196 PolarHBondContact O-N 3.08Å; D194-K197 PolarHBondContact O-N 3.06Å; D194-K197 IonicContact OD1-NZ 3.7Å; D194-T198 WeakPolarHBondContact O-CB 3.42Å; D194-T198 PolarHBondContact O-N 3.05Å; D194-T198 PolarHBondContact O-OG1 3.5Å; D194-T198 VanDerWaalsContact O-OG1 3.07Å
195T96.7Very high97Very high86 Ų8666.2 Ų66.253%0.52834%0.339SS..Hα-helixtrans-63-40.9177.6-59.60000111.2N193 N199N193-T195 PolarHBondContact O-N 3.13Å; N193-T195 WeakPolarHBondContact OD1-CB 3.43Å; N193-T195 PolarHBondContact OD1-N 3.37Å; T195-N199 VanDerWaalsContact O-CB 3.3Å; T195-N199 WeakPolarHBondContact O-CB 3.35Å; T195-N199 PolarHBondContact O-N 3.24Å; T195-N199 PolarHBondContact O-ND2 3.26Å
196Y97.6Very high96.7Very high20 Ų2067.2 Ų67.28%0.07834%0.343CS..Hα-helixtrans-67.7-40.5176.4-57.5-20.8000111.5K161 A186 L187 D190 N193 D194 N199 M200K161-Y196 VanDerWaalsContact CA-OH 3.31Å; K161-Y196 WeakPolarHBondContact CA-OH 3.37Å; A186-Y196 HydrophobicContact CB-CD2 3.56Å; A186-Y196 HydrophobicContact CB-CE2 3.75Å; A186-Y196 HydrophobicContact CB-CG 4.02Å; L187-Y196 HydrophobicContact CD2-CD2 4.42Å; D190-Y196 HydrophobicContact CB-CE2 4.23Å; N193-Y196 HydrophobicContact CB-CD2 3.42Å; N193-Y196 VanDerWaalsContact CB-CD2 3.42Å; N193-Y196 HydrophobicContact CB-CE2 3.73Å; N193-Y196 HydrophobicContact CB-CG 3.94Å; N193-Y196 WeakPolarHBondContact ND2-CE2 3.28Å; N193-Y196 PolarHBondContact O-N 2.93Å; N193-Y196 VanDerWaalsContact O-N 3.12Å; N193-Y196 PolarHBondContact OD1-N 2.91Å; D194-Y196 VanDerWaalsContact C-N 3.32Å; D194-Y196 PolarHBondContact O-N 3.08Å; Y196-N199 PolarHBondContact O-N 3.13Å; Y196-M200 VanDerWaalsContact O-CB 3.23Å; Y196-M200 WeakPolarHBondContact O-CB 3.45Å; Y196-M200 PolarHBondContact O-N 2.93Å
197K98Very high96.2Very high85 Ų8569.7 Ų69.737%0.3736%0.356SS..Hα-helixtrans-60-50.8176.1-62.1177.5-173.21570111.3L187 P191 N193 D194 M200 K201L187-K197 HydrophobicContact CD1-CG 4.18Å; L187-K197 HydrophobicContact CD2-CG 3.61Å; P191-K197 WeakPolarHBondContact O-CE 3.45Å; P191-K197 PolarHBondContact O-NZ 3.49Å; N193-K197 PolarHBondContact O-N 3.45Å; D194-K197 PolarHBondContact O-N 3.06Å; D194-K197 IonicContact OD1-NZ 3.7Å; K197-M200 PolarHBondContact O-N 3.44Å; K197-K201 WeakPolarHBondContact O-CB 3.35Å; K197-K201 PolarHBondContact O-N 3.29Å
198T98Very high95.4Very high78 Ų7875.7 Ų75.748%0.47938%0.383SS..Hα-helixtrans-61.6-46.9179.7-58.70000111.2D194 M200 K201 I202D194-T198 WeakPolarHBondContact O-CB 3.42Å; D194-T198 PolarHBondContact O-N 3.05Å; D194-T198 PolarHBondContact O-OG1 3.5Å; D194-T198 VanDerWaalsContact O-OG1 3.07Å; T198-M200 PolarHBondContact O-N 2.89Å; T198-K201 PolarHBondContact O-N 2.82Å; T198-I202 HydrophobicContact CG2-CD1 3.96Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 3.27Å
199N97.1Very high94.2Very high41 Ų4175.8 Ų75.822%0.21939%0.392CS..Hα-helixtrans-69.2-34.2-178.9-70.4-13.1000113.1Y183 T195 Y196 A203Y183-N199 HydrophobicContact CD1-CB 4.37Å; Y183-N199 HydrophobicContact CE1-CB 3.69Å; Y183-N199 HydrophobicContact CE2-CB 3.95Å; Y183-N199 VanDerWaalsContact CZ-CB 3.42Å; Y183-N199 WeakPolarHBondContact OH-CB 3.48Å; T195-N199 VanDerWaalsContact O-CB 3.3Å; T195-N199 WeakPolarHBondContact O-CB 3.35Å; T195-N199 PolarHBondContact O-N 3.24Å; T195-N199 PolarHBondContact O-ND2 3.26Å; Y196-N199 PolarHBondContact O-N 3.13Å; N199-A203 WeakPolarHBondContact O-CB 3.44Å; N199-A203 PolarHBondContact O-N 3.33Å
200M97.6Very high92.6Very high37 Ų3776.7 Ų76.718%0.18240%0.403CS..Hα-helixtrans-61.5-49172.6-168.1-18083.900110.4V180 Y183 R184 L187 Y196 K197 T198 I202 A203 E204V180-M200 HydrophobicContact CG1-CG 4.1Å; V180-M200 HydrophobicContact CG2-CG 4.49Å; Y183-M200 HydrophobicContact CD2-CB 4.25Å; Y183-M200 HydrophobicContact CG-CB 4.17Å; R184-M200 HydrophobicContact CB-SD 4.41Å; L187-M200 HydrophobicContact CD1-CE 4.45Å; L187-M200 HydrophobicContact CD1-SD 3.93Å; Y196-M200 VanDerWaalsContact O-CB 3.23Å; Y196-M200 WeakPolarHBondContact O-CB 3.45Å; Y196-M200 PolarHBondContact O-N 2.93Å; K197-M200 PolarHBondContact O-N 3.44Å; T198-M200 PolarHBondContact O-N 2.89Å; M200-I202 VanDerWaalsContact C-N 3.34Å; M200-I202 PolarHBondContact O-N 2.96Å; M200-A203 WeakPolarHBondContact O-CA 3.35Å; M200-A203 WeakPolarHBondContact O-CB 3.41Å; M200-A203 PolarHBondContact O-N 3.41Å; M200-E204 WeakPolarHBondContact O-CG 3.48Å; M200-E204 PolarHBondContact O-N 3.42Å
201K97Very high90.3Very high123 Ų12378.2 Ų78.254%0.53542%0.417SS..Hα-helixtrans-59.2-44.1178.6-169.3-173.5-179.5-160.40112K197 T198 A203 E204 E205K197-K201 WeakPolarHBondContact O-CB 3.35Å; K197-K201 PolarHBondContact O-N 3.29Å; T198-K201 PolarHBondContact O-N 2.82Å; K201-A203 VanDerWaalsContact C-N 3.28Å; K201-A203 PolarHBondContact O-N 3.23Å; K201-E204 PolarHBondContact O-N 3.21Å; K201-E205 WeakPolarHBondContact CE-OE1 3.29Å; K201-E205 IonicContact NZ-OE1 2.72Å; K201-E205 WeakPolarHBondContact O-CG 3.36Å; K201-E205 PolarHBondContact O-N 2.96Å
202I96.1Very high88Confident77 Ų7780.1 Ų80.140%0.39543%0.429SS..Hα-helixtrans-60.6-40.3175.5-68.6166.3000110.9T198 M200 K206T198-I202 HydrophobicContact CG2-CD1 3.96Å; T198-I202 WeakPolarHBondContact O-CG1 3.49Å; T198-I202 PolarHBondContact O-N 3.27Å; M200-I202 VanDerWaalsContact C-N 3.34Å; M200-I202 PolarHBondContact O-N 2.96Å; I202-K206 WeakPolarHBondContact O-CG 3.32Å; I202-K206 PolarHBondContact O-N 2.97Å; I202-K206 VanDerWaalsContact O-N 3.15Å
203A95.8Very high85.8Confident2 Ų277.9 Ų77.92%0.01742%0.424CS..Hα-helixtrans-66.9-39.6177.100000111.8A179 V180 Y183 N199 M200 K201 K206 M207A179-A203 HydrophobicContact CB-CB 4.47Å; V180-A203 HydrophobicContact CG2-CB 3.71Å; Y183-A203 HydrophobicContact CE2-CB 4.47Å; N199-A203 WeakPolarHBondContact O-CB 3.44Å; N199-A203 PolarHBondContact O-N 3.33Å; M200-A203 WeakPolarHBondContact O-CA 3.35Å; M200-A203 WeakPolarHBondContact O-CB 3.41Å; M200-A203 PolarHBondContact O-N 3.41Å; K201-A203 VanDerWaalsContact C-N 3.28Å; K201-A203 PolarHBondContact O-N 3.23Å; A203-K206 PolarHBondContact O-N 3.02Å; A203-M207 WeakPolarHBondContact O-CG 3.13Å; A203-M207 PolarHBondContact O-N 2.85Å; A203-M207 VanDerWaalsContact O-N 3.12Å
204E95.3Very high83.4Confident69 Ų6981.5 Ų81.532%0.32246%0.459SS..Hα-helixtrans-63-47.6175.4-69.7171.9161.200111.9V180 M200 K201 K206 M207 E208V180-E204 HydrophobicContact CG1-CG 4.12Å; V180-E204 HydrophobicContact CG2-CG 3.64Å; M200-E204 WeakPolarHBondContact O-CG 3.48Å; M200-E204 PolarHBondContact O-N 3.42Å; K201-E204 PolarHBondContact O-N 3.21Å; E204-K206 PolarHBondContact O-N 3.04Å; E204-M207 WeakPolarHBondContact O-CA 3.28Å; E204-M207 WeakPolarHBondContact O-CB 3.25Å; E204-M207 PolarHBondContact O-N 3.16Å; E204-E208 PolarHBondContact O-N 3.34Å; E204-E208 VanDerWaalsContact O-N 3.15Å
205E94.6Very high80.9Confident91 Ų9178.6 Ų78.643%0.42546%0.456SS..Hα-helixtrans-58.8-37.4176.3-71.1171.7-173.900111.8K201 M207 E208 T209K201-E205 WeakPolarHBondContact CE-OE1 3.29Å; K201-E205 IonicContact NZ-OE1 2.72Å; K201-E205 WeakPolarHBondContact O-CG 3.36Å; K201-E205 PolarHBondContact O-N 2.96Å; E205-M207 VanDerWaalsContact C-N 3.32Å; E205-M207 PolarHBondContact O-N 3.18Å; E205-E208 PolarHBondContact O-N 3.32Å; E205-T209 WeakPolarHBondContact O-CG2 3.03Å; E205-T209 PolarHBondContact O-N 3.22Å; E205-T209 VanDerWaalsContact O-N 3.1Å; E205-T209 PolarHBondContact O-OG1 3.39Å
206K92.1Very high78.5Confident98 Ų9883.8 Ų83.843%0.42648%0.479SS..Hα-helixtrans-69-28.1174.9-74.2-172.7176.7-163.50113.3H176 I202 A203 E204 T209 S210H176-K206 WeakPolarHBondContact CE1-CD 3.29Å; I202-K206 WeakPolarHBondContact O-CG 3.32Å; I202-K206 PolarHBondContact O-N 2.97Å; I202-K206 VanDerWaalsContact O-N 3.15Å; A203-K206 PolarHBondContact O-N 3.02Å; E204-K206 PolarHBondContact O-N 3.04Å; K206-T209 WeakPolarHBondContact CA-OG1 3.37Å; K206-T209 PolarHBondContact O-OG1 3.23Å; K206-S210 VanDerWaalsContact O-CB 3.26Å; K206-S210 WeakPolarHBondContact O-CB 3.4Å; K206-S210 PolarHBondContact O-N 2.88Å; K206-S210 VanDerWaalsContact O-N 3.14Å; K206-S210 PolarHBondContact O-OG 2.65Å; K206-S210 VanDerWaalsContact O-OG 3.07Å
207M88.6Confident76.1Confident52 Ų5286.6 Ų86.626%0.25651%0.514SS..Hα-helixtrans-69.5-42.8173.3-67.5168.357.800111.4H176 T177 V180 A203 E204 E205 S210 S211H176-M207 HydrophobicContact CB-CG 3.49Å; H176-M207 VanDerWaalsContact CB-CG 3.49Å; H176-M207 HydrophobicContact CB-SD 4.32Å; T177-M207 HydrophobicContact CG2-CE 4.01Å; V180-M207 HydrophobicContact CB-SD 4.49Å; V180-M207 HydrophobicContact CG2-SD 3.78Å; A203-M207 WeakPolarHBondContact O-CG 3.13Å; A203-M207 PolarHBondContact O-N 2.85Å; A203-M207 VanDerWaalsContact O-N 3.12Å; E204-M207 WeakPolarHBondContact O-CA 3.28Å; E204-M207 WeakPolarHBondContact O-CB 3.25Å; E204-M207 PolarHBondContact O-N 3.16Å; E205-M207 VanDerWaalsContact C-N 3.32Å; E205-M207 PolarHBondContact O-N 3.18Å; M207-S210 WeakPolarHBondContact CA-OG 3.35Å; M207-S210 PolarHBondContact O-N 3.48Å; M207-S210 PolarHBondContact O-OG 3.14Å; M207-S211 PolarHBondContact O-N 3.3Å; M207-S211 PolarHBondContact O-OG 2.82Å; M207-S211 VanDerWaalsContact O-OG 3.07Å
208E80.1Confident73.7Confident152 Ų15284.8 Ų84.871%0.7152%0.519SS*.Hα-helixtrans-64.4-42.2179.1-66.3-177.6168.700111.8E204 E205 S210 S211E204-E208 PolarHBondContact O-N 3.34Å; E204-E208 VanDerWaalsContact O-N 3.15Å; E205-E208 PolarHBondContact O-N 3.32Å; E208-S210 VanDerWaalsContact C-N 3.34Å; E208-S210 PolarHBondContact O-N 2.85Å; E208-S211 PolarHBondContact O-N 3.42Å
209T74.3Confident71.9Confident119 Ų11987.1 Ų87.173%0.7353%0.528SS*.Hα-helixtrans-72.8-25.1177.852.70000113.6E205 K206 S211E205-T209 WeakPolarHBondContact O-CG2 3.03Å; E205-T209 PolarHBondContact O-N 3.22Å; E205-T209 VanDerWaalsContact O-N 3.1Å; E205-T209 PolarHBondContact O-OG1 3.39Å; K206-T209 WeakPolarHBondContact CA-OG1 3.37Å; K206-T209 PolarHBondContact O-OG1 3.23Å; T209-S211 VanDerWaalsContact C-N 3.32Å
210S61.8Low70.1Confident77 Ų7790.2 Ų90.254%0.53854%0.544SS..THydrogen-bonded Turntrans-82.2-5.4175.969.40000114.5K206 M207 E208 P212K206-S210 VanDerWaalsContact O-CB 3.26Å; K206-S210 WeakPolarHBondContact O-CB 3.4Å; K206-S210 PolarHBondContact O-N 2.88Å; K206-S210 VanDerWaalsContact O-N 3.14Å; K206-S210 PolarHBondContact O-OG 2.65Å; K206-S210 VanDerWaalsContact O-OG 3.07Å; M207-S210 WeakPolarHBondContact CA-OG 3.35Å; M207-S210 PolarHBondContact O-N 3.48Å; M207-S210 PolarHBondContact O-OG 3.14Å; E208-S210 VanDerWaalsContact C-N 3.34Å; E208-S210 PolarHBondContact O-N 2.85Å; S210-P212 WeakPolarHBondContact O-CD 3.41Å
211S50.3Low68.3Low82 Ų8293.6 Ų93.657%0.57356%0.563SS**  trans-108.690-179.5-60.20000111.7M207 E208 T209 S213M207-S211 PolarHBondContact O-N 3.3Å; M207-S211 PolarHBondContact O-OG 2.82Å; M207-S211 VanDerWaalsContact O-OG 3.07Å; E208-S211 PolarHBondContact O-N 3.42Å; T209-S211 VanDerWaalsContact C-N 3.32Å; S211-S213 VanDerWaalsContact C-N 3.34Å; S211-S213 PolarHBondContact O-N 3.19Å
212P48.1Very low66.3Low115 Ų11591 Ų9175%0.74756%0.563SS**  trans-74.893.9157.929.5-27.3000107.6S210 A214S210-P212 WeakPolarHBondContact O-CD 3.41Å; P212-A214 PolarHBondContact O-N 3.17Å
213S49.1Very low64.7Low85 Ų8588.8 Ų88.859%0.59456%0.56SS**  trans23.666.5158.6-166.80000115.4S211 G215S211-S213 VanDerWaalsContact C-N 3.34Å; S211-S213 PolarHBondContact O-N 3.19Å; S213-G215 VanDerWaalsContact C-N 3.31Å; S213-G215 PolarHBondContact O-N 3.27Å
214A47.6Very low63.2Low112 Ų11291.1 Ų91.193%0.92657%0.572SS**  trans-91.974.1164.600000107.6P212P212-A214 PolarHBondContact O-N 3.17Å
215G42.8Very low61.8Low50 Ų5092.5 Ų92.552%0.51558%0.581SS.*SBendtrans-167105175.800000109.5S213 G217S213-G215 VanDerWaalsContact C-N 3.31Å; S213-G215 PolarHBondContact O-N 3.27Å; G215-G217 PolarHBondContact O-N 3.04Å
216L47.5Very low60.6Low194 Ų19492.5 Ų92.5100%1.01659%0.591SS**THydrogen-bonded Turntrans-43.2112179-81.8153000112
217G46.4Very low59.5Low80 Ų8091.7 Ų91.783%0.82559%0.592SS**THydrogen-bonded Turntrans135.2-13171.200000115.8G215 I219G215-G217 PolarHBondContact O-N 3.04Å; G217-I219 PolarHBondContact O-N 2.93Å
218G47.7Very low58.7Low46 Ų4693.8 Ų93.847%0.47461%0.609SS.*  trans-94.671.7176.800000112.5D220G218-D220 PolarHBondContact O-N 3.08Å; G218-D220 VanDerWaalsContact O-N 3.13Å
219I59.5Low58.4Low127 Ų12788.6 Ų88.665%0.65160%0.597SS**  trans-58.6114.7152.8-66.6179.2000104.9G217 L221 L224G217-I219 PolarHBondContact O-N 2.93Å; I219-L221 PolarHBondContact O-N 2.89Å; I219-L224 HydrophobicContact CG2-CD1 3.09Å
220D60.9Low58.6Low107 Ų10786.7 Ų86.757%0.57258%0.578SS**  trans-66.184.8171.5179.99.7000107.9G218 A222 G223 L224G218-D220 PolarHBondContact O-N 3.08Å; G218-D220 VanDerWaalsContact O-N 3.13Å; D220-A222 PolarHBondContact O-N 3.03Å; D220-A222 WeakPolarHBondContact OD1-CB 3.43Å; D220-A222 PolarHBondContact OD1-N 3.37Å; D220-A222 VanDerWaalsContact OD1-N 3.16Å; D220-G223 VanDerWaalsContact CG-N 3.29Å; D220-G223 PolarHBondContact O-N 3.21Å; D220-G223 VanDerWaalsContact O-N 3.1Å; D220-G223 PolarHBondContact OD1-N 3.2Å; D220-G223 PolarHBondContact OD2-N 2.91Å; D220-L224 PolarHBondContact O-N 3.12Å
221L57.9Low59.3Low108 Ų10888 Ų8857%0.56558%0.578SS**Hα-helixtrans-60.7-29.7-179.2-17562.4000109.7I219 L224 L225I219-L221 PolarHBondContact O-N 2.89Å; L221-L224 PolarHBondContact O-N 3.01Å; L221-L225 HydrophobicContact CD1-CD1 4.27Å; L221-L225 HydrophobicContact CD1-CG 4.11Å; L221-L225 HydrophobicContact CD2-CD1 4.46Å; L221-L225 HydrophobicContact CG-CD1 3.84Å; L221-L225 HydrophobicContact CG-CG 4.16Å; L221-L225 VanDerWaalsContact O-CB 3.23Å; L221-L225 WeakPolarHBondContact O-CB 3.48Å; L221-L225 WeakPolarHBondContact O-CD1 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 3.29Å
222A56.4Low60.5Low67 Ų6789.3 Ų89.355%0.55458%0.578SS**Hα-helixtrans-68-43.7175.300000111.2D220 S226D220-A222 PolarHBondContact O-N 3.03Å; D220-A222 WeakPolarHBondContact OD1-CB 3.43Å; D220-A222 PolarHBondContact OD1-N 3.37Å; D220-A222 VanDerWaalsContact OD1-N 3.16Å; A222-S226 PolarHBondContact O-N 3.39Å; A222-S226 VanDerWaalsContact O-N 3.15Å; A222-S226 PolarHBondContact O-OG 3.42Å
223G62.2Low61.8Low32 Ų3289.7 Ų89.733%0.3357%0.571SS.*Hα-helixtrans-66.6-33.3173.800000114.3D220 S226 N227D220-G223 VanDerWaalsContact CG-N 3.29Å; D220-G223 PolarHBondContact O-N 3.21Å; D220-G223 VanDerWaalsContact O-N 3.1Å; D220-G223 PolarHBondContact OD1-N 3.2Å; D220-G223 PolarHBondContact OD2-N 2.91Å; G223-S226 WeakPolarHBondContact CA-OG 3.44Å; G223-S226 PolarHBondContact O-OG 2.92Å; G223-N227 PolarHBondContact O-N 3.28Å
224L64.6Low63Low51 Ų5186.8 Ų86.827%0.26755%0.553SS.*Hα-helixtrans-75.9-37.8175.7-94.5147.6000113.3I219 D220 L221 S226 N227 F230I219-L224 HydrophobicContact CG2-CD1 3.09Å; D220-L224 PolarHBondContact O-N 3.12Å; L221-L224 PolarHBondContact O-N 3.01Å; L224-S226 VanDerWaalsContact C-N 3.3Å; L224-S226 PolarHBondContact O-N 2.95Å; L224-N227 PolarHBondContact O-N 2.9Å; L224-F230 HydrophobicContact CB-CD1 4.12Å; L224-F230 HydrophobicContact CB-CE1 4.23Å; L224-F230 HydrophobicContact CD2-CB 4Å; L224-F230 HydrophobicContact CD2-CD1 3.71Å; L224-F230 HydrophobicContact CD2-CD2 3.29Å; L224-F230 HydrophobicContact CD2-CE1 3.93Å; L224-F230 HydrophobicContact CD2-CE2 3.55Å; L224-F230 HydrophobicContact CD2-CG 3.37Å; L224-F230 HydrophobicContact CD2-CZ 3.86Å; L224-F230 WeakPolarHBondContact O-CD1 3.45Å
225L65.1Low64.2Low97 Ų9784.3 Ų84.351%0.50853%0.528SS..Hα-helixtrans-70.4-27.5176.5-73.3171.9000112.7L221 N227 M231L221-L225 HydrophobicContact CD1-CD1 4.27Å; L221-L225 HydrophobicContact CD1-CG 4.11Å; L221-L225 HydrophobicContact CD2-CD1 4.46Å; L221-L225 HydrophobicContact CG-CD1 3.84Å; L221-L225 HydrophobicContact CG-CG 4.16Å; L221-L225 VanDerWaalsContact O-CB 3.23Å; L221-L225 WeakPolarHBondContact O-CB 3.48Å; L221-L225 WeakPolarHBondContact O-CD1 3.39Å; L221-L225 WeakPolarHBondContact O-CG 3.49Å; L221-L225 PolarHBondContact O-N 3.29Å; L225-N227 VanDerWaalsContact C-N 3.32Å; L225-M231 HydrophobicContact CD2-SD 4.33Å
226S70.2Confident66Low91 Ų9186.8 Ų86.864%0.63653%0.534SS*.THydrogen-bonded Turntrans-85.7-3.9174.845.70000113.3A222 G223 L224 P228A222-S226 PolarHBondContact O-N 3.39Å; A222-S226 VanDerWaalsContact O-N 3.15Å; A222-S226 PolarHBondContact O-OG 3.42Å; G223-S226 WeakPolarHBondContact CA-OG 3.44Å; G223-S226 PolarHBondContact O-OG 2.92Å; L224-S226 VanDerWaalsContact C-N 3.3Å; L224-S226 PolarHBondContact O-N 2.95Å; S226-P228 VanDerWaalsContact O-CD 3.3Å; S226-P228 WeakPolarHBondContact O-CD 3.23Å
227N68.9Low67.2Low81 Ų8182 Ų8243%0.43351%0.508SS..  trans-86.1111.2173.9-173.1-8.6000111.3G223 L224 L225 G229 F230 M231G223-N227 PolarHBondContact O-N 3.28Å; L224-N227 PolarHBondContact O-N 2.9Å; L225-N227 VanDerWaalsContact C-N 3.32Å; N227-G229 PolarHBondContact O-N 3.37Å; N227-G229 PolarHBondContact OD1-N 3.29Å; N227-G229 VanDerWaalsContact OD1-N 3.12Å; N227-F230 HydrophobicContact CB-CB 4.09Å; N227-F230 PolarHBondContact O-N 3.46Å; N227-F230 VanDerWaalsContact O-N 3.14Å; N227-M231 PolarHBondContact O-N 2.9Å; N227-M231 VanDerWaalsContact O-N 3.13Å
228P70.5Confident68.6Low96 Ų9684.6 Ų84.662%0.62350%0.501SS*.Hα-helixtrans-62-30.3-177.7-20.232.5000113.3S226 N232S226-P228 VanDerWaalsContact O-CD 3.3Å; S226-P228 WeakPolarHBondContact O-CD 3.23Å; P228-N232 PolarHBondContact O-N 3.18Å; P228-N232 VanDerWaalsContact O-N 3.13Å; P228-N232 PolarHBondContact O-ND2 3.18Å; P228-N232 VanDerWaalsContact O-ND2 3.12Å
229G74.9Confident70.1Confident44 Ų4487.9 Ų87.945%0.45451%0.507SS..Hα-helixtrans-69-39178.100000112.3N227 M233N227-G229 PolarHBondContact O-N 3.37Å; N227-G229 PolarHBondContact OD1-N 3.29Å; N227-G229 VanDerWaalsContact OD1-N 3.12Å; G229-M233 WeakPolarHBondContact O-CB 3.37Å; G229-M233 PolarHBondContact O-N 3.05Å
230F78.7Confident71.2Confident78 Ų7884.4 Ų84.434%0.34249%0.49SS..Hα-helixtrans-69-42.4176.1-177.6-103.4000111.5L224 N227 N232 M233 A234L224-F230 HydrophobicContact CB-CD1 4.12Å; L224-F230 HydrophobicContact CB-CE1 4.23Å; L224-F230 HydrophobicContact CD2-CB 4Å; L224-F230 HydrophobicContact CD2-CD1 3.71Å; L224-F230 HydrophobicContact CD2-CD2 3.29Å; L224-F230 HydrophobicContact CD2-CE1 3.93Å; L224-F230 HydrophobicContact CD2-CE2 3.55Å; L224-F230 HydrophobicContact CD2-CG 3.37Å; L224-F230 HydrophobicContact CD2-CZ 3.86Å; L224-F230 WeakPolarHBondContact O-CD1 3.45Å; N227-F230 HydrophobicContact CB-CB 4.09Å; N227-F230 PolarHBondContact O-N 3.46Å; N227-F230 VanDerWaalsContact O-N 3.14Å; F230-N232 VanDerWaalsContact C-N 3.31Å; F230-N232 PolarHBondContact O-N 3.12Å; F230-M233 PolarHBondContact O-N 3.15Å; F230-A234 WeakPolarHBondContact O-CB 3.09Å; F230-A234 PolarHBondContact O-N 3.39Å
231M75.2Confident72Confident106 Ų10683.1 Ų83.152%0.52249%0.488SS..Hα-helixtrans-62.4-37.9178.2-153.369.1-176.500112.3L225 N227 S235L225-M231 HydrophobicContact CD2-SD 4.33Å; N227-M231 PolarHBondContact O-N 2.9Å; N227-M231 VanDerWaalsContact O-N 3.13Å; M231-S235 VanDerWaalsContact O-CB 3.3Å; M231-S235 WeakPolarHBondContact O-CB 3.49Å; M231-S235 PolarHBondContact O-N 3.02Å
232N76.8Confident72.7Confident109 Ų10984.7 Ų84.758%0.58349%0.492SS*.Hα-helixtrans-67.8-40.9173.8-78.6-37.2000112.7P228 F230 S235 T236P228-N232 PolarHBondContact O-N 3.18Å; P228-N232 VanDerWaalsContact O-N 3.13Å; P228-N232 PolarHBondContact O-ND2 3.18Å; P228-N232 VanDerWaalsContact O-ND2 3.12Å; F230-N232 VanDerWaalsContact C-N 3.31Å; F230-N232 PolarHBondContact O-N 3.12Å; N232-S235 PolarHBondContact O-N 3.28Å; N232-T236 WeakPolarHBondContact O-CB 3.38Å; N232-T236 PolarHBondContact O-N 3.39Å; N232-T236 PolarHBondContact O-OG1 3.15Å
233M75.1Confident73.8Confident122 Ų12284 Ų8460%0.60148%0.481SS*.Hα-helixtrans-65.4-43.6175.9-176.5177.5-81.600111.5G229 F230 T236 L237G229-M233 WeakPolarHBondContact O-CB 3.37Å; G229-M233 PolarHBondContact O-N 3.05Å; F230-M233 PolarHBondContact O-N 3.15Å; M233-T236 PolarHBondContact O-N 3.21Å; M233-L237 HydrophobicContact CG-CD1 4.26Å; M233-L237 WeakPolarHBondContact O-CG 3.4Å; M233-L237 PolarHBondContact O-N 2.9Å
234A74.9Confident74.2Confident25 Ų2587.6 Ų87.621%0.20749%0.489CS..Hα-helixtrans-63.5-41175.800000112F230 L237 M238F230-A234 WeakPolarHBondContact O-CB 3.09Å; F230-A234 PolarHBondContact O-N 3.39Å; A234-L237 PolarHBondContact O-N 3.35Å; A234-M238 WeakPolarHBondContact O-CB 3.27Å; A234-M238 WeakPolarHBondContact O-CG 3.32Å; A234-M238 PolarHBondContact O-N 3.12Å
235S72.7Confident74.6Confident60 Ų6091.9 Ų91.942%0.4251%0.508SS..Hα-helixtrans-63.5-39.3174.1-177.60000112.5M231 N232 M238 N239M231-S235 VanDerWaalsContact O-CB 3.3Å; M231-S235 WeakPolarHBondContact O-CB 3.49Å; M231-S235 PolarHBondContact O-N 3.02Å; N232-S235 PolarHBondContact O-N 3.28Å; S235-M238 PolarHBondContact O-N 3.28Å; S235-N239 WeakPolarHBondContact O-CB 3.44Å; S235-N239 PolarHBondContact O-N 3.1Å; S235-N239 PolarHBondContact O-ND2 3.03Å; S235-N239 VanDerWaalsContact O-ND2 3.08Å
236T79.6Confident74.9Confident102 Ų10293.6 Ų93.663%0.62652%0.517SS*.Hα-helixtrans-66.7-40177.3-54.10000111.3N232 M233 N240N232-T236 WeakPolarHBondContact O-CB 3.38Å; N232-T236 PolarHBondContact O-N 3.39Å; N232-T236 PolarHBondContact O-OG1 3.15Å; M233-T236 PolarHBondContact O-N 3.21Å; T236-N240 PolarHBondContact O-N 2.65Å
237L73.4Confident74.6Confident92 Ų9295.1 Ų95.148%0.48252%0.515SS..Hα-helixtrans-69.7-40.4176.5-76.7167000112.3M233 A234 N239 N240 V243M233-L237 HydrophobicContact CG-CD1 4.26Å; M233-L237 WeakPolarHBondContact O-CG 3.4Å; M233-L237 PolarHBondContact O-N 2.9Å; A234-L237 PolarHBondContact O-N 3.35Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 2.94Å; L237-N240 WeakPolarHBondContact O-CB 3.33Å; L237-N240 PolarHBondContact O-N 2.89Å; L237-N240 VanDerWaalsContact O-N 3.17Å; L237-V243 HydrophobicContact CD2-CG2 4.43Å; L237-V243 WeakPolarHBondContact O-CB 3.49Å
238M75.4Confident74.3Confident136 Ų13695 Ų9567%0.6752%0.521SS*.Hα-helixtrans-69.4-26.7176.8-76.2-170.3-163.300113.5A234 S235 N240 Q244A234-M238 WeakPolarHBondContact O-CB 3.27Å; A234-M238 WeakPolarHBondContact O-CG 3.32Å; A234-M238 PolarHBondContact O-N 3.12Å; S235-M238 PolarHBondContact O-N 3.28Å; M238-N240 VanDerWaalsContact C-N 3.28Å; M238-Q244 WeakPolarHBondContact O-CG 3.4Å; M238-Q244 PolarHBondContact O-NE2 3.44Å
239N78.8Confident73.9Confident114 Ų11492.4 Ų92.461%0.6151%0.511SS*.THydrogen-bonded Turntrans-83.7-0.8173.6-79.4-48.6000113.3S235 L237 P241S235-N239 WeakPolarHBondContact O-CB 3.44Å; S235-N239 PolarHBondContact O-N 3.1Å; S235-N239 PolarHBondContact O-ND2 3.03Å; S235-N239 VanDerWaalsContact O-ND2 3.08Å; L237-N239 VanDerWaalsContact C-N 3.31Å; L237-N239 PolarHBondContact O-N 2.94Å; N239-P241 WeakPolarHBondContact O-CD 3.37Å
240N82.4Confident73.1Confident55 Ų5598 Ų9829%0.29453%0.528SS..  trans-82.9118.4176.1-169.5-33.3000110.4T236 L237 M238 Q242 V243 Q244T236-N240 PolarHBondContact O-N 2.65Å; L237-N240 WeakPolarHBondContact O-CB 3.33Å; L237-N240 PolarHBondContact O-N 2.89Å; L237-N240 VanDerWaalsContact O-N 3.17Å; M238-N240 VanDerWaalsContact C-N 3.28Å; N240-Q242 PolarHBondContact O-N 3.39Å; N240-Q242 VanDerWaalsContact O-N 3.13Å; N240-Q242 WeakPolarHBondContact OD1-CB 3.49Å; N240-Q242 PolarHBondContact OD1-N 3.34Å; N240-V243 HydrophobicContact CB-CB 4.34Å; N240-V243 HydrophobicContact CB-CG2 3.96Å; N240-V243 PolarHBondContact O-N 2.71Å; N240-Q244 PolarHBondContact O-N 3.48Å; N240-Q244 VanDerWaalsContact O-N 3.13Å
241P77.3Confident72.1Confident79 Ų79101 Ų10151%0.51354%0.544SS..Hα-helixtrans-61.5-24.4-177.221.6-31.2000113.6N239 Q245N239-P241 WeakPolarHBondContact O-CD 3.37Å; P241-Q245 VanDerWaalsContact O-CG 3.29Å; P241-Q245 WeakPolarHBondContact O-CG 3.41Å; P241-Q245 PolarHBondContact O-N 3.45Å
242Q74Confident71.2Confident141 Ų14199.9 Ų99.966%0.65955%0.547SS*.Hα-helixtrans-72.1-35.7176.1-63.7169.6-400111.9N240 Q245 L246N240-Q242 PolarHBondContact O-N 3.39Å; N240-Q242 VanDerWaalsContact O-N 3.13Å; N240-Q242 WeakPolarHBondContact OD1-CB 3.49Å; N240-Q242 PolarHBondContact OD1-N 3.34Å; Q242-Q245 PolarHBondContact O-N 3.05Å; Q242-L246 WeakPolarHBondContact O-CB 3.25Å; Q242-L246 PolarHBondContact O-N 2.96Å
243V78.8Confident70Confident53 Ų5397.9 Ų97.932%0.32155%0.552SS.*Hα-helixtrans-73.6-36.8176.7-179.70000110.3L237 N240 Q245 L246 M247L237-V243 HydrophobicContact CD2-CG2 4.43Å; L237-V243 WeakPolarHBondContact O-CB 3.49Å; N240-V243 HydrophobicContact CB-CB 4.34Å; N240-V243 HydrophobicContact CB-CG2 3.96Å; N240-V243 PolarHBondContact O-N 2.71Å; V243-Q245 VanDerWaalsContact C-N 3.34Å; V243-Q245 PolarHBondContact O-N 2.88Å; V243-L246 PolarHBondContact O-N 2.89Å; V243-M247 WeakPolarHBondContact O-CB 3.46Å; V243-M247 PolarHBondContact O-N 3.3Å
244Q71.7Confident68.9Low108 Ų10895.9 Ų95.951%0.50556%0.555SS.*Hα-helixtrans-63.4-39172.7-67.6-179.9-1.900112.2M238 N240 S248M238-Q244 WeakPolarHBondContact O-CG 3.4Å; M238-Q244 PolarHBondContact O-NE2 3.44Å; N240-Q244 PolarHBondContact O-N 3.48Å; N240-Q244 VanDerWaalsContact O-N 3.13Å; Q244-S248 VanDerWaalsContact O-CB 3.3Å; Q244-S248 WeakPolarHBondContact O-CB 3.47Å; Q244-S248 PolarHBondContact O-N 3.33Å
245Q72.5Confident67.6Low140 Ų140105 Ų10565%0.65459%0.586SS**Hα-helixtrans-67.2-40.8174.4-76.7172.3-4.600112.4P241 Q242 V243 S248 G249P241-Q245 VanDerWaalsContact O-CG 3.29Å; P241-Q245 WeakPolarHBondContact O-CG 3.41Å; P241-Q245 PolarHBondContact O-N 3.45Å; Q242-Q245 PolarHBondContact O-N 3.05Å; V243-Q245 VanDerWaalsContact C-N 3.34Å; V243-Q245 PolarHBondContact O-N 2.88Å; Q245-S248 PolarHBondContact O-N 2.65Å; Q245-G249 PolarHBondContact O-N 2.85Å
246L72Confident66.4Low133 Ų133105.3 Ų105.370%0.69660%0.599SS**Hα-helixtrans-62.7-43.2175.8-17568.2000111.6Q242 V243 G249 M250Q242-L246 WeakPolarHBondContact O-CB 3.25Å; Q242-L246 PolarHBondContact O-N 2.96Å; V243-L246 PolarHBondContact O-N 2.89Å; L246-G249 PolarHBondContact O-N 2.86Å; L246-M250 PolarHBondContact O-N 2.89Å
247M63Low64.6Low124 Ų124109.9 Ų109.961%0.61162%0.615SS**Hα-helixtrans-69.5-36.7179.3-157.1170.7-165.200112.1V243 M250 M251V243-M247 WeakPolarHBondContact O-CB 3.46Å; V243-M247 PolarHBondContact O-N 3.3Å; M247-M250 PolarHBondContact O-N 3.48Å; M247-M251 PolarHBondContact O-N 3.13Å; M247-M251 VanDerWaalsContact O-N 3.12Å
248S62.3Low62.8Low78 Ų78109 Ų10955%0.54563%0.628SS.*Hα-helixtrans-67.7-36.6172.3-178.80000112.7Q244 Q245 M250 M251 S252Q244-S248 VanDerWaalsContact O-CB 3.3Å; Q244-S248 WeakPolarHBondContact O-CB 3.47Å; Q244-S248 PolarHBondContact O-N 3.33Å; Q245-S248 PolarHBondContact O-N 2.65Å; S248-M250 VanDerWaalsContact C-N 3.33Å; S248-M251 PolarHBondContact O-N 2.95Å; S248-S252 WeakPolarHBondContact O-CB 3.46Å; S248-S252 PolarHBondContact O-N 3.24Å; S248-S252 PolarHBondContact O-OG 3.4Å
249G61.8Low61Low41 Ų41106.9 Ų106.942%0.42363%0.632SS.*Hα-helixtrans-64.8-36.517300000112.8Q245 L246 S252 G253Q245-G249 PolarHBondContact O-N 2.85Å; L246-G249 PolarHBondContact O-N 2.86Å; G249-S252 WeakPolarHBondContact CA-OG 3.39Å; G249-S252 PolarHBondContact O-N 3.07Å; G249-S252 PolarHBondContact O-OG 3.39Å; G249-S252 VanDerWaalsContact O-OG 3.12Å; G249-G253 PolarHBondContact O-N 3.47Å; G249-G253 VanDerWaalsContact O-N 3.17Å
250M59Low59Low163 Ų163108.6 Ų108.680%0.80365%0.647SS**Hα-helixtrans-74.6-33.8179.2-161.7173.8179.200112.9L246 M247 S248L246-M250 PolarHBondContact O-N 2.89Å; M247-M250 PolarHBondContact O-N 3.48Å; S248-M250 VanDerWaalsContact C-N 3.33Å
251M56.5Low56.7Low139 Ų139110 Ų11069%0.68568%0.675SS**Hα-helixtrans-74.7-29172.2-80-172.9-16300113.5M247 S248M247-M251 PolarHBondContact O-N 3.13Å; M247-M251 VanDerWaalsContact O-N 3.12Å; S248-M251 PolarHBondContact O-N 2.95Å
252S57.5Low54.5Low83 Ų83110.2 Ų110.258%0.5869%0.691SS**Hα-helixtrans-81.4-20.4178.954.90000113.7S248 G249 A254S248-S252 WeakPolarHBondContact O-CB 3.46Å; S248-S252 PolarHBondContact O-N 3.24Å; S248-S252 PolarHBondContact O-OG 3.4Å; G249-S252 WeakPolarHBondContact CA-OG 3.39Å; G249-S252 PolarHBondContact O-N 3.07Å; G249-S252 PolarHBondContact O-OG 3.39Å; G249-S252 VanDerWaalsContact O-OG 3.12Å; S252-A254 VanDerWaalsContact C-N 3.33Å; S252-A254 PolarHBondContact O-N 2.87Å
253G52.1Low52.5Low67 Ų67107.2 Ų107.269%0.69170%0.698SS**THydrogen-bonded Turntrans-77-5175.800000116.4G249G249-G253 PolarHBondContact O-N 3.47Å; G249-G253 VanDerWaalsContact O-N 3.17Å
254A50.4Low50.3Low80 Ų80110.1 Ų110.166%0.66173%0.728SS**THydrogen-bonded Turntrans-94-2.6-178.700000114.6S252S252-A254 VanDerWaalsContact C-N 3.33Å; S252-A254 PolarHBondContact O-N 2.87Å
255Y48.6Very low48.3Very low217 Ų217108.7 Ų108.785%0.85174%0.742SS**SBendtrans-121.373.7177.9-71.2-84.8000110.7
256G47.2Very low46.4Very low67 Ų67106.1 Ų106.169%0.69175%0.753SS**  trans-177.946.1-177.600000118.8
257M41.3Very low44.4Very low198 Ų198103.8 Ų103.898%0.97576%0.761SS**  trans-171.8122.7160.4-144.283.3160.600106.1
258G35.8Very low42.9Very low72 Ų72102 Ų10274%0.74278%0.775SS**  cis141.2117.521.600000105.5
259A37.3Very low41.4Very low93 Ų93101.7 Ų101.777%0.76978%0.783SS**  trans-76.1178.5-164.900000116.3
260T36.6Very low40Very low149 Ų149107.3 Ų107.391%0.91481%0.809SS**  trans99.8128.1165.4760000115.7
261G34.5Very low38.7Very low85 Ų85103.3 Ų103.388%0.87681%0.81SS**  cis169.6148.4-2.800000109.3
262G31.7Very low37.5Very low83 Ų83100 Ų10086%0.85681%0.811SS**  trans167.992.4170.200000116.8
263G31.3Very low36.3Very low79 Ų79102.2 Ų102.281%0.81483%0.827SS**  85.3102.112800000121.6
264A32.3Very low35.3Very low114 Ų114103 Ų10394%0.94284%0.835SS**  trans74.6128.813300000122.2
265G31.6Very low34.5Very low78 Ų78102.4 Ų102.480%0.80484%0.836SS**  trans124.482.8134.100000118.5
266G30.9Very low33.8Very low86 Ų8699.8 Ų99.889%0.88784%0.843SS**  63119.7128.700000122.1
267G31.1Very low33Very low83 Ų83100.2 Ų100.286%0.85685%0.848SS**  108.597.8123.300000119.3
268G30.5Very low32.7Very low88 Ų8894.7 Ų94.791%0.90784%0.841SS**  83.7121.5125.200000120.7
269G31.6Very low32.6Very low70 Ų7097.4 Ų97.472%0.72285%0.849SS**  117.995128.200000119.9
270V32.3Very low32.4Very low159 Ų15996.6 Ų96.696%0.96485%0.85SS**  trans39.4136.2134.2-86.60000124.4
271G31.2Very low32.3Very low80 Ų8093.2 Ų93.283%0.82584%0.844SS**  trans108.2108.5142.900000114.6
272G32.4Very low32.3Very low69 Ų6996.4 Ų96.471%0.71185%0.846SS**  113104.97800000108.5
273S31.8Very low32.3Very low129 Ų12996.2 Ų96.290%0.90284%0.844SS**  90127.695.566.80000115.9
274G32Very low32.3Very low84 Ų8495.9 Ų95.987%0.86684%0.841SS**  trans100.1125.516100000113.8
275G32.4Very low32.3Very low67 Ų6796.8 Ų96.869%0.69184%0.841SS**  cis123.4128.216.700000109.3
276V33.3Very low32.3Very low162 Ų16296.9 Ų96.998%0.98284%0.842SS**  trans59.4141164.5-74.40000117.7
277G32Very low32.3Very low77 Ų7796.6 Ų96.679%0.79484%0.839SS**  cis147.8158.114.600000107.4
278G34Very low32.5Very low82 Ų82100.2 Ų100.285%0.84584%0.843SS**  trans113.491.5156.300000117.7
279S34.8Very low32.5Very low128 Ų12899.8 Ų99.890%0.89584%0.839SS**  trans-65.5148.415449.70000112.6
280G32.6Very low32.4Very low77 Ų7799.9 Ų99.979%0.79484%0.84SS**  trans-18099164.100000112.5
281G33.3Very low32.4Very low77 Ų7798.5 Ų98.579%0.79484%0.838SS**  trans-79.8160.2171.900000112.7
282V35.1Very low32.3Very low152 Ų15298.6 Ų98.692%0.92184%0.839SS**  trans-144.9122162.5-108.60000108
283G32.8Very low32.2Very low79 Ų7998.6 Ų98.681%0.81484%0.839SS**  trans-98.8150174.400000111.9
284G31.1Very low32.3Very low72 Ų72100 Ų10074%0.74284%0.841SS**  75.1109129.300000119.1
285S32.2Very low32.1Very low134 Ų134100 Ų10094%0.93784%0.842SS**  144.2128.4111.360.90000111.5
286G30.2Very low32Very low80 Ų80100.1 Ų100.183%0.82584%0.843SS**  trans-151.5104.4175.100000109.5
287G31.6Very low31.9Very low80 Ų8098.9 Ų98.983%0.82584%0.841SS**  trans-78.2161.1178.300000114
288V35.9Very low31.8Very low158 Ų15899.1 Ų99.196%0.95884%0.844SS**  trans-47.8148.3172.1-83.20000116.7
289G29.5Very low31.5Very low79 Ų7998.8 Ų98.881%0.81484%0.84SS**  trans170.897160.500000116.9
290G29.9Very low31.5Very low72 Ų7299.9 Ų99.974%0.74284%0.841SS**  51118.1129.600000124.3
291S33.2Very low31.4Very low131 Ų131102 Ų10292%0.91684%0.844SS**  64.4136.4124.6640000123.7
292G28.8Very low31.2Very low82 Ų82102.2 Ų102.285%0.84585%0.846SS**  trans122.1126.2161.200000111.1
293G30Very low30.9Very low69 Ų69101 Ų10171%0.71184%0.844SS**  cis112.911626.300000109.4
294V32.8Very low30.7Very low158 Ų158101.2 Ų101.296%0.95885%0.847SS**  trans77138.2157.8-61.40000123.6
295G29.2Very low30.4Very low85 Ų85101.8 Ų101.888%0.87685%0.852SS**  trans102.6130.5154.300000114.4
296G29.2Very low30.3Very low69 Ų69103 Ų10371%0.71185%0.854SS**  cis134.9108.915.100000109.4
297S32.5Very low30.2Very low135 Ų135102.9 Ų102.994%0.94485%0.853SS**  trans55133.4154.859.60000122.2
298G28.4Very low29.9Very low82 Ų82103.3 Ų103.385%0.84586%0.858SS**  trans161.797.8153.100000112.7
299G28.4Very low29.4Very low75 Ų7599.8 Ų99.877%0.77385%0.853SS**  trans-92.6151.4170.400000111.6
300V33.8Very low29.3Very low151 Ų151101.5 Ų101.592%0.91586%0.859SS**  trans-151.2135.1153.2-157.20000110
301S32.3Very low29.1Very low121 Ų121102 Ų10285%0.84687%0.865SS**  trans-65.5153.7173.4-43.40000113.5
302G27.8Very low28.8Very low82 Ų82101.2 Ų101.285%0.84587%0.866SS**  trans-175.5102.9167.800000113.4
303S30.2Very low28.7Very low126 Ų126101.1 Ų101.188%0.88187%0.865SS**  trans-82.7148.2-177.850.40000114.6
304G27.1Very low28.5Very low84 Ų84102 Ų10287%0.86687%0.874SS**  trans116.4134.4139.200000117.3
305G26.3Very low28.1Very low84 Ų8498 Ų9887%0.86686%0.864SS**  trans14497.5154.300000117.4
306V28.8Very low28.1Very low159 Ų159101.4 Ų101.496%0.96487%0.868SS**  trans-59.8154.6172-88.70000117.2
307G27.4Very low27.9Very low79 Ų79101.9 Ų101.981%0.81487%0.873SS**  trans148.9117.915700000110.7
308G25.5Very low27.7Very low89 Ų8999.4 Ų99.492%0.91887%0.869SS**  cis100.694.732.900000109
309G27.1Very low27.7Very low83 Ų83100.7 Ų100.786%0.85687%0.872SS**  trans175.195.6176.300000114.9
310A26.2Very low27.8Very low115 Ų115103.1 Ų103.195%0.9588%0.876SS**  trans-76.6151.417000000111.8
311G26.7Very low27.6Very low83 Ų83100.4 Ų100.486%0.85687%0.87SS**  trans-162.4107.5169.500000110.9
312A26.1Very low27.7Very low115 Ų11599.2 Ų99.295%0.9587%0.867SS**  trans-95.4160.1-176.300000112.8
313G26.8Very low27.8Very low80 Ų80104.9 Ų104.983%0.82587%0.872SS**  trans135.6113.8166.200000110.2
314G25.1Very low28Very low87 Ų87102.2 Ų102.290%0.89786%0.864SS**  cis114.8106.72400000108.1
315G25.3Very low28.8Very low73 Ų73104.1 Ų104.175%0.75386%0.862SS**  trans165.866.517700000118
316V28.2Very low30.2Very low158 Ų158105.1 Ų105.196%0.95886%0.861SS**  trans18.2130.2145.3-79.20000122
317G26.5Very low31.5Very low79 Ų79103 Ų10381%0.81484%0.844SS**  trans-166.786.6159.800000113.9
318G27.1Very low33.1Very low83 Ų83105 Ų10586%0.85684%0.836SS**  trans38.5118.314700000122.3
319A29.8Very low35Very low109 Ų109104.3 Ų104.390%0.90182%0.817SS**  trans-64.5148.2162.700000113.5
320S30.1Very low37.2Very low125 Ų125102.3 Ų102.387%0.87480%0.797SS**  trans-153.7136.6139.362.70000110.6
321A29.7Very low39.4Very low95 Ų95103.2 Ų103.279%0.78579%0.785SS**  trans-88.1157-175.500000112.2
322A33.7Very low41.7Very low95 Ų95103.8 Ų103.879%0.78577%0.767SS**  trans53.5119.514600000119.9
323Q30.6Very low44.1Very low201 Ų201104 Ų10494%0.93975%0.749SS**  trans-159.5116.4144.8-105.116824.300109.7
324G33.4Very low46.3Very low70 Ų70102.9 Ų102.972%0.72273%0.731SS**  trans-90.3-169.6148.800000109.4
325P45.1Very low48.8Very low125 Ų125100.6 Ų100.681%0.81271%0.708SS**  cis-98.2161.5-17.736.5-26.2000111.2D327P325-D327 PolarHBondContact O-N 3.14Å
326A55Low51.4Low104 Ų104102.7 Ų102.786%0.8670%0.698SS**  trans-57.8125171.300000110.3L328A326-L328 PolarHBondContact O-N 3.43Å; A326-L328 VanDerWaalsContact O-N 3.12Å
327D56.4Low53.8Low114 Ų114101 Ų10161%0.6168%0.68SS**  trans-60106.5-169.9-157.8-14.3000111.5P325 S329 G330 L331P325-D327 PolarHBondContact O-N 3.14Å; D327-S329 PolarHBondContact O-N 3.06Å; D327-S329 VanDerWaalsContact O-N 3.08Å; D327-S329 VanDerWaalsContact OD1-CB 3.26Å; D327-S329 WeakPolarHBondContact OD1-CB 3.34Å; D327-S329 PolarHBondContact OD1-N 3.43Å; D327-S329 PolarHBondContact OD1-OG 2.94Å; D327-G330 WeakPolarHBondContact O-CA 3.34Å; D327-G330 PolarHBondContact O-N 3.27Å; D327-L331 PolarHBondContact O-N 3.36Å
328L61Low56.3Low123 Ų123103.2 Ų103.264%0.64467%0.667SS**Hα-helixtrans-53-29.2176.4-179.165.3000111.6A326 G330 L331 I332A326-L328 PolarHBondContact O-N 3.43Å; A326-L328 VanDerWaalsContact O-N 3.12Å; L328-G330 VanDerWaalsContact C-N 3.32Å; L328-G330 PolarHBondContact O-N 2.9Å; L328-L331 PolarHBondContact O-N 3.37Å; L328-I332 HydrophobicContact CG-CD1 4.22Å; L328-I332 WeakPolarHBondContact O-CG1 3.34Å; L328-I332 PolarHBondContact O-N 2.92Å
329S65Low58.5Low73 Ų73101.6 Ų101.651%0.5165%0.646SS.*Hα-helixtrans-61.4-39.2174.5-40.40000112D327 I332 Q333D327-S329 PolarHBondContact O-N 3.06Å; D327-S329 VanDerWaalsContact O-N 3.08Å; D327-S329 VanDerWaalsContact OD1-CB 3.26Å; D327-S329 WeakPolarHBondContact OD1-CB 3.34Å; D327-S329 PolarHBondContact OD1-N 3.43Å; D327-S329 PolarHBondContact OD1-OG 2.94Å; S329-I332 PolarHBondContact O-N 3.43Å; S329-Q333 WeakPolarHBondContact O-CB 3.31Å; S329-Q333 PolarHBondContact O-N 3.3Å
330G74.3Confident61Low42 Ų42102 Ų10243%0.43363%0.629SS.*Hα-helixtrans-67-37.3176.800000112.3D327 L328 Q333 A334D327-G330 WeakPolarHBondContact O-CA 3.34Å; D327-G330 PolarHBondContact O-N 3.27Å; L328-G330 VanDerWaalsContact C-N 3.32Å; L328-G330 PolarHBondContact O-N 2.9Å; G330-Q333 PolarHBondContact O-N 2.96Å; G330-A334 WeakPolarHBondContact O-CB 3.34Å; G330-A334 PolarHBondContact O-N 2.96Å
331L71.6Confident63.4Low134 Ų134101 Ų10170%0.70261%0.611SS**Hα-helixtrans-67.9-41.7176.1-156.291.7000111.7D327 L328 Q333 A334 G335D327-L331 PolarHBondContact O-N 3.36Å; L328-L331 PolarHBondContact O-N 3.37Å; L331-Q333 VanDerWaalsContact C-N 3.34Å; L331-A334 PolarHBondContact O-N 3.28Å; L331-G335 PolarHBondContact O-N 3.13Å
332I75.6Confident65.6Low94 Ų9499.8 Ų99.848%0.48259%0.59SS.*Hα-helixtrans-63.2-42.9176.5-68.3169.2000110.4L328 S329 G335 Q336L328-I332 HydrophobicContact CG-CD1 4.22Å; L328-I332 WeakPolarHBondContact O-CG1 3.34Å; L328-I332 PolarHBondContact O-N 2.92Å; S329-I332 PolarHBondContact O-N 3.43Å; I332-G335 PolarHBondContact O-N 3.17Å; I332-Q336 WeakPolarHBondContact O-CG 3.25Å; I332-Q336 PolarHBondContact O-N 2.83Å
333Q75.4Confident67.6Low120 Ų12099.8 Ų99.856%0.56157%0.573SS**Hα-helixtrans-68.6-40.2-179.7-170141.90.800112.4S329 G330 L331 G335 Q336 Q337S329-Q333 WeakPolarHBondContact O-CB 3.31Å; S329-Q333 PolarHBondContact O-N 3.3Å; G330-Q333 PolarHBondContact O-N 2.96Å; L331-Q333 VanDerWaalsContact C-N 3.34Å; Q333-G335 VanDerWaalsContact C-N 3.34Å; Q333-G335 PolarHBondContact O-N 3.26Å; Q333-Q336 PolarHBondContact O-N 3.45Å; Q333-Q337 WeakPolarHBondContact O-CG 3.49Å; Q333-Q337 PolarHBondContact O-N 2.98Å
334A73.6Confident69.9Low56 Ų5697.9 Ų97.946%0.46356%0.564SS.*Hα-helixtrans-62-41.4172.500000111.7G330 L331 Q336 Q337 F338G330-A334 WeakPolarHBondContact O-CB 3.34Å; G330-A334 PolarHBondContact O-N 2.96Å; L331-A334 PolarHBondContact O-N 3.28Å; A334-Q336 PolarHBondContact O-N 3.07Å; A334-Q337 PolarHBondContact O-N 3.48Å; A334-F338 WeakPolarHBondContact O-CB 3.1Å; A334-F338 PolarHBondContact O-N 3.18Å
335G77.9Confident72.1Confident39 Ų39101.4 Ų101.440%0.40256%0.562SS.*Hα-helixtrans-62.1-41.1175.500000113.2L331 I332 Q333 A339L331-G335 PolarHBondContact O-N 3.13Å; I332-G335 PolarHBondContact O-N 3.17Å; Q333-G335 VanDerWaalsContact C-N 3.34Å; Q333-G335 PolarHBondContact O-N 3.26Å; G335-A339 WeakPolarHBondContact O-CB 3.41Å; G335-A339 PolarHBondContact O-N 3.26Å
336Q80.1Confident73.7Confident118 Ų11899.4 Ų99.455%0.55155%0.545SS*.Hα-helixtrans-66.7-40.4176.9-73.6178.4-2.900112.5I332 Q333 A334 A339 Q340I332-Q336 WeakPolarHBondContact O-CG 3.25Å; I332-Q336 PolarHBondContact O-N 2.83Å; Q333-Q336 PolarHBondContact O-N 3.45Å; A334-Q336 PolarHBondContact O-N 3.07Å; Q336-A339 PolarHBondContact O-N 3.24Å; Q336-Q340 WeakPolarHBondContact O-CG 3.44Å; Q336-Q340 PolarHBondContact O-N 2.97Å; Q336-Q340 VanDerWaalsContact O-N 3.08Å
337Q78.4Confident74.9Confident122 Ų12298.6 Ų98.657%0.5753%0.53SS*.Hα-helixtrans-66.2-42.5176.8-73.8-178.9-21.300111.9Q333 A334 A339 Q340 Q341Q333-Q337 WeakPolarHBondContact O-CG 3.49Å; Q333-Q337 PolarHBondContact O-N 2.98Å; A334-Q337 PolarHBondContact O-N 3.48Å; Q337-A339 PolarHBondContact O-N 3.35Å; Q337-Q340 PolarHBondContact O-N 3.34Å; Q337-Q341 PolarHBondContact O-N 2.93Å
338F78.8Confident76.1Confident126 Ų126100.4 Ų100.455%0.55354%0.535SS*.Hα-helixtrans-62-43.1175.7-179.6-104.6000112A334 Q340 Q341 M342A334-F338 WeakPolarHBondContact O-CB 3.1Å; A334-F338 PolarHBondContact O-N 3.18Å; F338-Q340 VanDerWaalsContact C-N 3.34Å; F338-Q340 PolarHBondContact O-N 3Å; F338-Q341 PolarHBondContact O-N 3.07Å; F338-M342 HydrophobicContact CE1-CE 4.04Å; F338-M342 HydrophobicContact CE1-CG 4.09Å; F338-M342 HydrophobicContact CE2-CG 4.4Å; F338-M342 HydrophobicContact CZ-CE 4.47Å; F338-M342 HydrophobicContact CZ-CG 3.94Å; F338-M342 HydrophobicContact CZ-SD 4.46Å; F338-M342 PolarHBondContact O-N 3.23Å
339A73.8Confident76.8Confident49 Ų4997.8 Ų97.841%0.40552%0.521SS..Hα-helixtrans-61.2-41.4176.600000112.3G335 Q336 Q337 Q343G335-A339 WeakPolarHBondContact O-CB 3.41Å; G335-A339 PolarHBondContact O-N 3.26Å; Q336-A339 PolarHBondContact O-N 3.24Å; Q337-A339 PolarHBondContact O-N 3.35Å; A339-Q343 WeakPolarHBondContact O-CB 3.48Å; A339-Q343 PolarHBondContact O-N 3.4Å
340Q80.6Confident77.3Confident116 Ų11695.9 Ų95.954%0.54251%0.505SS..Hα-helixtrans-65.1-41.5176-73.6177.50.700112.2Q336 Q337 F338 Q343 Q344Q336-Q340 WeakPolarHBondContact O-CG 3.44Å; Q336-Q340 PolarHBondContact O-N 2.97Å; Q336-Q340 VanDerWaalsContact O-N 3.08Å; Q337-Q340 PolarHBondContact O-N 3.34Å; F338-Q340 VanDerWaalsContact C-N 3.34Å; F338-Q340 PolarHBondContact O-N 3Å; Q340-Q343 PolarHBondContact O-N 2.9Å; Q340-Q344 WeakPolarHBondContact O-CG 3.3Å; Q340-Q344 PolarHBondContact O-N 3.33Å; Q340-Q344 VanDerWaalsContact O-N 3.09Å
341Q81.3Confident77.4Confident106 Ų10698.5 Ų98.550%0.49551%0.506SS..Hα-helixtrans-65.9-43.8178.5-169.3175.31200111.8Q337 F338 Q343 Q344 Q345Q337-Q341 PolarHBondContact O-N 2.93Å; F338-Q341 PolarHBondContact O-N 3.07Å; Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 3.17Å; Q341-Q344 PolarHBondContact O-N 3.17Å; Q341-Q345 WeakPolarHBondContact O-CG 3.23Å; Q341-Q345 PolarHBondContact O-N 3.43Å
342M76.1Confident77.6Confident69 Ų6997.7 Ų97.734%0.3450%0.499SS..Hα-helixtrans-60.4-39173.2-95.6-122.3-72.900112.1F338 Q344 Q345 N346 L349F338-M342 HydrophobicContact CE1-CE 4.04Å; F338-M342 HydrophobicContact CE1-CG 4.09Å; F338-M342 HydrophobicContact CE2-CG 4.4Å; F338-M342 HydrophobicContact CZ-CE 4.47Å; F338-M342 HydrophobicContact CZ-CG 3.94Å; F338-M342 HydrophobicContact CZ-SD 4.46Å; F338-M342 PolarHBondContact O-N 3.23Å; M342-Q344 VanDerWaalsContact C-N 3.33Å; M342-Q344 PolarHBondContact O-N 3.37Å; M342-Q345 PolarHBondContact O-N 3.5Å; M342-N346 PolarHBondContact O-N 2.74Å; M342-L349 HydrophobicContact SD-CD2 4.14Å
343Q76Confident77.6Confident95 Ų9597.8 Ų97.844%0.44450%0.5SS..Hα-helixtrans-67-33.3178.9-164.8172.74.400113A339 Q340 Q341 I350A339-Q343 WeakPolarHBondContact O-CB 3.48Å; A339-Q343 PolarHBondContact O-N 3.4Å; Q340-Q343 PolarHBondContact O-N 2.9Å; Q341-Q343 VanDerWaalsContact C-N 3.29Å; Q341-Q343 PolarHBondContact O-N 3.17Å; Q343-I350 HydrophobicContact CB-CD1 3.87Å; Q343-I350 HydrophobicContact CB-CG1 4.42Å; Q343-I350 HydrophobicContact CG-CD1 4.14Å; Q343-I350 HydrophobicContact CG-CG1 4.43Å
344Q78.4Confident77.6Confident161 Ų16197.9 Ų97.975%0.75250%0.495SS*.Hα-helixtrans-75.8-38.2176.1-70.9178.77.600112.6Q340 Q341 M342Q340-Q344 WeakPolarHBondContact O-CG 3.3Å; Q340-Q344 PolarHBondContact O-N 3.33Å; Q340-Q344 VanDerWaalsContact O-N 3.09Å; Q341-Q344 PolarHBondContact O-N 3.17Å; M342-Q344 VanDerWaalsContact C-N 3.33Å; M342-Q344 PolarHBondContact O-N 3.37Å
345Q79.7Confident77.8Confident143 Ų14397.6 Ų97.667%0.66849%0.49SS*.Hα-helixtrans-83.8-28.8-175.5-69.9-171.2-16.300113.4Q341 M342Q341-Q345 WeakPolarHBondContact O-CG 3.23Å; Q341-Q345 PolarHBondContact O-N 3.43Å; M342-Q345 PolarHBondContact O-N 3.5Å
346N79.6Confident77.7Confident84 Ų84101.6 Ų101.645%0.44950%0.498SS..  trans-145.471.1-172-129.31.6000112.7M342 E348 L349 I350M342-N346 PolarHBondContact O-N 2.74Å; N346-E348 VanDerWaalsContact C-N 3.29Å; N346-E348 PolarHBondContact O-N 3.43Å; N346-L349 HydrophobicContact CB-CB 4.08Å; N346-L349 PolarHBondContact O-N 3.43Å; N346-I350 PolarHBondContact O-N 3.47Å
347P79.2Confident77.3Confident86 Ų86101.1 Ų101.156%0.55850%0.498SS*.Hα-helixtrans-64-30.8-176.124.9-33.9000113.4I350 E351P347-I350 PolarHBondContact O-N 2.86Å; P347-E351 PolarHBondContact O-N 3.42Å
348E81.1Confident77Confident153 Ų153103.4 Ų103.472%0.71550%0.501SS*.Hα-helixtrans-68.8-37.4177.5-67-167.7160.900112.7N346 I350 E351 Q352N346-E348 VanDerWaalsContact C-N 3.29Å; N346-E348 PolarHBondContact O-N 3.43Å; E348-I350 VanDerWaalsContact C-N 3.31Å; E348-I350 PolarHBondContact O-N 2.89Å; E348-E351 PolarHBondContact O-N 2.91Å; E348-Q352 WeakPolarHBondContact O-CG 3.33Å; E348-Q352 PolarHBondContact O-N 3Å
349L75.9Confident76.5Confident67 Ų67104 Ų10435%0.35151%0.511SS..Hα-helixtrans-64.7-38.1177.9-176.366000111.3M342 N346 Q352 L353M342-L349 HydrophobicContact SD-CD2 4.14Å; N346-L349 HydrophobicContact CB-CB 4.08Å; N346-L349 PolarHBondContact O-N 3.43Å; L349-Q352 PolarHBondContact O-N 2.97Å; L349-L353 PolarHBondContact O-N 2.94Å
350I75.3Confident75.7Confident33 Ų33111.9 Ų111.917%0.16953%0.53CS..Hα-helixtrans-66.1-40176.4-64.2-108.8000110.7Q343 N346 P347 E348 L353 R354Q343-I350 HydrophobicContact CB-CD1 3.87Å; Q343-I350 HydrophobicContact CB-CG1 4.42Å; Q343-I350 HydrophobicContact CG-CD1 4.14Å; Q343-I350 HydrophobicContact CG-CG1 4.43Å; N346-I350 PolarHBondContact O-N 3.47Å; P347-I350 PolarHBondContact O-N 2.86Å; E348-I350 VanDerWaalsContact C-N 3.31Å; E348-I350 PolarHBondContact O-N 2.89Å; I350-L353 PolarHBondContact O-N 3.02Å; I350-R354 WeakPolarHBondContact O-CB 3.38Å; I350-R354 WeakPolarHBondContact O-CG 3.18Å; I350-R354 PolarHBondContact O-N 2.72Å
351E76.1Confident74.4Confident98 Ų98111.2 Ų111.246%0.45853%0.534SS..Hα-helixtrans-71-34.4178.2-161.558.1-14900111.8P347 E348 R354 S355P347-E351 PolarHBondContact O-N 3.42Å; E348-E351 PolarHBondContact O-N 2.91Å; E351-R354 PolarHBondContact O-N 2.94Å; E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.49Å; E351-S355 PolarHBondContact O-OG 2.88Å
352Q77.4Confident72.8Confident117 Ų117111.8 Ų111.855%0.54755%0.546SS..Hα-helixtrans-64.2-42.4169.4-75.1-176.1-6.200112.2E348 L349 S355 Q356E348-Q352 WeakPolarHBondContact O-CG 3.33Å; E348-Q352 PolarHBondContact O-N 3Å; L349-Q352 PolarHBondContact O-N 2.97Å; Q352-S355 WeakPolarHBondContact CA-OG 3.41Å; Q352-S355 PolarHBondContact O-N 3.4Å; Q352-S355 PolarHBondContact O-OG 3.33Å; Q352-Q356 WeakPolarHBondContact O-CB 3.38Å; Q352-Q356 WeakPolarHBondContact O-CG 3.46Å; Q352-Q356 PolarHBondContact O-N 3.3Å
353L75.1Confident71.5Confident95 Ų95114 Ų11450%0.49757%0.569SS.*Hα-helixtrans-65.2-42.8176.3-129.688.9000111.6L349 I350 Q356 I357L349-L353 PolarHBondContact O-N 2.94Å; I350-L353 PolarHBondContact O-N 3.02Å; L353-Q356 PolarHBondContact O-N 3.46Å; L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.34Å; L353-I357 PolarHBondContact O-N 3.32Å
354R75.7Confident70.3Confident122 Ų122114.8 Ų114.846%0.4659%0.591SS.*Hα-helixtrans-64.4-41.8177.5-79.6178.8178.2172.60.5112.4I350 E351 I357 R358I350-R354 WeakPolarHBondContact O-CB 3.38Å; I350-R354 WeakPolarHBondContact O-CG 3.18Å; I350-R354 PolarHBondContact O-N 2.72Å; E351-R354 PolarHBondContact O-N 2.94Å; R354-I357 PolarHBondContact O-N 3.25Å; R354-R358 WeakPolarHBondContact O-CB 3.5Å; R354-R358 PolarHBondContact O-N 3.26Å
355S77Confident68.9Low51 Ų51109.2 Ų109.236%0.35758%0.577SS.*Hα-helixtrans-66.7-38176.356.80000111.9E351 Q352 R358 N359E351-S355 WeakPolarHBondContact O-CB 3.48Å; E351-S355 PolarHBondContact O-N 3.49Å; E351-S355 PolarHBondContact O-OG 2.88Å; Q352-S355 WeakPolarHBondContact CA-OG 3.41Å; Q352-S355 PolarHBondContact O-N 3.4Å; Q352-S355 PolarHBondContact O-OG 3.33Å; S355-R358 PolarHBondContact O-N 3.12Å; S355-N359 WeakPolarHBondContact O-CB 3.14Å; S355-N359 VanDerWaalsContact O-CG 3.3Å; S355-N359 PolarHBondContact O-N 3.22Å
356Q76.1Confident67.3Low122 Ų122110 Ų11057%0.5759%0.586SS**Hα-helixtrans-64.4-40.3173-77.7-1744.300113.1Q352 L353 R360Q352-Q356 WeakPolarHBondContact O-CB 3.38Å; Q352-Q356 WeakPolarHBondContact O-CG 3.46Å; Q352-Q356 PolarHBondContact O-N 3.3Å; L353-Q356 PolarHBondContact O-N 3.46Å; Q356-R360 WeakPolarHBondContact O-CG 3.49Å; Q356-R360 PolarHBondContact O-N 3.29Å
357I72.8Confident65.6Low108 Ų108115.6 Ų115.655%0.55461%0.609SS**Hα-helixtrans-68.4-43.6177-68167000110.6L353 R354 N359 R360 T361L353-I357 VanDerWaalsContact O-CG1 3.31Å; L353-I357 WeakPolarHBondContact O-CG1 3.34Å; L353-I357 PolarHBondContact O-N 3.32Å; R354-I357 PolarHBondContact O-N 3.25Å; I357-N359 VanDerWaalsContact C-N 3.28Å; I357-N359 PolarHBondContact O-N 3.36Å; I357-R360 PolarHBondContact O-N 2.88Å; I357-T361 PolarHBondContact O-N 3.07Å
358R71Confident63.9Low171 Ų171120.1 Ų120.165%0.64562%0.623SS**Hα-helixtrans-63.2-33.9177.8-167.2-178.5-67.1161.71.8112.3R354 S355 R360 T361R354-R358 WeakPolarHBondContact O-CB 3.5Å; R354-R358 PolarHBondContact O-N 3.26Å; S355-R358 PolarHBondContact O-N 3.12Å; R358-R360 VanDerWaalsContact C-N 3.3Å; R358-R360 PolarHBondContact O-N 3.41Å; R358-T361 PolarHBondContact O-OG1 3.23Å
359N67.7Low62Low139 Ų139121.3 Ų121.374%0.74363%0.629SS**THydrogen-bonded Turntrans-77.5-11175.1-74-8.2000113.8S355 I357S355-N359 WeakPolarHBondContact O-CB 3.14Å; S355-N359 VanDerWaalsContact O-CG 3.3Å; S355-N359 PolarHBondContact O-N 3.22Å; I357-N359 VanDerWaalsContact C-N 3.28Å; I357-N359 PolarHBondContact O-N 3.36Å
360R57.6Low60.3Low214 Ų214130.5 Ų130.581%0.80867%0.67SS**THydrogen-bonded Turntrans-98.4-4.1176.7-80.9-171.3-178.7-160.42.5114.3Q356 I357 R358 P362Q356-R360 WeakPolarHBondContact O-CG 3.49Å; Q356-R360 PolarHBondContact O-N 3.29Å; I357-R360 PolarHBondContact O-N 2.88Å; R358-R360 VanDerWaalsContact C-N 3.3Å; R358-R360 PolarHBondContact O-N 3.41Å; R360-P362 WeakPolarHBondContact O-CD 2.89Å
361T52.7Low59.5Low102 Ų102135.4 Ų135.463%0.62670%0.695SS**SBendtrans-89102.5168.331.60000110.1I357 R358I357-T361 PolarHBondContact O-N 3.07Å; R358-T361 PolarHBondContact O-OG1 3.23Å
362P49.1Very low58.7Low117 Ų117137.3 Ų137.376%0.7671%0.707SS**  trans-65.5139.3169.825.8-31.1000110.2R360 A364R360-P362 WeakPolarHBondContact O-CD 2.89Å; P362-A364 PolarHBondContact O-N 3.04Å
363S47.1Very low57.6Low117 Ų117138.4 Ų138.482%0.81872%0.716SS**  trans-52.397.6172.2-179.10000110.8G365S363-G365 PolarHBondContact O-N 3.02Å; S363-G365 VanDerWaalsContact O-N 3.17Å
364A51.5Low56.6Low110 Ų110141 Ų14191%0.90973%0.729SS**  trans-7892.3162.900000107.7P362P362-A364 PolarHBondContact O-N 3.04Å
365G48.8Very low55.4Low44 Ų44142.2 Ų142.245%0.45475%0.746SS.*  trans-178.5105.1176.400000111.6S363S363-G365 PolarHBondContact O-N 3.02Å; S363-G365 VanDerWaalsContact O-N 3.17Å
366N46.4Very low53.9Low161 Ų161148.3 Ų148.386%0.86177%0.772SS**  trans10790.2162.5-53.6-16.2000115.2
367E44.8Very low52.4Low200 Ų200150.1 Ų150.194%0.93579%0.786SS**  trans-166.284.1138.1-106.3167.1-166.500109.3
368E43Very low50.8Low182 Ų182153.4 Ų153.485%0.8580%0.804SS**  trans-147.6130.8157.9-139.6173.5123.300108
369Q40.6Very low49.1Very low177 Ų177151.9 Ų151.983%0.82782%0.817SS**  trans80.8114.7-173.9-54.6171.98.300113.3
370Q39.9Very low47.4Very low260 Ų260153.1 Ų153.1100%1.21582%0.824SS**  cis-157.5030.1-108.6166.829.500111.3

Retrieved 370 of 370 residues in 193.6 ms (Link to these results)

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