A0A5K4EDF9_SCHMA Loading...

dynamin GTPase

AlphaFold DB , UniProt , Accession A0A5K4EDF9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 865 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
1M33.3Very low56.2Low243 Ų24377.7 Ų77.7100%1.19743%0.433SS*.  096.60-62.2-168.1-139.400107.3G3M1-G3 PolarHBondContact O-N 3.28Å
2S36.3Very low58.2Low125 Ų12575 Ų7587%0.87442%0.421SS*.  trans-69.381.116347.30000106.3N4S2-N4 PolarHBondContact O-N 3.15Å
3G42Very low60Low37 Ų3769.2 Ų69.238%0.38139%0.389SS..  trans-51.7134.8175.300000107.7M1 I5M1-G3 PolarHBondContact O-N 3.28Å; G3-I5 PolarHBondContact O-N 2.91Å
4N48.5Very low61.4Low48 Ų4864.6 Ų64.626%0.25736%0.363SS..  trans-57.293.4173.2-90.4-56.7000107.3S2 G6 M7 E8 T743 V744S2-N4 PolarHBondContact O-N 3.15Å; N4-G6 PolarHBondContact O-N 3.2Å; N4-G6 VanDerWaalsContact O-N 3.1Å; N4-M7 HydrophobicContact CB-CB 3.76Å; N4-M7 HydrophobicContact CB-CE 4.1Å; N4-M7 HydrophobicContact CB-CG 3.75Å; N4-M7 WeakPolarHBondContact O-CA 3.26Å; N4-M7 VanDerWaalsContact O-CB 3.31Å; N4-M7 WeakPolarHBondContact O-CB 3.43Å; N4-M7 PolarHBondContact O-N 2.93Å; N4-E8 PolarHBondContact O-N 2.8Å; N4-T743 HydrophobicContact CB-CG2 4.04Å; N4-T743 WeakPolarHBondContact OD1-CA 3.4Å; N4-V744 PolarHBondContact ND2-N 3.18Å; N4-V744 VanDerWaalsContact ND2-N 3.2Å; N4-V744 PolarHBondContact ND2-O 3.24Å; N4-V744 PolarHBondContact OD1-N 3.38Å
5I53.2Low62.4Low120 Ų12060.7 Ų60.762%0.61534%0.341SS*.Hα-helixtrans-54.4-35.2-179.4-63.1168.4000109.6G3 M7 E8 Q9G3-I5 PolarHBondContact O-N 2.91Å; I5-M7 VanDerWaalsContact C-N 3.33Å; I5-M7 PolarHBondContact O-N 2.67Å; I5-E8 PolarHBondContact O-N 3.15Å; I5-Q9 WeakPolarHBondContact O-CG 3.41Å; I5-Q9 PolarHBondContact O-N 2.84Å
6G57.3Low63.5Low19 Ų1962.9 Ų62.920%0.19634%0.342CS..Hα-helixtrans-61.8-33.7173.300000114.1N4 Q9 L10N4-G6 PolarHBondContact O-N 3.2Å; N4-G6 VanDerWaalsContact O-N 3.1Å; G6-Q9 PolarHBondContact O-N 3.12Å; G6-L10 WeakPolarHBondContact O-CG 3.41Å
7M56.2Low64.4Low41 Ų4159.2 Ų59.220%0.20232%0.322CS..Hα-helixtrans-68.4-42.8176.6-88.4-141.5-94.600111.5N4 I5 Q9 L10 T287 R291 T743 V744N4-M7 HydrophobicContact CB-CB 3.76Å; N4-M7 HydrophobicContact CB-CE 4.1Å; N4-M7 HydrophobicContact CB-CG 3.75Å; N4-M7 WeakPolarHBondContact O-CA 3.26Å; N4-M7 VanDerWaalsContact O-CB 3.31Å; N4-M7 WeakPolarHBondContact O-CB 3.43Å; N4-M7 PolarHBondContact O-N 2.93Å; I5-M7 VanDerWaalsContact C-N 3.33Å; I5-M7 PolarHBondContact O-N 2.67Å; M7-Q9 PolarHBondContact O-N 3.25Å; M7-Q9 VanDerWaalsContact O-N 3.17Å; M7-L10 PolarHBondContact O-N 2.96Å; M7-L10 VanDerWaalsContact O-N 3.12Å; M7-T287 HydrophobicContact CB-CG2 3.77Å; M7-T287 HydrophobicContact CG-CG2 3.83Å; M7-T287 HydrophobicContact SD-CG2 3.46Å; M7-T287 WeakPolarHBondContact SD-CG2 3.4Å; M7-R291 PolarHBondContact SD-NH2 3.19Å; M7-T743 HydrophobicContact CG-CG2 4.02Å; M7-V744 VanDerWaalsContact CE-O 3.23Å; M7-V744 WeakPolarHBondContact CE-O 3.43Å
8E64.3Low65.1Low119 Ų11957.3 Ų57.356%0.55631%0.311SS*.Hα-helixtrans-63.3-23-178.9-66177.4-175.500112.1N4 I5 P12N4-E8 PolarHBondContact O-N 2.8Å; I5-E8 PolarHBondContact O-N 3.15Å; E8-P12 WeakPolarHBondContact O-CD 3.44Å
9Q71.7Confident65.5Low97 Ų9756.3 Ų56.345%0.45331%0.305SS..THydrogen-bonded Turntrans-89.3-10.9178.1-66.8-175.14.100114.8I5 G6 M7 P12 L13I5-Q9 WeakPolarHBondContact O-CG 3.41Å; I5-Q9 PolarHBondContact O-N 2.84Å; G6-Q9 PolarHBondContact O-N 3.12Å; M7-Q9 PolarHBondContact O-N 3.25Å; M7-Q9 VanDerWaalsContact O-N 3.17Å; Q9-P12 WeakPolarHBondContact O-CD 3.11Å; Q9-L13 WeakPolarHBondContact O-CB 3.44Å; Q9-L13 PolarHBondContact O-N 3.49Å
10L77.4Confident65.8Low3 Ų353.7 Ų53.72%0.01629%0.291CS..Hα-helixtrans-67-39-177.4-71.1179.3000113G6 M7 L13 V14 T287 I290 R291 L294 V739G6-L10 WeakPolarHBondContact O-CG 3.41Å; M7-L10 PolarHBondContact O-N 2.96Å; M7-L10 VanDerWaalsContact O-N 3.12Å; L10-L13 HydrophobicContact CD2-CD2 4.48Å; L10-L13 WeakPolarHBondContact O-CB 3.41Å; L10-L13 PolarHBondContact O-N 3.27Å; L10-V14 PolarHBondContact O-N 3.44Å; L10-T287 HydrophobicContact CD1-CG2 4.03Å; L10-I290 HydrophobicContact CB-CB 4.45Å; L10-I290 HydrophobicContact CB-CD1 4.49Å; L10-I290 HydrophobicContact CB-CG2 3.98Å; L10-I290 HydrophobicContact CD2-CG2 4.34Å; L10-R291 HydrophobicContact CD1-CB 4.04Å; L10-L294 HydrophobicContact CD2-CD2 4.42Å; L10-V739 HydrophobicContact CD2-CG1 4.12Å
11I78.5Confident66.1Low3 Ų351.6 Ų51.62%0.01528%0.28CS..Hα-helixtrans-68.7-48.4178.3-63.6172000110.7L13 V14 N15 N132 L286 I290I11-L13 PolarHBondContact O-N 3.35Å; I11-V14 PolarHBondContact O-N 2.95Å; I11-N15 PolarHBondContact O-N 3.03Å; I11-N15 VanDerWaalsContact O-N 3.15Å; I11-N132 HydrophobicContact CB-CB 4.48Å; I11-N132 HydrophobicContact CD1-CB 4.43Å; I11-N132 WeakPolarHBondContact CD1-O 3.32Å; I11-N132 HydrophobicContact CG2-CB 4.44Å; I11-L286 HydrophobicContact CD1-CD2 4.05Å; I11-L286 HydrophobicContact CD1-CG 4.36Å; I11-L286 HydrophobicContact CG1-CD2 4.09Å; I11-L286 HydrophobicContact CG1-CG 4.26Å; I11-I290 HydrophobicContact CB-CD1 4.48Å; I11-I290 HydrophobicContact CG1-CD1 3.77Å
12P80.2Confident67.8Low45 Ų4542.7 Ų42.729%0.29224%0.241SC..Hα-helixtrans-54-35.8169.7-28.734.4000114.2E8 Q9 N15 R16E8-P12 WeakPolarHBondContact O-CD 3.44Å; Q9-P12 WeakPolarHBondContact O-CD 3.11Å; P12-N15 PolarHBondContact O-N 3.28Å; P12-R16 WeakPolarHBondContact O-CG 3.38Å; P12-R16 PolarHBondContact O-N 3.26Å
13L81.6Confident69.2Low0 Ų041 Ų410%023%0.229CC..Hα-helixtrans-60.3-49.5176.1178.473.3000111.9Q9 L10 I11 N15 R16 L17 L294 I735 V739Q9-L13 WeakPolarHBondContact O-CB 3.44Å; Q9-L13 PolarHBondContact O-N 3.49Å; L10-L13 HydrophobicContact CD2-CD2 4.48Å; L10-L13 WeakPolarHBondContact O-CB 3.41Å; L10-L13 PolarHBondContact O-N 3.27Å; I11-L13 PolarHBondContact O-N 3.35Å; L13-N15 PolarHBondContact O-N 3Å; L13-R16 PolarHBondContact O-N 2.96Å; L13-R16 VanDerWaalsContact O-N 3.15Å; L13-L17 PolarHBondContact O-N 3.48Å; L13-L294 HydrophobicContact CD2-CD1 4.36Å; L13-L294 HydrophobicContact CD2-CD2 3.59Å; L13-I735 HydrophobicContact CD1-CG2 3.47Å; L13-I735 VanDerWaalsContact CD1-CG2 3.47Å; L13-I735 WeakPolarHBondContact CD1-O 3.44Å; L13-I735 HydrophobicContact CG-CG2 4.47Å; L13-V739 HydrophobicContact CB-CG2 4.31Å; L13-V739 HydrophobicContact CD1-CB 4.44Å; L13-V739 HydrophobicContact CD1-CG2 3.77Å; L13-V739 HydrophobicContact CD2-CB 4.17Å; L13-V739 HydrophobicContact CD2-CG2 4.18Å; L13-V739 HydrophobicContact CG-CG2 4.32Å
14V79.1Confident70.2Confident4 Ų441.5 Ų41.52%0.02422%0.223CC..Hα-helixtrans-60.1-38.5177.5175.50000111.2L10 I11 R16 L17 Q18 L32 I290L10-V14 PolarHBondContact O-N 3.44Å; I11-V14 PolarHBondContact O-N 2.95Å; V14-R16 VanDerWaalsContact C-N 3.34Å; V14-R16 PolarHBondContact O-N 3Å; V14-L17 WeakPolarHBondContact O-CB 3.42Å; V14-L17 PolarHBondContact O-N 3.15Å; V14-Q18 PolarHBondContact O-N 3.12Å; V14-L32 HydrophobicContact CG1-CB 4.29Å; V14-I290 HydrophobicContact CB-CD1 4.48Å; V14-I290 HydrophobicContact CG2-CB 4.48Å; V14-I290 HydrophobicContact CG2-CD1 3.67Å; V14-I290 HydrophobicContact CG2-CG1 3.8Å; V14-I290 HydrophobicContact CG2-CG2 3.8Å
15N76.9Confident70.5Confident7 Ų741.8 Ų41.84%0.03724%0.237CC..Hα-helixtrans-63.2-40.6177-63.8-17.4000111.9I11 P12 L13 Q18 D19 Q73 T134I11-N15 PolarHBondContact O-N 3.03Å; I11-N15 VanDerWaalsContact O-N 3.15Å; P12-N15 PolarHBondContact O-N 3.28Å; L13-N15 PolarHBondContact O-N 3Å; N15-Q18 PolarHBondContact O-N 3.02Å; N15-D19 PolarHBondContact O-N 2.88Å; N15-Q73 VanDerWaalsContact CG-CD 3.44Å; N15-Q73 PolarHBondContact OD1-NE2 2.89Å; N15-T134 PolarHBondContact OD1-OG1 2.89Å
16R79.4Confident70.7Confident95 Ų9536.8 Ų36.836%0.35821%0.212SC..Hα-helixtrans-66-37.6175-68.6-169.8-61.8159.14.4112.4P12 L13 V14 D19 A20 I735 E738P12-R16 WeakPolarHBondContact O-CG 3.38Å; P12-R16 PolarHBondContact O-N 3.26Å; L13-R16 PolarHBondContact O-N 2.96Å; L13-R16 VanDerWaalsContact O-N 3.15Å; V14-R16 VanDerWaalsContact C-N 3.34Å; V14-R16 PolarHBondContact O-N 3Å; R16-D19 PolarHBondContact O-N 2.98Å; R16-A20 PolarHBondContact O-N 2.8Å; R16-I735 HydrophobicContact CB-CD1 4.41Å; R16-I735 HydrophobicContact CB-CG2 3.89Å; R16-E738 IonicContact CZ-OE2 3.57Å; R16-E738 IonicContact NH1-OE2 2.94Å; R16-E738 PolarHBondContact NH1-OE2 3.33Å; R16-E738 IonicContact NH2-OE2 3.23Å; R16-E738 PolarHBondContact NH2-OE2 2.95Å
17L78.8Confident70.3Confident1 Ų141.1 Ų41.11%0.00524%0.237CC..Hα-helixtrans-62.2-48.7173.6-68.2172.1000110.8L13 V14 D19 A20 F21 L32 L294 A732 I735 I736L13-L17 PolarHBondContact O-N 3.48Å; V14-L17 WeakPolarHBondContact O-CB 3.42Å; V14-L17 PolarHBondContact O-N 3.15Å; L17-D19 PolarHBondContact O-N 3.45Å; L17-A20 PolarHBondContact O-N 2.84Å; L17-A20 VanDerWaalsContact O-N 3.16Å; L17-F21 HydrophobicContact CB-CE2 4.41Å; L17-F21 HydrophobicContact CD2-CE2 4.5Å; L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 3.41Å; L17-F21 VanDerWaalsContact O-N 3.11Å; L17-L32 HydrophobicContact CB-CD1 4.44Å; L17-L32 HydrophobicContact CB-CD2 4.15Å; L17-L32 HydrophobicContact CD1-CD2 4.28Å; L17-L294 HydrophobicContact CD1-CD1 4.4Å; L17-A732 HydrophobicContact CD2-CB 3.79Å; L17-A732 WeakPolarHBondContact CD2-O 3.29Å; L17-I735 HydrophobicContact CD2-CB 3.79Å; L17-I735 HydrophobicContact CD2-CD1 4.35Å; L17-I735 HydrophobicContact CD2-CG2 3.64Å; L17-I735 HydrophobicContact CG-CG2 3.85Å; L17-I736 HydrophobicContact CD1-CD1 4.29Å; L17-I736 HydrophobicContact CD1-CG1 3.88Å; L17-I736 HydrophobicContact CD2-CD1 4.38Å; L17-I736 HydrophobicContact CD2-CG1 3.92Å; L17-I736 HydrophobicContact CG-CG1 4.48Å
18Q76.5Confident70Confident25 Ų2541 Ų4112%0.11724%0.237CC..Hα-helixtrans-56.8-39.2178-167.9173.818.300112.2V14 N15 S22 L32V14-Q18 PolarHBondContact O-N 3.12Å; N15-Q18 PolarHBondContact O-N 3.02Å; Q18-S22 VanDerWaalsContact O-CB 3.29Å; Q18-S22 WeakPolarHBondContact O-CB 3.41Å; Q18-S22 PolarHBondContact O-N 2.95Å; Q18-S22 PolarHBondContact O-OG 2.88Å; Q18-L32 HydrophobicContact CB-CD1 3.85Å; Q18-L32 HydrophobicContact CG-CD1 4.32Å
19D72.5Confident69.6Low38 Ų3841.8 Ų41.820%0.20325%0.245CC..Hα-helixtrans-65.6-46.1175.2-75.6-1.8000112.9N15 R16 L17 F21 S22 S23 R124N15-D19 PolarHBondContact O-N 2.88Å; R16-D19 PolarHBondContact O-N 2.98Å; L17-D19 PolarHBondContact O-N 3.45Å; D19-F21 VanDerWaalsContact C-N 3.29Å; D19-F21 PolarHBondContact O-N 3.15Å; D19-S22 PolarHBondContact O-N 3.49Å; D19-S23 WeakPolarHBondContact O-CB 3.41Å; D19-S23 PolarHBondContact O-N 3.43Å; D19-S23 PolarHBondContact O-OG 3.43Å; D19-S23 VanDerWaalsContact O-OG 3.08Å; D19-R124 IonicContact OD1-CZ 3.35Å; D19-R124 IonicContact OD1-NH1 2.91Å; D19-R124 IonicContact OD1-NH2 3.17Å; D19-R124 PolarHBondContact OD1-NH2 3.49Å; D19-R124 IonicContact OD2-CZ 3.15Å; D19-R124 IonicContact OD2-NH1 2.64Å; D19-R124 PolarHBondContact OD2-NH1 3.09Å; D19-R124 IonicContact OD2-NH2 3.99Å; D19-R124 PolarHBondContact OD2-NH2 3Å
20A72.7Confident69Low3 Ų338.4 Ų38.43%0.02523%0.23CC..Hα-helixtrans-57-46.5178.700000110.3R16 L17 S23 L24 E731 I735R16-A20 PolarHBondContact O-N 2.8Å; L17-A20 PolarHBondContact O-N 2.84Å; L17-A20 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 3.46Å; A20-S23 VanDerWaalsContact O-OG 3.05Å; A20-L24 WeakPolarHBondContact O-CB 3.38Å; A20-L24 WeakPolarHBondContact O-CD1 3.36Å; A20-L24 VanDerWaalsContact O-CG 3.23Å; A20-L24 WeakPolarHBondContact O-CG 3.34Å; A20-L24 PolarHBondContact O-N 3.26Å; A20-E731 HydrophobicContact CB-CG 4.18Å; A20-I735 HydrophobicContact CB-CD1 3.75Å
21F72Confident68.6Low11 Ų1139.7 Ų39.75%0.04824%0.237CC..Hα-helixtrans-69.5-40.6179.2-68.2-65.6000113.5L17 D19 G25 V26 L28 L30 L301 A728 A732L17-F21 HydrophobicContact CB-CE2 4.41Å; L17-F21 HydrophobicContact CD2-CE2 4.5Å; L17-F21 WeakPolarHBondContact O-CD2 3.42Å; L17-F21 PolarHBondContact O-N 3.41Å; L17-F21 VanDerWaalsContact O-N 3.11Å; D19-F21 VanDerWaalsContact C-N 3.29Å; D19-F21 PolarHBondContact O-N 3.15Å; F21-G25 PolarHBondContact O-N 3.1Å; F21-V26 PolarHBondContact O-N 2.7Å; F21-L28 HydrophobicContact CD1-CB 4.08Å; F21-L28 HydrophobicContact CD1-CD2 4.35Å; F21-L28 HydrophobicContact CE1-CB 4.43Å; F21-L28 HydrophobicContact CE1-CD2 3.85Å; F21-L28 HydrophobicContact CZ-CD2 4.47Å; F21-L30 HydrophobicContact CB-CD1 4.47Å; F21-L30 HydrophobicContact CD1-CD1 3.42Å; F21-L30 VanDerWaalsContact CD1-CD1 3.42Å; F21-L30 HydrophobicContact CD2-CD1 3.14Å; F21-L30 HydrophobicContact CE1-CD1 3.25Å; F21-L30 HydrophobicContact CE2-CD1 3Å; F21-L30 HydrophobicContact CE2-CG 4.39Å; F21-L30 HydrophobicContact CG-CD1 3.38Å; F21-L30 HydrophobicContact CZ-CD1 3.01Å; F21-L30 HydrophobicContact CZ-CG 4.36Å; F21-L301 HydrophobicContact CZ-CD2 4.24Å; F21-A728 HydrophobicContact CD1-CB 4.27Å; F21-A728 HydrophobicContact CE1-CB 4.14Å; F21-A732 HydrophobicContact CE1-CB 4.12Å; F21-A732 HydrophobicContact CE2-CB 3.48Å; F21-A732 VanDerWaalsContact CE2-CB 3.48Å; F21-A732 HydrophobicContact CZ-CB 3.12Å
22S69.4Low68.7Low56 Ų5640.1 Ų40.139%0.39224%0.239SC..Hα-helixtrans-67.3-40.3178.1-57.50000112Q18 D19 L24 G25Q18-S22 VanDerWaalsContact O-CB 3.29Å; Q18-S22 WeakPolarHBondContact O-CB 3.41Å; Q18-S22 PolarHBondContact O-N 2.95Å; Q18-S22 PolarHBondContact O-OG 2.88Å; D19-S22 PolarHBondContact O-N 3.49Å; S22-L24 VanDerWaalsContact C-N 3.32Å; S22-L24 PolarHBondContact O-N 3.41Å; S22-G25 PolarHBondContact O-N 3.16Å; S22-G25 VanDerWaalsContact O-N 3.16Å
23S65.2Low68.8Low88 Ų8838.1 Ų38.162%0.61523%0.226SC*.Hα-helixtrans-69.3-31.5-177.872.20000112.7D19 A20 G25D19-S23 WeakPolarHBondContact O-CB 3.41Å; D19-S23 PolarHBondContact O-N 3.43Å; D19-S23 PolarHBondContact O-OG 3.43Å; D19-S23 VanDerWaalsContact O-OG 3.08Å; A20-S23 PolarHBondContact O-OG 3.46Å; A20-S23 VanDerWaalsContact O-OG 3.05Å; S23-G25 PolarHBondContact O-N 2.99Å
24L62.4Low69.1Low48 Ų4839.5 Ų39.525%0.25123%0.232SC..THydrogen-bonded Turntrans-80.5-4.9175.9-64.8168.7000112.5A20 S22 V26 R724 A728A20-L24 WeakPolarHBondContact O-CB 3.38Å; A20-L24 WeakPolarHBondContact O-CD1 3.36Å; A20-L24 VanDerWaalsContact O-CG 3.23Å; A20-L24 WeakPolarHBondContact O-CG 3.34Å; A20-L24 PolarHBondContact O-N 3.26Å; S22-L24 VanDerWaalsContact C-N 3.32Å; S22-L24 PolarHBondContact O-N 3.41Å; L24-V26 HydrophobicContact CB-CG2 3.91Å; L24-V26 PolarHBondContact O-N 2.98Å; L24-V26 VanDerWaalsContact O-N 3.13Å; L24-R724 VanDerWaalsContact O-CD 3.28Å; L24-R724 WeakPolarHBondContact O-CD 3.47Å; L24-A728 HydrophobicContact CB-CB 4.3Å; L24-A728 HydrophobicContact CD1-CB 3.21Å; L24-A728 HydrophobicContact CG-CB 4.35Å
25G56Low69.8Low54 Ų5439.3 Ų39.356%0.55723%0.231SC*.THydrogen-bonded Turntrans59.424-179.200000112.6F21 S22 S23 P27F21-G25 PolarHBondContact O-N 3.1Å; S22-G25 PolarHBondContact O-N 3.16Å; S22-G25 VanDerWaalsContact O-N 3.16Å; S23-G25 PolarHBondContact O-N 2.99Å; G25-P27 WeakPolarHBondContact O-CD 3.35Å
26V55.9Low70.7Confident15 Ų1539 Ų399%0.09123%0.229CC..  trans-89.8115.9178.7-178.60000106.5F21 L24 L28 R724 V725 A728F21-V26 PolarHBondContact O-N 2.7Å; L24-V26 HydrophobicContact CB-CG2 3.91Å; L24-V26 PolarHBondContact O-N 2.98Å; L24-V26 VanDerWaalsContact O-N 3.13Å; V26-L28 HydrophobicContact CG1-CB 3.99Å; V26-L28 HydrophobicContact CG1-CD1 3.51Å; V26-L28 HydrophobicContact CG1-CG 4.38Å; V26-L28 PolarHBondContact O-N 3.39Å; V26-R724 HydrophobicContact CG2-CG 4.05Å; V26-V725 HydrophobicContact CG1-CG2 3.75Å; V26-V725 HydrophobicContact CG2-CG2 4.34Å; V26-A728 HydrophobicContact CG2-CB 4.14Å
27P49.8Very low71.5Confident110 Ų11034.5 Ų34.571%0.71421%0.213SC*.  trans-73.958.6169.233.6-34.3000108.3G25 N29G25-P27 WeakPolarHBondContact O-CD 3.35Å; P27-N29 PolarHBondContact O-N 3.48Å; P27-N29 VanDerWaalsContact O-N 3.09Å
28L48.9Very low72.3Confident39 Ų3934.5 Ų34.520%0.20421%0.213CC..  trans-71111.7167.1-131.182000104.1F21 V26 L30 L301 V725 M729F21-L28 HydrophobicContact CD1-CB 4.08Å; F21-L28 HydrophobicContact CD1-CD2 4.35Å; F21-L28 HydrophobicContact CE1-CB 4.43Å; F21-L28 HydrophobicContact CE1-CD2 3.85Å; F21-L28 HydrophobicContact CZ-CD2 4.47Å; V26-L28 HydrophobicContact CG1-CB 3.99Å; V26-L28 HydrophobicContact CG1-CD1 3.51Å; V26-L28 HydrophobicContact CG1-CG 4.38Å; V26-L28 PolarHBondContact O-N 3.39Å; L28-L30 HydrophobicContact CB-CD1 3.74Å; L28-L30 HydrophobicContact CB-CG 3.88Å; L28-L30 HydrophobicContact CD2-CD1 3.52Å; L28-L30 HydrophobicContact CD2-CD2 3.86Å; L28-L30 HydrophobicContact CD2-CG 3.58Å; L28-L30 HydrophobicContact CG-CD1 4.16Å; L28-L30 HydrophobicContact CG-CG 4.08Å; L28-L30 PolarHBondContact O-N 3.29Å; L28-L301 HydrophobicContact CD2-CD2 4.11Å; L28-V725 HydrophobicContact CD1-CG1 3.87Å; L28-M729 HydrophobicContact CD1-CE 4.04Å; L28-M729 HydrophobicContact CD2-CE 3.94Å; L28-M729 HydrophobicContact CD2-CG 4.4Å
29N55.9Low73.1Confident136 Ų13633.3 Ų33.373%0.72721%0.207SC*.  trans-63.868.1163-78.3-10000107.8P27 D31P27-N29 PolarHBondContact O-N 3.48Å; P27-N29 VanDerWaalsContact O-N 3.09Å; N29-D31 PolarHBondContact O-N 3.05Å
30L58.8Low74Confident26 Ų2632.9 Ų32.914%0.13621%0.207CC..  trans-80.6117.8171-79158.4000106.4F21 L28 L32 L297 L301F21-L30 HydrophobicContact CB-CD1 4.47Å; F21-L30 HydrophobicContact CD1-CD1 3.42Å; F21-L30 VanDerWaalsContact CD1-CD1 3.42Å; F21-L30 HydrophobicContact CD2-CD1 3.14Å; F21-L30 HydrophobicContact CE1-CD1 3.25Å; F21-L30 HydrophobicContact CE2-CD1 3Å; F21-L30 HydrophobicContact CE2-CG 4.39Å; F21-L30 HydrophobicContact CG-CD1 3.38Å; F21-L30 HydrophobicContact CZ-CD1 3.01Å; F21-L30 HydrophobicContact CZ-CG 4.36Å; L28-L30 HydrophobicContact CB-CD1 3.74Å; L28-L30 HydrophobicContact CB-CG 3.88Å; L28-L30 HydrophobicContact CD2-CD1 3.52Å; L28-L30 HydrophobicContact CD2-CD2 3.86Å; L28-L30 HydrophobicContact CD2-CG 3.58Å; L28-L30 HydrophobicContact CG-CD1 4.16Å; L28-L30 HydrophobicContact CG-CG 4.08Å; L28-L30 PolarHBondContact O-N 3.29Å; L30-L32 HydrophobicContact CB-CD2 4.22Å; L30-L32 HydrophobicContact CB-CG 3.96Å; L30-L32 PolarHBondContact O-N 3.49Å; L30-L297 HydrophobicContact CD2-CD1 3.66Å; L30-L301 HydrophobicContact CD2-CD1 4.41Å; L30-L301 HydrophobicContact CD2-CD2 3.67Å; L30-L301 HydrophobicContact CD2-CG 4.12Å
31D71Confident74.6Confident29 Ų2936.4 Ų36.416%0.15522%0.223CC..  trans-7060.9172.2-45.9-41.5000107.7N29 Q167 N169 K300N29-D31 PolarHBondContact O-N 3.05Å; D31-Q167 PolarHBondContact OD1-OE1 3.17Å; D31-N169 HydrophobicContact CB-CB 4.08Å; D31-N169 WeakPolarHBondContact O-CB 3.34Å; D31-N169 PolarHBondContact O-ND2 3.45Å; D31-K300 IonicContact OD2-NZ 3.19Å; D31-K300 PolarHBondContact OD2-NZ 2.69Å
32L78.8Confident75.2Confident13 Ų1340 Ų407%0.06825%0.25CS..  trans-64.8139.8178.6-69.7-178.6000108.2V14 L17 Q18 L30 Q34 L297V14-L32 HydrophobicContact CG1-CB 4.29Å; L17-L32 HydrophobicContact CB-CD1 4.44Å; L17-L32 HydrophobicContact CB-CD2 4.15Å; L17-L32 HydrophobicContact CD1-CD2 4.28Å; Q18-L32 HydrophobicContact CB-CD1 3.85Å; Q18-L32 HydrophobicContact CG-CD1 4.32Å; L30-L32 HydrophobicContact CB-CD2 4.22Å; L30-L32 HydrophobicContact CB-CG 3.96Å; L30-L32 PolarHBondContact O-N 3.49Å; L32-Q34 WeakPolarHBondContact O-CG 3.22Å; L32-Q34 PolarHBondContact O-N 3.21Å; L32-L297 HydrophobicContact CD2-CD2 3.71Å
33P82.5Confident76.2Confident3 Ų337.4 Ų37.42%0.01923%0.231CC..  trans-70.8120-178.4-11.827.8000109.8N169 I290 T293P33-N169 WeakPolarHBondContact CA-O 3.28Å; P33-I290 HydrophobicContact CB-CB 4.42Å; P33-I290 HydrophobicContact CB-CG1 3.76Å; P33-I290 HydrophobicContact CG-CG1 4.21Å; P33-T293 WeakPolarHBondContact CG-OG1 3.33Å
34Q88.2Confident77.4Confident28 Ų2833.8 Ų33.813%0.13121%0.208CC..EExtended strand (participates in β ladder)trans-150.4168.1-171.164.7-166.918.600111.5L32 I136 N169 C170 L171L32-Q34 WeakPolarHBondContact O-CG 3.22Å; L32-Q34 PolarHBondContact O-N 3.21Å; Q34-I136 HydrophobicContact CB-CD1 4.37Å; Q34-I136 HydrophobicContact CG-CD1 4.01Å; Q34-I136 VanDerWaalsContact NE2-CD1 3.3Å; Q34-N169 PolarHBondContact N-O 2.94Å; Q34-C170 HydrophobicContact CG-CB 4.4Å; Q34-L171 PolarHBondContact O-N 3.18Å
35I94.3Very high78.8Confident0 Ų032 Ų320%020%0.199CC..EExtended strand (participates in β ladder)trans-113.8120.5172.8-52.1-170.7000109.2L133 L135 I136 L171 L173 L282 L286I35-L133 HydrophobicContact CD1-CD1 4.22Å; I35-L135 HydrophobicContact CB-CD2 3.74Å; I35-L135 HydrophobicContact CD1-CD2 4.34Å; I35-L135 HydrophobicContact CG2-CD2 3.63Å; I35-L135 CarbonylContact O-C 3.08Å; I35-L135 WeakPolarHBondContact O-CA 3.37Å; I35-I136 PolarHBondContact O-N 3.33Å; I35-L171 CarbonylContact C-O 3.6Å; I35-L171 WeakPolarHBondContact CA-O 3.41Å; I35-L171 HydrophobicContact CD1-CD1 4.43Å; I35-L171 HydrophobicContact CG1-CB 4.12Å; I35-L171 HydrophobicContact CG1-CD1 4.19Å; I35-L173 HydrophobicContact CG2-CB 3.84Å; I35-L282 HydrophobicContact CD1-CB 3.99Å; I35-L282 HydrophobicContact CD1-CD2 4.06Å; I35-L282 HydrophobicContact CD1-CG 4.49Å; I35-L286 HydrophobicContact CD1-CB 4.04Å; I35-L286 HydrophobicContact CG1-CB 4.31Å; I35-L286 HydrophobicContact CG1-CD1 4.1Å; I35-L286 HydrophobicContact CG1-CD2 4.49Å
36A95.3Very high80.4Confident0 Ų030.6 Ų30.60%018%0.18CC..EExtended strand (participates in β ladder)trans-99.7130.2172.400000111.1L138 I165 C170 L171 L173A36-L138 HydrophobicContact CB-CD1 3.96Å; A36-I165 HydrophobicContact CB-CG2 3.95Å; A36-C170 WeakPolarHBondContact CB-SG 3.3Å; A36-L171 PolarHBondContact N-O 2.93Å; A36-L173 PolarHBondContact O-N 3.34Å
37V96.5Very high82.1Confident2 Ų230.9 Ų30.91%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-93.7116.4179.3-170.70000109.3K45 L49 L135 I136 L138 L173 V175V37-K45 HydrophobicContact CG1-CB 3.88Å; V37-L49 HydrophobicContact CG2-CD2 4.35Å; V37-L135 HydrophobicContact CG2-CD2 4.04Å; V37-I136 PolarHBondContact N-O 3.44Å; V37-L138 WeakPolarHBondContact O-CB 3.37Å; V37-L138 PolarHBondContact O-N 3.19Å; V37-L173 HydrophobicContact CG1-CD2 4.31Å; V37-L173 HydrophobicContact CG2-CB 4.33Å; V37-L173 HydrophobicContact CG2-CD2 3.95Å; V37-V175 HydrophobicContact CG1-CG2 3.68Å
38V95.7Very high84.1Confident1 Ų125.7 Ų25.71%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-117.4136.8-179.7-174.90000109.2L138 I161 I165 I172 L173 V175 A187 L190V38-L138 HydrophobicContact CG2-CD1 4.05Å; V38-I161 HydrophobicContact CG1-CG2 4.09Å; V38-I161 HydrophobicContact CG2-CG2 3.9Å; V38-I165 HydrophobicContact CG2-CG2 3.7Å; V38-I172 HydrophobicContact CG2-CG2 4.2Å; V38-L173 PolarHBondContact N-O 2.87Å; V38-V175 PolarHBondContact O-N 2.86Å; V38-A187 HydrophobicContact CG1-CB 4.19Å; V38-L190 HydrophobicContact CG1-CD1 4.06Å
39G93.6Very high86.2Confident0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-168.6157-178.700000111.2G140 M141G39-G140 VanDerWaalsContact O-CA 3.32Å; G39-G140 WeakPolarHBondContact O-CA 3.3Å; G39-M141 PolarHBondContact O-N 3.45Å; G39-M141 VanDerWaalsContact O-N 3.08Å
40S91.4Very high87.9Confident28 Ų2817.5 Ų17.520%0.19611%0.106CC..BIsolated β-bridgetrans-65.3160.4165.257.20000110.7S42 A43S40-S42 PolarHBondContact O-N 3.45Å; S40-A43 WeakPolarHBondContact O-CB 3.19Å; S40-A43 PolarHBondContact O-N 3.1Å; S40-A43 VanDerWaalsContact O-N 3.08Å
41Q86.1Confident89.4Confident77 Ų7716.9 Ų16.936%0.3610%0.102SC..THydrogen-bonded Turntrans-54.9132.9170.5-168.9-168.914.500109.5A43 G63 M141 T142Q41-A43 VanDerWaalsContact C-N 3.25Å; Q41-A43 PolarHBondContact O-N 3.11Å; Q41-G63 VanDerWaalsContact NE2-CA 3.27Å; Q41-G63 PolarHBondContact NE2-O 3.3Å; Q41-M141 WeakPolarHBondContact CB-O 3.31Å; Q41-M141 PolarHBondContact N-O 2.98Å; Q41-T142 HydrophobicContact CB-CG2 3.95Å; Q41-T142 HydrophobicContact CG-CG2 4.24Å
42S84.5Confident90.5Very high88 Ų8815.6 Ų15.662%0.61510%0.095SC*.THydrogen-bonded Turntrans66.715.9-177.7-500000115.7S40 G44 K207S40-S42 PolarHBondContact O-N 3.45Å; S42-G44 PolarHBondContact O-N 2.98Å; S42-K207 WeakPolarHBondContact O-CE 3.49Å; S42-K207 PolarHBondContact O-NZ 3.29Å
43A89.6Confident91.1Very high0 Ų015 Ų150%09%0.092CC..SBendtrans-66.6-11.6170.300000113.5S40 Q41 V175 T206S40-A43 WeakPolarHBondContact O-CB 3.19Å; S40-A43 PolarHBondContact O-N 3.1Å; S40-A43 VanDerWaalsContact O-N 3.08Å; Q41-A43 VanDerWaalsContact C-N 3.25Å; Q41-A43 PolarHBondContact O-N 3.11Å; A43-V175 HydrophobicContact CB-CG1 4.26Å; A43-T206 WeakPolarHBondContact O-CB 3.39Å; A43-T206 WeakPolarHBondContact O-CG2 3.28Å; A43-T206 PolarHBondContact O-OG1 2.91Å
44G89.8Confident91.3Very high13 Ų1316 Ų1613%0.13410%0.104CC..SBendtrans96.611.2179.700000114.9S42 S46 S47 V48S42-G44 PolarHBondContact O-N 2.98Å; G44-S46 PolarHBondContact O-N 3.23Å; G44-S47 WeakPolarHBondContact O-CB 3.43Å; G44-S47 PolarHBondContact O-N 2.79Å; G44-V48 WeakPolarHBondContact O-CG2 3.41Å; G44-V48 PolarHBondContact O-N 3.45Å
45K91.9Very high91.3Very high10 Ų1020.2 Ų20.24%0.04312%0.118CC..Hα-helixtrans-52.7-54.6178.114.9179.6-98.650.50113.2V37 S47 V48 L49 D137 L138V37-K45 HydrophobicContact CG1-CB 3.88Å; K45-S47 VanDerWaalsContact C-N 3.3Å; K45-S47 PolarHBondContact O-N 2.79Å; K45-V48 WeakPolarHBondContact O-CB 3.49Å; K45-V48 PolarHBondContact O-N 2.89Å; K45-V48 VanDerWaalsContact O-N 3.14Å; K45-L49 WeakPolarHBondContact O-CG 3.17Å; K45-L49 PolarHBondContact O-N 3.31Å; K45-L49 VanDerWaalsContact O-N 3.13Å; K45-D137 VanDerWaalsContact NZ-CG 3.32Å; K45-D137 IonicContact NZ-OD1 3.39Å; K45-D137 PolarHBondContact NZ-OD1 3.33Å; K45-D137 IonicContact NZ-OD2 3.35Å; K45-D137 PolarHBondContact NZ-OD2 2.6Å; K45-L138 WeakPolarHBondContact CE-O 3.48Å; K45-L138 PolarHBondContact NZ-O 2.73Å; K45-L138 VanDerWaalsContact NZ-O 3.1Å
46S90Very high91Very high24 Ų2422.1 Ų22.117%0.16813%0.128CC..Hα-helixtrans-61.1-38.4179-50.20000112.2G44 V48 L49 E50G44-S46 PolarHBondContact O-N 3.23Å; S46-V48 PolarHBondContact O-N 2.9Å; S46-L49 PolarHBondContact O-N 2.97Å; S46-E50 WeakPolarHBondContact O-CG 3.42Å; S46-E50 PolarHBondContact O-N 3.17Å
47S91.3Very high90.9Very high21 Ų2122.1 Ų22.115%0.14713%0.128CC..Hα-helixtrans-64.2-37.7176-58.10000113.1G44 K45 N51G44-S47 WeakPolarHBondContact O-CB 3.43Å; G44-S47 PolarHBondContact O-N 2.79Å; K45-S47 VanDerWaalsContact C-N 3.3Å; K45-S47 PolarHBondContact O-N 2.79Å; S47-N51 VanDerWaalsContact O-CG 3.27Å; S47-N51 PolarHBondContact O-N 2.71Å; S47-N51 PolarHBondContact O-ND2 3.27Å
48V92.5Very high90.6Very high2 Ų222.2 Ų22.21%0.01213%0.129CC..Hα-helixtrans-63.1-45.5174.31720000110.3G44 K45 S46 N51 F52 T206 V235 L278G44-V48 WeakPolarHBondContact O-CG2 3.41Å; G44-V48 PolarHBondContact O-N 3.45Å; K45-V48 WeakPolarHBondContact O-CB 3.49Å; K45-V48 PolarHBondContact O-N 2.89Å; K45-V48 VanDerWaalsContact O-N 3.14Å; S46-V48 PolarHBondContact O-N 2.9Å; V48-N51 PolarHBondContact O-N 2.86Å; V48-F52 HydrophobicContact CG1-CD2 4.44Å; V48-F52 HydrophobicContact CG1-CE1 3.89Å; V48-F52 HydrophobicContact CG1-CE2 3.75Å; V48-F52 HydrophobicContact CG1-CZ 3.42Å; V48-F52 VanDerWaalsContact CG1-CZ 3.42Å; V48-F52 WeakPolarHBondContact O-CG 3.49Å; V48-F52 PolarHBondContact O-N 2.68Å; V48-T206 HydrophobicContact CG2-CG2 4.26Å; V48-V235 HydrophobicContact CG2-CG2 4Å; V48-L278 HydrophobicContact CG1-CD2 3.9Å
49L92.4Very high90.2Very high2 Ų222.9 Ų22.91%0.0113%0.133CC..Hα-helixtrans-63.8-42.9179.2-63.4177.5000112.6V37 K45 S46 N51 F52 V53 L58 L72 L135 D137V37-L49 HydrophobicContact CG2-CD2 4.35Å; K45-L49 WeakPolarHBondContact O-CG 3.17Å; K45-L49 PolarHBondContact O-N 3.31Å; K45-L49 VanDerWaalsContact O-N 3.13Å; S46-L49 PolarHBondContact O-N 2.97Å; L49-N51 VanDerWaalsContact C-N 3.33Å; L49-N51 PolarHBondContact O-N 3.44Å; L49-F52 HydrophobicContact CD2-CD2 4.21Å; L49-F52 HydrophobicContact CD2-CE2 4.42Å; L49-F52 WeakPolarHBondContact O-CB 3.46Å; L49-F52 PolarHBondContact O-N 3.45Å; L49-V53 PolarHBondContact O-N 2.71Å; L49-V53 VanDerWaalsContact O-N 3.09Å; L49-L58 HydrophobicContact CB-CD1 4.01Å; L49-L58 HydrophobicContact CD1-CD1 4.17Å; L49-L72 HydrophobicContact CB-CD2 4.43Å; L49-L72 HydrophobicContact CD2-CD2 4.43Å; L49-L135 HydrophobicContact CD2-CB 4.28Å; L49-L135 HydrophobicContact CD2-CD1 3.67Å; L49-L135 HydrophobicContact CD2-CG 4.48Å; L49-D137 HydrophobicContact CD1-CB 3.48Å; L49-D137 VanDerWaalsContact CD1-CB 3.48Å; L49-D137 VanDerWaalsContact CD1-CG 3.49Å
50E92.1Very high89.5Confident1 Ų126.9 Ų26.91%0.00515%0.148CC..Hα-helixtrans-64.4-37175.7-73.9172.4135.200112.4S46 F52 V53 G54 R55 F57 L58 R60S46-E50 WeakPolarHBondContact O-CG 3.42Å; S46-E50 PolarHBondContact O-N 3.17Å; E50-F52 VanDerWaalsContact C-N 3.33Å; E50-V53 PolarHBondContact O-N 3.15Å; E50-G54 PolarHBondContact O-N 3.41Å; E50-R55 WeakPolarHBondContact CB-O 3Å; E50-R55 PolarHBondContact O-N 2.63Å; E50-F57 HydrophobicContact CG-CD1 3.96Å; E50-F57 HydrophobicContact CG-CE1 3.92Å; E50-F57 PolarHBondContact OE1-N 2.94Å; E50-L58 HydrophobicContact CG-CB 4.27Å; E50-L58 HydrophobicContact CG-CD1 4.13Å; E50-L58 HydrophobicContact CG-CG 4.14Å; E50-L58 PolarHBondContact OE1-N 3.46Å; E50-L58 VanDerWaalsContact OE1-N 3.13Å; E50-R60 IonicContact OE1-NH2 3.33Å; E50-R60 IonicContact OE2-CZ 3.48Å; E50-R60 VanDerWaalsContact OE2-CZ 3.32Å; E50-R60 IonicContact OE2-NH1 2.71Å; E50-R60 IonicContact OE2-NH2 3.32Å; E50-R60 PolarHBondContact OE2-NH2 2.73Å
51N91.1Very high88.7Confident12 Ų1228.2 Ų28.26%0.06417%0.166CC..Hα-helixtrans-67.4-33.2173.7-71.6-18.9000112.2S47 V48 L49 G54 N237 T275S47-N51 VanDerWaalsContact O-CG 3.27Å; S47-N51 PolarHBondContact O-N 2.71Å; S47-N51 PolarHBondContact O-ND2 3.27Å; V48-N51 PolarHBondContact O-N 2.86Å; L49-N51 VanDerWaalsContact C-N 3.33Å; L49-N51 PolarHBondContact O-N 3.44Å; N51-G54 PolarHBondContact O-N 2.9Å; N51-N237 PolarHBondContact ND2-OD1 3.32Å; N51-T275 HydrophobicContact CB-CG2 3.74Å
52F92.6Very high87.8Confident2 Ų230 Ų301%0.00919%0.187CC..Hα-helixtrans-65-39.3172.9-65.9-20.4000112.5V48 L49 E50 L74 L133 L135 T275 L278 Q279 L282V48-F52 HydrophobicContact CG1-CD2 4.44Å; V48-F52 HydrophobicContact CG1-CE1 3.89Å; V48-F52 HydrophobicContact CG1-CE2 3.75Å; V48-F52 HydrophobicContact CG1-CZ 3.42Å; V48-F52 VanDerWaalsContact CG1-CZ 3.42Å; V48-F52 WeakPolarHBondContact O-CG 3.49Å; V48-F52 PolarHBondContact O-N 2.68Å; L49-F52 HydrophobicContact CD2-CD2 4.21Å; L49-F52 HydrophobicContact CD2-CE2 4.42Å; L49-F52 WeakPolarHBondContact O-CB 3.46Å; L49-F52 PolarHBondContact O-N 3.45Å; E50-F52 VanDerWaalsContact C-N 3.33Å; F52-L74 HydrophobicContact CB-CD1 4.03Å; F52-L133 HydrophobicContact CD2-CD2 4.49Å; F52-L135 HydrophobicContact CD2-CD1 3.66Å; F52-L135 HydrophobicContact CE2-CD1 3.78Å; F52-T275 HydrophobicContact CD1-CG2 3.64Å; F52-T275 HydrophobicContact CE1-CG2 3.69Å; F52-L278 HydrophobicContact CE1-CB 4.35Å; F52-L278 HydrophobicContact CE1-CD2 4.01Å; F52-L278 HydrophobicContact CE1-CG 4.06Å; F52-L278 HydrophobicContact CZ-CD2 3.64Å; F52-L278 HydrophobicContact CZ-CG 3.75Å; F52-Q279 HydrophobicContact CD1-CB 3.8Å; F52-Q279 HydrophobicContact CD1-CG 4Å; F52-Q279 HydrophobicContact CE1-CB 3.84Å; F52-Q279 HydrophobicContact CE1-CG 4.42Å; F52-Q279 HydrophobicContact CG-CG 4.3Å; F52-Q279 PolarHBondContact O-NE2 3.29Å; F52-L282 HydrophobicContact CE2-CD1 3.76Å; F52-L282 HydrophobicContact CZ-CD1 3.69Å
53V91.3Very high87.3Confident1 Ų126.3 Ų26.31%0.00616%0.162CC..Hα-helixtrans-74.7-32.5177.3175.20000111.6L49 E50 R55 F57 L72 L74 F95 V125L49-V53 PolarHBondContact O-N 2.71Å; L49-V53 VanDerWaalsContact O-N 3.09Å; E50-V53 PolarHBondContact O-N 3.15Å; V53-R55 HydrophobicContact CG1-CB 3.98Å; V53-R55 HydrophobicContact CG1-CG 4.25Å; V53-F57 HydrophobicContact CB-CD1 4.22Å; V53-F57 HydrophobicContact CB-CE1 3.79Å; V53-F57 HydrophobicContact CG1-CD1 4.16Å; V53-F57 HydrophobicContact CG1-CE1 4.15Å; V53-F57 HydrophobicContact CG2-CD1 4.28Å; V53-F57 HydrophobicContact CG2-CE1 3.46Å; V53-F57 VanDerWaalsContact CG2-CE1 3.46Å; V53-F57 HydrophobicContact CG2-CZ 3.94Å; V53-L72 HydrophobicContact CG2-CD2 4.25Å; V53-L74 HydrophobicContact CG2-CD1 4.39Å; V53-L74 HydrophobicContact CG2-CD2 3.57Å; V53-F95 HydrophobicContact CG1-CE1 3.84Å; V53-F95 HydrophobicContact CG1-CZ 4.37Å; V53-V125 HydrophobicContact CG1-CG1 4Å
54G88.1Confident86.4Confident25 Ų2527 Ų2726%0.25817%0.166SC..THydrogen-bonded Turntrans78.820.8-171.600000113.4E50 N51 I249E50-G54 PolarHBondContact O-N 3.41Å; N51-G54 PolarHBondContact O-N 2.9Å; G54-I249 WeakPolarHBondContact O-CD1 3.49Å
55R88.2Confident85.9Confident116 Ų11628.7 Ų28.744%0.43817%0.174SC..SBendtrans-145.2152.1179-61.3-67.4-175.7-1753.2111.5E50 V53 F57 E80 F95E50-R55 WeakPolarHBondContact CB-O 3Å; E50-R55 PolarHBondContact O-N 2.63Å; V53-R55 HydrophobicContact CG1-CB 3.98Å; V53-R55 HydrophobicContact CG1-CG 4.25Å; R55-F57 WeakPolarHBondContact O-CD1 3.13Å; R55-E80 IonicContact CZ-OE2 3.23Å; R55-E80 IonicContact NE-OE2 3.18Å; R55-E80 PolarHBondContact NE-OE2 2.96Å; R55-E80 IonicContact NH2-OE2 2.97Å; R55-E80 PolarHBondContact NH2-OE2 3.26Å; R55-F95 HydrophobicContact CB-CB 4.17Å; R55-F95 HydrophobicContact CB-CD1 3.83Å; R55-F95 HydrophobicContact CB-CD2 4.15Å; R55-F95 HydrophobicContact CB-CE1 4.2Å; R55-F95 HydrophobicContact CB-CG 3.78Å; R55-F95 HydrophobicContact CG-CD1 4.18Å; R55-F95 HydrophobicContact CG-CD2 3.76Å; R55-F95 HydrophobicContact CG-CE1 4.2Å; R55-F95 HydrophobicContact CG-CE2 3.81Å; R55-F95 HydrophobicContact CG-CG 3.94Å; R55-F95 HydrophobicContact CG-CZ 4.02Å
56D88Confident85.6Confident40 Ų4029.3 Ų29.321%0.21418%0.178CC..  trans-86.6107.9170.1-69-61.7000109.2R60 R99 R238D56-R60 IonicContact OD1-NH2 3.15Å; D56-R60 PolarHBondContact OD1-NH2 3.35Å; D56-R99 PolarHBondContact O-NH2 3.03Å; D56-R238 VanDerWaalsContact CG-NH2 3.31Å; D56-R238 IonicContact OD1-CZ 2.89Å; D56-R238 IonicContact OD1-NH1 3.55Å; D56-R238 IonicContact OD1-NH2 3.02Å; D56-R238 PolarHBondContact OD1-NH2 3.3Å; D56-R238 IonicContact OD2-CZ 2.6Å; D56-R238 IonicContact OD2-NH1 3.61Å; D56-R238 PolarHBondContact OD2-NH1 3.35Å; D56-R238 IonicContact OD2-NH2 3.56Å; D56-R238 PolarHBondContact OD2-NH2 2.98Å
57F91.9Very high85.5Confident0 Ų029.6 Ų29.60%018%0.176CC..  trans-140-9.7-174.276.1-85.5000113.5E50 V53 R55 L70 L72 F95 V98 R99 I102 L123E50-F57 HydrophobicContact CG-CD1 3.96Å; E50-F57 HydrophobicContact CG-CE1 3.92Å; E50-F57 PolarHBondContact OE1-N 2.94Å; V53-F57 HydrophobicContact CB-CD1 4.22Å; V53-F57 HydrophobicContact CB-CE1 3.79Å; V53-F57 HydrophobicContact CG1-CD1 4.16Å; V53-F57 HydrophobicContact CG1-CE1 4.15Å; V53-F57 HydrophobicContact CG2-CD1 4.28Å; V53-F57 HydrophobicContact CG2-CE1 3.46Å; V53-F57 VanDerWaalsContact CG2-CE1 3.46Å; V53-F57 HydrophobicContact CG2-CZ 3.94Å; R55-F57 WeakPolarHBondContact O-CD1 3.13Å; F57-L70 HydrophobicContact CE2-CD2 4.41Å; F57-L72 HydrophobicContact CE2-CD1 4.21Å; F57-L72 HydrophobicContact CZ-CD1 4.08Å; F57-L72 HydrophobicContact CZ-CD2 3.88Å; F57-F95 HydrophobicContact CB-CB 4.01Å; F57-F95 HydrophobicContact CB-CD1 3.67Å; F57-F95 HydrophobicContact CB-CG 4.33Å; F57-F95 HydrophobicContact CG-CD1 4.22Å; F57-V98 HydrophobicContact CB-CB 4.48Å; F57-V98 HydrophobicContact CB-CG1 4.27Å; F57-V98 HydrophobicContact CD2-CG1 4.08Å; F57-R99 WeakPolarHBondContact O-CA 3.25Å; F57-R99 VanDerWaalsContact O-CB 3.29Å; F57-R99 WeakPolarHBondContact O-CB 3.42Å; F57-I102 HydrophobicContact CD2-CD1 4.11Å; F57-I102 HydrophobicContact CE2-CD1 4.47Å; F57-L123 HydrophobicContact CD2-CD2 4Å; F57-L123 HydrophobicContact CE2-CD2 3.75Å
58L91.2Very high85.5Confident4 Ų429 Ų292%0.02117%0.17CC..SBendtrans-87.8143.2176.5-66.8175.8000109.2L49 E50 L70 R99 I102L49-L58 HydrophobicContact CB-CD1 4.01Å; L49-L58 HydrophobicContact CD1-CD1 4.17Å; E50-L58 HydrophobicContact CG-CB 4.27Å; E50-L58 HydrophobicContact CG-CD1 4.13Å; E50-L58 HydrophobicContact CG-CG 4.14Å; E50-L58 PolarHBondContact OE1-N 3.46Å; E50-L58 VanDerWaalsContact OE1-N 3.13Å; L58-L70 HydrophobicContact CD2-CD2 3.49Å; L58-L70 VanDerWaalsContact CD2-CD2 3.49Å; L58-R99 PolarHBondContact O-NE 3.22Å; L58-I102 HydrophobicContact CD2-CD1 4.09Å
59P86.9Confident85.5Confident14 Ų1429 Ų299%0.09117%0.17CC..  trans-56.5154.6173.6-30.440.5000111.9V65 R99 I102 E103P59-V65 VanDerWaalsContact C-CG1 3.41Å; P59-V65 HydrophobicContact CB-CG1 3.5Å; P59-V65 VanDerWaalsContact CB-CG1 3.5Å; P59-V65 WeakPolarHBondContact O-CG1 3.22Å; P59-R99 HydrophobicContact CB-CG 4.4Å; P59-R99 HydrophobicContact CG-CG 4.01Å; P59-I102 HydrophobicContact CG-CB 4.22Å; P59-I102 HydrophobicContact CG-CG2 3.95Å; P59-E103 HydrophobicContact CB-CG 3.81Å; P59-E103 WeakPolarHBondContact CB-OE1 3.43Å; P59-E103 HydrophobicContact CG-CG 3.48Å; P59-E103 VanDerWaalsContact CG-CG 3.48Å
60R77.9Confident85.5Confident85 Ų8529.1 Ų29.132%0.32117%0.171SC..  trans-137.5138.4175.7-63.7-172.8-172.6-77.22.9110.1E50 D56E50-R60 IonicContact OE1-NH2 3.33Å; E50-R60 IonicContact OE2-CZ 3.48Å; E50-R60 VanDerWaalsContact OE2-CZ 3.32Å; E50-R60 IonicContact OE2-NH1 2.71Å; E50-R60 IonicContact OE2-NH2 3.32Å; E50-R60 PolarHBondContact OE2-NH2 2.73Å; D56-R60 IonicContact OD1-NH2 3.15Å; D56-R60 PolarHBondContact OD1-NH2 3.35Å
61G75.2Confident85.5Confident55 Ų5529.1 Ų29.157%0.56717%0.171SC*.  trans175.3178.8177.800000112.8V65G61-V65 WeakPolarHBondContact O-CG2 3.34Å
62S68.5Low85.6Confident116 Ų11628.6 Ų28.681%0.81117%0.168SC*.SBendtrans-78.6133.8171.457.20000111
63G72.7Confident85.5Confident9 Ų928.7 Ų28.79%0.09317%0.168CC..SBendtrans97.9-168.5-17900000113.2Q41 V65Q41-G63 VanDerWaalsContact NE2-CA 3.27Å; Q41-G63 PolarHBondContact NE2-O 3.3Å; G63-V65 PolarHBondContact O-N 3.45Å; G63-V65 VanDerWaalsContact O-N 3.09Å
64I70.5Confident85.6Confident16 Ų1628.6 Ų28.68%0.08217%0.168CC..  trans-72.7105.7179.7-59.5167.1000108.2T66 R67 P139 T142 Q149 I153 I157I64-T66 WeakPolarHBondContact CG2-O 3.38Å; I64-R67 HydrophobicContact CB-CG 4.44Å; I64-R67 HydrophobicContact CG2-CG 3.95Å; I64-R67 WeakPolarHBondContact O-CG 3.42Å; I64-P139 HydrophobicContact CG2-CB 4.5Å; I64-T142 HydrophobicContact CD1-CG2 4.13Å; I64-T142 HydrophobicContact CG1-CG2 3.58Å; I64-Q149 VanDerWaalsContact CG1-NE2 3.28Å; I64-I153 HydrophobicContact CD1-CD1 4.21Å; I64-I153 HydrophobicContact CD1-CG1 3.68Å; I64-I157 HydrophobicContact CD1-CD1 3.47Å; I64-I157 VanDerWaalsContact CD1-CD1 3.47Å; I64-I157 HydrophobicContact CD1-CG1 4.42Å; I64-I157 HydrophobicContact CG1-CD1 4.31Å
65V79.7Confident85.7Confident48 Ų4829 Ų2929%0.29116%0.164SC..SBendtrans-81.7-49.5-179.5-176.50000110.6P59 G61 G63 R67P59-V65 VanDerWaalsContact C-CG1 3.41Å; P59-V65 HydrophobicContact CB-CG1 3.5Å; P59-V65 VanDerWaalsContact CB-CG1 3.5Å; P59-V65 WeakPolarHBondContact O-CG1 3.22Å; G61-V65 WeakPolarHBondContact O-CG2 3.34Å; G63-V65 PolarHBondContact O-N 3.45Å; G63-V65 VanDerWaalsContact O-N 3.09Å; V65-R67 PolarHBondContact O-N 3.18Å
66T85.1Confident85.7Confident22 Ų2227.6 Ų27.614%0.13517%0.165CC..  trans-81.999172-49.40000109.2I64 R68 D137 P139I64-T66 WeakPolarHBondContact CG2-O 3.38Å; T66-R68 VanDerWaalsContact CG2-O 3.28Å; T66-R68 WeakPolarHBondContact CG2-O 3.42Å; T66-D137 PolarHBondContact OG1-OD2 2.77Å; T66-P139 WeakPolarHBondContact O-CA 3.45Å; T66-P139 WeakPolarHBondContact O-CB 3.45Å; T66-P139 WeakPolarHBondContact O-CG 3.45Å
67R88.3Confident85.8Confident30 Ų3027.3 Ų27.311%0.11317%0.166CC..  trans-98.5-10-180-66.5179.7-73164.4-3.8114.3I64 V65 T106 D107 T110 G111 G115 I116 S117I64-R67 HydrophobicContact CB-CG 4.44Å; I64-R67 HydrophobicContact CG2-CG 3.95Å; I64-R67 WeakPolarHBondContact O-CG 3.42Å; V65-R67 PolarHBondContact O-N 3.18Å; R67-T106 HydrophobicContact CB-CG2 3.79Å; R67-D107 IonicContact CZ-OD1 3.64Å; R67-D107 IonicContact NH1-OD1 2.84Å; R67-D107 PolarHBondContact NH1-OD1 3.16Å; R67-D107 IonicContact NH2-OD1 3.49Å; R67-D107 PolarHBondContact NH2-OD1 3.15Å; R67-D107 IonicContact NH2-OD2 2.69Å; R67-T110 PolarHBondContact NH1-OG1 2.93Å; R67-G111 PolarHBondContact NH1-O 3.1Å; R67-G115 WeakPolarHBondContact CD-O 3.41Å; R67-I116 HydrophobicContact CB-CG2 4.22Å; R67-I116 HydrophobicContact CG-CG2 4.47Å; R67-I116 VanDerWaalsContact O-CA 3.29Å; R67-I116 WeakPolarHBondContact O-CA 3.5Å; R67-I116 VanDerWaalsContact O-CB 3.3Å; R67-I116 WeakPolarHBondContact O-CB 3.32Å; R67-S117 PolarHBondContact O-N 3.3Å; R67-S117 VanDerWaalsContact O-N 3.14Å
68R91.3Very high85.7Confident10 Ų1038.4 Ų38.44%0.03821%0.208CC..SBendtrans-133.3147.3176.5-69.6173.764.7-173.1-5.5108.8T66 L70 E105 T106 T110 T119 P120 I121T66-R68 VanDerWaalsContact CG2-O 3.28Å; T66-R68 WeakPolarHBondContact CG2-O 3.42Å; R68-L70 PolarHBondContact O-N 2.78Å; R68-E105 PolarHBondContact NH1-O 3.38Å; R68-E105 IonicContact NH1-OE1 3.67Å; R68-E105 PolarHBondContact NH1-OE1 3.15Å; R68-E105 VanDerWaalsContact NH1-OE1 3.12Å; R68-T106 HydrophobicContact CG-CG2 4.3Å; R68-T110 HydrophobicContact CG-CG2 4.37Å; R68-T119 PolarHBondContact NE-O 2.96Å; R68-T119 PolarHBondContact NH2-O 2.93Å; R68-P120 PolarHBondContact NH2-O 2.94Å; R68-I121 HydrophobicContact CB-CD1 4.42Å; R68-I121 HydrophobicContact CB-CG1 4.45Å
69P92.8Very high85.7Confident0 Ų043.4 Ų43.40%024%0.235CC..  trans-56.7131.1170.9-2434.3000110.9S117 P120 I121 I136 D137 L138 M160 F164P69-S117 VanDerWaalsContact CD-O 3.23Å; P69-S117 WeakPolarHBondContact CD-O 3.35Å; P69-P120 HydrophobicContact CB-CB 4.23Å; P69-P120 CarbonylContact O-C 3.46Å; P69-P120 WeakPolarHBondContact O-CA 3.18Å; P69-I121 PolarHBondContact O-N 2.88Å; P69-I136 HydrophobicContact CB-CG2 4.17Å; P69-D137 WeakPolarHBondContact CA-O 3.42Å; P69-L138 HydrophobicContact CB-CD2 3.99Å; P69-L138 HydrophobicContact CG-CD2 4.16Å; P69-M160 HydrophobicContact CG-CG 4.34Å; P69-M160 HydrophobicContact CG-SD 3.84Å; P69-F164 HydrophobicContact CB-CE1 4.46Å; P69-F164 HydrophobicContact CB-CE2 4.11Å; P69-F164 HydrophobicContact CB-CZ 3.8Å; P69-F164 HydrophobicContact CG-CE2 3.55Å; P69-F164 HydrophobicContact CG-CZ 3.61Å
70L93Very high86Confident5 Ų545 Ų453%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-108.2109.5175.4179.169.7000109.5F57 L58 R68 L72 I102 I121 L123 I136 D137F57-L70 HydrophobicContact CE2-CD2 4.41Å; L58-L70 HydrophobicContact CD2-CD2 3.49Å; L58-L70 VanDerWaalsContact CD2-CD2 3.49Å; R68-L70 PolarHBondContact O-N 2.78Å; L70-L72 PolarHBondContact O-N 2.82Å; L70-I102 HydrophobicContact CD2-CD1 4.33Å; L70-I121 HydrophobicContact CD1-CB 3.88Å; L70-I121 HydrophobicContact CD1-CG2 3.85Å; L70-L123 HydrophobicContact CD1-CB 3.97Å; L70-L123 HydrophobicContact CD1-CD2 4.45Å; L70-I136 CarbonylContact O-C 3.54Å; L70-I136 WeakPolarHBondContact O-CA 3.48Å; L70-D137 HydrophobicContact CB-CB 4.2Å; L70-D137 PolarHBondContact N-O 2.64Å; L70-D137 PolarHBondContact O-N 3.13Å
71V92Very high86.8Confident2 Ų242.7 Ų42.71%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-80.8104170.8-177.80000107.7Q73 P120 I121 N122 L123 T134 I136V71-Q73 HydrophobicContact CG1-CG 4.35Å; V71-P120 HydrophobicContact CG2-CB 3.93Å; V71-I121 PolarHBondContact N-O 3.29Å; V71-N122 WeakPolarHBondContact CB-OD1 3.42Å; V71-L123 PolarHBondContact O-N 3.12Å; V71-T134 HydrophobicContact CG1-CG2 4.26Å; V71-I136 HydrophobicContact CG2-CD1 4.45Å; V71-I136 HydrophobicContact CG2-CG1 4.25Å
72L92.5Very high87.7Confident0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-100110.1179.7-178.964.8000110L49 V53 F57 L70 L74 L123 V125 T134 L135L49-L72 HydrophobicContact CB-CD2 4.43Å; L49-L72 HydrophobicContact CD2-CD2 4.43Å; V53-L72 HydrophobicContact CG2-CD2 4.25Å; F57-L72 HydrophobicContact CE2-CD1 4.21Å; F57-L72 HydrophobicContact CZ-CD1 4.08Å; F57-L72 HydrophobicContact CZ-CD2 3.88Å; L70-L72 PolarHBondContact O-N 2.82Å; L72-L74 HydrophobicContact CD1-CD2 3.87Å; L72-L74 HydrophobicContact CD2-CD2 3.99Å; L72-L74 HydrophobicContact CG-CD2 3.71Å; L72-L74 HydrophobicContact CG-CG 4.27Å; L72-L123 HydrophobicContact CD1-CB 4.5Å; L72-L123 HydrophobicContact CD1-CD2 3.92Å; L72-L123 HydrophobicContact CD1-CG 4.06Å; L72-V125 HydrophobicContact CD1-CG2 3.86Å; L72-T134 WeakPolarHBondContact O-CA 3.23Å; L72-L135 PolarHBondContact N-O 2.78Å; L72-L135 PolarHBondContact O-N 3.49Å
73Q90.9Very high88.9Confident4 Ų436.5 Ų36.52%0.01918%0.176CC..EExtended strand (participates in β ladder)trans-102.1106.4175.9-67.9179.2-1.100109.4N15 V71 L123 R124 V125 T134N15-Q73 VanDerWaalsContact CG-CD 3.44Å; N15-Q73 PolarHBondContact OD1-NE2 2.89Å; V71-Q73 HydrophobicContact CG1-CG 4.35Å; Q73-L123 PolarHBondContact N-O 2.89Å; Q73-R124 HydrophobicContact CB-CG 4.05Å; Q73-R124 CarbonylContact O-C 3.53Å; Q73-R124 WeakPolarHBondContact O-CA 3.43Å; Q73-V125 PolarHBondContact O-N 3.34Å; Q73-T134 HydrophobicContact CG-CG2 3.84Å
74L92.1Very high89.8Confident0 Ų036.1 Ų36.10%017%0.172CC..EExtended strand (participates in β ladder)trans-88.9129173.9-53.4-173.4000109.1F52 V53 L72 V125 V130 L131 N132 L133F52-L74 HydrophobicContact CB-CD1 4.03Å; V53-L74 HydrophobicContact CG2-CD1 4.39Å; V53-L74 HydrophobicContact CG2-CD2 3.57Å; L72-L74 HydrophobicContact CD1-CD2 3.87Å; L72-L74 HydrophobicContact CD2-CD2 3.99Å; L72-L74 HydrophobicContact CG-CD2 3.71Å; L72-L74 HydrophobicContact CG-CG 4.27Å; L74-V125 HydrophobicContact CD2-CB 3.89Å; L74-V125 HydrophobicContact CD2-CG2 4.33Å; L74-V130 HydrophobicContact CB-CB 4.15Å; L74-V130 HydrophobicContact CB-CG2 4.07Å; L74-V130 HydrophobicContact CD1-CB 4.45Å; L74-L131 WeakPolarHBondContact CB-O 3.2Å; L74-N132 CarbonylContact O-C 3.57Å; L74-N132 VanDerWaalsContact O-CA 3.26Å; L74-N132 WeakPolarHBondContact O-CA 3.34Å; L74-L133 HydrophobicContact CB-CB 4.38Å; L74-L133 WeakPolarHBondContact CB-O 3.4Å; L74-L133 HydrophobicContact CD1-CB 4.5Å; L74-L133 PolarHBondContact N-O 3.36Å; L74-L133 PolarHBondContact O-N 3.09Å
75I90Very high90.5Very high33 Ų3338.3 Ų38.317%0.16918%0.183CC..EExtended strand (participates in β ladder)trans-130.5121.6-177.2-58.2171.2000108.5S77 V125 Y126 S127 V130 N132I75-S77 PolarHBondContact O-N 2.94Å; I75-V125 PolarHBondContact N-O 2.93Å; I75-Y126 HydrophobicContact CB-CD1 3.84Å; I75-Y126 HydrophobicContact CB-CE1 3.99Å; I75-Y126 HydrophobicContact CD1-CD1 4.26Å; I75-Y126 HydrophobicContact CD1-CE1 3.58Å; I75-Y126 HydrophobicContact CD1-CE2 4.46Å; I75-Y126 HydrophobicContact CG1-CE1 4.37Å; I75-Y126 HydrophobicContact CG2-CD1 3.81Å; I75-Y126 HydrophobicContact CG2-CE1 3.84Å; I75-Y126 WeakPolarHBondContact O-CA 3.49Å; I75-S127 PolarHBondContact O-N 3.23Å; I75-S127 VanDerWaalsContact O-N 3.09Å; I75-V130 WeakPolarHBondContact O-CG2 3.43Å; I75-N132 WeakPolarHBondContact CA-OD1 3.43Å
76N89.6Confident90.8Very high87 Ų8739.3 Ų39.347%0.46519%0.185SC..EExtended strand (participates in β ladder)trans-67.1119174.4-169.1-74.4000109.3S127 P128 V130 N132N76-S127 WeakPolarHBondContact CA-O 3.46Å; N76-P128 PolarHBondContact ND2-O 3.29Å; N76-V130 WeakPolarHBondContact CB-O 3.33Å; N76-V130 PolarHBondContact ND2-O 2.97Å; N76-N132 PolarHBondContact N-OD1 3.08Å
77S89.1Confident90.8Very high33 Ų3339.5 Ų39.523%0.23119%0.187CC..  trans-147.8157.4-177.3-1760000110.6I75 N79 S127 P128I75-S77 PolarHBondContact O-N 2.94Å; S77-N79 VanDerWaalsContact C-N 3.28Å; S77-N79 PolarHBondContact O-N 3.28Å; S77-S127 PolarHBondContact N-O 3.27Å; S77-S127 CarbonylContact O-C 3.54Å; S77-P128 WeakPolarHBondContact O-CA 3.33Å; S77-P128 WeakPolarHBondContact O-CB 3.5Å; S77-P128 VanDerWaalsContact O-CD 3.26Å; S77-P128 WeakPolarHBondContact O-CD 3.44Å
78R90.1Very high90.3Very high233 Ų23345.9 Ų45.988%0.87922%0.215SC*.SBendtrans-66.8-32.2178.3-64.6-176.8-179.1-179.20.5112.6
79N92Very high89.7Confident109 Ų10952.7 Ų52.758%0.58325%0.252SS*.SBendtrans-103143.6-176.9-62.7-12.5000109.9S77 Y81 Y126S77-N79 VanDerWaalsContact C-N 3.28Å; S77-N79 PolarHBondContact O-N 3.28Å; N79-Y81 HydrophobicContact CB-CD1 4.14Å; N79-Y81 HydrophobicContact CB-CE1 4.26Å; N79-Y126 CarbonylContact O-C 3.47Å
80E92.9Very high89.6Confident47 Ų4757.5 Ų57.522%0.2227%0.273CS..  trans-100.3114.3177.1-173.3167.6-83.700111.1R55 F95 Y126 S127 N129R55-E80 IonicContact CZ-OE2 3.23Å; R55-E80 IonicContact NE-OE2 3.18Å; R55-E80 PolarHBondContact NE-OE2 2.96Å; R55-E80 IonicContact NH2-OE2 2.97Å; R55-E80 PolarHBondContact NH2-OE2 3.26Å; E80-F95 HydrophobicContact CG-CE2 3.96Å; E80-F95 HydrophobicContact CG-CZ 4.18Å; E80-Y126 CarbonylContact C-O 3.58Å; E80-Y126 WeakPolarHBondContact CA-O 3.46Å; E80-S127 PolarHBondContact OE1-OG 3.13Å; E80-N129 PolarHBondContact OE1-ND2 2.82Å
81Y94.4Very high89.5Confident37 Ų3763 Ų6315%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-162.7162.717566.1-85000110.7N79 Q91 F92 Y126N79-Y81 HydrophobicContact CB-CD1 4.14Å; N79-Y81 HydrophobicContact CB-CE1 4.26Å; Y81-Q91 HydrophobicContact CD2-CB 3.99Å; Y81-Q91 HydrophobicContact CD2-CG 3.7Å; Y81-Q91 HydrophobicContact CE2-CG 3.9Å; Y81-Q91 HydrophobicContact CG-CB 4.46Å; Y81-Q91 HydrophobicContact CG-CG 4.44Å; Y81-F92 CarbonylContact C-O 3.59Å; Y81-F92 WeakPolarHBondContact CA-O 3.42Å; Y81-Y126 HydrophobicContact CD1-CG 4.42Å; Y81-Y126 AromaticContact CD2-CD2 3.81Å; Y81-Y126 HydrophobicContact CD2-CD2 3.81Å; Y81-Y126 HydrophobicContact CD2-CE2 4.48Å; Y81-Y126 HydrophobicContact CD2-CG 4.5Å; Y81-Y126 HydrophobicContact CE1-CD1 4.49Å; Y81-Y126 HydrophobicContact CE1-CD2 4Å; Y81-Y126 AromaticContact CE1-CG 3.79Å; Y81-Y126 HydrophobicContact CE1-CG 3.79Å; Y81-Y126 AromaticContact CE2-CD2 3.19Å; Y81-Y126 HydrophobicContact CE2-CD2 3.19Å; Y81-Y126 AromaticContact CE2-CE2 3.58Å; Y81-Y126 HydrophobicContact CE2-CE2 3.58Å; Y81-Y126 AromaticContact CE2-CG 3.88Å; Y81-Y126 HydrophobicContact CE2-CG 3.88Å; Y81-Y126 HydrophobicContact CG-CD2 4.43Å; Y81-Y126 AromaticContact CZ-CD2 3.3Å; Y81-Y126 AromaticContact CZ-CE2 3.8Å; Y81-Y126 AromaticContact CZ-CG 3.48Å; Y81-Y126 VanDerWaalsContact CZ-CG 3.48Å; Y81-Y126 PolarHBondContact N-O 3.21Å; Y81-Y126 PolarHBondContact O-N 3.04Å
82A94.5Very high89.6Confident0 Ų063.3 Ų63.30%030%0.3CS..EExtended strand (participates in β ladder)trans-116.7151.5174.100000111.8F92 V98 L123 R124 V125A82-F92 HydrophobicContact CB-CB 4.26Å; A82-F92 PolarHBondContact N-O 3.04Å; A82-F92 PolarHBondContact O-N 3.47Å; A82-V98 HydrophobicContact CB-CG2 3.62Å; A82-L123 HydrophobicContact CB-CD1 3.97Å; A82-R124 CarbonylContact C-O 3.54Å; A82-R124 WeakPolarHBondContact CA-O 3.48Å; A82-V125 HydrophobicContact CB-CG2 4.29Å
83E93.1Very high89.6Confident42 Ų4268.5 Ų68.520%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-140134.7176.7-178.9175.8-164.500109.9R124E83-R124 HydrophobicContact CB-CB 4.47Å; E83-R124 PolarHBondContact N-O 3.29Å; E83-R124 PolarHBondContact O-N 2.92Å
84F91.5Very high89.7Confident1 Ų172 Ų720%0.00435%0.351CS..EExtended strand (participates in β ladder)trans-100.1139.1172.8-70.3-86.7000110.7H86 C87 F92 V98 E101 I102 I121 N122 L123F84-H86 WeakPolarHBondContact CB-CE1 3.29Å; F84-H86 WeakPolarHBondContact CB-ND1 3.44Å; F84-H86 AromaticContact CD1-CE1 3.4Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.16Å; F84-H86 AromaticContact CD1-ND1 3.94Å; F84-H86 AromaticContact CG-CE1 3.47Å; F84-H86 VanDerWaalsContact CG-CE1 3.47Å; F84-H86 WeakPolarHBondContact CG-CE1 3.36Å; F84-H86 PolarHBondContact O-N 3.45Å; F84-C87 HydrophobicContact CB-CB 4.15Å; F84-C87 CarbonylContact O-C 3.42Å; F84-C87 PolarHBondContact O-N 3.14Å; F84-F92 HydrophobicContact CD2-CD2 4.04Å; F84-F92 AromaticContact CD2-CE2 3.6Å; F84-F92 HydrophobicContact CD2-CE2 3.6Å; F84-F92 AromaticContact CD2-CZ 3.93Å; F84-F92 HydrophobicContact CD2-CZ 3.93Å; F84-F92 HydrophobicContact CE2-CD2 4.35Å; F84-F92 HydrophobicContact CE2-CE2 4.13Å; F84-F92 HydrophobicContact CE2-CZ 4.19Å; F84-V98 HydrophobicContact CE2-CG1 4.05Å; F84-V98 HydrophobicContact CZ-CG1 3.75Å; F84-E101 HydrophobicContact CD2-CB 4.38Å; F84-E101 HydrophobicContact CD2-CG 3.7Å; F84-E101 HydrophobicContact CE1-CG 4.44Å; F84-E101 HydrophobicContact CE2-CB 3.68Å; F84-E101 HydrophobicContact CE2-CG 3.48Å; F84-E101 VanDerWaalsContact CE2-CG 3.48Å; F84-E101 HydrophobicContact CG-CG 4.27Å; F84-E101 HydrophobicContact CZ-CB 3.95Å; F84-E101 HydrophobicContact CZ-CG 3.87Å; F84-I102 HydrophobicContact CE1-CG1 3.83Å; F84-I102 HydrophobicContact CZ-CD1 4.5Å; F84-I102 HydrophobicContact CZ-CG1 3.76Å; F84-I121 HydrophobicContact CD1-CG2 3.88Å; F84-I121 HydrophobicContact CE1-CG2 3.93Å; F84-N122 WeakPolarHBondContact CA-O 3.11Å; F84-L123 HydrophobicContact CD1-CB 4.19Å; F84-L123 HydrophobicContact CD1-CD1 4Å; F84-L123 HydrophobicContact CD2-CD1 4.26Å; F84-L123 HydrophobicContact CE1-CB 4.06Å; F84-L123 HydrophobicContact CE1-CD1 3.76Å; F84-L123 HydrophobicContact CE1-CD2 4.3Å; F84-L123 HydrophobicContact CE1-CG 4.26Å; F84-L123 HydrophobicContact CE2-CD1 4.02Å; F84-L123 HydrophobicContact CG-CD1 4.25Å; F84-L123 HydrophobicContact CZ-CD1 3.78Å; F84-L123 HydrophobicContact CZ-CD2 4.4Å
85L85.6Confident89.7Confident62 Ų6272.6 Ų72.633%0.32535%0.353SS..THydrogen-bonded Turntrans-61.1-32.7177.7-171.664.6000112.4C87 N122L85-C87 VanDerWaalsContact C-N 3.34Å; L85-N122 HydrophobicContact CB-CB 3.69Å; L85-N122 HydrophobicContact CD2-CB 4.01Å; L85-N122 PolarHBondContact N-O 2.86Å; L85-N122 VanDerWaalsContact N-O 3.07Å
86H85.8Confident89.8Confident69 Ų6974 Ų7432%0.31936%0.361SS..THydrogen-bonded Turntrans-79-14.4177.568-84.6000113.5F84 E101 E105F84-H86 WeakPolarHBondContact CB-CE1 3.29Å; F84-H86 WeakPolarHBondContact CB-ND1 3.44Å; F84-H86 AromaticContact CD1-CE1 3.4Å; F84-H86 WeakPolarHBondContact CD1-CE1 3.16Å; F84-H86 AromaticContact CD1-ND1 3.94Å; F84-H86 AromaticContact CG-CE1 3.47Å; F84-H86 VanDerWaalsContact CG-CE1 3.47Å; F84-H86 WeakPolarHBondContact CG-CE1 3.36Å; F84-H86 PolarHBondContact O-N 3.45Å; H86-E101 IonicContact CD2-OE1 2.59Å; H86-E101 IonicContact CE1-OE1 2.89Å; H86-E101 IonicContact NE2-OE1 3.13Å; H86-E101 PolarHBondContact NE2-OE1 3.48Å; H86-E105 IonicContact CD2-OE2 3.73Å; H86-E105 IonicContact NE2-OE2 2.75Å
87C86Confident90Very high26 Ų2673.5 Ų73.518%0.17636%0.356CS..SBendtrans-112.462.2174.2-690000111.1F84 L85 N89 K90 F92F84-C87 HydrophobicContact CB-CB 4.15Å; F84-C87 CarbonylContact O-C 3.42Å; F84-C87 PolarHBondContact O-N 3.14Å; L85-C87 VanDerWaalsContact C-N 3.34Å; C87-N89 PolarHBondContact O-N 3.48Å; C87-K90 HydrophobicContact CB-CB 4.07Å; C87-K90 HydrophobicContact CB-CD 4.38Å; C87-K90 WeakPolarHBondContact O-CB 3.49Å; C87-K90 PolarHBondContact O-N 3.33Å; C87-K90 VanDerWaalsContact O-N 3.07Å; C87-F92 HydrophobicContact CB-CE2 4.35Å
88K76.2Confident90.3Very high164 Ų16472 Ų7271%0.71335%0.345SS*.THydrogen-bonded Turntrans-48.5132.2-178.1-64-173.8179-176.90112.1K90K88-K90 PolarHBondContact O-N 3.24Å
89N78.9Confident90.4Very high153 Ų15363.6 Ų63.682%0.81831%0.314SS*.THydrogen-bonded Turntrans66.211178.7-50.5-46000115.8C87C87-N89 PolarHBondContact O-N 3.48Å
90K90.3Very high90.5Very high100 Ų10063.6 Ų63.644%0.43531%0.309SS..  trans-100.4112.3174.1-171.9179.7173.4-168.90109.8C87 K88 F92C87-K90 HydrophobicContact CB-CB 4.07Å; C87-K90 HydrophobicContact CB-CD 4.38Å; C87-K90 WeakPolarHBondContact O-CB 3.49Å; C87-K90 PolarHBondContact O-N 3.33Å; C87-K90 VanDerWaalsContact O-N 3.07Å; K88-K90 PolarHBondContact O-N 3.24Å; K90-F92 HydrophobicContact CB-CE2 4.16Å; K90-F92 HydrophobicContact CD-CE1 4.29Å; K90-F92 HydrophobicContact CD-CE2 3.7Å; K90-F92 HydrophobicContact CD-CZ 3.54Å; K90-F92 HydrophobicContact CG-CD2 4.26Å; K90-F92 HydrophobicContact CG-CE2 3.73Å; K90-F92 HydrophobicContact CG-CZ 4.09Å
91Q92.3Very high90.6Very high120 Ų12063 Ų6356%0.56131%0.306SS*.EExtended strand (participates in β ladder)trans-92.4129.1173.3-64.9-176.6-3.100110.2Y81Y81-Q91 HydrophobicContact CD2-CB 3.99Å; Y81-Q91 HydrophobicContact CD2-CG 3.7Å; Y81-Q91 HydrophobicContact CE2-CG 3.9Å; Y81-Q91 HydrophobicContact CG-CB 4.46Å; Y81-Q91 HydrophobicContact CG-CG 4.44Å
92F94.5Very high90.5Very high9 Ų961.9 Ų61.94%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-103.1115.4176.5-64.8-106.6000108.7Y81 A82 F84 C87 K90 E97 V98 E101Y81-F92 CarbonylContact C-O 3.59Å; Y81-F92 WeakPolarHBondContact CA-O 3.42Å; A82-F92 HydrophobicContact CB-CB 4.26Å; A82-F92 PolarHBondContact N-O 3.04Å; A82-F92 PolarHBondContact O-N 3.47Å; F84-F92 HydrophobicContact CD2-CD2 4.04Å; F84-F92 AromaticContact CD2-CE2 3.6Å; F84-F92 HydrophobicContact CD2-CE2 3.6Å; F84-F92 AromaticContact CD2-CZ 3.93Å; F84-F92 HydrophobicContact CD2-CZ 3.93Å; F84-F92 HydrophobicContact CE2-CD2 4.35Å; F84-F92 HydrophobicContact CE2-CE2 4.13Å; F84-F92 HydrophobicContact CE2-CZ 4.19Å; C87-F92 HydrophobicContact CB-CE2 4.35Å; K90-F92 HydrophobicContact CB-CE2 4.16Å; K90-F92 HydrophobicContact CD-CE1 4.29Å; K90-F92 HydrophobicContact CD-CE2 3.7Å; K90-F92 HydrophobicContact CD-CZ 3.54Å; K90-F92 HydrophobicContact CG-CD2 4.26Å; K90-F92 HydrophobicContact CG-CE2 3.73Å; K90-F92 HydrophobicContact CG-CZ 4.09Å; F92-E97 HydrophobicContact CD1-CB 4.01Å; F92-V98 HydrophobicContact CB-CG2 3.6Å; F92-V98 HydrophobicContact CD1-CG2 4.43Å; F92-V98 HydrophobicContact CG-CG2 4.18Å; F92-E101 HydrophobicContact CE1-CB 4.16Å; F92-E101 HydrophobicContact CE1-CG 4.35Å; F92-E101 HydrophobicContact CZ-CB 4.33Å; F92-E101 HydrophobicContact CZ-CG 4.01Å
93T92.1Very high90.4Very high109 Ų10965.5 Ų65.567%0.66932%0.319SS*.  trans-96-22.3174.451.30000112.3
94D92.5Very high90.3Very high79 Ų7966 Ų6642%0.42233%0.331SS..  trans-93.9116.8172.4-171.9-4.8000110.5D96 E97 V98D94-D96 VanDerWaalsContact C-N 3.28Å; D94-D96 PolarHBondContact O-N 3.18Å; D94-D96 WeakPolarHBondContact OD1-CB 3.43Å; D94-D96 PolarHBondContact OD1-N 2.89Å; D94-E97 HydrophobicContact CB-CB 4.33Å; D94-E97 HydrophobicContact CB-CG 4.06Å; D94-E97 WeakPolarHBondContact O-CB 3.37Å; D94-E97 PolarHBondContact O-N 3.09Å; D94-V98 PolarHBondContact O-N 3.45Å
95F92.1Very high90.2Very high11 Ų1167.3 Ų67.35%0.04834%0.336CS..Hα-helixtrans-75.7-15.7-179.8-77-97.7000113.2V53 R55 F57 E80 E97 V98 R99 V125V53-F95 HydrophobicContact CG1-CE1 3.84Å; V53-F95 HydrophobicContact CG1-CZ 4.37Å; R55-F95 HydrophobicContact CB-CB 4.17Å; R55-F95 HydrophobicContact CB-CD1 3.83Å; R55-F95 HydrophobicContact CB-CD2 4.15Å; R55-F95 HydrophobicContact CB-CE1 4.2Å; R55-F95 HydrophobicContact CB-CG 3.78Å; R55-F95 HydrophobicContact CG-CD1 4.18Å; R55-F95 HydrophobicContact CG-CD2 3.76Å; R55-F95 HydrophobicContact CG-CE1 4.2Å; R55-F95 HydrophobicContact CG-CE2 3.81Å; R55-F95 HydrophobicContact CG-CG 3.94Å; R55-F95 HydrophobicContact CG-CZ 4.02Å; F57-F95 HydrophobicContact CB-CB 4.01Å; F57-F95 HydrophobicContact CB-CD1 3.67Å; F57-F95 HydrophobicContact CB-CG 4.33Å; F57-F95 HydrophobicContact CG-CD1 4.22Å; E80-F95 HydrophobicContact CG-CE2 3.96Å; E80-F95 HydrophobicContact CG-CZ 4.18Å; F95-E97 VanDerWaalsContact C-N 3.31Å; F95-V98 HydrophobicContact CD1-CG2 4.33Å; F95-V98 WeakPolarHBondContact O-CB 3.2Å; F95-V98 PolarHBondContact O-N 3.07Å; F95-R99 PolarHBondContact O-N 3.33Å; F95-V125 HydrophobicContact CE1-CG1 3.89Å; F95-V125 HydrophobicContact CE1-CG2 4.37Å; F95-V125 HydrophobicContact CZ-CG1 3.88Å
96D91.4Very high90.5Very high62 Ų6264.7 Ų64.733%0.33232%0.323SS..Hα-helixtrans-70.2-32167.5-76.2-38.7000110.8D94 R99 K100D94-D96 VanDerWaalsContact C-N 3.28Å; D94-D96 PolarHBondContact O-N 3.18Å; D94-D96 WeakPolarHBondContact OD1-CB 3.43Å; D94-D96 PolarHBondContact OD1-N 2.89Å; D96-R99 WeakPolarHBondContact O-CB 3.12Å; D96-R99 PolarHBondContact O-N 3.41Å; D96-R99 IonicContact OD1-CZ 2.73Å; D96-R99 IonicContact OD1-NH1 3.75Å; D96-R99 PolarHBondContact OD1-NH1 3.45Å; D96-R99 IonicContact OD1-NH2 3.01Å; D96-R99 PolarHBondContact OD1-NH2 3.32Å; D96-K100 WeakPolarHBondContact O-CG 3.49Å; D96-K100 PolarHBondContact O-N 2.8Å; D96-K100 VanDerWaalsContact O-N 3.15Å
97E93.8Very high90.6Very high78 Ų7864.7 Ų64.736%0.36433%0.325SS..Hα-helixtrans-71.8-35.3171.5-67.2-62.6126.600111.9F92 D94 F95 R99 K100 E101F92-E97 HydrophobicContact CD1-CB 4.01Å; D94-E97 HydrophobicContact CB-CB 4.33Å; D94-E97 HydrophobicContact CB-CG 4.06Å; D94-E97 WeakPolarHBondContact O-CB 3.37Å; D94-E97 PolarHBondContact O-N 3.09Å; F95-E97 VanDerWaalsContact C-N 3.31Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 2.94Å; E97-K100 PolarHBondContact O-N 3.07Å; E97-K100 IonicContact OE1-NZ 3.57Å; E97-K100 PolarHBondContact OE1-NZ 3.24Å; E97-E101 WeakPolarHBondContact O-CB 3.35Å; E97-E101 PolarHBondContact O-N 3.41Å
98V95.2Very high90.8Very high0 Ų073.1 Ų73.10%035%0.353CS..Hα-helixtrans-58.7-44.2170.7178.30000110.4F57 A82 F84 F92 D94 F95 E101 I102 L123F57-V98 HydrophobicContact CB-CB 4.48Å; F57-V98 HydrophobicContact CB-CG1 4.27Å; F57-V98 HydrophobicContact CD2-CG1 4.08Å; A82-V98 HydrophobicContact CB-CG2 3.62Å; F84-V98 HydrophobicContact CE2-CG1 4.05Å; F84-V98 HydrophobicContact CZ-CG1 3.75Å; F92-V98 HydrophobicContact CB-CG2 3.6Å; F92-V98 HydrophobicContact CD1-CG2 4.43Å; F92-V98 HydrophobicContact CG-CG2 4.18Å; D94-V98 PolarHBondContact O-N 3.45Å; F95-V98 HydrophobicContact CD1-CG2 4.33Å; F95-V98 WeakPolarHBondContact O-CB 3.2Å; F95-V98 PolarHBondContact O-N 3.07Å; V98-E101 PolarHBondContact O-N 3.12Å; V98-I102 HydrophobicContact CG1-CD1 4.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.26Å; V98-I102 PolarHBondContact O-N 3.41Å; V98-I102 VanDerWaalsContact O-N 3.07Å; V98-L123 HydrophobicContact CG1-CD1 4.16Å; V98-L123 HydrophobicContact CG1-CD2 3.91Å
99R93.3Very high91.2Very high58 Ų5869.6 Ų69.622%0.21934%0.342CS..Hα-helixtrans-57.8-51176.4-172.6-171.6-61.2127.817.2111.9D56 F57 L58 P59 F95 D96 E97 E101 I102 E103D56-R99 PolarHBondContact O-NH2 3.03Å; F57-R99 WeakPolarHBondContact O-CA 3.25Å; F57-R99 VanDerWaalsContact O-CB 3.29Å; F57-R99 WeakPolarHBondContact O-CB 3.42Å; L58-R99 PolarHBondContact O-NE 3.22Å; P59-R99 HydrophobicContact CB-CG 4.4Å; P59-R99 HydrophobicContact CG-CG 4.01Å; F95-R99 PolarHBondContact O-N 3.33Å; D96-R99 WeakPolarHBondContact O-CB 3.12Å; D96-R99 PolarHBondContact O-N 3.41Å; D96-R99 IonicContact OD1-CZ 2.73Å; D96-R99 IonicContact OD1-NH1 3.75Å; D96-R99 PolarHBondContact OD1-NH1 3.45Å; D96-R99 IonicContact OD1-NH2 3.01Å; D96-R99 PolarHBondContact OD1-NH2 3.32Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 2.94Å; R99-E101 VanDerWaalsContact C-N 3.3Å; R99-E101 PolarHBondContact O-N 3.39Å; R99-I102 PolarHBondContact O-N 3.34Å; R99-E103 PolarHBondContact O-N 3.23Å
100K93.4Very high91.4Very high109 Ų10963.5 Ų63.547%0.47431%0.31SS..Hα-helixtrans-61.6-38.5179.9-68.7173.5-167.61670112D96 E97 E103 A104D96-K100 WeakPolarHBondContact O-CG 3.49Å; D96-K100 PolarHBondContact O-N 2.8Å; D96-K100 VanDerWaalsContact O-N 3.15Å; E97-K100 PolarHBondContact O-N 3.07Å; E97-K100 IonicContact OE1-NZ 3.57Å; E97-K100 PolarHBondContact OE1-NZ 3.24Å; K100-E103 PolarHBondContact O-N 2.79Å; K100-A104 VanDerWaalsContact O-CB 3.32Å; K100-A104 WeakPolarHBondContact O-CB 3.27Å; K100-A104 PolarHBondContact O-N 3.42Å
101E94.8Very high90.9Very high34 Ų3460.2 Ų60.216%0.15931%0.305CS..Hα-helixtrans-66.1-38.2177.8-175.763.2-141.800111.8F84 H86 F92 E97 V98 R99 E103 A104 E105F84-E101 HydrophobicContact CD2-CB 4.38Å; F84-E101 HydrophobicContact CD2-CG 3.7Å; F84-E101 HydrophobicContact CE1-CG 4.44Å; F84-E101 HydrophobicContact CE2-CB 3.68Å; F84-E101 HydrophobicContact CE2-CG 3.48Å; F84-E101 VanDerWaalsContact CE2-CG 3.48Å; F84-E101 HydrophobicContact CG-CG 4.27Å; F84-E101 HydrophobicContact CZ-CB 3.95Å; F84-E101 HydrophobicContact CZ-CG 3.87Å; H86-E101 IonicContact CD2-OE1 2.59Å; H86-E101 IonicContact CE1-OE1 2.89Å; H86-E101 IonicContact NE2-OE1 3.13Å; H86-E101 PolarHBondContact NE2-OE1 3.48Å; F92-E101 HydrophobicContact CE1-CB 4.16Å; F92-E101 HydrophobicContact CE1-CG 4.35Å; F92-E101 HydrophobicContact CZ-CB 4.33Å; F92-E101 HydrophobicContact CZ-CG 4.01Å; E97-E101 WeakPolarHBondContact O-CB 3.35Å; E97-E101 PolarHBondContact O-N 3.41Å; V98-E101 PolarHBondContact O-N 3.12Å; R99-E101 VanDerWaalsContact C-N 3.3Å; R99-E101 PolarHBondContact O-N 3.39Å; E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.82Å; E101-A104 PolarHBondContact O-N 3.19Å; E101-E105 VanDerWaalsContact O-CB 3.23Å; E101-E105 WeakPolarHBondContact O-CB 3.38Å; E101-E105 PolarHBondContact O-N 3.31Å
102I93.3Very high89.9Confident14 Ų1459.6 Ų59.67%0.07231%0.314CS..Hα-helixtrans-60.4-43.8173.8-66.4167.1000110.7F57 L58 P59 L70 F84 V98 R99 T106 I121 L123F57-I102 HydrophobicContact CD2-CD1 4.11Å; F57-I102 HydrophobicContact CE2-CD1 4.47Å; L58-I102 HydrophobicContact CD2-CD1 4.09Å; P59-I102 HydrophobicContact CG-CB 4.22Å; P59-I102 HydrophobicContact CG-CG2 3.95Å; L70-I102 HydrophobicContact CD2-CD1 4.33Å; F84-I102 HydrophobicContact CE1-CG1 3.83Å; F84-I102 HydrophobicContact CZ-CD1 4.5Å; F84-I102 HydrophobicContact CZ-CG1 3.76Å; V98-I102 HydrophobicContact CG1-CD1 4.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.26Å; V98-I102 PolarHBondContact O-N 3.41Å; V98-I102 VanDerWaalsContact O-N 3.07Å; R99-I102 PolarHBondContact O-N 3.34Å; I102-T106 VanDerWaalsContact O-CB 3.28Å; I102-T106 WeakPolarHBondContact O-CB 3.29Å; I102-T106 PolarHBondContact O-N 2.81Å; I102-T106 PolarHBondContact O-OG1 3.28Å; I102-I121 HydrophobicContact CG2-CD1 4.47Å; I102-L123 HydrophobicContact CD1-CD2 4.25Å
103E91.5Very high88.6Confident76 Ų7664.4 Ų64.436%0.35534%0.34SS..Hα-helixtrans-64.4-50.9177.2-66.1173.4157.600111P59 R99 K100 E101 E105 T106 D107P59-E103 HydrophobicContact CB-CG 3.81Å; P59-E103 WeakPolarHBondContact CB-OE1 3.43Å; P59-E103 HydrophobicContact CG-CG 3.48Å; P59-E103 VanDerWaalsContact CG-CG 3.48Å; R99-E103 PolarHBondContact O-N 3.23Å; K100-E103 PolarHBondContact O-N 2.79Å; E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.82Å; E103-E105 PolarHBondContact O-N 2.98Å; E103-T106 WeakPolarHBondContact O-CB 3.44Å; E103-T106 PolarHBondContact O-N 3.09Å; E103-D107 PolarHBondContact O-N 3.06Å
104A90.9Very high87.6Confident53 Ų5362.8 Ų62.844%0.43832%0.324SS..Hα-helixtrans-61-44.9-177.900000112.4K100 E101 T106 D107 R108K100-A104 VanDerWaalsContact O-CB 3.32Å; K100-A104 WeakPolarHBondContact O-CB 3.27Å; K100-A104 PolarHBondContact O-N 3.42Å; E101-A104 PolarHBondContact O-N 3.19Å; A104-T106 VanDerWaalsContact C-N 3.33Å; A104-D107 PolarHBondContact O-N 2.72Å; A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 PolarHBondContact O-N 3.17Å
105E91.1Very high87Confident27 Ų2759.9 Ų59.913%0.12631%0.312CS..Hα-helixtrans-70.6-30.6178.4179.353-151.700112R68 H86 E101 E103 R108 I121R68-E105 PolarHBondContact NH1-O 3.38Å; R68-E105 IonicContact NH1-OE1 3.67Å; R68-E105 PolarHBondContact NH1-OE1 3.15Å; R68-E105 VanDerWaalsContact NH1-OE1 3.12Å; H86-E105 IonicContact CD2-OE2 3.73Å; H86-E105 IonicContact NE2-OE2 2.75Å; E101-E105 VanDerWaalsContact O-CB 3.23Å; E101-E105 WeakPolarHBondContact O-CB 3.38Å; E101-E105 PolarHBondContact O-N 3.31Å; E103-E105 PolarHBondContact O-N 2.98Å; E105-R108 WeakPolarHBondContact OE2-CD 3.5Å; E105-R108 IonicContact OE2-NH1 2.72Å; E105-I121 HydrophobicContact CB-CD1 4.47Å; E105-I121 HydrophobicContact CG-CD1 4.25Å; E105-I121 HydrophobicContact CG-CG1 4.3Å
106T90.4Very high86.8Confident8 Ų860.5 Ų60.55%0.04932%0.316CS..Hα-helixtrans-65.1-51.5170.9-60.70000110.7R67 R68 I102 E103 A104 R108 L109 T110 I121R67-T106 HydrophobicContact CB-CG2 3.79Å; R68-T106 HydrophobicContact CG-CG2 4.3Å; I102-T106 VanDerWaalsContact O-CB 3.28Å; I102-T106 WeakPolarHBondContact O-CB 3.29Å; I102-T106 PolarHBondContact O-N 2.81Å; I102-T106 PolarHBondContact O-OG1 3.28Å; E103-T106 WeakPolarHBondContact O-CB 3.44Å; E103-T106 PolarHBondContact O-N 3.09Å; A104-T106 VanDerWaalsContact C-N 3.33Å; T106-R108 PolarHBondContact O-N 2.97Å; T106-L109 PolarHBondContact O-N 2.82Å; T106-T110 PolarHBondContact O-N 3.3Å; T106-T110 PolarHBondContact O-OG1 3.12Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.44Å
107D89.2Confident86.6Confident68 Ų6858.6 Ų58.636%0.36431%0.307SS..Hα-helixtrans-62.7-31.3179.3-75.7-29.1000112.7R67 E103 A104 L109 G111R67-D107 IonicContact CZ-OD1 3.64Å; R67-D107 IonicContact NH1-OD1 2.84Å; R67-D107 PolarHBondContact NH1-OD1 3.16Å; R67-D107 IonicContact NH2-OD1 3.49Å; R67-D107 PolarHBondContact NH2-OD1 3.15Å; R67-D107 IonicContact NH2-OD2 2.69Å; E103-D107 PolarHBondContact O-N 3.06Å; A104-D107 PolarHBondContact O-N 2.72Å; D107-L109 PolarHBondContact O-N 3.35Å; D107-G111 WeakPolarHBondContact O-CA 3.2Å; D107-G111 PolarHBondContact O-N 3.37Å
108R88.9Confident86.2Confident203 Ų20358.6 Ų58.677%0.76631%0.31SS*.Hα-helixtrans-58.5-34.2176.7-166.3178-168.2166.43.9112.9A104 E105 T106A104-R108 WeakPolarHBondContact O-CB 3.46Å; A104-R108 PolarHBondContact O-N 3.17Å; E105-R108 WeakPolarHBondContact OE2-CD 3.5Å; E105-R108 IonicContact OE2-NH1 2.72Å; T106-R108 PolarHBondContact O-N 2.97Å
109L84.9Confident85.9Confident90 Ų9061.9 Ų61.947%0.47133%0.33SS..Hα-helixtrans-101-42.5-177.2-17066.7000113.1T106 D107 S117 T119T106-L109 PolarHBondContact O-N 2.82Å; D107-L109 PolarHBondContact O-N 3.35Å; L109-S117 WeakPolarHBondContact CD2-OG 3.48Å; L109-T119 HydrophobicContact CD2-CG2 4.17Å
110T83.6Confident85.7Confident25 Ų2561.3 Ų61.315%0.15333%0.334CS..Hα-helixtrans-89.6-10-177.262.10000113.2R67 R68 T106R67-T110 PolarHBondContact NH1-OG1 2.93Å; R68-T110 HydrophobicContact CG-CG2 4.37Å; T106-T110 PolarHBondContact O-N 3.3Å; T106-T110 PolarHBondContact O-OG1 3.12Å
111G80Confident85.5Confident31 Ų3156.4 Ų56.432%0.3231%0.312SS..  trans69.6-173.5-170.400000112.8R67 D107 N113R67-G111 PolarHBondContact NH1-O 3.1Å; D107-G111 WeakPolarHBondContact O-CA 3.2Å; D107-G111 PolarHBondContact O-N 3.37Å; G111-N113 PolarHBondContact O-N 2.74Å
112S71.1Confident85.3Confident107 Ų10755.9 Ų55.975%0.74831%0.311SS*.SBendtrans-72.4-15.3174500000113.4K114S112-K114 PolarHBondContact O-N 3.45Å
113N67.3Low85.3Confident110 Ų11055.3 Ų55.359%0.58831%0.308SS*.SBendtrans-64.5132.3169.5-64.5-16.2000107.6G111 G115G111-N113 PolarHBondContact O-N 2.74Å; N113-G115 PolarHBondContact O-N 3.23Å
114K69.9Low85.3Confident76 Ų7653.9 Ų53.933%0.3330%0.299SS..  trans-71.932.7-178-64.4-174.8-179-1800113.3S112 Q149S112-K114 PolarHBondContact O-N 3.45Å; K114-Q149 HydrophobicContact CB-CG 3.77Å
115G81.4Confident85.4Confident17 Ų1751.3 Ų51.318%0.17528%0.278CS..  trans-73174.1174.900000112.5R67 N113R67-G115 WeakPolarHBondContact CD-O 3.41Å; N113-G115 PolarHBondContact O-N 3.23Å
116I86.9Confident85.6Confident25 Ų2551.9 Ų51.913%0.12828%0.279CS..  trans-121160.3-177.664.4175.8000110.5R67 I153 Q156 I157 M160R67-I116 HydrophobicContact CB-CG2 4.22Å; R67-I116 HydrophobicContact CG-CG2 4.47Å; R67-I116 VanDerWaalsContact O-CA 3.29Å; R67-I116 WeakPolarHBondContact O-CA 3.5Å; R67-I116 VanDerWaalsContact O-CB 3.3Å; R67-I116 WeakPolarHBondContact O-CB 3.32Å; I116-I153 HydrophobicContact CD1-CD1 4.11Å; I116-I153 HydrophobicContact CG1-CD1 4.14Å; I116-I153 HydrophobicContact CG2-CD1 3.91Å; I116-Q156 HydrophobicContact CD1-CB 3.55Å; I116-Q156 HydrophobicContact CG1-CB 4.18Å; I116-I157 HydrophobicContact CD1-CB 4.36Å; I116-I157 HydrophobicContact CD1-CG1 3.71Å; I116-M160 HydrophobicContact CB-CE 3.87Å; I116-M160 HydrophobicContact CD1-CE 3.56Å; I116-M160 HydrophobicContact CG1-CE 3.72Å
117S88.2Confident85.7Confident21 Ų2151.5 Ų51.515%0.14728%0.277CS..  trans-139.7140.6173.2168.40000110.4R67 P69 L109 T119 M160R67-S117 PolarHBondContact O-N 3.3Å; R67-S117 VanDerWaalsContact O-N 3.14Å; P69-S117 VanDerWaalsContact CD-O 3.23Å; P69-S117 WeakPolarHBondContact CD-O 3.35Å; L109-S117 WeakPolarHBondContact CD2-OG 3.48Å; S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 PolarHBondContact OG-N 3.31Å; S117-T119 PolarHBondContact OG-OG1 2.63Å; S117-M160 VanDerWaalsContact O-CE 3.28Å; S117-M160 WeakPolarHBondContact O-CE 3.47Å
118N85.6Confident85.7Confident79 Ų7951.3 Ų51.342%0.42228%0.28SS..SBendtrans-78.4-6.3177.763.8-7.5000112.8P120 M160 E163N118-P120 WeakPolarHBondContact O-CD 3.34Å; N118-M160 HydrophobicContact CB-CE 4.24Å; N118-M160 HydrophobicContact CB-CG 4.27Å; N118-E163 PolarHBondContact ND2-OE2 2.87Å
119T87.7Confident85.5Confident68 Ų6846.5 Ų46.542%0.41727%0.269SS..SBendtrans-73.5115.8177.6-54.70000110.2R68 L109 S117R68-T119 PolarHBondContact NE-O 2.96Å; R68-T119 PolarHBondContact NH2-O 2.93Å; L109-T119 HydrophobicContact CD2-CG2 4.17Å; S117-T119 PolarHBondContact O-N 3.08Å; S117-T119 PolarHBondContact OG-N 3.31Å; S117-T119 PolarHBondContact OG-OG1 2.63Å
120P89Confident85.8Confident47 Ų4742.2 Ų42.231%0.30525%0.247SC..  trans-72156.6-173.228.1-34.3000113.3R68 P69 V71 N118R68-P120 PolarHBondContact NH2-O 2.94Å; P69-P120 HydrophobicContact CB-CB 4.23Å; P69-P120 CarbonylContact O-C 3.46Å; P69-P120 WeakPolarHBondContact O-CA 3.18Å; V71-P120 HydrophobicContact CG2-CB 3.93Å; N118-P120 WeakPolarHBondContact O-CD 3.34Å
121I90.8Very high85.9Confident5 Ų543.9 Ų43.93%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-99.7129.5163.9-59.2174.3000107.3R68 P69 L70 V71 F84 I102 E105 T106R68-I121 HydrophobicContact CB-CD1 4.42Å; R68-I121 HydrophobicContact CB-CG1 4.45Å; P69-I121 PolarHBondContact O-N 2.88Å; L70-I121 HydrophobicContact CD1-CB 3.88Å; L70-I121 HydrophobicContact CD1-CG2 3.85Å; V71-I121 PolarHBondContact N-O 3.29Å; F84-I121 HydrophobicContact CD1-CG2 3.88Å; F84-I121 HydrophobicContact CE1-CG2 3.93Å; I102-I121 HydrophobicContact CG2-CD1 4.47Å; E105-I121 HydrophobicContact CB-CD1 4.47Å; E105-I121 HydrophobicContact CG-CD1 4.25Å; E105-I121 HydrophobicContact CG-CG1 4.3Å; T106-I121 WeakPolarHBondContact OG1-CD1 3.44Å
122N90.6Very high86.2Confident24 Ų2444.1 Ų44.113%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-104.7115.3179.8-71.3-82.1000110V71 F84 L85V71-N122 WeakPolarHBondContact CB-OD1 3.42Å; F84-N122 WeakPolarHBondContact CA-O 3.11Å; L85-N122 HydrophobicContact CB-CB 3.69Å; L85-N122 HydrophobicContact CD2-CB 4.01Å; L85-N122 PolarHBondContact N-O 2.86Å; L85-N122 VanDerWaalsContact N-O 3.07Å
123L92.4Very high87.1Confident1 Ų139 Ų391%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-122.6124.6-177.5173.859.7000110.4F57 L70 V71 L72 Q73 A82 F84 V98 I102 V125F57-L123 HydrophobicContact CD2-CD2 4Å; F57-L123 HydrophobicContact CE2-CD2 3.75Å; L70-L123 HydrophobicContact CD1-CB 3.97Å; L70-L123 HydrophobicContact CD1-CD2 4.45Å; V71-L123 PolarHBondContact O-N 3.12Å; L72-L123 HydrophobicContact CD1-CB 4.5Å; L72-L123 HydrophobicContact CD1-CD2 3.92Å; L72-L123 HydrophobicContact CD1-CG 4.06Å; Q73-L123 PolarHBondContact N-O 2.89Å; A82-L123 HydrophobicContact CB-CD1 3.97Å; F84-L123 HydrophobicContact CD1-CB 4.19Å; F84-L123 HydrophobicContact CD1-CD1 4Å; F84-L123 HydrophobicContact CD2-CD1 4.26Å; F84-L123 HydrophobicContact CE1-CB 4.06Å; F84-L123 HydrophobicContact CE1-CD1 3.76Å; F84-L123 HydrophobicContact CE1-CD2 4.3Å; F84-L123 HydrophobicContact CE1-CG 4.26Å; F84-L123 HydrophobicContact CE2-CD1 4.02Å; F84-L123 HydrophobicContact CG-CD1 4.25Å; F84-L123 HydrophobicContact CZ-CD1 3.78Å; F84-L123 HydrophobicContact CZ-CD2 4.4Å; V98-L123 HydrophobicContact CG1-CD1 4.16Å; V98-L123 HydrophobicContact CG1-CD2 3.91Å; I102-L123 HydrophobicContact CD1-CD2 4.25Å; L123-V125 HydrophobicContact CD1-CG2 4.47Å; L123-V125 HydrophobicContact CD2-CG2 4.41Å; L123-V125 HydrophobicContact CG-CG2 4.16Å
124R91.5Very high88.1Confident46 Ų4634.1 Ų34.117%0.17419%0.187CC..EExtended strand (participates in β ladder)trans-101.1133.3170.8-72178.5167.71557.4110.1D19 Q73 A82 E83 Y126D19-R124 IonicContact OD1-CZ 3.35Å; D19-R124 IonicContact OD1-NH1 2.91Å; D19-R124 IonicContact OD1-NH2 3.17Å; D19-R124 PolarHBondContact OD1-NH2 3.49Å; D19-R124 IonicContact OD2-CZ 3.15Å; D19-R124 IonicContact OD2-NH1 2.64Å; D19-R124 PolarHBondContact OD2-NH1 3.09Å; D19-R124 IonicContact OD2-NH2 3.99Å; D19-R124 PolarHBondContact OD2-NH2 3Å; Q73-R124 HydrophobicContact CB-CG 4.05Å; Q73-R124 CarbonylContact O-C 3.53Å; Q73-R124 WeakPolarHBondContact O-CA 3.43Å; A82-R124 CarbonylContact C-O 3.54Å; A82-R124 WeakPolarHBondContact CA-O 3.48Å; E83-R124 HydrophobicContact CB-CB 4.47Å; E83-R124 PolarHBondContact N-O 3.29Å; E83-R124 PolarHBondContact O-N 2.92Å; R124-Y126 HydrophobicContact CB-CD2 4.43Å; R124-Y126 HydrophobicContact CB-CE2 3.79Å
125V94Very high89.1Confident0 Ų030.5 Ų30.50%017%0.171CC..EExtended strand (participates in β ladder)trans-123115172-177.50000108.8V53 L72 Q73 L74 I75 A82 F95 L123V53-V125 HydrophobicContact CG1-CG1 4Å; L72-V125 HydrophobicContact CD1-CG2 3.86Å; Q73-V125 PolarHBondContact O-N 3.34Å; L74-V125 HydrophobicContact CD2-CB 3.89Å; L74-V125 HydrophobicContact CD2-CG2 4.33Å; I75-V125 PolarHBondContact N-O 2.93Å; A82-V125 HydrophobicContact CB-CG2 4.29Å; F95-V125 HydrophobicContact CE1-CG1 3.89Å; F95-V125 HydrophobicContact CE1-CG2 4.37Å; F95-V125 HydrophobicContact CZ-CG1 3.88Å; L123-V125 HydrophobicContact CD1-CG2 4.47Å; L123-V125 HydrophobicContact CD2-CG2 4.41Å; L123-V125 HydrophobicContact CG-CG2 4.16Å
126Y93.4Very high89.7Confident38 Ų3829.8 Ų29.815%0.14916%0.163CC..EExtended strand (participates in β ladder)trans-92.6128.2171.8-62.7-92.3000107.5I75 N79 E80 Y81 R124I75-Y126 HydrophobicContact CB-CD1 3.84Å; I75-Y126 HydrophobicContact CB-CE1 3.99Å; I75-Y126 HydrophobicContact CD1-CD1 4.26Å; I75-Y126 HydrophobicContact CD1-CE1 3.58Å; I75-Y126 HydrophobicContact CD1-CE2 4.46Å; I75-Y126 HydrophobicContact CG1-CE1 4.37Å; I75-Y126 HydrophobicContact CG2-CD1 3.81Å; I75-Y126 HydrophobicContact CG2-CE1 3.84Å; I75-Y126 WeakPolarHBondContact O-CA 3.49Å; N79-Y126 CarbonylContact O-C 3.47Å; E80-Y126 CarbonylContact C-O 3.58Å; E80-Y126 WeakPolarHBondContact CA-O 3.46Å; Y81-Y126 HydrophobicContact CD1-CG 4.42Å; Y81-Y126 AromaticContact CD2-CD2 3.81Å; Y81-Y126 HydrophobicContact CD2-CD2 3.81Å; Y81-Y126 HydrophobicContact CD2-CE2 4.48Å; Y81-Y126 HydrophobicContact CD2-CG 4.5Å; Y81-Y126 HydrophobicContact CE1-CD1 4.49Å; Y81-Y126 HydrophobicContact CE1-CD2 4Å; Y81-Y126 AromaticContact CE1-CG 3.79Å; Y81-Y126 HydrophobicContact CE1-CG 3.79Å; Y81-Y126 AromaticContact CE2-CD2 3.19Å; Y81-Y126 HydrophobicContact CE2-CD2 3.19Å; Y81-Y126 AromaticContact CE2-CE2 3.58Å; Y81-Y126 HydrophobicContact CE2-CE2 3.58Å; Y81-Y126 AromaticContact CE2-CG 3.88Å; Y81-Y126 HydrophobicContact CE2-CG 3.88Å; Y81-Y126 HydrophobicContact CG-CD2 4.43Å; Y81-Y126 AromaticContact CZ-CD2 3.3Å; Y81-Y126 AromaticContact CZ-CE2 3.8Å; Y81-Y126 AromaticContact CZ-CG 3.48Å; Y81-Y126 VanDerWaalsContact CZ-CG 3.48Å; Y81-Y126 PolarHBondContact N-O 3.21Å; Y81-Y126 PolarHBondContact O-N 3.04Å; R124-Y126 HydrophobicContact CB-CD2 4.43Å; R124-Y126 HydrophobicContact CB-CE2 3.79Å
127S93Very high90Very high0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-162.1150.1175175.20000111I75 N76 S77 E80 N129 V130I75-S127 PolarHBondContact O-N 3.23Å; I75-S127 VanDerWaalsContact O-N 3.09Å; N76-S127 WeakPolarHBondContact CA-O 3.46Å; S77-S127 PolarHBondContact N-O 3.27Å; S77-S127 CarbonylContact O-C 3.54Å; E80-S127 PolarHBondContact OE1-OG 3.13Å; S127-N129 PolarHBondContact O-N 3.13Å; S127-N129 PolarHBondContact OG-N 3.16Å; S127-N129 VanDerWaalsContact OG-N 3.12Å; S127-V130 WeakPolarHBondContact O-CG2 3.46Å
128P89.1Confident90.4Very high65 Ų6527.6 Ų27.642%0.42215%0.15SC..THydrogen-bonded Turntrans-73.2-15.1172.528.4-34.8000112.2N76 S77N76-P128 PolarHBondContact ND2-O 3.29Å; S77-P128 WeakPolarHBondContact O-CA 3.33Å; S77-P128 WeakPolarHBondContact O-CB 3.5Å; S77-P128 VanDerWaalsContact O-CD 3.26Å; S77-P128 WeakPolarHBondContact O-CD 3.44Å
129N86.3Confident90.6Very high101 Ų10123.9 Ų23.954%0.5413%0.13SC..THydrogen-bonded Turntrans-93.3-2.3-174.8-55.4-54000113.3E80 S127E80-N129 PolarHBondContact OE1-ND2 2.82Å; S127-N129 PolarHBondContact O-N 3.13Å; S127-N129 PolarHBondContact OG-N 3.16Å; S127-N129 VanDerWaalsContact OG-N 3.12Å
130V89.4Confident90.7Very high1 Ų120.9 Ų20.91%0.00611%0.113CC..  trans-109.9150.7-178.2-55.80000111.4L74 I75 N76 S127L74-V130 HydrophobicContact CB-CB 4.15Å; L74-V130 HydrophobicContact CB-CG2 4.07Å; L74-V130 HydrophobicContact CD1-CB 4.45Å; I75-V130 WeakPolarHBondContact O-CG2 3.43Å; N76-V130 WeakPolarHBondContact CB-O 3.33Å; N76-V130 PolarHBondContact ND2-O 2.97Å; S127-V130 WeakPolarHBondContact O-CG2 3.46Å
131L87Confident90.7Very high60 Ų6019.6 Ų19.631%0.31410%0.103SC..  trans-88.2152.9164.9-61.3-179.9000109.8L74 L133 Q279 N283L74-L131 WeakPolarHBondContact CB-O 3.2Å; L131-L133 PolarHBondContact O-N 3.13Å; L131-Q279 HydrophobicContact CB-CG 4.47Å; L131-Q279 HydrophobicContact CD1-CG 4.22Å; L131-Q279 HydrophobicContact CG-CG 4.48Å; L131-N283 HydrophobicContact CB-CB 4.46Å; L131-N283 HydrophobicContact CD1-CB 4.34Å
132N86Confident90.2Very high36 Ų3619.6 Ų19.619%0.19310%0.104CC..SBendtrans-59.3113.4172.6-70.7-21000109I11 L74 I75 N76 N283I11-N132 HydrophobicContact CB-CB 4.48Å; I11-N132 HydrophobicContact CD1-CB 4.43Å; I11-N132 WeakPolarHBondContact CD1-O 3.32Å; I11-N132 HydrophobicContact CG2-CB 4.44Å; L74-N132 CarbonylContact O-C 3.57Å; L74-N132 VanDerWaalsContact O-CA 3.26Å; L74-N132 WeakPolarHBondContact O-CA 3.34Å; I75-N132 WeakPolarHBondContact CA-OD1 3.43Å; N76-N132 PolarHBondContact N-OD1 3.08Å; N132-N283 PolarHBondContact O-ND2 3.02Å
133L88.9Confident89.6Confident0 Ų024.4 Ų24.40%012%0.123CC..EExtended strand (participates in β ladder)trans-157.9135.2-175-176.459.8000110I35 F52 L74 L131 L135 Q279 L282 L286I35-L133 HydrophobicContact CD1-CD1 4.22Å; F52-L133 HydrophobicContact CD2-CD2 4.49Å; L74-L133 HydrophobicContact CB-CB 4.38Å; L74-L133 WeakPolarHBondContact CB-O 3.4Å; L74-L133 HydrophobicContact CD1-CB 4.5Å; L74-L133 PolarHBondContact N-O 3.36Å; L74-L133 PolarHBondContact O-N 3.09Å; L131-L133 PolarHBondContact O-N 3.13Å; L133-L135 HydrophobicContact CD2-CD1 3.57Å; L133-L135 HydrophobicContact CD2-CG 4.1Å; L133-L135 HydrophobicContact CG-CD1 3.92Å; L133-L135 HydrophobicContact CG-CG 3.97Å; L133-Q279 HydrophobicContact CD2-CG 4.45Å; L133-L282 HydrophobicContact CD1-CB 4.08Å; L133-L282 HydrophobicContact CD2-CB 4.05Å; L133-L286 HydrophobicContact CD1-CB 4.45Å; L133-L286 HydrophobicContact CD1-CD2 3.89Å
134T88.9Confident89Confident6 Ų629.2 Ų29.24%0.03715%0.153CC..EExtended strand (participates in β ladder)trans-115.7121.8175.6-570000109.2N15 V71 L72 Q73N15-T134 PolarHBondContact OD1-OG1 2.89Å; V71-T134 HydrophobicContact CG1-CG2 4.26Å; L72-T134 WeakPolarHBondContact O-CA 3.23Å; Q73-T134 HydrophobicContact CG-CG2 3.84Å
135L92.4Very high88.4Confident0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-128.4146.6-177.3-71.4156.7000109.6I35 V37 L49 F52 L72 L133 L282I35-L135 HydrophobicContact CB-CD2 3.74Å; I35-L135 HydrophobicContact CD1-CD2 4.34Å; I35-L135 HydrophobicContact CG2-CD2 3.63Å; I35-L135 CarbonylContact O-C 3.08Å; I35-L135 WeakPolarHBondContact O-CA 3.37Å; V37-L135 HydrophobicContact CG2-CD2 4.04Å; L49-L135 HydrophobicContact CD2-CB 4.28Å; L49-L135 HydrophobicContact CD2-CD1 3.67Å; L49-L135 HydrophobicContact CD2-CG 4.48Å; F52-L135 HydrophobicContact CD2-CD1 3.66Å; F52-L135 HydrophobicContact CE2-CD1 3.78Å; L72-L135 PolarHBondContact N-O 2.78Å; L72-L135 PolarHBondContact O-N 3.49Å; L133-L135 HydrophobicContact CD2-CD1 3.57Å; L133-L135 HydrophobicContact CD2-CG 4.1Å; L133-L135 HydrophobicContact CG-CD1 3.92Å; L133-L135 HydrophobicContact CG-CG 3.97Å; L135-L282 HydrophobicContact CD2-CD1 4.32Å
136I92.8Very high87.6Confident2 Ų232.9 Ų32.91%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-112.2110.3172-54.4-177.3000107.8Q34 I35 V37 P69 L70 V71 L138 F164Q34-I136 HydrophobicContact CB-CD1 4.37Å; Q34-I136 HydrophobicContact CG-CD1 4.01Å; Q34-I136 VanDerWaalsContact NE2-CD1 3.3Å; I35-I136 PolarHBondContact O-N 3.33Å; V37-I136 PolarHBondContact N-O 3.44Å; P69-I136 HydrophobicContact CB-CG2 4.17Å; L70-I136 CarbonylContact O-C 3.54Å; L70-I136 WeakPolarHBondContact O-CA 3.48Å; V71-I136 HydrophobicContact CG2-CD1 4.45Å; V71-I136 HydrophobicContact CG2-CG1 4.25Å; I136-L138 HydrophobicContact CG2-CD2 3.81Å; I136-L138 HydrophobicContact CG2-CG 4.27Å; I136-L138 PolarHBondContact O-N 2.89Å; I136-F164 HydrophobicContact CD1-CD1 4.03Å; I136-F164 HydrophobicContact CD1-CE1 4.3Å; I136-F164 HydrophobicContact CG2-CD1 4.37Å; I136-F164 HydrophobicContact CG2-CE1 4.41Å
137D94.4Very high86.9Confident0 Ų034.4 Ų34.40%021%0.208CC..EExtended strand (participates in β ladder)trans-79.2117.9170.1-166.436.2000109.2K45 L49 T66 P69 L70K45-D137 VanDerWaalsContact NZ-CG 3.32Å; K45-D137 IonicContact NZ-OD1 3.39Å; K45-D137 PolarHBondContact NZ-OD1 3.33Å; K45-D137 IonicContact NZ-OD2 3.35Å; K45-D137 PolarHBondContact NZ-OD2 2.6Å; L49-D137 HydrophobicContact CD1-CB 3.48Å; L49-D137 VanDerWaalsContact CD1-CB 3.48Å; L49-D137 VanDerWaalsContact CD1-CG 3.49Å; T66-D137 PolarHBondContact OG1-OD2 2.77Å; P69-D137 WeakPolarHBondContact CA-O 3.42Å; L70-D137 HydrophobicContact CB-CB 4.2Å; L70-D137 PolarHBondContact N-O 2.64Å; L70-D137 PolarHBondContact O-N 3.13Å
138L94.6Very high86.2Confident1 Ų140.2 Ų40.21%0.00524%0.239CC..PPolyproline II helixtrans-96.5155.8176.2-61.9173.2000110.8A36 V37 V38 K45 P69 I136 G140 I161 F164 I165A36-L138 HydrophobicContact CB-CD1 3.96Å; V37-L138 WeakPolarHBondContact O-CB 3.37Å; V37-L138 PolarHBondContact O-N 3.19Å; V38-L138 HydrophobicContact CG2-CD1 4.05Å; K45-L138 WeakPolarHBondContact CE-O 3.48Å; K45-L138 PolarHBondContact NZ-O 2.73Å; K45-L138 VanDerWaalsContact NZ-O 3.1Å; P69-L138 HydrophobicContact CB-CD2 3.99Å; P69-L138 HydrophobicContact CG-CD2 4.16Å; I136-L138 HydrophobicContact CG2-CD2 3.81Å; I136-L138 HydrophobicContact CG2-CG 4.27Å; I136-L138 PolarHBondContact O-N 2.89Å; L138-G140 PolarHBondContact O-N 3.19Å; L138-I161 HydrophobicContact CB-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CB 4.4Å; L138-I161 HydrophobicContact CD1-CG1 4.25Å; L138-I161 HydrophobicContact CD1-CG2 4.1Å; L138-F164 HydrophobicContact CD1-CB 4.18Å; L138-F164 HydrophobicContact CD2-CB 4.39Å; L138-F164 HydrophobicContact CD2-CD2 3.58Å; L138-F164 HydrophobicContact CD2-CE2 3.97Å; L138-F164 HydrophobicContact CD2-CG 3.91Å; L138-I165 HydrophobicContact CD1-CG2 4.34Å
139P91.7Very high85.9Confident0 Ų037.8 Ų37.80%022%0.222CC..PPolyproline II helixtrans-51.6139.3171-27.936.4000112.1I64 T66 I157 M160I64-P139 HydrophobicContact CG2-CB 4.5Å; T66-P139 WeakPolarHBondContact O-CA 3.45Å; T66-P139 WeakPolarHBondContact O-CB 3.45Å; T66-P139 WeakPolarHBondContact O-CG 3.45Å; P139-I157 HydrophobicContact CB-CG1 4.49Å; P139-I157 HydrophobicContact CB-CG2 4.15Å; P139-M160 HydrophobicContact CG-SD 3.77Å
140G89.8Confident85.7Confident6 Ų634.7 Ų34.76%0.06221%0.207CC..PPolyproline II helixtrans-73.7138.8176.500000111G39 L138 T142G39-G140 VanDerWaalsContact O-CA 3.32Å; G39-G140 WeakPolarHBondContact O-CA 3.3Å; L138-G140 PolarHBondContact O-N 3.19Å; G140-T142 PolarHBondContact O-N 2.87Å
141M87.2Confident85.5Confident19 Ų1940.4 Ų40.49%0.09424%0.244CC..BIsolated β-bridgetrans-64132.8178.1-64.3177.466.800111.4G39 Q41 I161 D186 L190G39-M141 PolarHBondContact O-N 3.45Å; G39-M141 VanDerWaalsContact O-N 3.08Å; Q41-M141 WeakPolarHBondContact CB-O 3.31Å; Q41-M141 PolarHBondContact N-O 2.98Å; M141-I161 HydrophobicContact CG-CD1 3.81Å; M141-D186 HydrophobicContact CE-CB 3.67Å; M141-D186 HydrophobicContact SD-CB 3.44Å; M141-D186 WeakPolarHBondContact SD-CB 3.34Å; M141-L190 HydrophobicContact CE-CD1 3.98Å; M141-L190 HydrophobicContact CE-CG 4.28Å; M141-L190 HydrophobicContact CG-CD1 4.31Å; M141-L190 HydrophobicContact SD-CD1 3.26Å; M141-L190 WeakPolarHBondContact SD-CD1 3.39Å; M141-L190 HydrophobicContact SD-CG 3.97Å
142T82Confident85.5Confident6 Ų641.2 Ų41.24%0.03725%0.249CC..  trans-125.2130.5175.758.10000109.8Q41 I64 G140 E154 I157Q41-T142 HydrophobicContact CB-CG2 3.95Å; Q41-T142 HydrophobicContact CG-CG2 4.24Å; I64-T142 HydrophobicContact CD1-CG2 4.13Å; I64-T142 HydrophobicContact CG1-CG2 3.58Å; G140-T142 PolarHBondContact O-N 2.87Å; T142-E154 WeakPolarHBondContact O-CB 3.16Å; T142-I157 WeakPolarHBondContact OG1-CD1 3.39Å
143K77.3Confident85.5Confident124 Ų12439.5 Ų39.554%0.53924%0.24SC..SBendtrans-87.4-18.7-177.9-64-176.7178.3178.50114D186K143-D186 WeakPolarHBondContact CE-OD1 3.47Å; K143-D186 VanDerWaalsContact CE-OD2 3.23Å; K143-D186 WeakPolarHBondContact CE-OD2 3.35Å; K143-D186 IonicContact NZ-OD1 3.93Å; K143-D186 PolarHBondContact NZ-OD1 3.41Å; K143-D186 IonicContact NZ-OD2 2.73Å; K143-D186 PolarHBondContact NZ-OD2 2.87Å
144V80.4Confident85.5Confident103 Ų10343.6 Ų43.662%0.62426%0.259SS*.SBendtrans-135.8125.4-176.5-176.30000108.6
145P78.1Confident85.6Confident55 Ų5548 Ų4836%0.35729%0.286SS..  trans-64.4138.1174.326.3-33.1000110.4Q149 I153P145-Q149 HydrophobicContact CB-CB 3.95Å; P145-I153 HydrophobicContact CB-CG2 3.78Å
146V76.4Confident85.5Confident68 Ų6851 Ų5141%0.41230%0.3SS..  trans-122.8134.2179.1-67.40000112D148 Q149V146-D148 PolarHBondContact O-N 3.45Å; V146-Q149 WeakPolarHBondContact O-CG 3.14Å
147G78.6Confident85.4Confident69 Ų6950.9 Ų50.971%0.71130%0.299SS*.SBendtrans63.2-130.3-178.100000111.4Q149G147-Q149 PolarHBondContact O-N 3.3Å
148D78.7Confident85.4Confident123 Ų12354.6 Ų54.666%0.65831%0.313SS*.SBendtrans-84.523.2-176.2-47.6-52000113.8V146V146-D148 PolarHBondContact O-N 3.45Å
149Q82.1Confident85.3Confident14 Ų1457.4 Ų57.47%0.06533%0.333CS..  trans-75.4142.6175-74.8177.9-12.200110.7I64 K114 P145 V146 G147 I153I64-Q149 VanDerWaalsContact CG1-NE2 3.28Å; K114-Q149 HydrophobicContact CB-CG 3.77Å; P145-Q149 HydrophobicContact CB-CB 3.95Å; V146-Q149 WeakPolarHBondContact O-CG 3.14Å; G147-Q149 PolarHBondContact O-N 3.3Å; Q149-I153 HydrophobicContact CB-CG2 4.48Å
150P83.2Confident85.2Confident35 Ų3557.8 Ų57.823%0.22734%0.335CS..  trans-65.5150.5177.629.7-35.2000110.9D152 I153P150-D152 WeakPolarHBondContact CB-OD1 3.35Å; P150-D152 PolarHBondContact O-N 3.07Å; P150-I153 HydrophobicContact CG-CB 4.08Å; P150-I153 HydrophobicContact CG-CD1 4Å; P150-I153 VanDerWaalsContact O-CB 3.28Å; P150-I153 WeakPolarHBondContact O-CB 3.42Å; P150-I153 WeakPolarHBondContact O-CG2 3.42Å; P150-I153 PolarHBondContact O-N 3.07Å; P150-I153 VanDerWaalsContact O-N 3.12Å
151P84.8Confident85.4Confident121 Ų12157.5 Ų57.579%0.78633%0.332SS*.THydrogen-bonded Turntrans-63.5-26.4-175.625-34.1000113.5
152D87.7Confident85.8Confident77 Ų7758.5 Ų58.541%0.41234%0.337SS..THydrogen-bonded Turntrans-94.115.3178.966.1-43.3000113.4P150 E154 V155 Q156P150-D152 WeakPolarHBondContact CB-OD1 3.35Å; P150-D152 PolarHBondContact O-N 3.07Å; D152-E154 PolarHBondContact O-N 2.8Å; D152-E154 VanDerWaalsContact O-N 3.15Å; D152-V155 WeakPolarHBondContact O-CB 3.23Å; D152-V155 PolarHBondContact O-N 2.82Å; D152-Q156 PolarHBondContact O-N 2.85Å; D152-Q156 PolarHBondContact OD1-NE2 3.08Å; D152-Q156 VanDerWaalsContact OD1-NE2 3.08Å; D152-Q156 PolarHBondContact OD2-NE2 3.19Å
153I86.2Confident86.2Confident1 Ų162.6 Ų62.61%0.00536%0.356CS..Hα-helixtrans-55-36.4-175.9-168.658.7000113.5I64 I116 P145 Q149 P150 V155 Q156 I157I64-I153 HydrophobicContact CD1-CD1 4.21Å; I64-I153 HydrophobicContact CD1-CG1 3.68Å; I116-I153 HydrophobicContact CD1-CD1 4.11Å; I116-I153 HydrophobicContact CG1-CD1 4.14Å; I116-I153 HydrophobicContact CG2-CD1 3.91Å; P145-I153 HydrophobicContact CB-CG2 3.78Å; Q149-I153 HydrophobicContact CB-CG2 4.48Å; P150-I153 HydrophobicContact CG-CB 4.08Å; P150-I153 HydrophobicContact CG-CD1 4Å; P150-I153 VanDerWaalsContact O-CB 3.28Å; P150-I153 WeakPolarHBondContact O-CB 3.42Å; P150-I153 WeakPolarHBondContact O-CG2 3.42Å; P150-I153 PolarHBondContact O-N 3.07Å; P150-I153 VanDerWaalsContact O-N 3.12Å; I153-V155 VanDerWaalsContact C-N 3.32Å; I153-V155 PolarHBondContact O-N 2.88Å; I153-Q156 PolarHBondContact O-N 2.79Å; I153-I157 HydrophobicContact CD1-CG1 4.39Å; I153-I157 HydrophobicContact CG1-CD1 4.12Å; I153-I157 HydrophobicContact CG1-CG1 4.35Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.27Å; I153-I157 PolarHBondContact O-N 2.86Å
154E88.3Confident86.8Confident86 Ų8658.2 Ų58.240%0.40234%0.337SS..Hα-helixtrans-60.2-43.7176.7-177.8179.1178.300111.2T142 D152 R158T142-E154 WeakPolarHBondContact O-CB 3.16Å; D152-E154 PolarHBondContact O-N 2.8Å; D152-E154 VanDerWaalsContact O-N 3.15Å; E154-R158 WeakPolarHBondContact O-CB 3.23Å; E154-R158 PolarHBondContact O-N 3.22Å
155V90.8Very high87.4Confident98 Ų9853.3 Ų53.359%0.59431%0.307SS*.Hα-helixtrans-67.1-42.4178.9-176.70000109.9D152 I153 R158 S159D152-V155 WeakPolarHBondContact O-CB 3.23Å; D152-V155 PolarHBondContact O-N 2.82Å; I153-V155 VanDerWaalsContact C-N 3.32Å; I153-V155 PolarHBondContact O-N 2.88Å; V155-R158 PolarHBondContact O-N 3.07Å; V155-S159 VanDerWaalsContact O-CB 3.28Å; V155-S159 WeakPolarHBondContact O-CB 3.47Å; V155-S159 PolarHBondContact O-N 3.3Å
156Q90.2Very high88.1Confident62 Ų6254.2 Ų54.229%0.2931%0.312SS..Hα-helixtrans-62.8-46.9177.9-62.2-177.422.800111.9I116 D152 I153 S159 M160I116-Q156 HydrophobicContact CD1-CB 3.55Å; I116-Q156 HydrophobicContact CG1-CB 4.18Å; D152-Q156 PolarHBondContact O-N 2.85Å; D152-Q156 PolarHBondContact OD1-NE2 3.08Å; D152-Q156 VanDerWaalsContact OD1-NE2 3.08Å; D152-Q156 PolarHBondContact OD2-NE2 3.19Å; I153-Q156 PolarHBondContact O-N 2.79Å; Q156-S159 PolarHBondContact O-N 3.23Å; Q156-M160 WeakPolarHBondContact O-CB 3.08Å; Q156-M160 PolarHBondContact O-N 3.43Å
157I91.4Very high88.8Confident1 Ų153.7 Ų53.71%0.00531%0.305CS..Hα-helixtrans-61.9-46.7176.8-66.6170.4000110.2I64 I116 P139 T142 I153 S159 M160 I161I64-I157 HydrophobicContact CD1-CD1 3.47Å; I64-I157 VanDerWaalsContact CD1-CD1 3.47Å; I64-I157 HydrophobicContact CD1-CG1 4.42Å; I64-I157 HydrophobicContact CG1-CD1 4.31Å; I116-I157 HydrophobicContact CD1-CB 4.36Å; I116-I157 HydrophobicContact CD1-CG1 3.71Å; P139-I157 HydrophobicContact CB-CG1 4.49Å; P139-I157 HydrophobicContact CB-CG2 4.15Å; T142-I157 WeakPolarHBondContact OG1-CD1 3.39Å; I153-I157 HydrophobicContact CD1-CG1 4.39Å; I153-I157 HydrophobicContact CG1-CD1 4.12Å; I153-I157 HydrophobicContact CG1-CG1 4.35Å; I153-I157 VanDerWaalsContact O-CG1 3.31Å; I153-I157 WeakPolarHBondContact O-CG1 3.27Å; I153-I157 PolarHBondContact O-N 2.86Å; I157-S159 PolarHBondContact O-N 2.94Å; I157-M160 PolarHBondContact O-N 2.66Å; I157-I161 HydrophobicContact CG2-CD1 3.63Å; I157-I161 HydrophobicContact CG2-CG1 4.25Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 2.96Å
158R93.1Very high89.2Confident77 Ų7758.2 Ų58.229%0.29131%0.308SS..Hα-helixtrans-61.3-46-179.9177170.7164.3104.92.4111.3E154 V155 M160 I161 L162 L190 E193E154-R158 WeakPolarHBondContact O-CB 3.23Å; E154-R158 PolarHBondContact O-N 3.22Å; V155-R158 PolarHBondContact O-N 3.07Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.26Å; R158-I161 PolarHBondContact O-N 3.4Å; R158-L162 HydrophobicContact CG-CD1 4.04Å; R158-L162 WeakPolarHBondContact O-CB 3.3Å; R158-L162 VanDerWaalsContact O-CG 3.29Å; R158-L162 WeakPolarHBondContact O-CG 3.34Å; R158-L162 PolarHBondContact O-N 3.18Å; R158-L190 HydrophobicContact CG-CD2 4.15Å; R158-E193 IonicContact CZ-OE1 3.76Å; R158-E193 IonicContact CZ-OE2 3.83Å; R158-E193 IonicContact NH1-OE1 3.41Å; R158-E193 PolarHBondContact NH1-OE1 3.25Å; R158-E193 IonicContact NH1-OE2 2.79Å; R158-E193 PolarHBondContact NH1-OE2 3.15Å; R158-E193 IonicContact NH2-OE1 4Å; R158-E193 PolarHBondContact NH2-OE1 3.07Å; R158-E193 IonicContact NH2-OE2 3.65Å; R158-E193 PolarHBondContact NH2-OE2 2.97Å
159S92.7Very high89.6Confident61 Ų6153.9 Ų53.943%0.42729%0.285SS..Hα-helixtrans-57.9-47.6175.5-169.30000110.8V155 Q156 I157 I161 L162 E163V155-S159 VanDerWaalsContact O-CB 3.28Å; V155-S159 WeakPolarHBondContact O-CB 3.47Å; V155-S159 PolarHBondContact O-N 3.3Å; Q156-S159 PolarHBondContact O-N 3.23Å; I157-S159 PolarHBondContact O-N 2.94Å; S159-I161 PolarHBondContact O-N 3.36Å; S159-L162 PolarHBondContact O-N 2.86Å; S159-E163 PolarHBondContact O-N 3.42Å
160M91.2Very high90.1Very high8 Ų853.2 Ų53.24%0.03928%0.282CS..Hα-helixtrans-60.2-47.3177.4-176.6-173.3-59.600111.9P69 I116 S117 N118 P139 Q156 I157 R158 L162 E163 F164P69-M160 HydrophobicContact CG-CG 4.34Å; P69-M160 HydrophobicContact CG-SD 3.84Å; I116-M160 HydrophobicContact CB-CE 3.87Å; I116-M160 HydrophobicContact CD1-CE 3.56Å; I116-M160 HydrophobicContact CG1-CE 3.72Å; S117-M160 VanDerWaalsContact O-CE 3.28Å; S117-M160 WeakPolarHBondContact O-CE 3.47Å; N118-M160 HydrophobicContact CB-CE 4.24Å; N118-M160 HydrophobicContact CB-CG 4.27Å; P139-M160 HydrophobicContact CG-SD 3.77Å; Q156-M160 WeakPolarHBondContact O-CB 3.08Å; Q156-M160 PolarHBondContact O-N 3.43Å; I157-M160 PolarHBondContact O-N 2.66Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.26Å; M160-L162 VanDerWaalsContact C-N 3.29Å; M160-L162 PolarHBondContact O-N 3.43Å; M160-E163 WeakPolarHBondContact O-CB 3.36Å; M160-E163 PolarHBondContact O-N 3.41Å; M160-F164 HydrophobicContact CG-CE2 4.28Å; M160-F164 VanDerWaalsContact O-CD2 3.25Å; M160-F164 WeakPolarHBondContact O-CD2 3.11Å
161I93.9Very high90.7Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-58.4-45.2177.9-69165.7000110.3V38 L138 M141 I157 R158 S159 E163 F164 I165 L190V38-I161 HydrophobicContact CG1-CG2 4.09Å; V38-I161 HydrophobicContact CG2-CG2 3.9Å; L138-I161 HydrophobicContact CB-CG1 4.22Å; L138-I161 HydrophobicContact CD1-CB 4.4Å; L138-I161 HydrophobicContact CD1-CG1 4.25Å; L138-I161 HydrophobicContact CD1-CG2 4.1Å; M141-I161 HydrophobicContact CG-CD1 3.81Å; I157-I161 HydrophobicContact CG2-CD1 3.63Å; I157-I161 HydrophobicContact CG2-CG1 4.25Å; I157-I161 WeakPolarHBondContact O-CG1 3.28Å; I157-I161 PolarHBondContact O-N 2.96Å; R158-I161 PolarHBondContact O-N 3.4Å; S159-I161 PolarHBondContact O-N 3.36Å; I161-E163 VanDerWaalsContact C-N 3.3Å; I161-E163 PolarHBondContact O-N 2.88Å; I161-F164 PolarHBondContact O-N 3.17Å; I161-F164 VanDerWaalsContact O-N 3.1Å; I161-I165 HydrophobicContact CG2-CD1 3.8Å; I161-I165 HydrophobicContact CG2-CG1 4.09Å; I161-I165 HydrophobicContact CG2-CG2 4.22Å; I161-I165 WeakPolarHBondContact O-CG1 3.32Å; I161-I165 PolarHBondContact O-N 3.47Å; I161-L190 HydrophobicContact CB-CD1 4.5Å; I161-L190 HydrophobicContact CD1-CD1 4.15Å; I161-L190 HydrophobicContact CG2-CD1 3.91Å
162L94.1Very high91.3Very high39 Ų3945.8 Ų45.820%0.20423%0.234CC..Hα-helixtrans-62.2-33.9-180-72.4171.4000112.7R158 S159 M160 F164 I165 T166 L190 V194R158-L162 HydrophobicContact CG-CD1 4.04Å; R158-L162 WeakPolarHBondContact O-CB 3.3Å; R158-L162 VanDerWaalsContact O-CG 3.29Å; R158-L162 WeakPolarHBondContact O-CG 3.34Å; R158-L162 PolarHBondContact O-N 3.18Å; S159-L162 PolarHBondContact O-N 2.86Å; M160-L162 VanDerWaalsContact C-N 3.29Å; M160-L162 PolarHBondContact O-N 3.43Å; L162-F164 PolarHBondContact O-N 2.97Å; L162-I165 HydrophobicContact CD2-CD1 4.26Å; L162-I165 HydrophobicContact CD2-CG1 4.25Å; L162-T166 WeakPolarHBondContact O-CB 3.14Å; L162-T166 PolarHBondContact O-N 3.08Å; L162-T166 PolarHBondContact O-OG1 3.4Å; L162-L190 HydrophobicContact CD2-CD2 4.38Å; L162-V194 HydrophobicContact CD2-CG1 3.77Å
163E90.2Very high91.7Very high92 Ų9242.1 Ų42.143%0.4321%0.214SC..Hα-helixtrans-55.5-35.7173.7-72.3171.8-162.700112.1N118 S159 M160 I161 Q167N118-E163 PolarHBondContact ND2-OE2 2.87Å; S159-E163 PolarHBondContact O-N 3.42Å; M160-E163 WeakPolarHBondContact O-CB 3.36Å; M160-E163 PolarHBondContact O-N 3.41Å; I161-E163 VanDerWaalsContact C-N 3.3Å; I161-E163 PolarHBondContact O-N 2.88Å; E163-Q167 PolarHBondContact O-NE2 2.82Å
164F90.4Very high92.2Very high32 Ų3242.1 Ų42.114%0.1421%0.214CC..Hα-helixtrans-87.9-46.2179.2-67.9-89.6000113.3P69 I136 L138 M160 I161 L162 C170P69-F164 HydrophobicContact CB-CE1 4.46Å; P69-F164 HydrophobicContact CB-CE2 4.11Å; P69-F164 HydrophobicContact CB-CZ 3.8Å; P69-F164 HydrophobicContact CG-CE2 3.55Å; P69-F164 HydrophobicContact CG-CZ 3.61Å; I136-F164 HydrophobicContact CD1-CD1 4.03Å; I136-F164 HydrophobicContact CD1-CE1 4.3Å; I136-F164 HydrophobicContact CG2-CD1 4.37Å; I136-F164 HydrophobicContact CG2-CE1 4.41Å; L138-F164 HydrophobicContact CD1-CB 4.18Å; L138-F164 HydrophobicContact CD2-CB 4.39Å; L138-F164 HydrophobicContact CD2-CD2 3.58Å; L138-F164 HydrophobicContact CD2-CE2 3.97Å; L138-F164 HydrophobicContact CD2-CG 3.91Å; M160-F164 HydrophobicContact CG-CE2 4.28Å; M160-F164 VanDerWaalsContact O-CD2 3.25Å; M160-F164 WeakPolarHBondContact O-CD2 3.11Å; I161-F164 PolarHBondContact O-N 3.17Å; I161-F164 VanDerWaalsContact O-N 3.1Å; L162-F164 PolarHBondContact O-N 2.97Å; F164-C170 WeakPolarHBondContact O-CB 3.36Å; F164-C170 PolarHBondContact O-SG 3.46Å; F164-C170 VanDerWaalsContact O-SG 3.37Å
165I93.6Very high92.6Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-84.6-16.3-17168.3169.8000114.2A36 V38 L138 I161 L162 Q167 I172 L190 V194 R200A36-I165 HydrophobicContact CB-CG2 3.95Å; V38-I165 HydrophobicContact CG2-CG2 3.7Å; L138-I165 HydrophobicContact CD1-CG2 4.34Å; I161-I165 HydrophobicContact CG2-CD1 3.8Å; I161-I165 HydrophobicContact CG2-CG1 4.09Å; I161-I165 HydrophobicContact CG2-CG2 4.22Å; I161-I165 WeakPolarHBondContact O-CG1 3.32Å; I161-I165 PolarHBondContact O-N 3.47Å; L162-I165 HydrophobicContact CD2-CD1 4.26Å; L162-I165 HydrophobicContact CD2-CG1 4.25Å; I165-Q167 PolarHBondContact O-N 3.02Å; I165-I172 HydrophobicContact CB-CD1 4.04Å; I165-I172 HydrophobicContact CB-CG1 4.1Å; I165-I172 HydrophobicContact CD1-CD1 4.5Å; I165-I172 HydrophobicContact CG2-CG1 4.21Å; I165-L190 HydrophobicContact CD1-CB 4.14Å; I165-V194 HydrophobicContact CB-CG2 4.33Å; I165-V194 HydrophobicContact CD1-CG2 3.84Å; I165-V194 HydrophobicContact CG1-CG1 4.43Å; I165-V194 HydrophobicContact CG1-CG2 3.96Å; I165-R200 VanDerWaalsContact O-CZ 3.28Å; I165-R200 PolarHBondContact O-NH1 3.41Å; I165-R200 PolarHBondContact O-NH2 3.48Å
166T93.1Very high92.8Very high75 Ų7533.6 Ų33.646%0.4617%0.168SC..THydrogen-bonded Turntrans-67.8-25.4174.6-57.10000111.4L162 E168L162-T166 WeakPolarHBondContact O-CB 3.14Å; L162-T166 PolarHBondContact O-N 3.08Å; L162-T166 PolarHBondContact O-OG1 3.4Å; T166-E168 PolarHBondContact O-N 3.1Å
167Q89.6Confident93Very high57 Ų5731.2 Ų31.227%0.26616%0.158SC..SBendtrans-63.4126.3178.4-51.2-53.2-17.500110.9D31 E163 I165 N169 C170 R200D31-Q167 PolarHBondContact OD1-OE1 3.17Å; E163-Q167 PolarHBondContact O-NE2 2.82Å; I165-Q167 PolarHBondContact O-N 3.02Å; Q167-N169 PolarHBondContact O-N 2.7Å; Q167-C170 HydrophobicContact CB-CB 4.13Å; Q167-C170 VanDerWaalsContact O-CB 3.26Å; Q167-C170 WeakPolarHBondContact O-CB 3.36Å; Q167-C170 PolarHBondContact O-N 2.75Å; Q167-R200 PolarHBondContact O-NH1 2.84Å
168E87.5Confident93Very high163 Ų16331.9 Ų31.976%0.76216%0.163SC*.THydrogen-bonded Turntrans-61.7-30.8-177.7-64.4-174.7168.200112.4T166 C170T166-E168 PolarHBondContact O-N 3.1Å; E168-C170 PolarHBondContact O-N 3.43Å
169N88.3Confident92.7Very high32 Ų3232.1 Ų32.117%0.17117%0.17CC..THydrogen-bonded Turntrans-81.72.4177.3-65.2-19.8000113.2D31 P33 Q34 Q167 H289 T293D31-N169 HydrophobicContact CB-CB 4.08Å; D31-N169 WeakPolarHBondContact O-CB 3.34Å; D31-N169 PolarHBondContact O-ND2 3.45Å; P33-N169 WeakPolarHBondContact CA-O 3.28Å; Q34-N169 PolarHBondContact N-O 2.94Å; Q167-N169 PolarHBondContact O-N 2.7Å; N169-H289 VanDerWaalsContact C-NE2 3.3Å; N169-H289 PolarHBondContact O-CD2 2.78Å; N169-H289 PolarHBondContact O-NE2 3.44Å; N169-T293 VanDerWaalsContact OD1-CG2 3.29Å; N169-T293 WeakPolarHBondContact OD1-CG2 3.19Å
170C92.1Very high92.3Very high1 Ų131.8 Ų31.81%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-94.4121.6175.4-171.50000110.6Q34 A36 F164 Q167 E168 R200Q34-C170 HydrophobicContact CG-CB 4.4Å; A36-C170 WeakPolarHBondContact CB-SG 3.3Å; F164-C170 WeakPolarHBondContact O-CB 3.36Å; F164-C170 PolarHBondContact O-SG 3.46Å; F164-C170 VanDerWaalsContact O-SG 3.37Å; Q167-C170 HydrophobicContact CB-CB 4.13Å; Q167-C170 VanDerWaalsContact O-CB 3.26Å; Q167-C170 WeakPolarHBondContact O-CB 3.36Å; Q167-C170 PolarHBondContact O-N 2.75Å; E168-C170 PolarHBondContact O-N 3.43Å; C170-R200 WeakPolarHBondContact O-CD 3.5Å; C170-R200 PolarHBondContact O-NH1 3.12Å
171L95.1Very high91.7Very high0 Ų035.9 Ų35.90%019%0.19CC..EExtended strand (participates in β ladder)trans-78.4140166.7-61.2-177.5000109.5Q34 I35 A36 R200 Q285 H289Q34-L171 PolarHBondContact O-N 3.18Å; I35-L171 CarbonylContact C-O 3.6Å; I35-L171 WeakPolarHBondContact CA-O 3.41Å; I35-L171 HydrophobicContact CD1-CD1 4.43Å; I35-L171 HydrophobicContact CG1-CB 4.12Å; I35-L171 HydrophobicContact CG1-CD1 4.19Å; A36-L171 PolarHBondContact N-O 2.93Å; L171-R200 HydrophobicContact CD2-CB 3.84Å; L171-Q285 HydrophobicContact CD1-CB 4.34Å; L171-H289 HydrophobicContact CD1-CB 3.95Å; L171-H289 HydrophobicContact CD2-CB 4.41Å; L171-H289 HydrophobicContact CG-CB 4.33Å
172I97.1Very high91Very high0 Ų036.4 Ų36.40%019%0.193CC..EExtended strand (participates in β ladder)trans-104.3118.2-177.7-53.8172.9000108.8V38 I165 V194 D195 R200 T201 I202V38-I172 HydrophobicContact CG2-CG2 4.2Å; I165-I172 HydrophobicContact CB-CD1 4.04Å; I165-I172 HydrophobicContact CB-CG1 4.1Å; I165-I172 HydrophobicContact CD1-CD1 4.5Å; I165-I172 HydrophobicContact CG2-CG1 4.21Å; I172-V194 HydrophobicContact CD1-CG2 3.57Å; I172-D195 HydrophobicContact CD1-CB 4.38Å; I172-R200 PolarHBondContact N-O 3.48Å; I172-T201 HydrophobicContact CB-CG2 4.34Å; I172-T201 HydrophobicContact CG2-CG2 4.41Å; I172-T201 CarbonylContact O-C 3.43Å; I172-T201 WeakPolarHBondContact O-CA 3.27Å; I172-I202 PolarHBondContact O-N 2.94Å
173L97.8Very high90.2Very high0 Ų038.2 Ų38.20%021%0.214CC..EExtended strand (participates in β ladder)trans-95.395.3169.3-169.466.5000109.1I35 A36 V37 V38 V175 I202 V204 L278 L282I35-L173 HydrophobicContact CG2-CB 3.84Å; A36-L173 PolarHBondContact O-N 3.34Å; V37-L173 HydrophobicContact CG1-CD2 4.31Å; V37-L173 HydrophobicContact CG2-CB 4.33Å; V37-L173 HydrophobicContact CG2-CD2 3.95Å; V38-L173 PolarHBondContact N-O 2.87Å; L173-V175 HydrophobicContact CG-CG2 4.39Å; L173-V175 PolarHBondContact O-N 3.41Å; L173-I202 HydrophobicContact CD1-CB 3.91Å; L173-I202 HydrophobicContact CD1-CG2 3.87Å; L173-V204 HydrophobicContact CD1-CG2 3.39Å; L173-V204 HydrophobicContact CD2-CG2 4.46Å; L173-V204 HydrophobicContact CG-CG2 3.95Å; L173-L278 HydrophobicContact CD1-CD1 4.46Å; L173-L282 HydrophobicContact CD1-CD1 4.3Å; L173-L282 HydrophobicContact CD1-CD2 3.68Å; L173-L282 HydrophobicContact CD2-CD1 3.8Å
174A96.8Very high90Very high1 Ų139.3 Ų39.31%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-86.6102.6-176.800000110.6A187 L188 T201 I202 V204A174-A187 HydrophobicContact CB-CB 4.13Å; A174-L188 HydrophobicContact CB-CD2 3.8Å; A174-L188 HydrophobicContact CB-CG 4.44Å; A174-T201 HydrophobicContact CB-CG2 3.97Å; A174-I202 PolarHBondContact N-O 3.15Å; A174-V204 PolarHBondContact O-N 2.94Å
175V96.4Very high89.9Confident1 Ų138.3 Ų38.31%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-93.1118.4-177.7-173.10000110V37 V38 A43 L173 V204 T206V37-V175 HydrophobicContact CG1-CG2 3.68Å; V38-V175 PolarHBondContact O-N 2.86Å; A43-V175 HydrophobicContact CB-CG1 4.26Å; L173-V175 HydrophobicContact CG-CG2 4.39Å; L173-V175 PolarHBondContact O-N 3.41Å; V175-V204 WeakPolarHBondContact CA-O 3.32Å; V175-V204 HydrophobicContact CG1-CG1 4.49Å; V175-V204 HydrophobicContact CG2-CB 4.27Å; V175-T206 HydrophobicContact CG1-CG2 3.53Å
176S94.9Very high89.7Confident3 Ų339.5 Ų39.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-129.3137.1-179.5-52.70000110.8S185 V204 V205 T206S176-S185 WeakPolarHBondContact OG-CB 3.48Å; S176-S185 PolarHBondContact OG-OG 3.17Å; S176-V204 PolarHBondContact N-O 3.45Å; S176-V205 CarbonylContact O-C 3.57Å; S176-V205 WeakPolarHBondContact O-CA 3.47Å; S176-T206 PolarHBondContact O-N 3.49Å
177P94.4Very high89.7Confident13 Ų1336 Ų368%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-79.9141.7175.333.2-32.1000111.4N179 S180 T206 K207P177-N179 VanDerWaalsContact C-N 3.31Å; P177-N179 WeakPolarHBondContact CB-OD1 3.33Å; P177-N179 PolarHBondContact O-N 3.37Å; P177-S180 PolarHBondContact O-OG 3.46Å; P177-S180 VanDerWaalsContact O-OG 3.12Å; P177-T206 WeakPolarHBondContact CA-OG1 3.11Å; P177-K207 HydrophobicContact CB-CB 4.48Å; P177-K207 HydrophobicContact CB-CD 3.86Å; P177-K207 HydrophobicContact CB-CG 4.32Å
178A91.9Very high89.8Confident14 Ų1433.6 Ų33.612%0.11619%0.193CC..THydrogen-bonded Turntrans-73-21.8-176.900000113.9S180 V205 T206 L208 M211A178-S180 PolarHBondContact O-N 2.8Å; A178-V205 HydrophobicContact CB-CG1 3.64Å; A178-T206 VanDerWaalsContact CB-O 3.25Å; A178-T206 WeakPolarHBondContact CB-O 3.46Å; A178-T206 PolarHBondContact N-O 3.19Å; A178-L208 HydrophobicContact CB-CD2 3.69Å; A178-L208 HydrophobicContact CB-CG 4.14Å; A178-M211 HydrophobicContact CB-CE 4.43Å; A178-M211 HydrophobicContact CB-CG 3.78Å; A178-M211 HydrophobicContact CB-SD 3.74Å
179N86.7Confident90Very high82 Ų8232.2 Ų32.244%0.43919%0.185SC..THydrogen-bonded Turntrans-81.97.6-178.875.2-40.4000113.4P177 L210P177-N179 VanDerWaalsContact C-N 3.31Å; P177-N179 WeakPolarHBondContact CB-OD1 3.33Å; P177-N179 PolarHBondContact O-N 3.37Å; N179-L210 WeakPolarHBondContact CB-O 3.49Å
180S82.8Confident90.2Very high54 Ų5430.8 Ų30.838%0.37818%0.177SC..SBendtrans-125.1150.1170.460.60000109.2P177 A178 L182P177-S180 PolarHBondContact O-OG 3.46Å; P177-S180 VanDerWaalsContact O-OG 3.12Å; A178-S180 PolarHBondContact O-N 2.8Å; S180-L182 PolarHBondContact O-N 3.22Å
181D79.5Confident90.2Very high95 Ų9530.9 Ų30.951%0.50818%0.178SC..  trans-57123.5173.3-176.93.8000110.5A183 N184D181-A183 PolarHBondContact O-N 2.9Å; D181-A183 PolarHBondContact OD1-N 3.03Å; D181-A183 VanDerWaalsContact OD1-N 3.08Å; D181-N184 PolarHBondContact O-N 2.98Å
182L78.5Confident90.1Very high10 Ų1035 Ų355%0.05220%0.196CC..G310 helixtrans-60.6-29.9-178.4-168.774.2000111.7S180 N184 S185 L188 I220 L226 Y232S180-L182 PolarHBondContact O-N 3.22Å; L182-N184 PolarHBondContact O-N 3.39Å; L182-N184 VanDerWaalsContact O-N 3.15Å; L182-S185 WeakPolarHBondContact O-CB 3.15Å; L182-S185 PolarHBondContact O-N 3.24Å; L182-L188 HydrophobicContact CD1-CD1 3.53Å; L182-L188 HydrophobicContact CD2-CD1 3.87Å; L182-L188 HydrophobicContact CG-CD1 3.53Å; L182-I220 HydrophobicContact CB-CD1 3.78Å; L182-I220 HydrophobicContact CD2-CB 4.23Å; L182-I220 HydrophobicContact CD2-CD1 3.82Å; L182-I220 HydrophobicContact CD2-CG1 3.74Å; L182-I220 HydrophobicContact CD2-CG2 3.53Å; L182-I220 HydrophobicContact CG-CD1 4.26Å; L182-L226 HydrophobicContact CD2-CB 4.5Å; L182-Y232 HydrophobicContact CD2-CE1 4.22Å
183A78.2Confident89.9Confident77 Ų7739 Ų3964%0.63622%0.215SC*.G310 helixtrans-60.3-23.7175.900000112.7D181D181-A183 PolarHBondContact O-N 2.9Å; D181-A183 PolarHBondContact OD1-N 3.03Å; D181-A183 VanDerWaalsContact OD1-N 3.08Å
184N84.6Confident89.7Confident115 Ų11540.7 Ų40.762%0.61523%0.225SC*.G310 helixtrans-95.610.9176.1-65.8-48.3000113.3D181 L182 D186D181-N184 PolarHBondContact O-N 2.98Å; L182-N184 PolarHBondContact O-N 3.39Å; L182-N184 VanDerWaalsContact O-N 3.15Å; N184-D186 PolarHBondContact O-N 2.68Å
185S88.7Confident89.7Confident11 Ų1141.1 Ų41.18%0.07723%0.227CC..  trans-67.9113.2177.5174.80000111.2S176 L182 A187 L188 K189S176-S185 WeakPolarHBondContact OG-CB 3.48Å; S176-S185 PolarHBondContact OG-OG 3.17Å; L182-S185 WeakPolarHBondContact O-CB 3.15Å; L182-S185 PolarHBondContact O-N 3.24Å; S185-A187 PolarHBondContact O-N 2.97Å; S185-A187 PolarHBondContact OG-N 3.31Å; S185-L188 PolarHBondContact O-N 2.93Å; S185-L188 PolarHBondContact OG-N 3.38Å; S185-K189 WeakPolarHBondContact O-CB 3.28Å; S185-K189 PolarHBondContact O-N 2.89Å
186D89.6Confident89.4Confident25 Ų2544.8 Ų44.813%0.13425%0.251CS..Hα-helixtrans-63.2-31176.1-56.7-50.6000111.5M141 K143 N184 L190M141-D186 HydrophobicContact CE-CB 3.67Å; M141-D186 HydrophobicContact SD-CB 3.44Å; M141-D186 WeakPolarHBondContact SD-CB 3.34Å; K143-D186 WeakPolarHBondContact CE-OD1 3.47Å; K143-D186 VanDerWaalsContact CE-OD2 3.23Å; K143-D186 WeakPolarHBondContact CE-OD2 3.35Å; K143-D186 IonicContact NZ-OD1 3.93Å; K143-D186 PolarHBondContact NZ-OD1 3.41Å; K143-D186 IonicContact NZ-OD2 2.73Å; K143-D186 PolarHBondContact NZ-OD2 2.87Å; N184-D186 PolarHBondContact O-N 2.68Å; D186-L190 WeakPolarHBondContact O-CG 3.41Å; D186-L190 PolarHBondContact O-N 2.83Å
187A93Very high89.2Confident1 Ų150.9 Ų50.91%0.00828%0.279CS..Hα-helixtrans-67.1-45.3177.800000112.2V38 A174 S185 S191V38-A187 HydrophobicContact CG1-CB 4.19Å; A174-A187 HydrophobicContact CB-CB 4.13Å; S185-A187 PolarHBondContact O-N 2.97Å; S185-A187 PolarHBondContact OG-N 3.31Å; A187-S191 WeakPolarHBondContact O-CB 3.37Å; A187-S191 PolarHBondContact O-N 3.3Å; A187-S191 PolarHBondContact O-OG 2.77Å
188L92.1Very high89Confident7 Ų750.4 Ų50.44%0.03728%0.276CS..Hα-helixtrans-71.9-33.7177.8-69.3174000112A174 L182 S185 S191 K192 L226 L228 Y232A174-L188 HydrophobicContact CB-CD2 3.8Å; A174-L188 HydrophobicContact CB-CG 4.44Å; L182-L188 HydrophobicContact CD1-CD1 3.53Å; L182-L188 HydrophobicContact CD2-CD1 3.87Å; L182-L188 HydrophobicContact CG-CD1 3.53Å; S185-L188 PolarHBondContact O-N 2.93Å; S185-L188 PolarHBondContact OG-N 3.38Å; L188-S191 WeakPolarHBondContact CA-OG 3.37Å; L188-S191 PolarHBondContact O-N 2.69Å; L188-S191 PolarHBondContact O-OG 2.7Å; L188-K192 WeakPolarHBondContact O-CB 3.26Å; L188-K192 PolarHBondContact O-N 2.98Å; L188-L226 HydrophobicContact CD1-CD1 4.44Å; L188-L228 HydrophobicContact CD2-CD1 4.11Å; L188-Y232 HydrophobicContact CD1-CE1 4.29Å; L188-Y232 HydrophobicContact CD2-CE1 4.42Å
189K91.6Very high89Confident135 Ų13552.4 Ų52.459%0.58728%0.284SS*.Hα-helixtrans-60.1-51.4172.4-175178.4178.4-178.60110.7S185 S191 K192 E193S185-K189 WeakPolarHBondContact O-CB 3.28Å; S185-K189 PolarHBondContact O-N 2.89Å; K189-S191 PolarHBondContact O-N 3.26Å; K189-K192 PolarHBondContact O-N 3.12Å; K189-E193 WeakPolarHBondContact O-CG 3.1Å; K189-E193 PolarHBondContact O-N 2.87Å
190L92.4Very high89.3Confident1 Ų149.6 Ų49.61%0.00527%0.268CS..Hα-helixtrans-60.7-43.1176.2-79.6-177.6000112.4V38 M141 R158 I161 L162 I165 D186 K192 E193V38-L190 HydrophobicContact CG1-CD1 4.06Å; M141-L190 HydrophobicContact CE-CD1 3.98Å; M141-L190 HydrophobicContact CE-CG 4.28Å; M141-L190 HydrophobicContact CG-CD1 4.31Å; M141-L190 HydrophobicContact SD-CD1 3.26Å; M141-L190 WeakPolarHBondContact SD-CD1 3.39Å; M141-L190 HydrophobicContact SD-CG 3.97Å; R158-L190 HydrophobicContact CG-CD2 4.15Å; I161-L190 HydrophobicContact CB-CD1 4.5Å; I161-L190 HydrophobicContact CD1-CD1 4.15Å; I161-L190 HydrophobicContact CG2-CD1 3.91Å; L162-L190 HydrophobicContact CD2-CD2 4.38Å; I165-L190 HydrophobicContact CD1-CB 4.14Å; D186-L190 WeakPolarHBondContact O-CG 3.41Å; D186-L190 PolarHBondContact O-N 2.83Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 2.82Å; L190-E193 PolarHBondContact O-N 2.97Å
191S93.4Very high89.9Confident4 Ų447 Ų473%0.02825%0.25CC..Hα-helixtrans-63.8-39.2178.670.60000111.5A187 L188 K189 E193 V194 D195A187-S191 WeakPolarHBondContact O-CB 3.37Å; A187-S191 PolarHBondContact O-N 3.3Å; A187-S191 PolarHBondContact O-OG 2.77Å; L188-S191 WeakPolarHBondContact CA-OG 3.37Å; L188-S191 PolarHBondContact O-N 2.69Å; L188-S191 PolarHBondContact O-OG 2.7Å; K189-S191 PolarHBondContact O-N 3.26Å; S191-E193 VanDerWaalsContact C-N 3.28Å; S191-E193 PolarHBondContact O-N 3.36Å; S191-V194 PolarHBondContact O-N 2.89Å; S191-D195 CarbonylContact O-C 3.54Å; S191-D195 WeakPolarHBondContact O-CA 3.43Å; S191-D195 WeakPolarHBondContact O-CB 3.48Å; S191-D195 PolarHBondContact O-N 2.85Å
192K91.3Very high90.7Very high86 Ų8642.5 Ų42.537%0.37423%0.226SC..Hα-helixtrans-66.5-28.8179-164.274.1173.4-176.70112.6L188 K189 L190 V194 P196L188-K192 WeakPolarHBondContact O-CB 3.26Å; L188-K192 PolarHBondContact O-N 2.98Å; K189-K192 PolarHBondContact O-N 3.12Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 2.82Å; K192-V194 VanDerWaalsContact C-N 3.34Å; K192-P196 WeakPolarHBondContact CD-O 3.4Å; K192-P196 WeakPolarHBondContact CE-O 3.39Å; K192-P196 PolarHBondContact NZ-O 2.77Å; K192-P196 VanDerWaalsContact O-CA 3.26Å; K192-P196 WeakPolarHBondContact O-CA 3.36Å; K192-P196 WeakPolarHBondContact O-CG 3.05Å
193E93.6Very high91.6Very high85 Ų8542 Ų4240%0.39722%0.223SC..Hα-helixtrans-65.9-35.4175.4-69.2175.5-15700112.5R158 K189 L190 S191R158-E193 IonicContact CZ-OE1 3.76Å; R158-E193 IonicContact CZ-OE2 3.83Å; R158-E193 IonicContact NH1-OE1 3.41Å; R158-E193 PolarHBondContact NH1-OE1 3.25Å; R158-E193 IonicContact NH1-OE2 2.79Å; R158-E193 PolarHBondContact NH1-OE2 3.15Å; R158-E193 IonicContact NH2-OE1 4Å; R158-E193 PolarHBondContact NH2-OE1 3.07Å; R158-E193 IonicContact NH2-OE2 3.65Å; R158-E193 PolarHBondContact NH2-OE2 2.97Å; K189-E193 WeakPolarHBondContact O-CG 3.1Å; K189-E193 PolarHBondContact O-N 2.87Å; L190-E193 PolarHBondContact O-N 2.97Å; S191-E193 VanDerWaalsContact C-N 3.28Å; S191-E193 PolarHBondContact O-N 3.36Å
194V94.3Very high92.5Very high35 Ų3538.4 Ų38.421%0.21219%0.193CC..Hα-helixtrans-108.3-13.6-176.3-59.10000114.4L162 I165 I172 S191 K192 R200L162-V194 HydrophobicContact CD2-CG1 3.77Å; I165-V194 HydrophobicContact CB-CG2 4.33Å; I165-V194 HydrophobicContact CD1-CG2 3.84Å; I165-V194 HydrophobicContact CG1-CG1 4.43Å; I165-V194 HydrophobicContact CG1-CG2 3.96Å; I172-V194 HydrophobicContact CD1-CG2 3.57Å; S191-V194 PolarHBondContact O-N 2.89Å; K192-V194 VanDerWaalsContact C-N 3.34Å; V194-R200 PolarHBondContact O-NH2 2.82Å
195D94.9Very high93Very high10 Ų1033 Ų335%0.05317%0.165CC..  trans-140.668.9176.5-179.225.4000109.4I172 S191 Q197 G198 L199 R200 T201I172-D195 HydrophobicContact CD1-CB 4.38Å; S191-D195 CarbonylContact O-C 3.54Å; S191-D195 WeakPolarHBondContact O-CA 3.43Å; S191-D195 WeakPolarHBondContact O-CB 3.48Å; S191-D195 PolarHBondContact O-N 2.85Å; D195-Q197 PolarHBondContact O-N 2.99Å; D195-Q197 VanDerWaalsContact O-N 3.13Å; D195-G198 PolarHBondContact O-N 2.72Å; D195-G198 PolarHBondContact OD1-N 2.97Å; D195-G198 VanDerWaalsContact OD2-CA 3.26Å; D195-G198 WeakPolarHBondContact OD2-CA 3.21Å; D195-L199 PolarHBondContact OD1-N 3.31Å; D195-L199 PolarHBondContact OD2-N 2.68Å; D195-R200 HydrophobicContact CB-CG 4.06Å; D195-R200 WeakPolarHBondContact OD2-CG 3.47Å; D195-R200 PolarHBondContact OD2-N 3.34Å; D195-T201 WeakPolarHBondContact OD2-CB 3.44Å; D195-T201 PolarHBondContact OD2-N 3.02Å; D195-T201 PolarHBondContact OD2-OG1 3.22Å
196P92Very high93.4Very high78 Ų7832.5 Ų32.551%0.50616%0.161SC..THydrogen-bonded Turntrans-59.1-28.2-176.1-23.733000113.6K192K192-P196 WeakPolarHBondContact CD-O 3.4Å; K192-P196 WeakPolarHBondContact CE-O 3.39Å; K192-P196 PolarHBondContact NZ-O 2.77Å; K192-P196 VanDerWaalsContact O-CA 3.26Å; K192-P196 WeakPolarHBondContact O-CA 3.36Å; K192-P196 WeakPolarHBondContact O-CG 3.05Å
197Q89.6Confident93.6Very high131 Ų13134.1 Ų34.161%0.61217%0.167SC*.THydrogen-bonded Turntrans-90.3-0.8179.9-69.1170.3-10.300112.7D195 L199D195-Q197 PolarHBondContact O-N 2.99Å; D195-Q197 VanDerWaalsContact O-N 3.13Å; Q197-L199 HydrophobicContact CB-CD1 4.17Å; Q197-L199 HydrophobicContact CB-CD2 4.12Å; Q197-L199 HydrophobicContact CB-CG 3.7Å; Q197-L199 PolarHBondContact O-N 3.36Å
198G90.7Very high93.6Very high2 Ų234.2 Ų34.22%0.02117%0.167CC..  trans58.831.4179.600000113.6D195 R229D195-G198 PolarHBondContact O-N 2.72Å; D195-G198 PolarHBondContact OD1-N 2.97Å; D195-G198 VanDerWaalsContact OD2-CA 3.26Å; D195-G198 WeakPolarHBondContact OD2-CA 3.21Å; G198-R229 WeakPolarHBondContact O-CB 3.21Å; G198-R229 PolarHBondContact O-N 3.33Å
199L90.7Very high93.6Very high56 Ų5637.1 Ų37.129%0.29318%0.182SC..SBendtrans-76.8-31.8-173.8-61.4-179000112.6D195 Q197 R229 R230D195-L199 PolarHBondContact OD1-N 3.31Å; D195-L199 PolarHBondContact OD2-N 2.68Å; Q197-L199 HydrophobicContact CB-CD1 4.17Å; Q197-L199 HydrophobicContact CB-CD2 4.12Å; Q197-L199 HydrophobicContact CB-CG 3.7Å; Q197-L199 PolarHBondContact O-N 3.36Å; L199-R229 HydrophobicContact CD2-CB 4.41Å; L199-R230 PolarHBondContact O-NE 3.37Å; L199-R230 PolarHBondContact O-NH2 2.87Å
200R93.4Very high93.5Very high23 Ų2335.6 Ų35.69%0.08718%0.18CC..SBendtrans-117.33-176.660.8-177.1-178.893.82.2113.2I165 Q167 C170 L171 I172 V194 D195I165-R200 VanDerWaalsContact O-CZ 3.28Å; I165-R200 PolarHBondContact O-NH1 3.41Å; I165-R200 PolarHBondContact O-NH2 3.48Å; Q167-R200 PolarHBondContact O-NH1 2.84Å; C170-R200 WeakPolarHBondContact O-CD 3.5Å; C170-R200 PolarHBondContact O-NH1 3.12Å; L171-R200 HydrophobicContact CD2-CB 3.84Å; I172-R200 PolarHBondContact N-O 3.48Å; V194-R200 PolarHBondContact O-NH2 2.82Å; D195-R200 HydrophobicContact CB-CG 4.06Å; D195-R200 WeakPolarHBondContact OD2-CG 3.47Å; D195-R200 PolarHBondContact OD2-N 3.34Å
201T96Very high93.4Very high0 Ų037.3 Ų37.30%019%0.189CC..EExtended strand (participates in β ladder)trans-91.2134.5175.7-54.20000111.6I172 A174 D195 L228I172-T201 HydrophobicContact CB-CG2 4.34Å; I172-T201 HydrophobicContact CG2-CG2 4.41Å; I172-T201 CarbonylContact O-C 3.43Å; I172-T201 WeakPolarHBondContact O-CA 3.27Å; A174-T201 HydrophobicContact CB-CG2 3.97Å; D195-T201 WeakPolarHBondContact OD2-CB 3.44Å; D195-T201 PolarHBondContact OD2-N 3.02Å; D195-T201 PolarHBondContact OD2-OG1 3.22Å; T201-L228 HydrophobicContact CG2-CD1 3.93Å; T201-L228 HydrophobicContact CG2-CD2 4.11Å
202I96.4Very high93.1Very high1 Ų143 Ų431%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-117122.9174.5-54.3172.4000107.2I172 L173 A174 R230 L282 Q285I172-I202 PolarHBondContact O-N 2.94Å; L173-I202 HydrophobicContact CD1-CB 3.91Å; L173-I202 HydrophobicContact CD1-CG2 3.87Å; A174-I202 PolarHBondContact N-O 3.15Å; I202-R230 HydrophobicContact CB-CB 4.5Å; I202-R230 HydrophobicContact CG1-CB 3.75Å; I202-R230 HydrophobicContact CG1-CG 4.28Å; I202-L282 HydrophobicContact CD1-CD2 3.59Å; I202-L282 HydrophobicContact CG2-CD2 4.44Å; I202-Q285 HydrophobicContact CD1-CB 4.32Å; I202-Q285 HydrophobicContact CD1-CG 4.32Å
203G96.1Very high92.8Very high0 Ų048.6 Ų48.60%025%0.246CC..EExtended strand (participates in β ladder)trans-85.1133.1178.100000111.8G231 Y232 I233G203-G231 PolarHBondContact N-O 2.82Å; G203-Y232 CarbonylContact O-C 3.54Å; G203-Y232 VanDerWaalsContact O-CA 3.28Å; G203-Y232 WeakPolarHBondContact O-CA 3.45Å; G203-I233 PolarHBondContact O-N 3.04Å
204V97.5Very high92.3Very high1 Ų148.8 Ų48.81%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-121.6122.8170.3176.80000109.1L173 A174 V175 S176 T206 I233 V235 L278L173-V204 HydrophobicContact CD1-CG2 3.39Å; L173-V204 HydrophobicContact CD2-CG2 4.46Å; L173-V204 HydrophobicContact CG-CG2 3.95Å; A174-V204 PolarHBondContact O-N 2.94Å; V175-V204 WeakPolarHBondContact CA-O 3.32Å; V175-V204 HydrophobicContact CG1-CG1 4.49Å; V175-V204 HydrophobicContact CG2-CB 4.27Å; S176-V204 PolarHBondContact N-O 3.45Å; V204-T206 HydrophobicContact CG1-CG2 4.13Å; V204-I233 WeakPolarHBondContact CA-O 3.24Å; V204-V235 HydrophobicContact CG1-CG1 4.43Å; V204-V235 HydrophobicContact CG1-CG2 3.8Å; V204-L278 HydrophobicContact CG1-CD2 4.08Å; V204-L278 HydrophobicContact CG2-CD1 3.8Å; V204-L278 HydrophobicContact CG2-CD2 3.86Å
205V96.2Very high92Very high2 Ų250.5 Ų50.51%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-104.9113.4179.4-174.80000108.9S176 A178 L208 A217 I220 L221 Y232 I233 G234 V235S176-V205 CarbonylContact O-C 3.57Å; S176-V205 WeakPolarHBondContact O-CA 3.47Å; A178-V205 HydrophobicContact CB-CG1 3.64Å; V205-L208 HydrophobicContact CG1-CD2 3.8Å; V205-L208 HydrophobicContact CG1-CG 4.16Å; V205-A217 HydrophobicContact CG1-CB 4.49Å; V205-I220 HydrophobicContact CG2-CG2 3.81Å; V205-L221 HydrophobicContact CB-CD2 4.04Å; V205-L221 HydrophobicContact CG2-CD2 3.93Å; V205-Y232 HydrophobicContact CG2-CD1 3.92Å; V205-I233 PolarHBondContact N-O 2.98Å; V205-G234 CarbonylContact O-C 3.44Å; V205-G234 WeakPolarHBondContact O-CA 3.44Å; V205-V235 PolarHBondContact O-N 3.04Å
206T95.8Very high91.7Very high0 Ų053.1 Ų53.10%030%0.296CS..EExtended strand (participates in β ladder)trans-101.5173179.770.70000111A43 V48 V175 S176 P177 A178 V204 L208 V235A43-T206 WeakPolarHBondContact O-CB 3.39Å; A43-T206 WeakPolarHBondContact O-CG2 3.28Å; A43-T206 PolarHBondContact O-OG1 2.91Å; V48-T206 HydrophobicContact CG2-CG2 4.26Å; V175-T206 HydrophobicContact CG1-CG2 3.53Å; S176-T206 PolarHBondContact O-N 3.49Å; P177-T206 WeakPolarHBondContact CA-OG1 3.11Å; A178-T206 VanDerWaalsContact CB-O 3.25Å; A178-T206 WeakPolarHBondContact CB-O 3.46Å; A178-T206 PolarHBondContact N-O 3.19Å; V204-T206 HydrophobicContact CG1-CG2 4.13Å; T206-L208 PolarHBondContact O-N 3.39Å; T206-V235 HydrophobicContact CG2-CG2 3.74Å
207K93.8Very high91.7Very high58 Ų5849.5 Ų49.525%0.25227%0.273SS..  trans57.131.9173.5-53.8-175-170.6175.70114.5S42 P177 D209 L210S42-K207 WeakPolarHBondContact O-CE 3.49Å; S42-K207 PolarHBondContact O-NZ 3.29Å; P177-K207 HydrophobicContact CB-CB 4.48Å; P177-K207 HydrophobicContact CB-CD 3.86Å; P177-K207 HydrophobicContact CB-CG 4.32Å; K207-D209 WeakPolarHBondContact CA-OD1 3.26Å; K207-D209 PolarHBondContact O-N 2.82Å; K207-L210 HydrophobicContact CB-CB 4.37Å; K207-L210 HydrophobicContact CB-CD1 4.36Å; K207-L210 HydrophobicContact CD-CD1 4.32Å; K207-L210 HydrophobicContact CG-CD1 4.43Å; K207-L210 PolarHBondContact O-N 2.88Å
208L93.1Very high91.8Very high3 Ų348.3 Ų48.32%0.01626%0.262CS..G310 helixtrans-62.1-22175.9-71.9164.1000112.6A178 V205 T206 L210 M211 A217 L221 V236 F259 F260 Y266A178-L208 HydrophobicContact CB-CD2 3.69Å; A178-L208 HydrophobicContact CB-CG 4.14Å; V205-L208 HydrophobicContact CG1-CD2 3.8Å; V205-L208 HydrophobicContact CG1-CG 4.16Å; T206-L208 PolarHBondContact O-N 3.39Å; L208-L210 VanDerWaalsContact C-N 3.33Å; L208-M211 HydrophobicContact CD2-SD 3.97Å; L208-M211 WeakPolarHBondContact O-CG 3.48Å; L208-A217 HydrophobicContact CD2-CB 3.57Å; L208-L221 HydrophobicContact CD1-CD1 4.19Å; L208-L221 HydrophobicContact CD2-CD1 4.25Å; L208-V236 HydrophobicContact CB-CG2 4.33Å; L208-F259 HydrophobicContact CB-CE1 3.88Å; L208-F259 HydrophobicContact CB-CZ 3.97Å; L208-F260 HydrophobicContact CD1-CE1 3.76Å; L208-F260 HydrophobicContact CD1-CZ 3.76Å; L208-Y266 HydrophobicContact CD2-CE2 4.45Å
209D91.8Very high91.8Very high68 Ų6853.7 Ų53.736%0.36429%0.287SS..G310 helixtrans-78-14.2175.460.8-51.6000114K207 V236 F259K207-D209 WeakPolarHBondContact CA-OD1 3.26Å; K207-D209 PolarHBondContact O-N 2.82Å; D209-V236 HydrophobicContact CB-CG1 4.08Å; D209-F259 HydrophobicContact CB-CD2 4.47Å; D209-F259 HydrophobicContact CB-CE2 4.08Å
210L90.6Very high91.8Very high103 Ų10352.1 Ų52.154%0.53928%0.279SS..G310 helixtrans-109.722.2-179-58.4179.1000112.6N179 K207 L208N179-L210 WeakPolarHBondContact CB-O 3.49Å; K207-L210 HydrophobicContact CB-CB 4.37Å; K207-L210 HydrophobicContact CB-CD1 4.36Å; K207-L210 HydrophobicContact CD-CD1 4.32Å; K207-L210 HydrophobicContact CG-CD1 4.43Å; K207-L210 PolarHBondContact O-N 2.88Å; L208-L210 VanDerWaalsContact C-N 3.33Å
211M90Very high91.8Very high37 Ų3751.6 Ų51.618%0.18228%0.278CS..SBendtrans-76.3150.3174.3-63.7-170.571.800111.1A178 L208 A217 Y266A178-M211 HydrophobicContact CB-CE 4.43Å; A178-M211 HydrophobicContact CB-CG 3.78Å; A178-M211 HydrophobicContact CB-SD 3.74Å; L208-M211 HydrophobicContact CD2-SD 3.97Å; L208-M211 WeakPolarHBondContact O-CG 3.48Å; M211-A217 HydrophobicContact CE-CB 4.09Å; M211-A217 HydrophobicContact SD-CB 3.96Å; M211-Y266 PolarHBondContact SD-OH 2.78Å
212D87.9Confident91.6Very high125 Ų12553.3 Ų53.367%0.66829%0.286SS*.PPolyproline II helixtrans-62.5140.2176.4-69-36.7000110.6G214 T215D212-G214 PolarHBondContact O-N 2.81Å; D212-T215 HydrophobicContact CB-CG2 4.24Å; D212-T215 PolarHBondContact N-OG1 2.88Å; D212-T215 PolarHBondContact O-N 3Å; D212-T215 PolarHBondContact O-OG1 3.14Å
213Q84Confident91.4Very high202 Ų20255.1 Ų55.194%0.94430%0.295SS*.THydrogen-bonded Turntrans-58.3129-178.6-68.1-177.39.400110.9
214G83.3Confident91.1Very high89 Ų8962.5 Ų62.592%0.91832%0.323SS*.THydrogen-bonded Turntrans90.6-4.5-17700000114.5D212D212-G214 PolarHBondContact O-N 2.81Å
215T87.2Confident90.4Very high71 Ų7166 Ų6644%0.43634%0.342SS..  trans-103.1156.4171.169.80000111.1D212D212-T215 HydrophobicContact CB-CG2 4.24Å; D212-T215 PolarHBondContact N-OG1 2.88Å; D212-T215 PolarHBondContact O-N 3Å; D212-T215 PolarHBondContact O-OG1 3.14Å
216D89.9Confident89.8Confident65 Ų6568.4 Ų68.435%0.34835%0.354SS..  trans-148.1164.6170.267.947.2000111R218 S265 Y266D216-R218 VanDerWaalsContact C-N 3.32Å; D216-R218 WeakPolarHBondContact OD1-CB 3.31Å; D216-R218 PolarHBondContact OD1-N 2.8Å; D216-S265 WeakPolarHBondContact OD2-CB 3.18Å; D216-S265 PolarHBondContact OD2-OG 2.93Å; D216-Y266 WeakPolarHBondContact CA-OH 3.39Å; D216-Y266 HydrophobicContact CB-CE1 4.16Å; D216-Y266 WeakPolarHBondContact CB-OH 3.44Å
217A91.5Very high89.6Confident3 Ų368.9 Ų68.93%0.02536%0.357CS..  trans-98.223.717800000111.5V205 L208 M211 E219 I220 L221 Y266V205-A217 HydrophobicContact CG1-CB 4.49Å; L208-A217 HydrophobicContact CD2-CB 3.57Å; M211-A217 HydrophobicContact CE-CB 4.09Å; M211-A217 HydrophobicContact SD-CB 3.96Å; A217-E219 PolarHBondContact O-N 2.84Å; A217-I220 HydrophobicContact CB-CD1 4.28Å; A217-I220 WeakPolarHBondContact O-CB 3.32Å; A217-I220 PolarHBondContact O-N 3.11Å; A217-I220 VanDerWaalsContact O-N 3.15Å; A217-L221 HydrophobicContact CB-CG 4.47Å; A217-L221 WeakPolarHBondContact O-CG 3.45Å; A217-L221 PolarHBondContact O-N 3.41Å; A217-Y266 PolarHBondContact N-OH 2.87Å
218R91.4Very high89.6Confident105 Ų10566.4 Ų66.440%0.39635%0.346SS..Hα-helixtrans-60.7-44.7-169.5-177.2-180173.1-166.8-4.8112.1D216 I220 L221 E222 M269D216-R218 VanDerWaalsContact C-N 3.32Å; D216-R218 WeakPolarHBondContact OD1-CB 3.31Å; D216-R218 PolarHBondContact OD1-N 2.8Å; R218-I220 PolarHBondContact O-N 2.82Å; R218-L221 PolarHBondContact O-N 3.02Å; R218-E222 HydrophobicContact CG-CG 4.16Å; R218-E222 WeakPolarHBondContact CG-OE1 3.4Å; R218-E222 IonicContact CZ-OE1 3.2Å; R218-E222 IonicContact NE-OE1 2.89Å; R218-E222 PolarHBondContact NE-OE1 2.86Å; R218-E222 IonicContact NE-OE2 2.79Å; R218-E222 IonicContact NH2-OE1 3.94Å; R218-E222 PolarHBondContact NH2-OE1 2.94Å; R218-E222 VanDerWaalsContact NH2-OE1 3.15Å; R218-E222 VanDerWaalsContact O-CB 3.29Å; R218-E222 WeakPolarHBondContact O-CB 3.29Å; R218-E222 VanDerWaalsContact O-CG 3.27Å; R218-E222 WeakPolarHBondContact O-CG 3.28Å; R218-E222 PolarHBondContact O-N 3.44Å; R218-M269 HydrophobicContact CG-CE 4.23Å
219E90.1Very high89.4Confident116 Ų11669.1 Ų69.154%0.54236%0.357SS..Hα-helixtrans-64-29.8-179.9-62.6-171.2165.700112.9A217 N223 R224 L225A217-E219 PolarHBondContact O-N 2.84Å; E219-N223 PolarHBondContact O-N 3.2Å; E219-R224 PolarHBondContact O-N 3.19Å; E219-L225 HydrophobicContact CB-CB 4.5Å; E219-L225 PolarHBondContact O-N 3.19Å
220I90.9Very high89.4Confident23 Ų2368 Ų6812%0.11835%0.347CS..Hα-helixtrans-73.2-51.2175.6-59.4166.7000109.7L182 V205 A217 R218 E222 N223 L225 Y232L182-I220 HydrophobicContact CB-CD1 3.78Å; L182-I220 HydrophobicContact CD2-CB 4.23Å; L182-I220 HydrophobicContact CD2-CD1 3.82Å; L182-I220 HydrophobicContact CD2-CG1 3.74Å; L182-I220 HydrophobicContact CD2-CG2 3.53Å; L182-I220 HydrophobicContact CG-CD1 4.26Å; V205-I220 HydrophobicContact CG2-CG2 3.81Å; A217-I220 HydrophobicContact CB-CD1 4.28Å; A217-I220 WeakPolarHBondContact O-CB 3.32Å; A217-I220 PolarHBondContact O-N 3.11Å; A217-I220 VanDerWaalsContact O-N 3.15Å; R218-I220 PolarHBondContact O-N 2.82Å; I220-E222 VanDerWaalsContact C-N 3.27Å; I220-E222 PolarHBondContact O-N 3.33Å; I220-N223 WeakPolarHBondContact O-CA 3.3Å; I220-N223 PolarHBondContact O-N 3.42Å; I220-L225 HydrophobicContact CD1-CD2 4.43Å; I220-L225 HydrophobicContact CG1-CB 4.38Å; I220-L225 HydrophobicContact CG1-CD2 3.92Å; I220-Y232 HydrophobicContact CG2-CD1 3.75Å; I220-Y232 HydrophobicContact CG2-CD2 4.34Å; I220-Y232 HydrophobicContact CG2-CE1 4.01Å; I220-Y232 HydrophobicContact CG2-CG 3.94Å; I220-Y232 VanDerWaalsContact O-CD2 3.23Å; I220-Y232 WeakPolarHBondContact O-CD2 3.39Å
221L93.3Very high89.6Confident11 Ų1163.7 Ų63.76%0.05833%0.328CS..Hα-helixtrans-67.6-27.1-178.9-63.8179.2000112.7V205 L208 A217 R218 N223 Y266 M269 M273V205-L221 HydrophobicContact CB-CD2 4.04Å; V205-L221 HydrophobicContact CG2-CD2 3.93Å; L208-L221 HydrophobicContact CD1-CD1 4.19Å; L208-L221 HydrophobicContact CD2-CD1 4.25Å; A217-L221 HydrophobicContact CB-CG 4.47Å; A217-L221 WeakPolarHBondContact O-CG 3.45Å; A217-L221 PolarHBondContact O-N 3.41Å; R218-L221 PolarHBondContact O-N 3.02Å; L221-N223 PolarHBondContact O-N 2.97Å; L221-Y266 HydrophobicContact CD1-CD1 3.84Å; L221-Y266 HydrophobicContact CD1-CE1 3.81Å; L221-M269 HydrophobicContact CB-CE 4.12Å; L221-M269 HydrophobicContact CB-SD 3.6Å; L221-M269 HydrophobicContact CD1-SD 4.04Å; L221-M269 HydrophobicContact CG-SD 4.48Å; L221-M273 HydrophobicContact CB-CE 4.21Å; L221-M273 HydrophobicContact CD1-SD 4.2Å; L221-M273 HydrophobicContact CD2-CE 4.4Å; L221-M273 HydrophobicContact CD2-SD 4.04Å
222E92.9Very high89.9Confident37 Ų3762.5 Ų62.517%0.17332%0.322CS..THydrogen-bonded Turntrans-802169.5-68.2-178.2176.300113R218 I220 R224 H268 M269R218-E222 HydrophobicContact CG-CG 4.16Å; R218-E222 WeakPolarHBondContact CG-OE1 3.4Å; R218-E222 IonicContact CZ-OE1 3.2Å; R218-E222 IonicContact NE-OE1 2.89Å; R218-E222 PolarHBondContact NE-OE1 2.86Å; R218-E222 IonicContact NE-OE2 2.79Å; R218-E222 IonicContact NH2-OE1 3.94Å; R218-E222 PolarHBondContact NH2-OE1 2.94Å; R218-E222 VanDerWaalsContact NH2-OE1 3.15Å; R218-E222 VanDerWaalsContact O-CB 3.29Å; R218-E222 WeakPolarHBondContact O-CB 3.29Å; R218-E222 VanDerWaalsContact O-CG 3.27Å; R218-E222 WeakPolarHBondContact O-CG 3.28Å; R218-E222 PolarHBondContact O-N 3.44Å; I220-E222 VanDerWaalsContact C-N 3.27Å; I220-E222 PolarHBondContact O-N 3.33Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 HydrophobicContact CB-CG 4.18Å; E222-R224 PolarHBondContact O-N 3.25Å; E222-R224 IonicContact OE2-CZ 3.25Å; E222-R224 IonicContact OE2-NE 3.94Å; E222-R224 PolarHBondContact OE2-NE 3.07Å; E222-R224 IonicContact OE2-NH1 2.86Å; E222-R224 PolarHBondContact OE2-NH1 3.15Å; E222-R224 IonicContact OE2-NH2 3.66Å; E222-R224 PolarHBondContact OE2-NH2 3.18Å; E222-H268 IonicContact OE1-CE1 2.71Å; E222-H268 PolarHBondContact OE1-CE1 2.81Å; E222-H268 IonicContact OE1-NE2 2.67Å; E222-H268 PolarHBondContact OE1-NE2 3.2Å; E222-H268 VanDerWaalsContact OE1-NE2 3.17Å; E222-M269 HydrophobicContact CG-CE 3.54Å
223N92.1Very high90.3Very high39 Ų3956.9 Ų56.921%0.20929%0.292CS..THydrogen-bonded Turntrans61.134.4177-15946.8000113.9E219 I220 L221 P227 L228 Y232E219-N223 PolarHBondContact O-N 3.2Å; I220-N223 WeakPolarHBondContact O-CA 3.3Å; I220-N223 PolarHBondContact O-N 3.42Å; L221-N223 PolarHBondContact O-N 2.97Å; N223-P227 WeakPolarHBondContact OD1-CA 3.49Å; N223-L228 PolarHBondContact ND2-O 3.31Å; N223-L228 PolarHBondContact OD1-N 3.32Å; N223-L228 PolarHBondContact OD1-O 2.77Å; N223-Y232 HydrophobicContact CB-CD2 4.48Å; N223-Y232 VanDerWaalsContact OD1-CD2 3.3Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.2Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.27Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.19Å
224R89.4Confident90.9Very high155 Ų15547.2 Ų47.259%0.58525%0.247SC*.  trans-97.4-40.6-177.7-62.8-172.6-176.1158.113.6113.7E219 E222E219-R224 PolarHBondContact O-N 3.19Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 HydrophobicContact CB-CG 4.18Å; E222-R224 PolarHBondContact O-N 3.25Å; E222-R224 IonicContact OE2-CZ 3.25Å; E222-R224 IonicContact OE2-NE 3.94Å; E222-R224 PolarHBondContact OE2-NE 3.07Å; E222-R224 IonicContact OE2-NH1 2.86Å; E222-R224 PolarHBondContact OE2-NH1 3.15Å; E222-R224 IonicContact OE2-NH2 3.66Å; E222-R224 PolarHBondContact OE2-NH2 3.18Å
225L82.2Confident91.6Very high75 Ų7543 Ų4339%0.39320%0.203SC..SBendtrans-73.3-48-173.4-175.170.6000113.2E219 I220 W756E219-L225 HydrophobicContact CB-CB 4.5Å; E219-L225 PolarHBondContact O-N 3.19Å; I220-L225 HydrophobicContact CD1-CD2 4.43Å; I220-L225 HydrophobicContact CG1-CB 4.38Å; I220-L225 HydrophobicContact CG1-CD2 3.92Å; L225-W756 WeakPolarHBondContact O-CH2 3.29Å; L225-W756 WeakPolarHBondContact O-CZ2 3.29Å
226L84.9Confident92Very high51 Ų5140.5 Ų40.527%0.26719%0.187SC..SBendtrans-137.581.5178.3-162.7161.9000107.9L182 L188 L228 Y232L182-L226 HydrophobicContact CD2-CB 4.5Å; L188-L226 HydrophobicContact CD1-CD1 4.44Å; L226-L228 HydrophobicContact CD2-CD2 4.27Å; L226-L228 PolarHBondContact O-N 3.12Å; L226-Y232 WeakPolarHBondContact O-CE2 3.23Å; L226-Y232 VanDerWaalsContact O-CZ 3.29Å; L226-Y232 PolarHBondContact O-OH 2.66Å
227P90.2Very high92.1Very high11 Ų1138.4 Ų38.47%0.07118%0.176CC..  trans-62.8130.8-168.320.2-29.8000112.5N223 V752 W756N223-P227 WeakPolarHBondContact OD1-CA 3.49Å; P227-V752 HydrophobicContact CB-CB 3.94Å; P227-V752 HydrophobicContact CB-CG1 3.3Å; P227-V752 HydrophobicContact CB-CG2 4.14Å; P227-V752 HydrophobicContact CG-CG1 3.9Å; P227-W756 HydrophobicContact CG-CZ2 4.36Å
228L93.8Very high92.1Very high5 Ų539.1 Ų39.13%0.02618%0.178CC..  trans-112.8143167.5-62.5176.8000108.9L188 T201 N223 L226 R230 G231 Y232L188-L228 HydrophobicContact CD2-CD1 4.11Å; T201-L228 HydrophobicContact CG2-CD1 3.93Å; T201-L228 HydrophobicContact CG2-CD2 4.11Å; N223-L228 PolarHBondContact ND2-O 3.31Å; N223-L228 PolarHBondContact OD1-N 3.32Å; N223-L228 PolarHBondContact OD1-O 2.77Å; L226-L228 HydrophobicContact CD2-CD2 4.27Å; L226-L228 PolarHBondContact O-N 3.12Å; L228-R230 PolarHBondContact O-N 2.94Å; L228-G231 PolarHBondContact O-N 3.2Å; L228-Y232 HydrophobicContact CB-CE2 4.27Å; L228-Y232 HydrophobicContact CD1-CE1 3.89Å; L228-Y232 HydrophobicContact CD1-CE2 3.88Å; L228-Y232 HydrophobicContact CG-CE2 3.83Å
229R90.3Very high91.9Very high60 Ų6036.4 Ų36.423%0.22618%0.175CC..THydrogen-bonded Turntrans-61.9-29.9-180-172.2173.4176.9-1700.3112.8G198 L199 P749 V752G198-R229 WeakPolarHBondContact O-CB 3.21Å; G198-R229 PolarHBondContact O-N 3.33Å; L199-R229 HydrophobicContact CD2-CB 4.41Å; R229-P749 PolarHBondContact NE-O 3.17Å; R229-P749 PolarHBondContact NH2-O 3.44Å; R229-P749 VanDerWaalsContact NH2-O 3.11Å; R229-V752 HydrophobicContact CB-CG2 4.49Å
230R92.1Very high91.6Very high44 Ų4436 Ų3617%0.16617%0.173CC..THydrogen-bonded Turntrans-96.62.3177.7-54-177.3-170.7-115.46.3113.1L199 I202 L228L199-R230 PolarHBondContact O-NE 3.37Å; L199-R230 PolarHBondContact O-NH2 2.87Å; I202-R230 HydrophobicContact CB-CB 4.5Å; I202-R230 HydrophobicContact CG1-CB 3.75Å; I202-R230 HydrophobicContact CG1-CG 4.28Å; L228-R230 PolarHBondContact O-N 2.94Å
231G93.6Very high91.4Very high14 Ų1444.8 Ų44.814%0.14421%0.205CC..  trans69.3-167.7174.800000114.8G203 L228G203-G231 PolarHBondContact N-O 2.82Å; L228-G231 PolarHBondContact O-N 3.2Å
232Y95.8Very high91.2Very high11 Ų1146.2 Ų46.24%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-118.6143.6178.5-68.4-96.3000110.9L182 L188 G203 V205 I220 N223 L226 L228L182-Y232 HydrophobicContact CD2-CE1 4.22Å; L188-Y232 HydrophobicContact CD1-CE1 4.29Å; L188-Y232 HydrophobicContact CD2-CE1 4.42Å; G203-Y232 CarbonylContact O-C 3.54Å; G203-Y232 VanDerWaalsContact O-CA 3.28Å; G203-Y232 WeakPolarHBondContact O-CA 3.45Å; V205-Y232 HydrophobicContact CG2-CD1 3.92Å; I220-Y232 HydrophobicContact CG2-CD1 3.75Å; I220-Y232 HydrophobicContact CG2-CD2 4.34Å; I220-Y232 HydrophobicContact CG2-CE1 4.01Å; I220-Y232 HydrophobicContact CG2-CG 3.94Å; I220-Y232 VanDerWaalsContact O-CD2 3.23Å; I220-Y232 WeakPolarHBondContact O-CD2 3.39Å; N223-Y232 HydrophobicContact CB-CD2 4.48Å; N223-Y232 VanDerWaalsContact OD1-CD2 3.3Å; N223-Y232 WeakPolarHBondContact OD1-CD2 3.2Å; N223-Y232 VanDerWaalsContact OD1-CE2 3.27Å; N223-Y232 WeakPolarHBondContact OD1-CE2 3.19Å; L226-Y232 WeakPolarHBondContact O-CE2 3.23Å; L226-Y232 VanDerWaalsContact O-CZ 3.29Å; L226-Y232 PolarHBondContact O-OH 2.66Å; L228-Y232 HydrophobicContact CB-CE2 4.27Å; L228-Y232 HydrophobicContact CD1-CE1 3.89Å; L228-Y232 HydrophobicContact CD1-CE2 3.88Å; L228-Y232 HydrophobicContact CG-CE2 3.83Å
233I97.6Very high90.8Very high7 Ų745.6 Ų45.64%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-125.2122.5173.4-57.8173.4000108.8G203 V204 V205 F277 L278 T281G203-I233 PolarHBondContact O-N 3.04Å; V204-I233 WeakPolarHBondContact CA-O 3.24Å; V205-I233 PolarHBondContact N-O 2.98Å; I233-F277 HydrophobicContact CD1-CD1 3.98Å; I233-F277 HydrophobicContact CD1-CE1 3.88Å; I233-F277 HydrophobicContact CG1-CD1 4.34Å; I233-F277 HydrophobicContact CG1-CE1 4.21Å; I233-F277 HydrophobicContact CG2-CD1 4.14Å; I233-L278 HydrophobicContact CB-CD1 4.18Å; I233-L278 HydrophobicContact CD1-CD1 3.72Å; I233-L278 HydrophobicContact CG1-CD1 4.49Å; I233-L278 HydrophobicContact CG2-CB 3.99Å; I233-L278 HydrophobicContact CG2-CD1 4.37Å; I233-T281 HydrophobicContact CD1-CG2 3.98Å
234G97Very high90.5Very high0 Ų050.2 Ų50.20%023%0.231CC..EExtended strand (participates in β ladder)trans-81.5137.3174.700000111.4V205 F260 M273 G274V205-G234 CarbonylContact O-C 3.44Å; V205-G234 WeakPolarHBondContact O-CA 3.44Å; G234-F260 WeakPolarHBondContact O-CZ 3.39Å; G234-M273 PolarHBondContact N-SD 3.45Å; G234-G274 PolarHBondContact O-N 3.15Å
235V97.4Very high90.3Very high0 Ų045.7 Ų45.70%023%0.233CC..  trans-134.9148.5175.4-60.50000111.1V48 V204 V205 T206 L278V48-V235 HydrophobicContact CG2-CG2 4Å; V204-V235 HydrophobicContact CG1-CG1 4.43Å; V204-V235 HydrophobicContact CG1-CG2 3.8Å; V205-V235 PolarHBondContact O-N 3.04Å; T206-V235 HydrophobicContact CG2-CG2 3.74Å; V235-L278 HydrophobicContact CG1-CB 4.35Å; V235-L278 HydrophobicContact CG1-CD2 3.83Å
236V95.3Very high90.4Very high18 Ų1852.3 Ų52.311%0.10925%0.252CS..  trans-120.8110.3174.9-178.40000108.6L208 D209 E256 F259 F260L208-V236 HydrophobicContact CB-CG2 4.33Å; D209-V236 HydrophobicContact CB-CG1 4.08Å; V236-E256 HydrophobicContact CB-CB 4.27Å; V236-E256 HydrophobicContact CB-CG 4.01Å; V236-E256 PolarHBondContact N-OE1 3.37Å; V236-F259 HydrophobicContact CG2-CD1 3.49Å; V236-F259 VanDerWaalsContact CG2-CD1 3.49Å; V236-F259 HydrophobicContact CG2-CE1 3.73Å; V236-F259 HydrophobicContact CG2-CG 4.05Å; V236-F259 HydrophobicContact CG2-CZ 4.46Å; V236-F260 HydrophobicContact CG2-CE2 4.15Å; V236-F260 HydrophobicContact CG2-CZ 4.14Å
237N93.1Very high90.5Very high21 Ų2153 Ų5311%0.11225%0.253CS..PPolyproline II helixtrans-90.6166.2-177.4-64.9-33.5000111.3N51N51-N237 PolarHBondContact ND2-OD1 3.32Å
238R91.4Very high90.3Very high18 Ų1857 Ų577%0.06827%0.274CS..PPolyproline II helixtrans-62136.9170.1-72.7-177.8-72.1152.812.4110.3D56 D242 I243 K247 A252D56-R238 VanDerWaalsContact CG-NH2 3.31Å; D56-R238 IonicContact OD1-CZ 2.89Å; D56-R238 IonicContact OD1-NH1 3.55Å; D56-R238 IonicContact OD1-NH2 3.02Å; D56-R238 PolarHBondContact OD1-NH2 3.3Å; D56-R238 IonicContact OD2-CZ 2.6Å; D56-R238 IonicContact OD2-NH1 3.61Å; D56-R238 PolarHBondContact OD2-NH1 3.35Å; D56-R238 IonicContact OD2-NH2 3.56Å; D56-R238 PolarHBondContact OD2-NH2 2.98Å; R238-D242 HydrophobicContact CB-CB 3.86Å; R238-D242 HydrophobicContact CG-CB 4.22Å; R238-I243 HydrophobicContact CB-CG1 4.06Å; R238-K247 WeakPolarHBondContact CD-O 3.49Å; R238-K247 PolarHBondContact NH1-O 3.42Å; R238-K247 VanDerWaalsContact NH1-O 3.15Å; R238-A252 HydrophobicContact CG-CB 3.35Å
239S86.8Confident89.9Confident48 Ų4857.4 Ų57.434%0.33628%0.276SS..PPolyproline II helixtrans-71.9164.6171.765.70000111.5R241 D242 I243S239-R241 PolarHBondContact O-N 3.31Å; S239-D242 PolarHBondContact N-OD2 3.22Å; S239-D242 WeakPolarHBondContact O-CB 3.23Å; S239-D242 PolarHBondContact O-N 2.77Å; S239-D242 PolarHBondContact OG-N 3.45Å; S239-D242 VanDerWaalsContact OG-N 3.15Å; S239-D242 PolarHBondContact OG-OD2 3.4Å; S239-I243 WeakPolarHBondContact O-CG1 3.39Å; S239-I243 PolarHBondContact O-N 2.95Å
240Q83.6Confident89.8Confident107 Ų10761.7 Ų61.750%0.530%0.296SS..Hα-helixtrans-56.3-38.7174.9-173.659.928.600111.9I243 E244Q240-I243 PolarHBondContact O-N 3.29Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.31Å; Q240-E244 PolarHBondContact NE2-OE1 2.9Å; Q240-E244 WeakPolarHBondContact O-CG 3.46Å; Q240-E244 PolarHBondContact O-N 3.34Å
241R86.8Confident89.7Confident208 Ų20861.8 Ų61.879%0.78531%0.307SS*.Hα-helixtrans-65.2-39.5174.1-176.3-178.8178.4-175.71112.6S239 I243 G245S239-R241 PolarHBondContact O-N 3.31Å; R241-I243 VanDerWaalsContact C-N 3.29Å; R241-I243 PolarHBondContact O-N 2.93Å; R241-G245 PolarHBondContact O-N 3.41Å
242D88.5Confident89.6Confident42 Ų4261.6 Ų61.623%0.22530%0.303CS..Hα-helixtrans-63.9-37.5175.7-70.5-47.4000111.1R238 S239 G245 R246 K247R238-D242 HydrophobicContact CB-CB 3.86Å; R238-D242 HydrophobicContact CG-CB 4.22Å; S239-D242 PolarHBondContact N-OD2 3.22Å; S239-D242 WeakPolarHBondContact O-CB 3.23Å; S239-D242 PolarHBondContact O-N 2.77Å; S239-D242 PolarHBondContact OG-N 3.45Å; S239-D242 VanDerWaalsContact OG-N 3.15Å; S239-D242 PolarHBondContact OG-OD2 3.4Å; D242-G245 CarbonylContact O-C 3.54Å; D242-R246 PolarHBondContact O-N 3.2Å; D242-R246 VanDerWaalsContact O-N 3.15Å; D242-K247 HydrophobicContact CB-CB 3.91Å; D242-K247 HydrophobicContact CB-CD 3.75Å; D242-K247 VanDerWaalsContact CG-CD 3.44Å; D242-K247 VanDerWaalsContact O-CB 3.29Å; D242-K247 WeakPolarHBondContact O-CB 3.33Å; D242-K247 PolarHBondContact O-N 3.1Å; D242-K247 WeakPolarHBondContact OD1-CD 3.44Å; D242-K247 IonicContact OD1-NZ 2.8Å; D242-K247 PolarHBondContact OD1-NZ 2.93Å; D242-K247 VanDerWaalsContact OD1-NZ 3.15Å; D242-K247 IonicContact OD2-NZ 2.92Å; D242-K247 PolarHBondContact OD2-NZ 3.44Å
243I84.5Confident89.3Confident24 Ų2463.4 Ų63.412%0.12331%0.314CS..Hα-helixtrans-69.7-49.2178.8-65.5157.4000110.6R238 S239 Q240 R241 G245 R246R238-I243 HydrophobicContact CB-CG1 4.06Å; S239-I243 WeakPolarHBondContact O-CG1 3.39Å; S239-I243 PolarHBondContact O-N 2.95Å; Q240-I243 PolarHBondContact O-N 3.29Å; R241-I243 VanDerWaalsContact C-N 3.29Å; R241-I243 PolarHBondContact O-N 2.93Å; I243-G245 VanDerWaalsContact C-N 3.26Å; I243-G245 PolarHBondContact O-N 3.04Å; I243-R246 WeakPolarHBondContact O-CA 3.43Å; I243-R246 PolarHBondContact O-N 3.27Å
244E85.3Confident89.1Confident136 Ų13666 Ų6664%0.63634%0.336SS*.Hα-helixtrans-59.8-39175.6-73.3166.7-167.100111.6Q240 R246Q240-E244 WeakPolarHBondContact CG-OE1 3.31Å; Q240-E244 PolarHBondContact NE2-OE1 2.9Å; Q240-E244 WeakPolarHBondContact O-CG 3.46Å; Q240-E244 PolarHBondContact O-N 3.34Å; E244-R246 PolarHBondContact O-N 3.46Å
245G86.9Confident88.9Confident60 Ų6068 Ų6862%0.61935%0.352SS*.THydrogen-bonded Turntrans-75.43.7172.800000114.8R241 D242 I243 K247R241-G245 PolarHBondContact O-N 3.41Å; D242-G245 CarbonylContact O-C 3.54Å; I243-G245 VanDerWaalsContact C-N 3.26Å; I243-G245 PolarHBondContact O-N 3.04Å; G245-K247 PolarHBondContact O-N 3.5Å
246R83.9Confident88.8Confident213 Ų21368.2 Ų68.280%0.80435%0.353SS*.THydrogen-bonded Turntrans47.541.7-177.4-65.2-173.4171.9-168.1-5.6113.5D242 I243 E244 D248D242-R246 PolarHBondContact O-N 3.2Å; D242-R246 VanDerWaalsContact O-N 3.15Å; I243-R246 WeakPolarHBondContact O-CA 3.43Å; I243-R246 PolarHBondContact O-N 3.27Å; E244-R246 PolarHBondContact O-N 3.46Å; R246-D248 PolarHBondContact O-N 2.89Å
247K87.5Confident88.8Confident65 Ų6574.6 Ų74.628%0.28338%0.375SS..  trans-57.2124.7173.1-178.8176.9-179.1-179.70109.2R238 D242 G245 A251R238-K247 WeakPolarHBondContact CD-O 3.49Å; R238-K247 PolarHBondContact NH1-O 3.42Å; R238-K247 VanDerWaalsContact NH1-O 3.15Å; D242-K247 HydrophobicContact CB-CB 3.91Å; D242-K247 HydrophobicContact CB-CD 3.75Å; D242-K247 VanDerWaalsContact CG-CD 3.44Å; D242-K247 VanDerWaalsContact O-CB 3.29Å; D242-K247 WeakPolarHBondContact O-CB 3.33Å; D242-K247 PolarHBondContact O-N 3.1Å; D242-K247 WeakPolarHBondContact OD1-CD 3.44Å; D242-K247 IonicContact OD1-NZ 2.8Å; D242-K247 PolarHBondContact OD1-NZ 2.93Å; D242-K247 VanDerWaalsContact OD1-NZ 3.15Å; D242-K247 IonicContact OD2-NZ 2.92Å; D242-K247 PolarHBondContact OD2-NZ 3.44Å; G245-K247 PolarHBondContact O-N 3.5Å; K247-A251 HydrophobicContact CG-CB 4.47Å
248D86.2Confident88.9Confident96 Ų9681 Ų8151%0.51340%0.402SS..  trans-57.9140.3178.7178.840.3000111.3R246 K250 A251 A252R246-D248 PolarHBondContact O-N 2.89Å; D248-K250 VanDerWaalsContact C-N 3.31Å; D248-K250 PolarHBondContact O-N 2.93Å; D248-K250 WeakPolarHBondContact OD2-CB 3.43Å; D248-K250 PolarHBondContact OD2-N 2.96Å; D248-A251 HydrophobicContact CB-CB 4.21Å; D248-A251 WeakPolarHBondContact O-CB 3.3Å; D248-A251 PolarHBondContact O-N 3.06Å; D248-A251 VanDerWaalsContact O-N 3.16Å; D248-A252 PolarHBondContact O-N 2.71Å
249I85.3Confident89.2Confident14 Ų1481.9 Ų81.97%0.07241%0.407CS..Hα-helixtrans-67.2-35.3-176.5-71.7163.1000110.7G54 A251 A252 L253G54-I249 WeakPolarHBondContact O-CD1 3.49Å; I249-A251 VanDerWaalsContact C-N 3.3Å; I249-A251 PolarHBondContact O-N 2.93Å; I249-A252 WeakPolarHBondContact O-CB 3.43Å; I249-A252 PolarHBondContact O-N 2.96Å; I249-A252 VanDerWaalsContact O-N 3.1Å; I249-L253 HydrophobicContact CG2-CD1 4.28Å; I249-L253 HydrophobicContact CG2-CG 4.34Å; I249-L253 WeakPolarHBondContact O-CG 3.42Å; I249-L253 PolarHBondContact O-N 2.65Å
250K87Confident89.6Confident150 Ų15079.8 Ų79.865%0.65239%0.391SS*.Hα-helixtrans-63.5-39.7174.5-58.8-179.3177178.40111.2D248 A252 L253 A254D248-K250 VanDerWaalsContact C-N 3.31Å; D248-K250 PolarHBondContact O-N 2.93Å; D248-K250 WeakPolarHBondContact OD2-CB 3.43Å; D248-K250 PolarHBondContact OD2-N 2.96Å; K250-A252 VanDerWaalsContact C-N 3.31Å; K250-A252 PolarHBondContact O-N 2.71Å; K250-L253 PolarHBondContact O-N 3.44Å; K250-A254 WeakPolarHBondContact O-CB 3.47Å; K250-A254 PolarHBondContact O-N 2.92Å
251A90.4Very high90.2Very high46 Ų4678.3 Ų78.338%0.3839%0.387SS..Hα-helixtrans-64.8-35173.600000112.2K247 D248 I249 A255K247-A251 HydrophobicContact CG-CB 4.47Å; D248-A251 HydrophobicContact CB-CB 4.21Å; D248-A251 WeakPolarHBondContact O-CB 3.3Å; D248-A251 PolarHBondContact O-N 3.06Å; D248-A251 VanDerWaalsContact O-N 3.16Å; I249-A251 VanDerWaalsContact C-N 3.3Å; I249-A251 PolarHBondContact O-N 2.93Å; A251-A255 WeakPolarHBondContact O-CB 3.44Å; A251-A255 PolarHBondContact O-N 3.44Å
252A90.8Very high90.5Very high9 Ų972.5 Ų72.57%0.07438%0.378CS..Hα-helixtrans-67.3-45174.300000112.8R238 D248 I249 K250 A254 A255 E256R238-A252 HydrophobicContact CG-CB 3.35Å; D248-A252 PolarHBondContact O-N 2.71Å; I249-A252 WeakPolarHBondContact O-CB 3.43Å; I249-A252 PolarHBondContact O-N 2.96Å; I249-A252 VanDerWaalsContact O-N 3.1Å; K250-A252 VanDerWaalsContact C-N 3.31Å; K250-A252 PolarHBondContact O-N 2.71Å; A252-A254 VanDerWaalsContact C-N 3.3Å; A252-A254 PolarHBondContact O-N 3.24Å; A252-A255 WeakPolarHBondContact O-CB 3.32Å; A252-A255 PolarHBondContact O-N 3.22Å; A252-A255 VanDerWaalsContact O-N 3.12Å; A252-E256 PolarHBondContact O-N 3.03Å
253L91.2Very high90.7Very high50 Ų5073 Ų7326%0.26238%0.379SS..Hα-helixtrans-62.1-37.7174.9-65.9174.8000111.8I249 K250 E256 R257 T275 P276I249-L253 HydrophobicContact CG2-CD1 4.28Å; I249-L253 HydrophobicContact CG2-CG 4.34Å; I249-L253 WeakPolarHBondContact O-CG 3.42Å; I249-L253 PolarHBondContact O-N 2.65Å; K250-L253 PolarHBondContact O-N 3.44Å; L253-E256 PolarHBondContact O-N 2.97Å; L253-R257 PolarHBondContact O-N 2.92Å; L253-T275 HydrophobicContact CD2-CG2 4.37Å; L253-P276 HydrophobicContact CD2-CG 4.2Å
254A92.7Very high91.1Very high61 Ų6177 Ų7750%0.50441%0.408SS..Hα-helixtrans-65.8-39.5173.200000112.1K250 A252 R257 K258K250-A254 WeakPolarHBondContact O-CB 3.47Å; K250-A254 PolarHBondContact O-N 2.92Å; A252-A254 VanDerWaalsContact C-N 3.3Å; A252-A254 PolarHBondContact O-N 3.24Å; A254-R257 PolarHBondContact O-N 3.01Å; A254-K258 WeakPolarHBondContact O-CB 3.36Å; A254-K258 PolarHBondContact O-N 3.11Å
255A93.4Very high91.4Very high41 Ų4171.4 Ų71.434%0.33939%0.385SS..Hα-helixtrans-65.9-4117500000112A251 A252 K258 F259A251-A255 WeakPolarHBondContact O-CB 3.44Å; A251-A255 PolarHBondContact O-N 3.44Å; A252-A255 WeakPolarHBondContact O-CB 3.32Å; A252-A255 PolarHBondContact O-N 3.22Å; A252-A255 VanDerWaalsContact O-N 3.12Å; A255-K258 PolarHBondContact O-N 3.25Å; A255-F259 PolarHBondContact O-N 2.82Å
256E95.5Very high91.7Very high5 Ų568.6 Ų68.62%0.02336%0.356CS..Hα-helixtrans-58.5-49.6172.9177-175-118.600110.7V236 A252 L253 K258 F259 F260 G274 T275V236-E256 HydrophobicContact CB-CB 4.27Å; V236-E256 HydrophobicContact CB-CG 4.01Å; V236-E256 PolarHBondContact N-OE1 3.37Å; A252-E256 PolarHBondContact O-N 3.03Å; L253-E256 PolarHBondContact O-N 2.97Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 2.87Å; E256-F259 WeakPolarHBondContact O-CB 3.42Å; E256-F259 PolarHBondContact O-N 3.39Å; E256-F259 VanDerWaalsContact O-N 3.12Å; E256-F260 HydrophobicContact CG-CD2 3.94Å; E256-F260 HydrophobicContact CG-CE2 3.66Å; E256-F260 VanDerWaalsContact O-CD2 3.3Å; E256-F260 WeakPolarHBondContact O-CD2 3.47Å; E256-F260 PolarHBondContact O-N 3.27Å; E256-F260 VanDerWaalsContact O-N 3.1Å; E256-G274 WeakPolarHBondContact OE1-CA 3.33Å; E256-G274 VanDerWaalsContact OE2-CA 3.31Å; E256-G274 WeakPolarHBondContact OE2-CA 3Å; E256-T275 VanDerWaalsContact CD-N 3.26Å; E256-T275 PolarHBondContact OE1-N 3.2Å; E256-T275 VanDerWaalsContact OE1-N 3.08Å; E256-T275 PolarHBondContact OE1-OG1 2.68Å; E256-T275 PolarHBondContact OE2-N 2.9Å
257R94.7Very high92.2Very high152 Ų15266.9 Ų66.957%0.57435%0.349SS*.Hα-helixtrans-59.7-42177-172.7172.6-178.890.86.1111.7L253 A254 L261L253-R257 PolarHBondContact O-N 2.92Å; A254-R257 PolarHBondContact O-N 3.01Å; R257-L261 HydrophobicContact CG-CD1 3.92Å; R257-L261 WeakPolarHBondContact O-CB 3.33Å; R257-L261 VanDerWaalsContact O-CG 3.3Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 2.94Å; R257-L261 VanDerWaalsContact O-N 3.11Å
258K95.9Very high92.4Very high155 Ų15568.7 Ų68.767%0.67436%0.358SS*.Hα-helixtrans-63.2-40.9175.7-174.4179.6178.2-177.70111.6A254 A255 E256 L261 S262A254-K258 WeakPolarHBondContact O-CB 3.36Å; A254-K258 PolarHBondContact O-N 3.11Å; A255-K258 PolarHBondContact O-N 3.25Å; E256-K258 VanDerWaalsContact C-N 3.3Å; E256-K258 PolarHBondContact O-N 2.87Å; K258-L261 PolarHBondContact O-N 3.08Å; K258-S262 VanDerWaalsContact O-CB 3.26Å; K258-S262 WeakPolarHBondContact O-CB 3.28Å; K258-S262 PolarHBondContact O-N 3.04Å; K258-S262 PolarHBondContact O-OG 3.48Å
259F95.7Very high92.8Very high37 Ų3764.2 Ų64.216%0.16233%0.334CS..Hα-helixtrans-57.1-55.3177171.9-93.6000110.9L208 D209 V236 A255 E256 L261 S262 H263 Y266L208-F259 HydrophobicContact CB-CE1 3.88Å; L208-F259 HydrophobicContact CB-CZ 3.97Å; D209-F259 HydrophobicContact CB-CD2 4.47Å; D209-F259 HydrophobicContact CB-CE2 4.08Å; V236-F259 HydrophobicContact CG2-CD1 3.49Å; V236-F259 VanDerWaalsContact CG2-CD1 3.49Å; V236-F259 HydrophobicContact CG2-CE1 3.73Å; V236-F259 HydrophobicContact CG2-CG 4.05Å; V236-F259 HydrophobicContact CG2-CZ 4.46Å; A255-F259 PolarHBondContact O-N 2.82Å; E256-F259 WeakPolarHBondContact O-CB 3.42Å; E256-F259 PolarHBondContact O-N 3.39Å; E256-F259 VanDerWaalsContact O-N 3.12Å; F259-L261 VanDerWaalsContact C-N 3.33Å; F259-L261 PolarHBondContact O-N 3.48Å; F259-S262 PolarHBondContact O-N 3.23Å; F259-S262 PolarHBondContact O-OG 3.5Å; F259-H263 AromaticContact CE2-CD2 3.87Å; F259-H263 AromaticContact CZ-CD2 3.9Å; F259-H263 WeakPolarHBondContact O-CB 3.29Å; F259-H263 PolarHBondContact O-N 3.43Å; F259-Y266 AromaticContact CE1-CD2 3.85Å; F259-Y266 HydrophobicContact CE1-CD2 3.85Å; F259-Y266 HydrophobicContact CE1-CE2 4.03Å; F259-Y266 HydrophobicContact CZ-CD2 4.14Å; F259-Y266 AromaticContact CZ-CE2 3.96Å; F259-Y266 HydrophobicContact CZ-CE2 3.96Å
260F96.9Very high93.1Very high4 Ų464.1 Ų64.12%0.01834%0.336CS..Hα-helixtrans-62.9-37.6-178.9-73.3-66.6000113.2L208 G234 V236 E256 Y266 R267 A270 M273L208-F260 HydrophobicContact CD1-CE1 3.76Å; L208-F260 HydrophobicContact CD1-CZ 3.76Å; G234-F260 WeakPolarHBondContact O-CZ 3.39Å; V236-F260 HydrophobicContact CG2-CE2 4.15Å; V236-F260 HydrophobicContact CG2-CZ 4.14Å; E256-F260 HydrophobicContact CG-CD2 3.94Å; E256-F260 HydrophobicContact CG-CE2 3.66Å; E256-F260 VanDerWaalsContact O-CD2 3.3Å; E256-F260 WeakPolarHBondContact O-CD2 3.47Å; E256-F260 PolarHBondContact O-N 3.27Å; E256-F260 VanDerWaalsContact O-N 3.1Å; F260-Y266 HydrophobicContact CD1-CD2 4.47Å; F260-Y266 HydrophobicContact CD1-CG 4.41Å; F260-R267 VanDerWaalsContact O-CA 3.22Å; F260-R267 WeakPolarHBondContact O-CA 3.21Å; F260-R267 PolarHBondContact O-N 3.29Å; F260-A270 HydrophobicContact CB-CB 3.8Å; F260-M273 HydrophobicContact CD1-CB 3.74Å; F260-M273 HydrophobicContact CD1-CG 4.09Å; F260-M273 HydrophobicContact CD2-CB 4Å; F260-M273 HydrophobicContact CE1-CB 3.68Å; F260-M273 HydrophobicContact CE1-CG 3.99Å; F260-M273 HydrophobicContact CE2-CB 3.94Å; F260-M273 HydrophobicContact CG-CB 3.91Å; F260-M273 HydrophobicContact CZ-CB 3.8Å
261L95.3Very high93.4Very high76 Ų7662.8 Ų62.840%0.39834%0.336SS..Hα-helixtrans-72.5-27.2178.6-71.6172.6000113.7R257 K258 F259 R267 A270R257-L261 HydrophobicContact CG-CD1 3.92Å; R257-L261 WeakPolarHBondContact O-CB 3.33Å; R257-L261 VanDerWaalsContact O-CG 3.3Å; R257-L261 WeakPolarHBondContact O-CG 3.32Å; R257-L261 PolarHBondContact O-N 2.94Å; R257-L261 VanDerWaalsContact O-N 3.11Å; K258-L261 PolarHBondContact O-N 3.08Å; F259-L261 VanDerWaalsContact C-N 3.33Å; F259-L261 PolarHBondContact O-N 3.48Å; L261-R267 WeakPolarHBondContact O-CD 3.26Å; L261-R267 WeakPolarHBondContact O-CG 3.38Å; L261-A270 HydrophobicContact CD2-CB 3.82Å; L261-A270 HydrophobicContact CG-CB 4.31Å
262S93.8Very high93.5Very high86 Ų8667.7 Ų67.760%0.60134%0.344SS*.Hα-helixtrans-95.4-24.6-17759.70000113.8K258 F259 S264K258-S262 VanDerWaalsContact O-CB 3.26Å; K258-S262 WeakPolarHBondContact O-CB 3.28Å; K258-S262 PolarHBondContact O-N 3.04Å; K258-S262 PolarHBondContact O-OG 3.48Å; F259-S262 PolarHBondContact O-N 3.23Å; F259-S262 PolarHBondContact O-OG 3.5Å; S262-S264 PolarHBondContact O-N 2.86Å
263H92.8Very high93.8Very high54 Ų5468 Ų6825%0.2534%0.344CS..  trans-75.3123.8-179.3-159.1-72.6000111.6F259 S265 Y266 R267F259-H263 AromaticContact CE2-CD2 3.87Å; F259-H263 AromaticContact CZ-CD2 3.9Å; F259-H263 WeakPolarHBondContact O-CB 3.29Å; F259-H263 PolarHBondContact O-N 3.43Å; H263-S265 VanDerWaalsContact C-N 3.34Å; H263-S265 PolarHBondContact ND1-N 3.32Å; H263-S265 PolarHBondContact O-N 3.38Å; H263-Y266 HydrophobicContact CB-CD2 3.81Å; H263-Y266 AromaticContact CE1-CE2 3.77Å; H263-Y266 AromaticContact CG-CD2 3.54Å; H263-Y266 AromaticContact CG-CE2 3.87Å; H263-Y266 AromaticContact ND1-CD2 3.51Å; H263-Y266 AromaticContact ND1-CE2 3.67Å; H263-Y266 PolarHBondContact O-N 2.98Å; H263-R267 WeakPolarHBondContact O-CB 3.47Å; H263-R267 PolarHBondContact O-N 3.38Å
264S91.6Very high94Very high106 Ų10665.7 Ų65.774%0.74133%0.333SS*.THydrogen-bonded Turntrans-55.8-43.8-175.850.20000113.2S262 Y266S262-S264 PolarHBondContact O-N 2.86Å; S264-Y266 PolarHBondContact O-N 3.38Å
265S91.4Very high94.1Very high20 Ų2062.9 Ų62.914%0.1431%0.31CS..THydrogen-bonded Turntrans-68.9-30.3-179.1-510000114.3D216 H263 H268D216-S265 WeakPolarHBondContact OD2-CB 3.18Å; D216-S265 PolarHBondContact OD2-OG 2.93Å; H263-S265 VanDerWaalsContact C-N 3.34Å; H263-S265 PolarHBondContact ND1-N 3.32Å; H263-S265 PolarHBondContact O-N 3.38Å; S265-H268 PolarHBondContact O-CE1 2.99Å; S265-H268 VanDerWaalsContact O-CE1 3.3Å; S265-H268 PolarHBondContact O-ND1 3.1Å
266Y94.5Very high94Very high1 Ų164.1 Ų64.10%0.00431%0.314CS..THydrogen-bonded Turntrans-108.6-13.9-170.6-48.3-47.6000114.2L208 M211 D216 A217 L221 F259 F260 H263 S264 H268 M269 A270L208-Y266 HydrophobicContact CD2-CE2 4.45Å; M211-Y266 PolarHBondContact SD-OH 2.78Å; D216-Y266 WeakPolarHBondContact CA-OH 3.39Å; D216-Y266 HydrophobicContact CB-CE1 4.16Å; D216-Y266 WeakPolarHBondContact CB-OH 3.44Å; A217-Y266 PolarHBondContact N-OH 2.87Å; L221-Y266 HydrophobicContact CD1-CD1 3.84Å; L221-Y266 HydrophobicContact CD1-CE1 3.81Å; F259-Y266 AromaticContact CE1-CD2 3.85Å; F259-Y266 HydrophobicContact CE1-CD2 3.85Å; F259-Y266 HydrophobicContact CE1-CE2 4.03Å; F259-Y266 HydrophobicContact CZ-CD2 4.14Å; F259-Y266 AromaticContact CZ-CE2 3.96Å; F259-Y266 HydrophobicContact CZ-CE2 3.96Å; F260-Y266 HydrophobicContact CD1-CD2 4.47Å; F260-Y266 HydrophobicContact CD1-CG 4.41Å; H263-Y266 HydrophobicContact CB-CD2 3.81Å; H263-Y266 AromaticContact CE1-CE2 3.77Å; H263-Y266 AromaticContact CG-CD2 3.54Å; H263-Y266 AromaticContact CG-CE2 3.87Å; H263-Y266 AromaticContact ND1-CD2 3.51Å; H263-Y266 AromaticContact ND1-CE2 3.67Å; H263-Y266 PolarHBondContact O-N 2.98Å; S264-Y266 PolarHBondContact O-N 3.38Å; Y266-H268 PolarHBondContact O-N 3.34Å; Y266-H268 VanDerWaalsContact O-N 3.1Å; Y266-M269 CarbonylContact O-C 3.52Å; Y266-M269 WeakPolarHBondContact O-CG 3.25Å; Y266-M269 PolarHBondContact O-N 2.76Å; Y266-A270 PolarHBondContact O-N 2.82Å; Y266-A270 VanDerWaalsContact O-N 3.16Å
267R93.4Very high94Very high176 Ų17667.4 Ų67.466%0.66433%0.328SS*.G310 helixtrans-51.3-39.7-176.2-179.6175.8177.1-178.70.4113.9F260 L261 H263 M269 A270F260-R267 VanDerWaalsContact O-CA 3.22Å; F260-R267 WeakPolarHBondContact O-CA 3.21Å; F260-R267 PolarHBondContact O-N 3.29Å; L261-R267 WeakPolarHBondContact O-CD 3.26Å; L261-R267 WeakPolarHBondContact O-CG 3.38Å; H263-R267 WeakPolarHBondContact O-CB 3.47Å; H263-R267 PolarHBondContact O-N 3.38Å; R267-M269 PolarHBondContact O-N 3.23Å; R267-A270 PolarHBondContact O-N 3.37Å
268H92.7Very high94Very high103 Ų10360.1 Ų60.148%0.47730%0.301SS..G310 helixtrans-71-15.1-177.976.6-85000113.9E222 S265 Y266E222-H268 IonicContact OE1-CE1 2.71Å; E222-H268 PolarHBondContact OE1-CE1 2.81Å; E222-H268 IonicContact OE1-NE2 2.67Å; E222-H268 PolarHBondContact OE1-NE2 3.2Å; E222-H268 VanDerWaalsContact OE1-NE2 3.17Å; S265-H268 PolarHBondContact O-CE1 2.99Å; S265-H268 VanDerWaalsContact O-CE1 3.3Å; S265-H268 PolarHBondContact O-ND1 3.1Å; Y266-H268 PolarHBondContact O-N 3.34Å; Y266-H268 VanDerWaalsContact O-N 3.1Å
269M93.2Very high93.9Very high3 Ų353.8 Ų53.82%0.01527%0.273CS..G310 helixtrans-117.87.3179.563.7172.778.400113R218 L221 E222 Y266 R267 D271 R272 M273R218-M269 HydrophobicContact CG-CE 4.23Å; L221-M269 HydrophobicContact CB-CE 4.12Å; L221-M269 HydrophobicContact CB-SD 3.6Å; L221-M269 HydrophobicContact CD1-SD 4.04Å; L221-M269 HydrophobicContact CG-SD 4.48Å; E222-M269 HydrophobicContact CG-CE 3.54Å; Y266-M269 CarbonylContact O-C 3.52Å; Y266-M269 WeakPolarHBondContact O-CG 3.25Å; Y266-M269 PolarHBondContact O-N 2.76Å; R267-M269 PolarHBondContact O-N 3.23Å; M269-D271 PolarHBondContact O-N 3.39Å; M269-D271 VanDerWaalsContact O-N 3.09Å; M269-R272 PolarHBondContact O-N 2.96Å; M269-M273 HydrophobicContact CG-CE 4.36Å; M269-M273 HydrophobicContact CG-CG 4.12Å; M269-M273 WeakPolarHBondContact O-CG 3.37Å; M269-M273 HydrophobicContact SD-CE 3.71Å; M269-M273 HydrophobicContact SD-CG 4.31Å; M269-M273 HydrophobicContact SD-SD 4.33Å
270A92.8Very high93.6Very high12 Ų1254.9 Ų54.910%0.09929%0.286CS..G310 helixtrans-54.2-33.1-172.200000114.2F260 L261 Y266 R267 R272 M273F260-A270 HydrophobicContact CB-CB 3.8Å; L261-A270 HydrophobicContact CD2-CB 3.82Å; L261-A270 HydrophobicContact CG-CB 4.31Å; Y266-A270 PolarHBondContact O-N 2.82Å; Y266-A270 VanDerWaalsContact O-N 3.16Å; R267-A270 PolarHBondContact O-N 3.37Å; A270-R272 PolarHBondContact O-N 3.4Å; A270-M273 PolarHBondContact O-N 2.75Å
271D93.1Very high93.4Very high122 Ų12255.5 Ų55.565%0.65229%0.29SS*.G310 helixtrans-72.6-13.4178.3-66.6-41.4000114M269 F277M269-D271 PolarHBondContact O-N 3.39Å; M269-D271 VanDerWaalsContact O-N 3.09Å; D271-F277 WeakPolarHBondContact O-CD2 3.42Å
272R92.5Very high93.2Very high148 Ų14851.9 Ų51.956%0.55827%0.271SS*.G310 helixtrans-105.914175.7-61.6-174.6-67172.80.3112.6M269 A270 F277M269-R272 PolarHBondContact O-N 2.96Å; A270-R272 PolarHBondContact O-N 3.4Å; R272-F277 HydrophobicContact CB-CE1 4.12Å; R272-F277 HydrophobicContact CB-CZ 4.06Å; R272-F277 HydrophobicContact CG-CZ 4.27Å; R272-F277 WeakPolarHBondContact O-CD1 3.34Å; R272-F277 WeakPolarHBondContact O-CE1 3.26Å
273M95.9Very high93Very high16 Ų1649.8 Ų49.88%0.07925%0.253CS..  trans-125.5167.1-176.7-61.7-64.914000110.5L221 G234 F260 M269 A270 F277L221-M273 HydrophobicContact CB-CE 4.21Å; L221-M273 HydrophobicContact CD1-SD 4.2Å; L221-M273 HydrophobicContact CD2-CE 4.4Å; L221-M273 HydrophobicContact CD2-SD 4.04Å; G234-M273 PolarHBondContact N-SD 3.45Å; F260-M273 HydrophobicContact CD1-CB 3.74Å; F260-M273 HydrophobicContact CD1-CG 4.09Å; F260-M273 HydrophobicContact CD2-CB 4Å; F260-M273 HydrophobicContact CE1-CB 3.68Å; F260-M273 HydrophobicContact CE1-CG 3.99Å; F260-M273 HydrophobicContact CE2-CB 3.94Å; F260-M273 HydrophobicContact CG-CB 3.91Å; F260-M273 HydrophobicContact CZ-CB 3.8Å; M269-M273 HydrophobicContact CG-CE 4.36Å; M269-M273 HydrophobicContact CG-CG 4.12Å; M269-M273 WeakPolarHBondContact O-CG 3.37Å; M269-M273 HydrophobicContact SD-CE 3.71Å; M269-M273 HydrophobicContact SD-CG 4.31Å; M269-M273 HydrophobicContact SD-SD 4.33Å; A270-M273 PolarHBondContact O-N 2.75Å; M273-F277 WeakPolarHBondContact O-CB 3.34Å
274G96Very high92.8Very high2 Ų251.1 Ų51.12%0.02126%0.259CS..SBendtrans91.8163.9176.400000114.5G234 E256 F277 L278G234-G274 PolarHBondContact O-N 3.15Å; E256-G274 WeakPolarHBondContact OE1-CA 3.33Å; E256-G274 VanDerWaalsContact OE2-CA 3.31Å; E256-G274 WeakPolarHBondContact OE2-CA 3Å; G274-F277 PolarHBondContact O-N 3.46Å; G274-L278 PolarHBondContact O-N 3.45Å
275T94.6Very high92.6Very high2 Ų247.2 Ų47.21%0.01223%0.23CC..Hα-helixtrans-62.2-42.3-173.1-55.50000113.3N51 F52 L253 E256 F277 L278 Q279N51-T275 HydrophobicContact CB-CG2 3.74Å; F52-T275 HydrophobicContact CD1-CG2 3.64Å; F52-T275 HydrophobicContact CE1-CG2 3.69Å; L253-T275 HydrophobicContact CD2-CG2 4.37Å; E256-T275 VanDerWaalsContact CD-N 3.26Å; E256-T275 PolarHBondContact OE1-N 3.2Å; E256-T275 VanDerWaalsContact OE1-N 3.08Å; E256-T275 PolarHBondContact OE1-OG1 2.68Å; E256-T275 PolarHBondContact OE2-N 2.9Å; T275-F277 VanDerWaalsContact C-N 3.32Å; T275-F277 PolarHBondContact O-N 3.21Å; T275-L278 PolarHBondContact O-N 3.07Å; T275-Q279 PolarHBondContact O-N 3.48Å
276P92.4Very high92.5Very high66 Ų6646.3 Ų46.343%0.42922%0.223SC..Hα-helixtrans-64.4-36.2177.9-22.935.7000112.9L253 S280L253-P276 HydrophobicContact CD2-CG 4.2Å; P276-S280 WeakPolarHBondContact O-CB 3.04Å; P276-S280 PolarHBondContact O-N 3.05Å; P276-S280 VanDerWaalsContact O-N 3.13Å; P276-S280 PolarHBondContact O-OG 2.84Å
277F94.6Very high92Very high74 Ų7446.7 Ų46.733%0.32523%0.225SC..Hα-helixtrans-69.3-42.4175.7-178.2-97000110.9I233 D271 R272 M273 G274 T275 S280 T281I233-F277 HydrophobicContact CD1-CD1 3.98Å; I233-F277 HydrophobicContact CD1-CE1 3.88Å; I233-F277 HydrophobicContact CG1-CD1 4.34Å; I233-F277 HydrophobicContact CG1-CE1 4.21Å; I233-F277 HydrophobicContact CG2-CD1 4.14Å; D271-F277 WeakPolarHBondContact O-CD2 3.42Å; R272-F277 HydrophobicContact CB-CE1 4.12Å; R272-F277 HydrophobicContact CB-CZ 4.06Å; R272-F277 HydrophobicContact CG-CZ 4.27Å; R272-F277 WeakPolarHBondContact O-CD1 3.34Å; R272-F277 WeakPolarHBondContact O-CE1 3.26Å; M273-F277 WeakPolarHBondContact O-CB 3.34Å; G274-F277 PolarHBondContact O-N 3.46Å; T275-F277 VanDerWaalsContact C-N 3.32Å; T275-F277 PolarHBondContact O-N 3.21Å; F277-S280 PolarHBondContact O-N 2.88Å; F277-T281 WeakPolarHBondContact CE1-OG1 3.43Å; F277-T281 WeakPolarHBondContact O-CB 3.48Å; F277-T281 PolarHBondContact O-N 2.89Å; F277-T281 PolarHBondContact O-OG1 2.97Å
278L95.8Very high91.7Very high0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-58.4-52.2174.4178.859.5000111.2V48 F52 L173 V204 I233 V235 G274 T275 S280 T281 L282V48-L278 HydrophobicContact CG1-CD2 3.9Å; F52-L278 HydrophobicContact CE1-CB 4.35Å; F52-L278 HydrophobicContact CE1-CD2 4.01Å; F52-L278 HydrophobicContact CE1-CG 4.06Å; F52-L278 HydrophobicContact CZ-CD2 3.64Å; F52-L278 HydrophobicContact CZ-CG 3.75Å; L173-L278 HydrophobicContact CD1-CD1 4.46Å; V204-L278 HydrophobicContact CG1-CD2 4.08Å; V204-L278 HydrophobicContact CG2-CD1 3.8Å; V204-L278 HydrophobicContact CG2-CD2 3.86Å; I233-L278 HydrophobicContact CB-CD1 4.18Å; I233-L278 HydrophobicContact CD1-CD1 3.72Å; I233-L278 HydrophobicContact CG1-CD1 4.49Å; I233-L278 HydrophobicContact CG2-CB 3.99Å; I233-L278 HydrophobicContact CG2-CD1 4.37Å; V235-L278 HydrophobicContact CG1-CB 4.35Å; V235-L278 HydrophobicContact CG1-CD2 3.83Å; G274-L278 PolarHBondContact O-N 3.45Å; T275-L278 PolarHBondContact O-N 3.07Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 3.32Å; L278-T281 WeakPolarHBondContact O-CB 3.47Å; L278-T281 PolarHBondContact O-N 3.48Å; L278-T281 VanDerWaalsContact O-N 3.13Å; L278-L282 HydrophobicContact CD1-CD1 4.01Å; L278-L282 HydrophobicContact CD1-CD2 4.15Å; L278-L282 HydrophobicContact CD1-CG 3.89Å; L278-L282 HydrophobicContact CG-CD1 4.04Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 WeakPolarHBondContact O-CG 3.04Å; L278-L282 PolarHBondContact O-N 3.2Å
279Q92Very high91.4Very high21 Ų2134.6 Ų34.610%0.09818%0.177CC..Hα-helixtrans-57.2-45.7-179.7-167.3-178.625.300112F52 L131 L133 T275 T281 L282 N283F52-Q279 HydrophobicContact CD1-CB 3.8Å; F52-Q279 HydrophobicContact CD1-CG 4Å; F52-Q279 HydrophobicContact CE1-CB 3.84Å; F52-Q279 HydrophobicContact CE1-CG 4.42Å; F52-Q279 HydrophobicContact CG-CG 4.3Å; F52-Q279 PolarHBondContact O-NE2 3.29Å; L131-Q279 HydrophobicContact CB-CG 4.47Å; L131-Q279 HydrophobicContact CD1-CG 4.22Å; L131-Q279 HydrophobicContact CG-CG 4.48Å; L133-Q279 HydrophobicContact CD2-CG 4.45Å; T275-Q279 PolarHBondContact O-N 3.48Å; Q279-T281 VanDerWaalsContact C-N 3.34Å; Q279-T281 PolarHBondContact O-N 2.74Å; Q279-L282 PolarHBondContact O-N 3.27Å; Q279-N283 WeakPolarHBondContact O-CB 3.45Å; Q279-N283 PolarHBondContact O-N 3.18Å
280S90.4Very high91Very high60 Ų6034.5 Ų34.542%0.4218%0.176SC..Hα-helixtrans-63.3-41.6177.5-54.40000111.7P276 F277 L278 Q284P276-S280 WeakPolarHBondContact O-CB 3.04Å; P276-S280 PolarHBondContact O-N 3.05Å; P276-S280 VanDerWaalsContact O-N 3.13Å; P276-S280 PolarHBondContact O-OG 2.84Å; F277-S280 PolarHBondContact O-N 2.88Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 3.32Å; S280-Q284 WeakPolarHBondContact O-CB 3.08Å; S280-Q284 PolarHBondContact O-N 2.84Å
281T91.7Very high90.4Very high18 Ų1835 Ų3511%0.1118%0.176CC..Hα-helixtrans-63.9-47.1176.6-58.10000110.7I233 F277 L278 Q279 N283 Q284 Q285I233-T281 HydrophobicContact CD1-CG2 3.98Å; F277-T281 WeakPolarHBondContact CE1-OG1 3.43Å; F277-T281 WeakPolarHBondContact O-CB 3.48Å; F277-T281 PolarHBondContact O-N 2.89Å; F277-T281 PolarHBondContact O-OG1 2.97Å; L278-T281 WeakPolarHBondContact O-CB 3.47Å; L278-T281 PolarHBondContact O-N 3.48Å; L278-T281 VanDerWaalsContact O-N 3.13Å; Q279-T281 VanDerWaalsContact C-N 3.34Å; Q279-T281 PolarHBondContact O-N 2.74Å; T281-N283 PolarHBondContact O-N 3.16Å; T281-Q284 PolarHBondContact O-N 3.47Å; T281-Q285 HydrophobicContact CG2-CG 3.88Å; T281-Q285 WeakPolarHBondContact O-CB 3.48Å; T281-Q285 WeakPolarHBondContact O-CG 3.29Å; T281-Q285 PolarHBondContact O-N 3.32Å
282L92.4Very high90Very high0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-63.1-42179.6-64.9-179.8000112.1I35 F52 L133 L135 L173 I202 L278 Q279 Q284 Q285 L286I35-L282 HydrophobicContact CD1-CB 3.99Å; I35-L282 HydrophobicContact CD1-CD2 4.06Å; I35-L282 HydrophobicContact CD1-CG 4.49Å; F52-L282 HydrophobicContact CE2-CD1 3.76Å; F52-L282 HydrophobicContact CZ-CD1 3.69Å; L133-L282 HydrophobicContact CD1-CB 4.08Å; L133-L282 HydrophobicContact CD2-CB 4.05Å; L135-L282 HydrophobicContact CD2-CD1 4.32Å; L173-L282 HydrophobicContact CD1-CD1 4.3Å; L173-L282 HydrophobicContact CD1-CD2 3.68Å; L173-L282 HydrophobicContact CD2-CD1 3.8Å; I202-L282 HydrophobicContact CD1-CD2 3.59Å; I202-L282 HydrophobicContact CG2-CD2 4.44Å; L278-L282 HydrophobicContact CD1-CD1 4.01Å; L278-L282 HydrophobicContact CD1-CD2 4.15Å; L278-L282 HydrophobicContact CD1-CG 3.89Å; L278-L282 HydrophobicContact CG-CD1 4.04Å; L278-L282 HydrophobicContact CG-CG 4.28Å; L278-L282 WeakPolarHBondContact O-CG 3.04Å; L278-L282 PolarHBondContact O-N 3.2Å; Q279-L282 PolarHBondContact O-N 3.27Å; L282-Q284 PolarHBondContact O-N 3.39Å; L282-Q285 PolarHBondContact O-N 2.91Å; L282-L286 VanDerWaalsContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CB 2.98Å; L282-L286 PolarHBondContact O-N 3.11Å
283N88.7Confident89.6Confident41 Ų4127.2 Ų27.222%0.21915%0.146CC..Hα-helixtrans-57.1-49173.1168.6-91.2000111.4L131 N132 Q279 T281 T287L131-N283 HydrophobicContact CB-CB 4.46Å; L131-N283 HydrophobicContact CD1-CB 4.34Å; N132-N283 PolarHBondContact O-ND2 3.02Å; Q279-N283 WeakPolarHBondContact O-CB 3.45Å; Q279-N283 PolarHBondContact O-N 3.18Å; T281-N283 PolarHBondContact O-N 3.16Å; N283-T287 WeakPolarHBondContact O-CB 3.48Å; N283-T287 PolarHBondContact O-N 3.16Å; N283-T287 PolarHBondContact O-OG1 3.23Å
284Q88.2Confident89Confident82 Ų8226.5 Ų26.538%0.38314%0.143SC..Hα-helixtrans-64.3-45.7179-174.5-178.127.400112S280 T281 L282 T287 N288 T746S280-Q284 WeakPolarHBondContact O-CB 3.08Å; S280-Q284 PolarHBondContact O-N 2.84Å; T281-Q284 PolarHBondContact O-N 3.47Å; L282-Q284 PolarHBondContact O-N 3.39Å; Q284-T287 PolarHBondContact O-N 2.79Å; Q284-N288 PolarHBondContact O-N 3.02Å; Q284-N288 PolarHBondContact O-ND2 2.63Å; Q284-T746 PolarHBondContact NE2-OG1 3.06Å
285Q88.9Confident88.4Confident25 Ų2528.8 Ų28.812%0.11716%0.157CC..Hα-helixtrans-63.7-44.1-179.1-67.9-69.3-16.500111.1L171 I202 T281 L282 H289L171-Q285 HydrophobicContact CD1-CB 4.34Å; I202-Q285 HydrophobicContact CD1-CB 4.32Å; I202-Q285 HydrophobicContact CD1-CG 4.32Å; T281-Q285 HydrophobicContact CG2-CG 3.88Å; T281-Q285 WeakPolarHBondContact O-CB 3.48Å; T281-Q285 WeakPolarHBondContact O-CG 3.29Å; T281-Q285 PolarHBondContact O-N 3.32Å; L282-Q285 PolarHBondContact O-N 2.91Å; Q285-H289 WeakPolarHBondContact O-CB 3.19Å; Q285-H289 PolarHBondContact O-N 2.84Å
286L88.2Confident87.9Confident1 Ų130.9 Ų30.91%0.00518%0.179CC..Hα-helixtrans-62.8-45.6175-177.556.5000111.2I11 I35 L133 L282 N288 H289 I290I11-L286 HydrophobicContact CD1-CD2 4.05Å; I11-L286 HydrophobicContact CD1-CG 4.36Å; I11-L286 HydrophobicContact CG1-CD2 4.09Å; I11-L286 HydrophobicContact CG1-CG 4.26Å; I35-L286 HydrophobicContact CD1-CB 4.04Å; I35-L286 HydrophobicContact CG1-CB 4.31Å; I35-L286 HydrophobicContact CG1-CD1 4.1Å; I35-L286 HydrophobicContact CG1-CD2 4.49Å; L133-L286 HydrophobicContact CD1-CB 4.45Å; L133-L286 HydrophobicContact CD1-CD2 3.89Å; L282-L286 VanDerWaalsContact O-CB 3.27Å; L282-L286 WeakPolarHBondContact O-CB 2.98Å; L282-L286 PolarHBondContact O-N 3.11Å; L286-N288 VanDerWaalsContact C-N 3.35Å; L286-N288 PolarHBondContact O-N 3.05Å; L286-H289 PolarHBondContact O-N 3.08Å; L286-I290 HydrophobicContact CD1-CD1 4Å; L286-I290 HydrophobicContact CD1-CG1 4.05Å; L286-I290 HydrophobicContact CG-CD1 3.79Å; L286-I290 HydrophobicContact CG-CG1 4.32Å; L286-I290 VanDerWaalsContact O-CG1 3.24Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 3.44Å
287T85.6Confident87.4Confident8 Ų828 Ų285%0.04916%0.16CC..Hα-helixtrans-60.1-44.9-179.8-57.20000111.8M7 L10 N283 Q284 R291M7-T287 HydrophobicContact CB-CG2 3.77Å; M7-T287 HydrophobicContact CG-CG2 3.83Å; M7-T287 HydrophobicContact SD-CG2 3.46Å; M7-T287 WeakPolarHBondContact SD-CG2 3.4Å; L10-T287 HydrophobicContact CD1-CG2 4.03Å; N283-T287 WeakPolarHBondContact O-CB 3.48Å; N283-T287 PolarHBondContact O-N 3.16Å; N283-T287 PolarHBondContact O-OG1 3.23Å; Q284-T287 PolarHBondContact O-N 2.79Å; T287-R291 PolarHBondContact O-N 3.11Å
288N85.2Confident87Confident9 Ų929.2 Ų29.25%0.04816%0.162CC..Hα-helixtrans-65.1-43.4175.9-72-25000111.4Q284 L286 I290 R291 D292 T746Q284-N288 PolarHBondContact O-N 3.02Å; Q284-N288 PolarHBondContact O-ND2 2.63Å; L286-N288 VanDerWaalsContact C-N 3.35Å; L286-N288 PolarHBondContact O-N 3.05Å; N288-I290 PolarHBondContact O-N 3.26Å; N288-R291 WeakPolarHBondContact O-CB 3.15Å; N288-R291 PolarHBondContact O-N 2.81Å; N288-R291 PolarHBondContact OD1-NH1 3.43Å; N288-D292 VanDerWaalsContact O-CG 3.3Å; N288-D292 PolarHBondContact O-N 2.93Å; N288-T746 PolarHBondContact ND2-OG1 2.85Å; N288-T746 VanDerWaalsContact ND2-OG1 3.11Å
289H86.9Confident86.5Confident16 Ų1633.8 Ų33.87%0.07419%0.186CC..Hα-helixtrans-63-41.9179.4-173.165000112.7N169 L171 Q285 L286 R291 D292 T293N169-H289 VanDerWaalsContact C-NE2 3.3Å; N169-H289 PolarHBondContact O-CD2 2.78Å; N169-H289 PolarHBondContact O-NE2 3.44Å; L171-H289 HydrophobicContact CD1-CB 3.95Å; L171-H289 HydrophobicContact CD2-CB 4.41Å; L171-H289 HydrophobicContact CG-CB 4.33Å; Q285-H289 WeakPolarHBondContact O-CB 3.19Å; Q285-H289 PolarHBondContact O-N 2.84Å; L286-H289 PolarHBondContact O-N 3.08Å; H289-R291 VanDerWaalsContact C-N 3.35Å; H289-R291 PolarHBondContact O-N 2.92Å; H289-D292 PolarHBondContact O-N 3.17Å; H289-T293 WeakPolarHBondContact O-CB 3.26Å; H289-T293 WeakPolarHBondContact O-CG2 3.13Å; H289-T293 PolarHBondContact O-N 3.39Å; H289-T293 PolarHBondContact O-OG1 3.09Å
290I85Confident86.2Confident1 Ų137.2 Ų37.21%0.00520%0.201CC..Hα-helixtrans-58.7-47.8173.2-66.7164000110L10 I11 V14 P33 L286 N288 D292 T293 L294L10-I290 HydrophobicContact CB-CB 4.45Å; L10-I290 HydrophobicContact CB-CD1 4.49Å; L10-I290 HydrophobicContact CB-CG2 3.98Å; L10-I290 HydrophobicContact CD2-CG2 4.34Å; I11-I290 HydrophobicContact CB-CD1 4.48Å; I11-I290 HydrophobicContact CG1-CD1 3.77Å; V14-I290 HydrophobicContact CB-CD1 4.48Å; V14-I290 HydrophobicContact CG2-CB 4.48Å; V14-I290 HydrophobicContact CG2-CD1 3.67Å; V14-I290 HydrophobicContact CG2-CG1 3.8Å; V14-I290 HydrophobicContact CG2-CG2 3.8Å; P33-I290 HydrophobicContact CB-CB 4.42Å; P33-I290 HydrophobicContact CB-CG1 3.76Å; P33-I290 HydrophobicContact CG-CG1 4.21Å; L286-I290 HydrophobicContact CD1-CD1 4Å; L286-I290 HydrophobicContact CD1-CG1 4.05Å; L286-I290 HydrophobicContact CG-CD1 3.79Å; L286-I290 HydrophobicContact CG-CG1 4.32Å; L286-I290 VanDerWaalsContact O-CG1 3.24Å; L286-I290 WeakPolarHBondContact O-CG1 3.38Å; L286-I290 PolarHBondContact O-N 3.44Å; N288-I290 PolarHBondContact O-N 3.26Å; I290-D292 VanDerWaalsContact C-N 3.29Å; I290-D292 PolarHBondContact O-N 2.62Å; I290-T293 PolarHBondContact O-N 3.28Å; I290-T293 PolarHBondContact O-OG1 2.89Å; I290-L294 HydrophobicContact CG2-CB 4.47Å; I290-L294 WeakPolarHBondContact O-CB 3.46Å; I290-L294 PolarHBondContact O-N 3.26Å
291R81.2Confident85.9Confident22 Ų2234.4 Ų34.48%0.08318%0.181CC..Hα-helixtrans-58.1-42.6180-176.6-163.6-71.7120.4-8.7112M7 L10 T287 N288 H289 P295 M741 T743 V744M7-R291 PolarHBondContact SD-NH2 3.19Å; L10-R291 HydrophobicContact CD1-CB 4.04Å; T287-R291 PolarHBondContact O-N 3.11Å; N288-R291 WeakPolarHBondContact O-CB 3.15Å; N288-R291 PolarHBondContact O-N 2.81Å; N288-R291 PolarHBondContact OD1-NH1 3.43Å; H289-R291 VanDerWaalsContact C-N 3.35Å; H289-R291 PolarHBondContact O-N 2.92Å; R291-P295 WeakPolarHBondContact O-CD 3.29Å; R291-M741 HydrophobicContact CG-CE 4.39Å; R291-M741 WeakPolarHBondContact O-CE 3.46Å; R291-T743 VanDerWaalsContact CZ-OG1 3.3Å; R291-T743 PolarHBondContact NE-OG1 2.86Å; R291-T743 VanDerWaalsContact NH2-CB 3.32Å; R291-T743 PolarHBondContact NH2-OG1 3.43Å; R291-V744 PolarHBondContact NH2-O 3.23Å
292D83.9Confident85.7Confident88 Ų8837.3 Ų37.347%0.47119%0.194SC..Hα-helixtrans-73.4-33.1-174.7-65.8-15000111.9N288 H289 I290N288-D292 VanDerWaalsContact O-CG 3.3Å; N288-D292 PolarHBondContact O-N 2.93Å; H289-D292 PolarHBondContact O-N 3.17Å; I290-D292 VanDerWaalsContact C-N 3.29Å; I290-D292 PolarHBondContact O-N 2.62Å
293T83.8Confident85.5Confident20 Ų2041.1 Ų41.112%0.12322%0.22CC..Hα-helixtrans-96.3-28.1-17453.80000113.9P33 N169 H289 I290 P295 G296 L297P33-T293 WeakPolarHBondContact CG-OG1 3.33Å; N169-T293 VanDerWaalsContact OD1-CG2 3.29Å; N169-T293 WeakPolarHBondContact OD1-CG2 3.19Å; H289-T293 WeakPolarHBondContact O-CB 3.26Å; H289-T293 WeakPolarHBondContact O-CG2 3.13Å; H289-T293 PolarHBondContact O-N 3.39Å; H289-T293 PolarHBondContact O-OG1 3.09Å; I290-T293 PolarHBondContact O-N 3.28Å; I290-T293 PolarHBondContact O-OG1 2.89Å; T293-P295 VanDerWaalsContact C-CD 3.44Å; T293-G296 PolarHBondContact O-N 3.37Å; T293-G296 VanDerWaalsContact O-N 3.11Å; T293-L297 PolarHBondContact O-N 3.13Å
294L83.5Confident85.4Confident1 Ų143 Ų431%0.00523%0.228CC..Hα-helixtrans-57-39.3-177.8-17469.3000114.6L10 L13 L17 I290 G296 L297 R298 I736 M741L10-L294 HydrophobicContact CD2-CD2 4.42Å; L13-L294 HydrophobicContact CD2-CD1 4.36Å; L13-L294 HydrophobicContact CD2-CD2 3.59Å; L17-L294 HydrophobicContact CD1-CD1 4.4Å; I290-L294 HydrophobicContact CG2-CB 4.47Å; I290-L294 WeakPolarHBondContact O-CB 3.46Å; I290-L294 PolarHBondContact O-N 3.26Å; L294-G296 VanDerWaalsContact C-N 3.32Å; L294-G296 PolarHBondContact O-N 3.23Å; L294-L297 HydrophobicContact CD1-CD2 4.38Å; L294-L297 PolarHBondContact O-N 2.63Å; L294-R298 WeakPolarHBondContact O-CB 3.42Å; L294-R298 PolarHBondContact O-N 3.03Å; L294-I736 HydrophobicContact CD1-CD1 4.27Å; L294-I736 HydrophobicContact CD1-CG1 4.13Å; L294-I736 HydrophobicContact CD1-CG2 4.41Å; L294-I736 HydrophobicContact CG-CG2 4.41Å; L294-M741 HydrophobicContact CB-CE 4.12Å; L294-M741 HydrophobicContact CD2-CE 4.01Å; L294-M741 HydrophobicContact CD2-SD 4.09Å; L294-M741 HydrophobicContact CG-CE 4.42Å; L294-M741 HydrophobicContact CG-SD 4.49Å
295P82.9Confident85.3Confident50 Ų5040.4 Ų40.433%0.32522%0.216SC..Hα-helixtrans-63.3-39.6176.2-21.434.6000111.9R291 T293 R298 N299 M741R291-P295 WeakPolarHBondContact O-CD 3.29Å; T293-P295 VanDerWaalsContact C-CD 3.44Å; P295-R298 PolarHBondContact O-N 3.29Å; P295-N299 VanDerWaalsContact O-CG 3.28Å; P295-N299 PolarHBondContact O-N 3.39Å; P295-N299 PolarHBondContact O-ND2 3.32Å; P295-M741 HydrophobicContact CG-CE 3.59Å; P295-M741 HydrophobicContact CG-SD 4.06Å
296G84.3Confident85.2Confident45 Ų4543.6 Ų43.646%0.46423%0.234SC..Hα-helixtrans-64.1-44.7175.100000111.7T293 L294 R298 N299 K300T293-G296 PolarHBondContact O-N 3.37Å; T293-G296 VanDerWaalsContact O-N 3.11Å; L294-G296 VanDerWaalsContact C-N 3.32Å; L294-G296 PolarHBondContact O-N 3.23Å; G296-R298 PolarHBondContact O-N 2.92Å; G296-N299 PolarHBondContact O-N 2.71Å; G296-K300 PolarHBondContact O-N 3.41Å
297L83.3Confident85.1Confident5 Ų547.1 Ų47.13%0.02626%0.263CS..Hα-helixtrans-60.3-45.8175.5-178.263.6000112L30 L32 T293 L294 N299 K300 L301L30-L297 HydrophobicContact CD2-CD1 3.66Å; L32-L297 HydrophobicContact CD2-CD2 3.71Å; T293-L297 PolarHBondContact O-N 3.13Å; L294-L297 HydrophobicContact CD1-CD2 4.38Å; L294-L297 PolarHBondContact O-N 2.63Å; L297-N299 VanDerWaalsContact C-N 3.35Å; L297-N299 PolarHBondContact O-N 2.78Å; L297-K300 PolarHBondContact O-N 2.83Å; L297-L301 HydrophobicContact CD1-CD1 4.47Å; L297-L301 HydrophobicContact CG-CD1 4.2Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 WeakPolarHBondContact O-CG 3.39Å; L297-L301 PolarHBondContact O-N 3.37Å
298R85.2Confident85Confident100 Ų10048.6 Ų48.638%0.37727%0.269SS..Hα-helixtrans-57.1-47.9176179.4-174.3168.8159.61.8111.3L294 P295 G296 L301 Q302 L733 I736L294-R298 WeakPolarHBondContact O-CB 3.42Å; L294-R298 PolarHBondContact O-N 3.03Å; P295-R298 PolarHBondContact O-N 3.29Å; G296-R298 PolarHBondContact O-N 2.92Å; R298-L301 PolarHBondContact O-N 2.86Å; R298-Q302 VanDerWaalsContact O-CB 3.31Å; R298-Q302 WeakPolarHBondContact O-CB 3.37Å; R298-Q302 PolarHBondContact O-N 3.23Å; R298-L733 HydrophobicContact CG-CD2 4.06Å; R298-I736 HydrophobicContact CB-CD1 4.36Å; R298-I736 HydrophobicContact CB-CG2 4.19Å; R298-I736 HydrophobicContact CG-CG2 4.17Å
299N86.2Confident85Confident96 Ų9651.8 Ų51.851%0.51328%0.284SS..Hα-helixtrans-62.3-43.5179.1-70.7-20.1000111.3P295 G296 L297 Q302 S303P295-N299 VanDerWaalsContact O-CG 3.28Å; P295-N299 PolarHBondContact O-N 3.39Å; P295-N299 PolarHBondContact O-ND2 3.32Å; G296-N299 PolarHBondContact O-N 2.71Å; L297-N299 VanDerWaalsContact C-N 3.35Å; L297-N299 PolarHBondContact O-N 2.78Å; N299-Q302 PolarHBondContact O-N 3.45Å; N299-S303 WeakPolarHBondContact O-CB 3.31Å; N299-S303 PolarHBondContact O-N 2.98Å; N299-S303 PolarHBondContact O-OG 3.11Å
300K85.2Confident84.6Confident93 Ų9358.2 Ų58.240%0.40431%0.312SS..Hα-helixtrans-59.6-49.4176.8-172.9177.2177.3-179.10111.5D31 G296 L297 S303 Q304D31-K300 IonicContact OD2-NZ 3.19Å; D31-K300 PolarHBondContact OD2-NZ 2.69Å; G296-K300 PolarHBondContact O-N 3.41Å; L297-K300 PolarHBondContact O-N 2.83Å; K300-S303 PolarHBondContact O-N 3.36Å; K300-Q304 WeakPolarHBondContact O-CG 3.34Å; K300-Q304 PolarHBondContact O-N 3.33Å
301L84.1Confident84.4Confident1 Ų162.8 Ų62.81%0.00533%0.333CS..Hα-helixtrans-60.1-45.5176.6-77.9172.5000112F21 L28 L30 L297 R298 Q304 M305 M729 A732 L733 I736F21-L301 HydrophobicContact CZ-CD2 4.24Å; L28-L301 HydrophobicContact CD2-CD2 4.11Å; L30-L301 HydrophobicContact CD2-CD1 4.41Å; L30-L301 HydrophobicContact CD2-CD2 3.67Å; L30-L301 HydrophobicContact CD2-CG 4.12Å; L297-L301 HydrophobicContact CD1-CD1 4.47Å; L297-L301 HydrophobicContact CG-CD1 4.2Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 WeakPolarHBondContact O-CG 3.39Å; L297-L301 PolarHBondContact O-N 3.37Å; R298-L301 PolarHBondContact O-N 2.86Å; L301-Q304 PolarHBondContact O-N 3.46Å; L301-M305 WeakPolarHBondContact O-CB 3.28Å; L301-M305 PolarHBondContact O-N 3.41Å; L301-M729 HydrophobicContact CD2-CG 4.11Å; L301-A732 HydrophobicContact CD1-CB 4.23Å; L301-L733 HydrophobicContact CB-CD2 3.97Å; L301-L733 HydrophobicContact CB-CG 4.22Å; L301-I736 HydrophobicContact CD1-CD1 3.81Å
302Q87.4Confident84.4Confident79 Ų7961.8 Ų61.837%0.36933%0.329SS..Hα-helixtrans-64.7-44.1179.9-174.8174.8-6.800112R298 N299 M305 L306 L733R298-Q302 VanDerWaalsContact O-CB 3.31Å; R298-Q302 WeakPolarHBondContact O-CB 3.37Å; R298-Q302 PolarHBondContact O-N 3.23Å; N299-Q302 PolarHBondContact O-N 3.45Å; Q302-M305 PolarHBondContact O-N 3.38Å; Q302-L306 HydrophobicContact CG-CD1 4.17Å; Q302-L306 WeakPolarHBondContact O-CB 3.23Å; Q302-L306 VanDerWaalsContact O-CG 3.3Å; Q302-L306 WeakPolarHBondContact O-CG 3.49Å; Q302-L306 PolarHBondContact O-N 3.31Å; Q302-L733 HydrophobicContact CB-CD1 4.37Å; Q302-L733 HydrophobicContact CB-CD2 4.21Å
303S88.2Confident84.1Confident80 Ų8061.8 Ų61.856%0.55933%0.327SS*.Hα-helixtrans-63.6-42.3177-66.60000112.4N299 K300 L306 A307N299-S303 WeakPolarHBondContact O-CB 3.31Å; N299-S303 PolarHBondContact O-N 2.98Å; N299-S303 PolarHBondContact O-OG 3.11Å; K300-S303 PolarHBondContact O-N 3.36Å; S303-L306 PolarHBondContact O-N 3.27Å; S303-A307 PolarHBondContact O-N 3.38Å
304Q85.3Confident83.5Confident81 Ų8166.5 Ų66.538%0.37935%0.347SS..Hα-helixtrans-65.4-44.1176.6-73.9-177.8-24.300111.9K300 L301 L306 A307 M308 M729K300-Q304 WeakPolarHBondContact O-CG 3.34Å; K300-Q304 PolarHBondContact O-N 3.33Å; L301-Q304 PolarHBondContact O-N 3.46Å; Q304-L306 PolarHBondContact O-N 3.39Å; Q304-A307 PolarHBondContact O-N 3.13Å; Q304-M308 WeakPolarHBondContact O-CG 3.48Å; Q304-M308 PolarHBondContact O-N 2.95Å; Q304-M308 VanDerWaalsContact O-N 3.12Å; Q304-M729 HydrophobicContact CB-CE 3.79Å; Q304-M729 HydrophobicContact CB-SD 3.92Å
305M86Confident82.9Confident28 Ų2869.3 Ų69.314%0.13836%0.358CS..Hα-helixtrans-59.4-45.4176.4-174.1-169.272.600111.7L301 Q302 A307 M308 E309 Y726 M729 K730 L733L301-M305 WeakPolarHBondContact O-CB 3.28Å; L301-M305 PolarHBondContact O-N 3.41Å; Q302-M305 PolarHBondContact O-N 3.38Å; M305-A307 VanDerWaalsContact C-N 3.35Å; M305-A307 PolarHBondContact O-N 3.23Å; M305-M308 PolarHBondContact O-N 3.27Å; M305-E309 PolarHBondContact O-N 2.98Å; M305-Y726 HydrophobicContact CG-CD2 3.85Å; M305-Y726 HydrophobicContact CG-CE2 3.57Å; M305-M729 HydrophobicContact CB-CB 4.24Å; M305-M729 HydrophobicContact CB-SD 4.31Å; M305-M729 HydrophobicContact CG-CB 4.47Å; M305-K730 HydrophobicContact SD-CB 4.25Å; M305-L733 HydrophobicContact CB-CD1 4.39Å; M305-L733 HydrophobicContact CE-CD1 3.85Å; M305-L733 HydrophobicContact SD-CD1 3.58Å; M305-L733 VanDerWaalsContact SD-CD1 3.58Å
306L88.3Confident82.1Confident92 Ų9271.3 Ų71.348%0.48236%0.362SS..Hα-helixtrans-64.1-37.4178-73.9170.9000112.5Q302 S303 Q304 M308 E309Q302-L306 HydrophobicContact CG-CD1 4.17Å; Q302-L306 WeakPolarHBondContact O-CB 3.23Å; Q302-L306 VanDerWaalsContact O-CG 3.3Å; Q302-L306 WeakPolarHBondContact O-CG 3.49Å; Q302-L306 PolarHBondContact O-N 3.31Å; S303-L306 PolarHBondContact O-N 3.27Å; Q304-L306 PolarHBondContact O-N 3.39Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.44Å; L306-E309 PolarHBondContact O-N 3.48Å
307A86.4Confident81.1Confident75 Ų7575.4 Ų75.462%0.6237%0.369SS*.Hα-helixtrans-65.4-34.9176.600000112.2S303 Q304 M305S303-A307 PolarHBondContact O-N 3.38Å; Q304-A307 PolarHBondContact O-N 3.13Å; M305-A307 VanDerWaalsContact C-N 3.35Å; M305-A307 PolarHBondContact O-N 3.23Å
308M82.7Confident79.9Confident38 Ų3877 Ų7719%0.18738%0.375CS..Hα-helixtrans-83.1-19.7178.8-67.3177.472.500113.3Q304 M305 L306 K310 E311 V312 M722 V725 Y726 M729Q304-M308 WeakPolarHBondContact O-CG 3.48Å; Q304-M308 PolarHBondContact O-N 2.95Å; Q304-M308 VanDerWaalsContact O-N 3.12Å; M305-M308 PolarHBondContact O-N 3.27Å; L306-M308 VanDerWaalsContact C-N 3.29Å; L306-M308 PolarHBondContact O-N 3.44Å; M308-K310 PolarHBondContact O-N 3.48Å; M308-E311 PolarHBondContact O-N 3.45Å; M308-V312 HydrophobicContact CB-CG2 4.37Å; M308-V312 WeakPolarHBondContact O-CB 3.42Å; M308-V312 VanDerWaalsContact O-CG2 3.31Å; M308-V312 WeakPolarHBondContact O-CG2 3.47Å; M308-V312 PolarHBondContact O-N 2.97Å; M308-M722 HydrophobicContact CB-CE 3.85Å; M308-M722 HydrophobicContact CE-CB 4.39Å; M308-M722 HydrophobicContact CE-CE 4.15Å; M308-M722 HydrophobicContact CE-CG 3.65Å; M308-M722 HydrophobicContact CE-SD 4.41Å; M308-M722 HydrophobicContact CG-CE 4.13Å; M308-M722 WeakPolarHBondContact O-CE 3.44Å; M308-V725 HydrophobicContact CE-CB 4.05Å; M308-V725 HydrophobicContact CE-CG1 3.84Å; M308-V725 HydrophobicContact SD-CG1 4.08Å; M308-Y726 HydrophobicContact CB-CD2 4.38Å; M308-M729 HydrophobicContact SD-CE 4.22Å; M308-M729 HydrophobicContact SD-SD 4.19Å
309E84.3Confident78.7Confident76 Ų7678.7 Ų78.736%0.35539%0.385SS..Hα-helixtrans-57.9-44.3-169.2-173.6162.5-124.300113.3M305 L306 V312 E313 Y726M305-E309 PolarHBondContact O-N 2.98Å; L306-E309 PolarHBondContact O-N 3.48Å; E309-V312 PolarHBondContact O-N 3.21Å; E309-E313 VanDerWaalsContact O-CB 3.31Å; E309-E313 WeakPolarHBondContact O-CB 3.39Å; E309-E313 PolarHBondContact O-N 3.03Å; E309-Y726 HydrophobicContact CB-CE2 4.03Å; E309-Y726 HydrophobicContact CG-CE2 4.21Å; E309-Y726 PolarHBondContact OE1-OH 3Å
310K80Confident77.3Confident152 Ų15277.8 Ų77.866%0.66138%0.384SS*.Hα-helixtrans-62.3-48.6-179.8-175.1-172.6172.2-165.10112.1M308 E313 E314M308-K310 PolarHBondContact O-N 3.48Å; K310-E313 PolarHBondContact O-N 3.04Å; K310-E314 WeakPolarHBondContact CE-OE1 3.49Å; K310-E314 WeakPolarHBondContact O-CG 3.45Å; K310-E314 PolarHBondContact O-N 3.26Å
311E80.3Confident76.1Confident96 Ų9677.8 Ų77.845%0.44940%0.396SS..Hα-helixtrans-67.4-38.9-179.7-76.8177.2-153.900111.3M308 E314 Y315 M722M308-E311 PolarHBondContact O-N 3.45Å; E311-E314 PolarHBondContact O-N 3.05Å; E311-Y315 WeakPolarHBondContact O-CD2 3.39Å; E311-Y315 VanDerWaalsContact O-CG 3.3Å; E311-Y315 PolarHBondContact O-N 3.09Å; E311-M722 HydrophobicContact CB-CE 3.18Å; E311-M722 HydrophobicContact CB-SD 4.18Å; E311-M722 HydrophobicContact CG-CE 4.18Å; E311-M722 VanDerWaalsContact OE2-CE 3.29Å; E311-M722 WeakPolarHBondContact OE2-CE 3.5Å
312V81.5Confident75.4Confident1 Ų180.6 Ų80.61%0.00641%0.411CS..Hα-helixtrans-65.2-38.6174171.70000111.6M308 E309 E314 Y315 K316 M722 V723 Y726M308-V312 HydrophobicContact CB-CG2 4.37Å; M308-V312 WeakPolarHBondContact O-CB 3.42Å; M308-V312 VanDerWaalsContact O-CG2 3.31Å; M308-V312 WeakPolarHBondContact O-CG2 3.47Å; M308-V312 PolarHBondContact O-N 2.97Å; E309-V312 PolarHBondContact O-N 3.21Å; V312-E314 VanDerWaalsContact C-N 3.34Å; V312-Y315 CarbonylContact O-C 3.48Å; V312-Y315 PolarHBondContact O-N 3.36Å; V312-K316 HydrophobicContact CG1-CD 3.97Å; V312-K316 HydrophobicContact CG1-CG 4.19Å; V312-K316 WeakPolarHBondContact O-CB 3.37Å; V312-K316 WeakPolarHBondContact O-CG 3.31Å; V312-K316 PolarHBondContact O-N 3.46Å; V312-M722 HydrophobicContact CG2-CE 3.77Å; V312-M722 HydrophobicContact CG2-CG 3.76Å; V312-V723 HydrophobicContact CG1-CG2 4.4Å; V312-Y726 HydrophobicContact CB-CD2 4.3Å; V312-Y726 HydrophobicContact CB-CG 4.26Å; V312-Y726 HydrophobicContact CG1-CD1 3.89Å; V312-Y726 HydrophobicContact CG1-CD2 4.36Å; V312-Y726 HydrophobicContact CG1-CE1 4.31Å; V312-Y726 HydrophobicContact CG1-CG 3.92Å; V312-Y726 HydrophobicContact CG2-CD2 4.03Å; V312-Y726 HydrophobicContact CG2-CG 3.9Å
313E77.8Confident74.6Confident89 Ų8980.5 Ų80.542%0.41642%0.417SS..Hα-helixtrans-66.3-38.7177.6-162.163.3-154.600111.3E309 K310 Y315 K316 H317E309-E313 VanDerWaalsContact O-CB 3.31Å; E309-E313 WeakPolarHBondContact O-CB 3.39Å; E309-E313 PolarHBondContact O-N 3.03Å; K310-E313 PolarHBondContact O-N 3.04Å; E313-Y315 VanDerWaalsContact C-N 3.32Å; E313-K316 PolarHBondContact O-N 3.31Å; E313-H317 PolarHBondContact O-N 3.04Å; E313-H317 PolarHBondContact O-ND1 3.37Å; E313-H317 IonicContact OE1-CE1 3.02Å; E313-H317 PolarHBondContact OE1-CE1 3.31Å; E313-H317 IonicContact OE1-ND1 2.84Å
314E71.2Confident74.1Confident118 Ų11880.5 Ų80.555%0.55142%0.417SS*.Hα-helixtrans-61.4-40.7170.9-72176.7-165.600111.2K310 E311 V312 Y318K310-E314 WeakPolarHBondContact CE-OE1 3.49Å; K310-E314 WeakPolarHBondContact O-CG 3.45Å; K310-E314 PolarHBondContact O-N 3.26Å; E311-E314 PolarHBondContact O-N 3.05Å; V312-E314 VanDerWaalsContact C-N 3.34Å; E314-Y318 PolarHBondContact O-N 2.92Å
315Y71Confident73.6Confident60 Ų6081.4 Ų81.424%0.23542%0.42CS..Hα-helixtrans-73.7-34.2177-69.1-39.4000114.8E311 V312 E313 H317 Y318 R719 M722E311-Y315 WeakPolarHBondContact O-CD2 3.39Å; E311-Y315 VanDerWaalsContact O-CG 3.3Å; E311-Y315 PolarHBondContact O-N 3.09Å; V312-Y315 CarbonylContact O-C 3.48Å; V312-Y315 PolarHBondContact O-N 3.36Å; E313-Y315 VanDerWaalsContact C-N 3.32Å; Y315-H317 VanDerWaalsContact C-N 3.29Å; Y315-H317 PolarHBondContact O-N 3.5Å; Y315-Y318 WeakPolarHBondContact O-CB 3.36Å; Y315-Y318 PolarHBondContact O-N 2.77Å; Y315-Y318 VanDerWaalsContact O-N 3.11Å; Y315-R719 HydrophobicContact CD1-CB 4.22Å; Y315-R719 VanDerWaalsContact CD1-CD 3.4Å; Y315-R719 HydrophobicContact CD1-CG 3.55Å; Y315-R719 HydrophobicContact CD2-CB 4.41Å; Y315-R719 HydrophobicContact CD2-CG 3.9Å; Y315-R719 HydrophobicContact CE1-CB 4.22Å; Y315-R719 HydrophobicContact CE1-CG 4.06Å; Y315-R719 HydrophobicContact CE2-CB 4.41Å; Y315-R719 HydrophobicContact CE2-CG 4.37Å; Y315-R719 HydrophobicContact CG-CB 4.33Å; Y315-R719 HydrophobicContact CG-CG 3.47Å; Y315-R719 VanDerWaalsContact CG-CG 3.47Å; Y315-M722 HydrophobicContact CD2-CG 4.42Å; Y315-M722 HydrophobicContact CD2-SD 4.22Å; Y315-M722 HydrophobicContact CE2-CG 4.38Å; Y315-M722 HydrophobicContact CE2-SD 3.72Å
316K66.5Low73.2Confident93 Ų9381 Ų8140%0.40442%0.417SS..Hα-helixtrans-67.6-32.7175.4-78.2179.7176.5175.90111.6V312 E313 Y318 D727V312-K316 HydrophobicContact CG1-CD 3.97Å; V312-K316 HydrophobicContact CG1-CG 4.19Å; V312-K316 WeakPolarHBondContact O-CB 3.37Å; V312-K316 WeakPolarHBondContact O-CG 3.31Å; V312-K316 PolarHBondContact O-N 3.46Å; E313-K316 PolarHBondContact O-N 3.31Å; K316-Y318 VanDerWaalsContact C-N 3.3Å; K316-D727 IonicContact NZ-OD1 2.91Å; K316-D727 PolarHBondContact NZ-OD1 2.88Å
317H61.6Low73Confident130 Ų13079.1 Ų79.160%0.60241%0.41SS*.THydrogen-bonded Turntrans-81-8.9172.3-72.395.6000113.7E313 Y315 K319E313-H317 PolarHBondContact O-N 3.04Å; E313-H317 PolarHBondContact O-ND1 3.37Å; E313-H317 IonicContact OE1-CE1 3.02Å; E313-H317 PolarHBondContact OE1-CE1 3.31Å; E313-H317 IonicContact OE1-ND1 2.84Å; Y315-H317 VanDerWaalsContact C-N 3.29Å; Y315-H317 PolarHBondContact O-N 3.5Å; H317-K319 PolarHBondContact O-N 3.45Å
318Y59.6Low72.9Confident40 Ų4082.3 Ų82.316%0.15741%0.409CS..  trans-67.197.1175-171.8-98000109.4E314 Y315 K316 P320 F325E314-Y318 PolarHBondContact O-N 2.92Å; Y315-Y318 WeakPolarHBondContact O-CB 3.36Å; Y315-Y318 PolarHBondContact O-N 2.77Å; Y315-Y318 VanDerWaalsContact O-N 3.11Å; K316-Y318 VanDerWaalsContact C-N 3.3Å; Y318-P320 HydrophobicContact CD1-CG 4.23Å; Y318-P320 HydrophobicContact CE1-CG 4.02Å; Y318-P320 WeakPolarHBondContact O-CD 3.32Å; Y318-F325 HydrophobicContact CD2-CD1 4.29Å; Y318-F325 AromaticContact CD2-CE1 3.81Å; Y318-F325 HydrophobicContact CD2-CE1 3.81Å; Y318-F325 HydrophobicContact CD2-CZ 4.01Å; Y318-F325 HydrophobicContact CE2-CD1 4.02Å; Y318-F325 AromaticContact CE2-CE1 3.5Å; Y318-F325 HydrophobicContact CE2-CE1 3.5Å; Y318-F325 VanDerWaalsContact CE2-CE1 3.5Å; Y318-F325 HydrophobicContact CE2-CZ 4.11Å
319K59.7Low73Confident135 Ų13581.2 Ų81.259%0.58741%0.407SS*.  trans-95.8110.9169.4-71.6-178.6-178.21770107.7H317 S321 D322H317-K319 PolarHBondContact O-N 3.45Å; K319-S321 PolarHBondContact O-N 3.27Å; K319-D322 HydrophobicContact CB-CB 4.03Å; K319-D322 PolarHBondContact O-N 2.93Å
320P57.2Low73.3Confident76 Ų7677.7 Ų77.749%0.49439%0.39SS..THydrogen-bonded Turntrans-56-20.1174.3-23.632.5000113.1Y318 K326Y318-P320 HydrophobicContact CD1-CG 4.23Å; Y318-P320 HydrophobicContact CE1-CG 4.02Å; Y318-P320 WeakPolarHBondContact O-CD 3.32Å; P320-K326 WeakPolarHBondContact O-CE 3.27Å; P320-K326 PolarHBondContact O-NZ 3.31Å
321S60.1Low73.7Confident93 Ų9373.6 Ų73.665%0.6538%0.375SS*.THydrogen-bonded Turntrans-90.9-3.817964.10000114.8K319 P323K319-S321 PolarHBondContact O-N 3.27Å; S321-P323 WeakPolarHBondContact O-CD 3.48Å
322D68.9Low74.2Confident60 Ų6073.5 Ų73.532%0.32138%0.377SS..  trans-82.8108.6179.2-169.7-21000110.5K319 S324 F325K319-D322 HydrophobicContact CB-CB 4.03Å; K319-D322 PolarHBondContact O-N 2.93Å; D322-S324 PolarHBondContact O-N 2.97Å; D322-S324 WeakPolarHBondContact OD1-CB 3.44Å; D322-S324 PolarHBondContact OD1-N 2.87Å; D322-S324 PolarHBondContact OD1-OG 3.04Å; D322-S324 PolarHBondContact OD2-OG 3.47Å; D322-F325 HydrophobicContact CB-CB 4.49Å
323P69.8Low74.7Confident78 Ų7874.7 Ų74.751%0.50639%0.385SS..Hα-helixtrans-66.5-28.4-177.9-17.933.8000112.2S321 K326 T327S321-P323 WeakPolarHBondContact O-CD 3.48Å; P323-K326 PolarHBondContact O-N 3.41Å; P323-T327 WeakPolarHBondContact O-CB 3.4Å; P323-T327 PolarHBondContact O-N 3.38Å; P323-T327 PolarHBondContact O-OG1 2.9Å
324S78.1Confident75.4Confident79 Ų7970.7 Ų70.755%0.55237%0.366SS*.Hα-helixtrans-68.3-39.8-175.170.80000112.1D322 K328D322-S324 PolarHBondContact O-N 2.97Å; D322-S324 WeakPolarHBondContact OD1-CB 3.44Å; D322-S324 PolarHBondContact OD1-N 2.87Å; D322-S324 PolarHBondContact OD1-OG 3.04Å; D322-S324 PolarHBondContact OD2-OG 3.47Å; S324-K328 PolarHBondContact O-N 2.95Å
325F74.2Confident76.5Confident101 Ų10169.7 Ų69.744%0.44336%0.362SS..Hα-helixtrans-63.6-46.9175-176.9-85.8000110.9Y318 D322 T327 K328 A329Y318-F325 HydrophobicContact CD2-CD1 4.29Å; Y318-F325 AromaticContact CD2-CE1 3.81Å; Y318-F325 HydrophobicContact CD2-CE1 3.81Å; Y318-F325 HydrophobicContact CD2-CZ 4.01Å; Y318-F325 HydrophobicContact CE2-CD1 4.02Å; Y318-F325 AromaticContact CE2-CE1 3.5Å; Y318-F325 HydrophobicContact CE2-CE1 3.5Å; Y318-F325 VanDerWaalsContact CE2-CE1 3.5Å; Y318-F325 HydrophobicContact CE2-CZ 4.11Å; D322-F325 HydrophobicContact CB-CB 4.49Å; F325-T327 PolarHBondContact O-N 2.98Å; F325-K328 PolarHBondContact O-N 3.27Å; F325-A329 HydrophobicContact CE1-CB 4.37Å; F325-A329 WeakPolarHBondContact O-CB 3.3Å; F325-A329 PolarHBondContact O-N 3.39Å
326K78.8Confident77.5Confident19 Ų1969.6 Ų69.68%0.08337%0.37CS..Hα-helixtrans-61.9-43.8178.3-73.9-176.2175.6176.60112.2P320 P323 K328 A329 L330 L705 N706 M709P320-K326 WeakPolarHBondContact O-CE 3.27Å; P320-K326 PolarHBondContact O-NZ 3.31Å; P323-K326 PolarHBondContact O-N 3.41Å; K326-K328 PolarHBondContact O-N 3.31Å; K326-A329 PolarHBondContact O-N 3.37Å; K326-L330 VanDerWaalsContact O-CB 3.29Å; K326-L330 WeakPolarHBondContact O-CB 3.34Å; K326-L330 PolarHBondContact O-N 3.4Å; K326-L705 HydrophobicContact CB-CD1 4.5Å; K326-L705 HydrophobicContact CB-CD2 4.16Å; K326-L705 HydrophobicContact CB-CG 4.18Å; K326-N706 PolarHBondContact NZ-OD1 3.46Å; K326-M709 HydrophobicContact CB-CB 4.17Å; K326-M709 HydrophobicContact CB-CG 4.12Å; K326-M709 HydrophobicContact CD-CB 3.94Å; K326-M709 HydrophobicContact CG-CB 3.93Å; K326-M709 HydrophobicContact CG-CG 4.43Å
327T84.1Confident78.9Confident53 Ų5365.3 Ų65.333%0.32535%0.351SS..Hα-helixtrans-59.4-45.6175.7-650000111.6P323 F325 L331P323-T327 WeakPolarHBondContact O-CB 3.4Å; P323-T327 PolarHBondContact O-N 3.38Å; P323-T327 PolarHBondContact O-OG1 2.9Å; F325-T327 PolarHBondContact O-N 2.98Å; T327-L331 WeakPolarHBondContact O-CB 3.47Å; T327-L331 PolarHBondContact O-N 3.4Å
328K84.2Confident80.5Confident141 Ų14161 Ų6161%0.61333%0.331SS*.Hα-helixtrans-64.7-44.7177.6-174.5-177.9178.1-174.60111.7S324 F325 K326 L331 L332S324-K328 PolarHBondContact O-N 2.95Å; F325-K328 PolarHBondContact O-N 3.27Å; K326-K328 PolarHBondContact O-N 3.31Å; K328-L331 PolarHBondContact O-N 2.99Å; K328-L332 HydrophobicContact CG-CD1 4.11Å; K328-L332 WeakPolarHBondContact O-CG 3.41Å; K328-L332 PolarHBondContact O-N 3.44Å
329A84.4Confident82.1Confident16 Ų1666.6 Ų66.613%0.13236%0.356CS..Hα-helixtrans-64.6-4217900000111.9F325 K326 L332 T333 F450 M709F325-A329 HydrophobicContact CE1-CB 4.37Å; F325-A329 WeakPolarHBondContact O-CB 3.3Å; F325-A329 PolarHBondContact O-N 3.39Å; K326-A329 PolarHBondContact O-N 3.37Å; A329-L332 PolarHBondContact O-N 2.95Å; A329-T333 WeakPolarHBondContact O-CB 3.36Å; A329-T333 PolarHBondContact O-N 2.89Å; A329-T333 PolarHBondContact O-OG1 3.15Å; A329-F450 HydrophobicContact CB-CZ 4.37Å; A329-M709 HydrophobicContact CB-CE 3.53Å
330L89.5Confident83.7Confident1 Ų161 Ų611%0.00533%0.333CS..Hα-helixtrans-56.6-52.7173175.561.9000110.6K326 L332 T333 V334 L453 L696 L699 Y700 L705 M709K326-L330 VanDerWaalsContact O-CB 3.29Å; K326-L330 WeakPolarHBondContact O-CB 3.34Å; K326-L330 PolarHBondContact O-N 3.4Å; L330-L332 PolarHBondContact O-N 3.01Å; L330-T333 PolarHBondContact O-N 3.43Å; L330-V334 HydrophobicContact CD1-CG2 3.97Å; L330-V334 WeakPolarHBondContact O-CG2 3.26Å; L330-V334 PolarHBondContact O-N 2.74Å; L330-L453 HydrophobicContact CD1-CD1 3.34Å; L330-L453 HydrophobicContact CD1-CD2 3.76Å; L330-L453 HydrophobicContact CD1-CG 4.19Å; L330-L696 HydrophobicContact CD2-CD1 3.97Å; L330-L696 HydrophobicContact CG-CD1 3.92Å; L330-L699 HydrophobicContact CD1-CD1 4.49Å; L330-Y700 HydrophobicContact CD2-CE1 4.09Å; L330-Y700 HydrophobicContact CD2-CE2 4.05Å; L330-L705 HydrophobicContact CB-CD1 4.38Å; L330-L705 HydrophobicContact CD2-CD1 3.59Å; L330-M709 HydrophobicContact CB-CE 4.29Å; L330-M709 HydrophobicContact CB-CG 4.4Å; L330-M709 HydrophobicContact CB-SD 3.74Å; L330-M709 HydrophobicContact CD1-SD 4Å; L330-M709 HydrophobicContact CG-SD 4.44Å
331L89.3Confident85.5Confident67 Ų6757.3 Ų57.335%0.35131%0.309SS..Hα-helixtrans-59.3-46.5-178.6179.9142.2000112T327 K328 T333 V334 Q335T327-L331 WeakPolarHBondContact O-CB 3.47Å; T327-L331 PolarHBondContact O-N 3.4Å; K328-L331 PolarHBondContact O-N 2.99Å; L331-T333 PolarHBondContact O-N 3.03Å; L331-V334 PolarHBondContact O-N 2.9Å; L331-Q335 HydrophobicContact CD2-CG 4.5Å; L331-Q335 WeakPolarHBondContact O-CB 3.33Å; L331-Q335 VanDerWaalsContact O-CG 3.23Å; L331-Q335 WeakPolarHBondContact O-CG 3.3Å; L331-Q335 PolarHBondContact O-N 3.35Å
332L90.3Very high87.1Confident93 Ų9355.3 Ų55.349%0.48729%0.289SS..Hα-helixtrans-65.9-37.9178.3-70.6174.6000112.4K328 A329 L330 S336K328-L332 HydrophobicContact CG-CD1 4.11Å; K328-L332 WeakPolarHBondContact O-CG 3.41Å; K328-L332 PolarHBondContact O-N 3.44Å; A329-L332 PolarHBondContact O-N 2.95Å; L330-L332 PolarHBondContact O-N 3.01Å; L332-S336 WeakPolarHBondContact O-CB 3.4Å; L332-S336 PolarHBondContact O-N 3.45Å
333T91.5Very high88.1Confident26 Ų2656.2 Ų56.216%0.1629%0.291CS..Hα-helixtrans-67.7-44.4179.2-520000110.7A329 L330 L331 S336 F337 M447 L453A329-T333 WeakPolarHBondContact O-CB 3.36Å; A329-T333 PolarHBondContact O-N 2.89Å; A329-T333 PolarHBondContact O-OG1 3.15Å; L330-T333 PolarHBondContact O-N 3.43Å; L331-T333 PolarHBondContact O-N 3.03Å; T333-S336 WeakPolarHBondContact O-CB 3.42Å; T333-S336 PolarHBondContact O-N 3.45Å; T333-F337 PolarHBondContact O-N 3.4Å; T333-M447 HydrophobicContact CG2-CB 4.26Å; T333-M447 HydrophobicContact CG2-CE 3.72Å; T333-M447 HydrophobicContact CG2-CG 3.75Å; T333-M447 HydrophobicContact CG2-SD 4.29Å; T333-L453 HydrophobicContact CG2-CD2 3.96Å
334V93.5Very high89.2Confident6 Ų653.5 Ų53.54%0.03628%0.275CS..Hα-helixtrans-65.3-42.1176.8173.80000111.3L330 L331 S336 F337 E338 L695 L696 L699L330-V334 HydrophobicContact CD1-CG2 3.97Å; L330-V334 WeakPolarHBondContact O-CG2 3.26Å; L330-V334 PolarHBondContact O-N 2.74Å; L331-V334 PolarHBondContact O-N 2.9Å; V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 2.93Å; V334-F337 PolarHBondContact O-N 2.87Å; V334-E338 PolarHBondContact O-N 3.27Å; V334-L695 HydrophobicContact CG1-CD2 3.99Å; V334-L695 HydrophobicContact CG1-CG 4.31Å; V334-L696 HydrophobicContact CG1-CB 4.37Å; V334-L696 HydrophobicContact CG2-CD1 4.23Å; V334-L699 HydrophobicContact CG2-CD1 3.53Å
335Q93.5Very high90Very high97 Ų9750.4 Ų50.445%0.45325%0.253SS..Hα-helixtrans-63.5-36.7174.7-76177.4-13.900112.5L331 K339L331-Q335 HydrophobicContact CD2-CG 4.5Å; L331-Q335 WeakPolarHBondContact O-CB 3.33Å; L331-Q335 VanDerWaalsContact O-CG 3.23Å; L331-Q335 WeakPolarHBondContact O-CG 3.3Å; L331-Q335 PolarHBondContact O-N 3.35Å; Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 PolarHBondContact O-N 2.94Å
336S92.7Very high90.8Very high57 Ų5750.4 Ų50.440%0.39926%0.257SS..Hα-helixtrans-63.5-48173-1680000110.6L332 T333 V334 E338 K339 D340L332-S336 WeakPolarHBondContact O-CB 3.4Å; L332-S336 PolarHBondContact O-N 3.45Å; T333-S336 WeakPolarHBondContact O-CB 3.42Å; T333-S336 PolarHBondContact O-N 3.45Å; V334-S336 VanDerWaalsContact C-N 3.32Å; V334-S336 PolarHBondContact O-N 2.93Å; S336-E338 PolarHBondContact O-N 3.44Å; S336-K339 PolarHBondContact O-N 3Å; S336-D340 VanDerWaalsContact O-CB 3.26Å; S336-D340 WeakPolarHBondContact O-CB 3.4Å; S336-D340 PolarHBondContact O-N 2.98Å; S336-D340 VanDerWaalsContact O-OD2 3.09Å; S336-D340 PolarHBondContact OG-OD2 3.45Å
337F95.8Very high90.8Very high3 Ų351.3 Ų51.31%0.01327%0.272CS..Hα-helixtrans-58.4-45.5177.4172.9-106.6000112.4T333 V334 D340 F341 V440 C443 T444 M447 T457 V461 L691 L695T333-F337 PolarHBondContact O-N 3.4Å; V334-F337 PolarHBondContact O-N 2.87Å; F337-D340 PolarHBondContact O-N 3.03Å; F337-F341 WeakPolarHBondContact O-CB 3.14Å; F337-F341 PolarHBondContact O-N 3.04Å; F337-V440 HydrophobicContact CZ-CG1 4.28Å; F337-C443 HydrophobicContact CD2-CB 3.63Å; F337-C443 HydrophobicContact CE2-CB 3.44Å; F337-C443 VanDerWaalsContact CE2-CB 3.44Å; F337-T444 HydrophobicContact CD2-CG2 3.97Å; F337-T444 HydrophobicContact CE2-CG2 3.39Å; F337-T444 HydrophobicContact CZ-CG2 3.93Å; F337-M447 HydrophobicContact CB-SD 4.06Å; F337-M447 HydrophobicContact CD2-SD 4.19Å; F337-M447 HydrophobicContact CG-SD 4.22Å; F337-T457 HydrophobicContact CD1-CG2 3.85Å; F337-T457 HydrophobicContact CE1-CG2 3.68Å; F337-T457 HydrophobicContact CE2-CG2 4.49Å; F337-T457 HydrophobicContact CG-CG2 4.32Å; F337-T457 HydrophobicContact CZ-CG2 4.04Å; F337-V461 HydrophobicContact CE1-CG2 4.02Å; F337-V461 HydrophobicContact CZ-CG2 4.26Å; F337-L691 HydrophobicContact CD1-CD2 4.37Å; F337-L691 HydrophobicContact CE1-CD1 4.32Å; F337-L691 HydrophobicContact CE1-CD2 3.59Å; F337-L691 HydrophobicContact CZ-CD2 4.43Å; F337-L695 HydrophobicContact CD1-CD2 3.71Å; F337-L695 HydrophobicContact CE1-CD2 3.78Å
338E95.5Very high89.9Confident41 Ų4151.8 Ų51.819%0.19229%0.288CS..Hα-helixtrans-55.8-52.5173.9-179.6-162.9160.900110.9V334 S336 D340 F341 H342 L691 K692V334-E338 PolarHBondContact O-N 3.27Å; S336-E338 PolarHBondContact O-N 3.44Å; E338-D340 VanDerWaalsContact C-N 3.28Å; E338-D340 PolarHBondContact O-N 3.18Å; E338-F341 PolarHBondContact O-N 3.26Å; E338-H342 PolarHBondContact O-CD2 3.34Å; E338-H342 PolarHBondContact O-N 3.43Å; E338-L691 HydrophobicContact CG-CB 4.33Å; E338-K692 WeakPolarHBondContact OE1-CB 3.45Å; E338-K692 WeakPolarHBondContact OE1-CG 3.19Å
339K93.1Very high88.9Confident156 Ų15646.2 Ų46.268%0.67827%0.27SS*.Hα-helixtrans-59.5-41.3-179.8-178.2-177.8176.4-176.30111.8Q335 S336 H342 H343Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 PolarHBondContact O-N 2.94Å; S336-K339 PolarHBondContact O-N 3Å; K339-H342 PolarHBondContact O-N 3.12Å; K339-H343 VanDerWaalsContact O-CB 3.32Å; K339-H343 WeakPolarHBondContact O-CB 3.15Å; K339-H343 PolarHBondContact O-N 3.09Å
340D92.6Very high87.9Confident17 Ų1752 Ų529%0.09131%0.31CS..Hα-helixtrans-66.6-42.3-179.4-73.5-30.7000112.2S336 F337 E338 H343 A344 C443 R446S336-D340 VanDerWaalsContact O-CB 3.26Å; S336-D340 WeakPolarHBondContact O-CB 3.4Å; S336-D340 PolarHBondContact O-N 2.98Å; S336-D340 VanDerWaalsContact O-OD2 3.09Å; S336-D340 PolarHBondContact OG-OD2 3.45Å; F337-D340 PolarHBondContact O-N 3.03Å; E338-D340 VanDerWaalsContact C-N 3.28Å; E338-D340 PolarHBondContact O-N 3.18Å; D340-H343 PolarHBondContact O-N 3.31Å; D340-A344 WeakPolarHBondContact O-CB 3.31Å; D340-A344 PolarHBondContact O-N 3.26Å; D340-C443 HydrophobicContact CB-CB 4.46Å; D340-R446 IonicContact OD1-CZ 3.66Å; D340-R446 IonicContact OD1-NH1 2.82Å; D340-R446 PolarHBondContact OD1-NH1 2.99Å; D340-R446 IonicContact OD1-NH2 3.96Å; D340-R446 PolarHBondContact OD1-NH2 3.2Å; D340-R446 IonicContact OD2-CZ 3.62Å; D340-R446 IonicContact OD2-NE 3.86Å; D340-R446 IonicContact OD2-NH1 3.21Å; D340-R446 PolarHBondContact OD2-NH1 3.48Å; D340-R446 IonicContact OD2-NH2 3.12Å; D340-R446 PolarHBondContact OD2-NH2 2.81Å
341F95.4Very high86.7Confident0 Ų060 Ų600%035%0.347CS..Hα-helixtrans-63.8-46.4174.2-176.9-88.4000111.3F337 E338 H343 A344 I345 L436 I439 V440 I687 K688 L691F337-F341 WeakPolarHBondContact O-CB 3.14Å; F337-F341 PolarHBondContact O-N 3.04Å; E338-F341 PolarHBondContact O-N 3.26Å; F341-H343 VanDerWaalsContact C-N 3.3Å; F341-H343 PolarHBondContact O-N 3.21Å; F341-A344 PolarHBondContact O-N 3.44Å; F341-I345 HydrophobicContact CD1-CG1 4.19Å; F341-I345 HydrophobicContact CE1-CD1 4.45Å; F341-I345 HydrophobicContact CE1-CG1 3.77Å; F341-I345 HydrophobicContact CZ-CD1 4.23Å; F341-I345 HydrophobicContact CZ-CG1 4.01Å; F341-I345 WeakPolarHBondContact O-CG1 3.44Å; F341-I345 PolarHBondContact O-N 3.47Å; F341-I345 VanDerWaalsContact O-N 3.1Å; F341-L436 HydrophobicContact CZ-CD2 3.99Å; F341-I439 HydrophobicContact CD2-CG2 3.69Å; F341-I439 HydrophobicContact CE2-CB 4.4Å; F341-I439 HydrophobicContact CE2-CG2 3.83Å; F341-V440 HydrophobicContact CD2-CG2 4.18Å; F341-V440 HydrophobicContact CE2-CG2 3.84Å; F341-I687 HydrophobicContact CE1-CB 4.49Å; F341-I687 HydrophobicContact CE1-CG2 3.77Å; F341-I687 HydrophobicContact CE2-CG2 4.22Å; F341-I687 HydrophobicContact CZ-CB 4.36Å; F341-I687 HydrophobicContact CZ-CG2 3.53Å; F341-K688 HydrophobicContact CD1-CG 4.35Å; F341-K688 HydrophobicContact CE1-CG 4.05Å; F341-L691 HydrophobicContact CB-CD1 3.67Å; F341-L691 HydrophobicContact CD1-CD1 3.39Å; F341-L691 HydrophobicContact CD2-CD1 4.03Å; F341-L691 HydrophobicContact CE1-CD1 4Å; F341-L691 HydrophobicContact CG-CD1 3.4Å; F341-L691 VanDerWaalsContact CG-CD1 3.4Å
342H93.6Very high85.9Confident51 Ų5163.8 Ų63.824%0.23637%0.366CS..Hα-helixtrans-55.9-46.6175.2-94.2-90.6000111.8E338 K339 A344 I345 D346E338-H342 PolarHBondContact O-CD2 3.34Å; E338-H342 PolarHBondContact O-N 3.43Å; K339-H342 PolarHBondContact O-N 3.12Å; H342-A344 PolarHBondContact O-N 3.06Å; H342-I345 PolarHBondContact O-N 3.49Å; H342-D346 IonicContact ND1-OD2 2.78Å; H342-D346 WeakPolarHBondContact O-CB 3.46Å; H342-D346 PolarHBondContact O-N 3.42Å
343H91.1Very high85.1Confident78 Ų7863.8 Ų63.836%0.36137%0.367SS..Hα-helixtrans-60.8-43.5177.3175.9-85.1000112.6K339 D340 F341 I345 G347 G349K339-H343 VanDerWaalsContact O-CB 3.32Å; K339-H343 WeakPolarHBondContact O-CB 3.15Å; K339-H343 PolarHBondContact O-N 3.09Å; D340-H343 PolarHBondContact O-N 3.31Å; F341-H343 VanDerWaalsContact C-N 3.3Å; F341-H343 PolarHBondContact O-N 3.21Å; H343-I345 VanDerWaalsContact C-N 3.27Å; H343-I345 PolarHBondContact O-N 3.3Å; H343-G347 WeakPolarHBondContact O-CA 3.36Å; H343-G347 PolarHBondContact O-N 3.26Å; H343-G349 WeakPolarHBondContact CD2-CA 3.36Å; H343-G349 PolarHBondContact CD2-N 3.47Å; H343-G349 VanDerWaalsContact CD2-N 3.27Å; H343-G349 WeakPolarHBondContact NE2-CA 3.42Å; H343-G349 PolarHBondContact NE2-N 3.25Å
344A92.5Very high84.5Confident21 Ų2168.8 Ų68.817%0.17440%0.397CS..Hα-helixtrans-63.8-31.5178.900000113D340 F341 H342 G359 G360 I439D340-A344 WeakPolarHBondContact O-CB 3.31Å; D340-A344 PolarHBondContact O-N 3.26Å; F341-A344 PolarHBondContact O-N 3.44Å; H342-A344 PolarHBondContact O-N 3.06Å; A344-G359 PolarHBondContact O-N 3.34Å; A344-G360 PolarHBondContact O-N 3.43Å; A344-I439 HydrophobicContact CB-CG2 3.57Å
345I93.8Very high83.8Confident15 Ų1577.7 Ų77.78%0.07744%0.435CS..Hα-helixtrans-83.7-44.5177-61.8-69.3000112.2F341 H342 H343 G360 I363 L436 I439 V684F341-I345 HydrophobicContact CD1-CG1 4.19Å; F341-I345 HydrophobicContact CE1-CD1 4.45Å; F341-I345 HydrophobicContact CE1-CG1 3.77Å; F341-I345 HydrophobicContact CZ-CD1 4.23Å; F341-I345 HydrophobicContact CZ-CG1 4.01Å; F341-I345 WeakPolarHBondContact O-CG1 3.44Å; F341-I345 PolarHBondContact O-N 3.47Å; F341-I345 VanDerWaalsContact O-N 3.1Å; H342-I345 PolarHBondContact O-N 3.49Å; H343-I345 VanDerWaalsContact C-N 3.27Å; H343-I345 PolarHBondContact O-N 3.3Å; I345-G360 VanDerWaalsContact O-CA 3.27Å; I345-G360 WeakPolarHBondContact O-CA 3.49Å; I345-I363 HydrophobicContact CD1-CD1 3.77Å; I345-L436 HydrophobicContact CD1-CD2 3.91Å; I345-I439 HydrophobicContact CD1-CD1 3.53Å; I345-V684 HydrophobicContact CD1-CG1 4.35Å; I345-V684 HydrophobicContact CG2-CG1 3.68Å
346D90.6Very high83.3Confident100 Ų10077.3 Ų77.354%0.53544%0.44SS..Hα-helixtrans-87.5-18-171.7-65.1-32.5000113H342 G348 K688H342-D346 IonicContact ND1-OD2 2.78Å; H342-D346 WeakPolarHBondContact O-CB 3.46Å; H342-D346 PolarHBondContact O-N 3.42Å; D346-G348 VanDerWaalsContact C-N 3.29Å; D346-G348 PolarHBondContact O-N 3.45Å; D346-K688 IonicContact OD1-NZ 2.62Å; D346-K688 PolarHBondContact OD1-NZ 3.3Å; D346-K688 IonicContact OD2-NZ 2.63Å; D346-K688 PolarHBondContact OD2-NZ 2.89Å
347G80.2Confident82.8Confident38 Ų3879.6 Ų79.639%0.39245%0.447SS..  trans73.514.9-179.600000114.8H343 G349H343-G347 WeakPolarHBondContact O-CA 3.36Å; H343-G347 PolarHBondContact O-N 3.26Å; G347-G349 PolarHBondContact O-N 2.93Å
348G65.5Low82.5Confident64 Ų6481.6 Ų81.666%0.6646%0.461SS*.  trans-92.951.2-167.600000116.6D346D346-G348 VanDerWaalsContact C-N 3.29Å; D346-G348 PolarHBondContact O-N 3.45Å
349G62.3Low82.2Confident23 Ų2380 Ų8024%0.23746%0.456CS..  trans-77157-178.900000116.1H343 G347 E351H343-G349 WeakPolarHBondContact CD2-CA 3.36Å; H343-G349 PolarHBondContact CD2-N 3.47Å; H343-G349 VanDerWaalsContact CD2-N 3.27Å; H343-G349 WeakPolarHBondContact NE2-CA 3.42Å; H343-G349 PolarHBondContact NE2-N 3.25Å; G347-G349 PolarHBondContact O-N 2.93Å; G349-E351 PolarHBondContact O-N 3.01Å
350S63.3Low82.2Confident138 Ų13873.3 Ų73.397%0.96543%0.431SS*.SBendtrans-56.7-32.9160.6-43.90000110.8
351E64.3Low82.1Confident170 Ų17074.1 Ų74.179%0.79444%0.44SS*.SBendtrans-121.2130.7176.3-66-178.3173.200109.1G349G349-E351 PolarHBondContact O-N 3.01Å
352I72.4Confident82Confident145 Ų14576.1 Ų76.174%0.74445%0.451SS*.  trans-86.7118175.7-60.5173.5000107.4T354I352-T354 PolarHBondContact O-N 3.17Å
353D73.9Confident82.2Confident94 Ų9473.9 Ų73.950%0.50344%0.441SS..  trans-66.5122172.2-169.4-11.3000109.6K355 T356D353-K355 PolarHBondContact OD1-N 3.42Å; D353-T356 PolarHBondContact OD1-N 2.98Å; D353-T356 PolarHBondContact OD2-OG1 3.3Å
354T79.5Confident82.3Confident131 Ų13174.4 Ų74.480%0.80445%0.446SS*.SBendtrans-99.5-7.6-179.550.10000112.9I352I352-T354 PolarHBondContact O-N 3.17Å
355K78Confident82.4Confident193 Ų19375.9 Ų75.984%0.83945%0.447SS*.SBendtrans-103.2-37.6-175.7-64.9-178-179.9177.90112.2D353D353-K355 PolarHBondContact OD1-N 3.42Å
356T82.4Confident82.5Confident88 Ų8876.1 Ų76.154%0.5445%0.448SS..SBendtrans-122.9148.6-175.779.10000112D353D353-T356 PolarHBondContact OD1-N 2.98Å; D353-T356 PolarHBondContact OD2-OG1 3.3Å
357L83.7Confident82.8Confident105 Ų10571.9 Ų71.955%0.5543%0.425SS..  trans-77.3134174.3-70.4173.2000109.1A361 L362L357-A361 HydrophobicContact CB-CB 4.23Å; L357-A361 HydrophobicContact CD2-CB 4.11Å; L357-L362 HydrophobicContact CB-CD2 3.96Å; L357-L362 HydrophobicContact CB-CG 4.05Å; L357-L362 HydrophobicContact CD1-CD2 3.85Å
358S88Confident83.4Confident45 Ų4575.9 Ų75.932%0.31543%0.433SS..  trans-63.4157.3171.767.60000111G360 A361 L362S358-G360 PolarHBondContact O-N 2.97Å; S358-A361 WeakPolarHBondContact O-CB 3.39Å; S358-A361 PolarHBondContact O-N 3.39Å; S358-A361 WeakPolarHBondContact OG-CB 3.16Å; S358-A361 PolarHBondContact OG-N 2.97Å; S358-L362 PolarHBondContact O-N 2.86Å
359G89.1Confident84.6Confident9 Ų975.1 Ų75.19%0.09341%0.413CS..Hα-helixtrans-54.9-39.9176.200000112.8A344 L362 I363A344-G359 PolarHBondContact O-N 3.34Å; G359-L362 PolarHBondContact O-N 2.81Å; G359-I363 WeakPolarHBondContact O-CG1 3.29Å; G359-I363 PolarHBondContact O-N 3.34Å
360G93.1Very high85.8Confident14 Ų1477 Ų7714%0.14441%0.413CS..Hα-helixtrans-63.8-38.9173.100000114.4A344 I345 S358 L362 I363 N364A344-G360 PolarHBondContact O-N 3.43Å; I345-G360 VanDerWaalsContact O-CA 3.27Å; I345-G360 WeakPolarHBondContact O-CA 3.49Å; S358-G360 PolarHBondContact O-N 2.97Å; G360-L362 VanDerWaalsContact C-N 3.31Å; G360-L362 PolarHBondContact O-N 2.76Å; G360-I363 PolarHBondContact O-N 3.48Å; G360-N364 WeakPolarHBondContact O-CB 3.31Å; G360-N364 PolarHBondContact O-N 2.91Å
361A91.8Very high87.3Confident34 Ų3470.6 Ų70.628%0.28137%0.367SS..Hα-helixtrans-65.3-36.6175.400000111.6L357 S358 N364 R365L357-A361 HydrophobicContact CB-CB 4.23Å; L357-A361 HydrophobicContact CD2-CB 4.11Å; S358-A361 WeakPolarHBondContact O-CB 3.39Å; S358-A361 PolarHBondContact O-N 3.39Å; S358-A361 WeakPolarHBondContact OG-CB 3.16Å; S358-A361 PolarHBondContact OG-N 2.97Å; A361-N364 PolarHBondContact O-N 3.28Å; A361-R365 PolarHBondContact O-N 3.31Å
362L93.9Very high88.5Confident42 Ų4263.9 Ų63.922%0.2234%0.338CS..Hα-helixtrans-66.6-42.4173.8-66172.4000112L357 S358 G359 G360 N364 R365 I366 Q435L357-L362 HydrophobicContact CB-CD2 3.96Å; L357-L362 HydrophobicContact CB-CG 4.05Å; L357-L362 HydrophobicContact CD1-CD2 3.85Å; S358-L362 PolarHBondContact O-N 2.86Å; G359-L362 PolarHBondContact O-N 2.81Å; G360-L362 VanDerWaalsContact C-N 3.31Å; G360-L362 PolarHBondContact O-N 2.76Å; L362-N364 VanDerWaalsContact C-N 3.32Å; L362-N364 PolarHBondContact O-N 3.48Å; L362-R365 WeakPolarHBondContact O-CB 3.3Å; L362-R365 PolarHBondContact O-N 3.19Å; L362-I366 WeakPolarHBondContact O-CG1 3.32Å; L362-I366 PolarHBondContact O-N 2.86Å; L362-Q435 HydrophobicContact CB-CG 4.1Å
363I96.4Very high89.2Confident5 Ų558 Ų583%0.02631%0.307CS..Hα-helixtrans-59.3-44.6172.3-67.9171.4000110.8I345 G359 G360 R365 I366 F367 V432 Q435 L436 I439 M680 V684I345-I363 HydrophobicContact CD1-CD1 3.77Å; G359-I363 WeakPolarHBondContact O-CG1 3.29Å; G359-I363 PolarHBondContact O-N 3.34Å; G360-I363 PolarHBondContact O-N 3.48Å; I363-R365 VanDerWaalsContact C-N 3.3Å; I363-R365 PolarHBondContact O-N 3.28Å; I363-I366 WeakPolarHBondContact O-CB 3.42Å; I363-I366 PolarHBondContact O-N 3.45Å; I363-I366 VanDerWaalsContact O-N 3.11Å; I363-F367 HydrophobicContact CG2-CD2 4.04Å; I363-F367 HydrophobicContact CG2-CE2 3.41Å; I363-F367 VanDerWaalsContact CG2-CE2 3.41Å; I363-F367 HydrophobicContact CG2-CZ 3.71Å; I363-F367 PolarHBondContact O-N 3.18Å; I363-F367 VanDerWaalsContact O-N 3.12Å; I363-V432 HydrophobicContact CG2-CG2 4.48Å; I363-Q435 HydrophobicContact CD1-CG 4.38Å; I363-Q435 HydrophobicContact CG1-CB 4.19Å; I363-Q435 HydrophobicContact CG1-CG 3.7Å; I363-L436 HydrophobicContact CD1-CD2 4.06Å; I363-L436 HydrophobicContact CD1-CG 4.36Å; I363-I439 HydrophobicContact CD1-CD1 4.42Å; I363-M680 HydrophobicContact CG2-SD 4.43Å; I363-V684 HydrophobicContact CD1-CG2 4.35Å
364N94Very high89.9Confident89 Ų8954.4 Ų54.448%0.47629%0.287SS..Hα-helixtrans-59.9-41.6177.8-168.9-26.9000111.7G360 A361 L362 I366 F367 H368G360-N364 WeakPolarHBondContact O-CB 3.31Å; G360-N364 PolarHBondContact O-N 2.91Å; A361-N364 PolarHBondContact O-N 3.28Å; L362-N364 VanDerWaalsContact C-N 3.32Å; L362-N364 PolarHBondContact O-N 3.48Å; N364-I366 VanDerWaalsContact C-N 3.34Å; N364-I366 PolarHBondContact O-N 2.97Å; N364-F367 PolarHBondContact O-N 3.36Å; N364-H368 PolarHBondContact O-N 3.19Å; N364-H368 PolarHBondContact O-ND1 3.11Å; N364-H368 PolarHBondContact OD1-CE1 3.05Å; N364-H368 PolarHBondContact OD1-ND1 3.02Å
365R93.9Very high90.3Very high52 Ų5248.2 Ų48.220%0.19625%0.249CC..Hα-helixtrans-62.8-38.3174.5-173.8176.3171.1-149.8-15.5112.6A361 L362 I363 F367 E369 R370 E610A361-R365 PolarHBondContact O-N 3.31Å; L362-R365 WeakPolarHBondContact O-CB 3.3Å; L362-R365 PolarHBondContact O-N 3.19Å; I363-R365 VanDerWaalsContact C-N 3.3Å; I363-R365 PolarHBondContact O-N 3.28Å; R365-F367 VanDerWaalsContact C-N 3.3Å; R365-F367 PolarHBondContact O-N 3.17Å; R365-E369 HydrophobicContact CG-CB 4.17Å; R365-E369 HydrophobicContact CG-CG 4.07Å; R365-E369 WeakPolarHBondContact CG-OE2 3.47Å; R365-E369 IonicContact NE-OE2 2.74Å; R365-E369 PolarHBondContact NE-OE2 3.45Å; R365-E369 VanDerWaalsContact NE-OE2 3.13Å; R365-E369 WeakPolarHBondContact O-CA 3.13Å; R365-E369 VanDerWaalsContact O-CB 3.31Å; R365-E369 WeakPolarHBondContact O-CB 3.42Å; R365-E369 PolarHBondContact O-N 3.06Å; R365-R370 PolarHBondContact O-N 3.35Å; R365-R370 VanDerWaalsContact O-N 3.15Å; R365-E610 IonicContact NH1-OE2 2.95Å; R365-E610 PolarHBondContact NH1-OE2 2.97Å; R365-E610 PolarHBondContact NH2-O 3.38Å
366I95.4Very high90.4Very high19 Ų1941.7 Ų41.710%0.09722%0.223CC..Iπ-helixtrans-59.1-45.7174.2-68.1161.8000110L362 I363 N364 R370 L371 L431 V432 Q435L362-I366 WeakPolarHBondContact O-CG1 3.32Å; L362-I366 PolarHBondContact O-N 2.86Å; I363-I366 WeakPolarHBondContact O-CB 3.42Å; I363-I366 PolarHBondContact O-N 3.45Å; I363-I366 VanDerWaalsContact O-N 3.11Å; N364-I366 VanDerWaalsContact C-N 3.34Å; N364-I366 PolarHBondContact O-N 2.97Å; I366-R370 WeakPolarHBondContact O-CB 3.36Å; I366-R370 PolarHBondContact O-N 2.93Å; I366-L371 PolarHBondContact O-N 2.88Å; I366-L431 HydrophobicContact CD1-CB 3.87Å; I366-L431 HydrophobicContact CG1-CB 4.21Å; I366-L431 HydrophobicContact CG2-CB 3.93Å; I366-L431 HydrophobicContact CG2-CD1 4.25Å; I366-V432 HydrophobicContact CD1-CG2 4.47Å; I366-V432 HydrophobicContact CG2-CG2 4.03Å; I366-Q435 HydrophobicContact CD1-CB 4.28Å
367F96.9Very high90.2Very high12 Ų1242.8 Ų42.85%0.05322%0.221CC..Iπ-helixtrans-69.5-42.6-178.7-63.3-31.2000114.5I363 N364 R365 P372 V432 P676 L679 M680I363-F367 HydrophobicContact CG2-CD2 4.04Å; I363-F367 HydrophobicContact CG2-CE2 3.41Å; I363-F367 VanDerWaalsContact CG2-CE2 3.41Å; I363-F367 HydrophobicContact CG2-CZ 3.71Å; I363-F367 PolarHBondContact O-N 3.18Å; I363-F367 VanDerWaalsContact O-N 3.12Å; N364-F367 PolarHBondContact O-N 3.36Å; R365-F367 VanDerWaalsContact C-N 3.3Å; R365-F367 PolarHBondContact O-N 3.17Å; F367-P372 WeakPolarHBondContact O-CD 3.01Å; F367-V432 HydrophobicContact CD1-CG2 4.41Å; F367-V432 HydrophobicContact CE1-CG2 3.55Å; F367-V432 HydrophobicContact CZ-CG2 3.91Å; F367-P676 HydrophobicContact CB-CB 4.01Å; F367-P676 HydrophobicContact CB-CG 3.96Å; F367-P676 HydrophobicContact CD1-CB 3.79Å; F367-P676 HydrophobicContact CD1-CG 3.95Å; F367-P676 HydrophobicContact CD2-CB 3.93Å; F367-P676 HydrophobicContact CE1-CB 4.17Å; F367-P676 HydrophobicContact CE2-CB 4.3Å; F367-P676 HydrophobicContact CG-CB 3.65Å; F367-P676 HydrophobicContact CG-CG 3.99Å; F367-P676 HydrophobicContact CZ-CB 4.42Å; F367-L679 HydrophobicContact CE1-CB 4.09Å; F367-L679 HydrophobicContact CE1-CD1 3.88Å; F367-L679 HydrophobicContact CZ-CB 4.02Å; F367-M680 HydrophobicContact CE2-CG 3.66Å; F367-M680 HydrophobicContact CE2-SD 3.74Å; F367-M680 HydrophobicContact CZ-CG 4.14Å; F367-M680 HydrophobicContact CZ-SD 4.3Å
368H93.2Very high89.7Confident122 Ų12238.9 Ų38.957%0.56520%0.2SC*.Iπ-helixtrans-102.8-12.7-169.8-63.496.7000114.7N364N364-H368 PolarHBondContact O-N 3.19Å; N364-H368 PolarHBondContact O-ND1 3.11Å; N364-H368 PolarHBondContact OD1-CE1 3.05Å; N364-H368 PolarHBondContact OD1-ND1 3.02Å
369E91Very high88.6Confident48 Ų4842.2 Ų42.222%0.22421%0.211CC..Iπ-helixtrans-114.7-54.5173.5-58.2-174.2-177.700111.1R365 Y373 R521 S614R365-E369 HydrophobicContact CG-CB 4.17Å; R365-E369 HydrophobicContact CG-CG 4.07Å; R365-E369 WeakPolarHBondContact CG-OE2 3.47Å; R365-E369 IonicContact NE-OE2 2.74Å; R365-E369 PolarHBondContact NE-OE2 3.45Å; R365-E369 VanDerWaalsContact NE-OE2 3.13Å; R365-E369 WeakPolarHBondContact O-CA 3.13Å; R365-E369 VanDerWaalsContact O-CB 3.31Å; R365-E369 WeakPolarHBondContact O-CB 3.42Å; R365-E369 PolarHBondContact O-N 3.06Å; E369-Y373 VanDerWaalsContact O-CB 3.22Å; E369-Y373 WeakPolarHBondContact O-CB 3.4Å; E369-Y373 PolarHBondContact O-N 2.78Å; E369-Y373 VanDerWaalsContact O-N 3.12Å; E369-R521 IonicContact OE1-NH1 2.93Å; E369-R521 PolarHBondContact OE1-NH1 3.29Å; E369-S614 WeakPolarHBondContact OE2-CB 3.31Å; E369-S614 PolarHBondContact OE2-OG 2.89Å
370R88.3Confident87.5Confident63 Ų6343.3 Ų43.324%0.23822%0.216CC..Iπ-helixtrans-74-47.5-169-172.552171.9-162.2-9113.1R365 I366 Y373 E374 L431 D613R365-R370 PolarHBondContact O-N 3.35Å; R365-R370 VanDerWaalsContact O-N 3.15Å; I366-R370 WeakPolarHBondContact O-CB 3.36Å; I366-R370 PolarHBondContact O-N 2.93Å; R370-Y373 WeakPolarHBondContact O-CB 3.17Å; R370-Y373 PolarHBondContact O-N 3.48Å; R370-E374 HydrophobicContact CG-CG 4.33Å; R370-E374 IonicContact CZ-OE1 3.48Å; R370-E374 IonicContact NE-OE1 3.59Å; R370-E374 PolarHBondContact NE-OE1 2.96Å; R370-E374 IonicContact NH1-OE1 2.81Å; R370-E374 IonicContact NH2-OE1 3.09Å; R370-E374 PolarHBondContact NH2-OE1 3.32Å; R370-E374 VanDerWaalsContact O-CG 3.31Å; R370-E374 WeakPolarHBondContact O-CG 3.35Å; R370-E374 PolarHBondContact O-N 2.78Å; R370-L431 HydrophobicContact CB-CD1 4.49Å; R370-L431 HydrophobicContact CG-CD1 3.53Å; R370-D613 IonicContact CZ-OD2 3.65Å; R370-D613 IonicContact NH1-OD2 2.61Å; R370-D613 PolarHBondContact NH1-OD2 3.48Å; R370-D613 IonicContact NH2-OD2 4Å
371L93.8Very high86.5Confident2 Ų244.8 Ų44.81%0.0122%0.22CC..Hα-helixtrans-61.3-49.2178.6170.767.7000111.8I366 Y373 E374 M375 C428 L672 V675 P676I366-L371 PolarHBondContact O-N 2.88Å; L371-Y373 VanDerWaalsContact C-N 3.29Å; L371-Y373 PolarHBondContact O-N 2.84Å; L371-E374 PolarHBondContact O-N 2.95Å; L371-M375 HydrophobicContact CD1-CE 3.93Å; L371-M375 WeakPolarHBondContact O-CB 3.41Å; L371-M375 PolarHBondContact O-N 3.28Å; L371-C428 HydrophobicContact CB-CB 4.31Å; L371-C428 HydrophobicContact CD1-CB 3.88Å; L371-C428 HydrophobicContact CG-CB 4.48Å; L371-L672 HydrophobicContact CD1-CD2 4.43Å; L371-L672 HydrophobicContact CD2-CD2 3.97Å; L371-L672 HydrophobicContact CG-CD2 3.65Å; L371-V675 HydrophobicContact CD2-CB 4.16Å; L371-V675 HydrophobicContact CD2-CG1 4.11Å; L371-P676 HydrophobicContact CD2-CG 3.93Å
372P90.9Very high85.8Confident29 Ų2947.6 Ų47.619%0.18823%0.228CC..Hα-helixtrans-56.3-41.2173.3-29.536.1000113.4F367 M375 N376 L672F367-P372 WeakPolarHBondContact O-CD 3.01Å; P372-M375 PolarHBondContact O-N 3.11Å; P372-N376 WeakPolarHBondContact O-CB 3.36Å; P372-N376 PolarHBondContact O-N 3Å; P372-N376 PolarHBondContact O-ND2 2.97Å; P372-L672 HydrophobicContact CB-CD1 4.41Å; P372-L672 HydrophobicContact CB-CD2 4.38Å; P372-L672 HydrophobicContact CG-CD1 4.44Å; P372-L672 HydrophobicContact CG-CD2 4.05Å
373Y86.8Confident85.2Confident21 Ų2152.9 Ų52.98%0.08225%0.251CS..Hα-helixtrans-62.4-46.1176.4173.7-95.1000112.4E369 R370 L371 M375 N376 K377 K616 A617 L620E369-Y373 VanDerWaalsContact O-CB 3.22Å; E369-Y373 WeakPolarHBondContact O-CB 3.4Å; E369-Y373 PolarHBondContact O-N 2.78Å; E369-Y373 VanDerWaalsContact O-N 3.12Å; R370-Y373 WeakPolarHBondContact O-CB 3.17Å; R370-Y373 PolarHBondContact O-N 3.48Å; L371-Y373 VanDerWaalsContact C-N 3.29Å; L371-Y373 PolarHBondContact O-N 2.84Å; Y373-M375 VanDerWaalsContact C-N 3.33Å; Y373-N376 PolarHBondContact O-N 3.22Å; Y373-K377 HydrophobicContact CE1-CD 4.07Å; Y373-K377 VanDerWaalsContact CE1-NZ 3.29Å; Y373-K377 PolarHBondContact O-N 2.86Å; Y373-K377 WeakPolarHBondContact OH-CE 3.46Å; Y373-K377 PolarHBondContact OH-NZ 3.46Å; Y373-K377 VanDerWaalsContact OH-NZ 3.15Å; Y373-K616 HydrophobicContact CE2-CB 4.19Å; Y373-A617 HydrophobicContact CD2-CB 3.96Å; Y373-A617 HydrophobicContact CG-CB 4.28Å; Y373-L620 HydrophobicContact CD2-CD1 3.3Å; Y373-L620 HydrophobicContact CD2-CG 4.28Å; Y373-L620 HydrophobicContact CE2-CD1 3.76Å; Y373-L620 HydrophobicContact CG-CD1 4.24Å
374E87.2Confident84.7Confident20 Ų2058.3 Ų58.39%0.09328%0.276CS..Hα-helixtrans-68.7-32.7177.8-67.3-72162.400112.1R370 L371 K377 P424 K427R370-E374 HydrophobicContact CG-CG 4.33Å; R370-E374 IonicContact CZ-OE1 3.48Å; R370-E374 IonicContact NE-OE1 3.59Å; R370-E374 PolarHBondContact NE-OE1 2.96Å; R370-E374 IonicContact NH1-OE1 2.81Å; R370-E374 IonicContact NH2-OE1 3.09Å; R370-E374 PolarHBondContact NH2-OE1 3.32Å; R370-E374 VanDerWaalsContact O-CG 3.31Å; R370-E374 WeakPolarHBondContact O-CG 3.35Å; R370-E374 PolarHBondContact O-N 2.78Å; L371-E374 PolarHBondContact O-N 2.95Å; E374-K377 WeakPolarHBondContact O-CB 3.49Å; E374-K377 PolarHBondContact O-N 3.08Å; E374-P424 HydrophobicContact CB-CB 3.7Å; E374-K427 HydrophobicContact CG-CD 4.33Å; E374-K427 IonicContact OE1-NZ 2.9Å; E374-K427 PolarHBondContact OE1-NZ 3.24Å; E374-K427 IonicContact OE2-NZ 2.93Å; E374-K427 PolarHBondContact OE2-NZ 3.28Å
375M88.5Confident84.4Confident0 Ų054.9 Ų54.90%026%0.258CS..Hα-helixtrans-70.6-42.5176-158.465.573.500111.5L371 P372 Y373 K377 I378 M421 P424 I668 Q671 L672L371-M375 HydrophobicContact CD1-CE 3.93Å; L371-M375 WeakPolarHBondContact O-CB 3.41Å; L371-M375 PolarHBondContact O-N 3.28Å; P372-M375 PolarHBondContact O-N 3.11Å; Y373-M375 VanDerWaalsContact C-N 3.33Å; M375-K377 PolarHBondContact O-N 3.12Å; M375-I378 VanDerWaalsContact O-CB 3.31Å; M375-I378 WeakPolarHBondContact O-CB 3.37Å; M375-I378 PolarHBondContact O-N 2.97Å; M375-I378 HydrophobicContact SD-CD1 3.9Å; M375-M421 HydrophobicContact SD-CB 3.9Å; M375-M421 HydrophobicContact SD-CG 3.68Å; M375-M421 HydrophobicContact SD-SD 4.01Å; M375-P424 HydrophobicContact CE-CG 4.09Å; M375-P424 HydrophobicContact SD-CG 3.76Å; M375-I668 HydrophobicContact CG-CB 4.45Å; M375-I668 HydrophobicContact CG-CG1 4.09Å; M375-I668 HydrophobicContact CG-CG2 3.78Å; M375-Q671 HydrophobicContact CE-CB 4.25Å; M375-L672 HydrophobicContact CB-CD2 4.09Å; M375-L672 HydrophobicContact CE-CD2 4.45Å; M375-L672 HydrophobicContact CG-CD2 4.36Å
376N80.9Confident84.2Confident56 Ų5656.2 Ų56.230%0.29926%0.263SS..Hα-helixtrans-65.5-23.7175.6-71.5-19.4000112.5P372 Y373 I378 E379 L620P372-N376 WeakPolarHBondContact O-CB 3.36Å; P372-N376 PolarHBondContact O-N 3Å; P372-N376 PolarHBondContact O-ND2 2.97Å; Y373-N376 PolarHBondContact O-N 3.22Å; N376-I378 PolarHBondContact O-N 3.44Å; N376-E379 WeakPolarHBondContact O-CB 3.31Å; N376-E379 PolarHBondContact O-N 3.41Å; N376-L620 HydrophobicContact CB-CD1 4.26Å
377K76.6Confident84Confident111 Ų11161.1 Ų61.148%0.48328%0.284SS..THydrogen-bonded Turntrans-66.1-16.7171.9-82.1-176.5172.11760114Y373 E374 M375 E379Y373-K377 HydrophobicContact CE1-CD 4.07Å; Y373-K377 VanDerWaalsContact CE1-NZ 3.29Å; Y373-K377 PolarHBondContact O-N 2.86Å; Y373-K377 WeakPolarHBondContact OH-CE 3.46Å; Y373-K377 PolarHBondContact OH-NZ 3.46Å; Y373-K377 VanDerWaalsContact OH-NZ 3.15Å; E374-K377 WeakPolarHBondContact O-CB 3.49Å; E374-K377 PolarHBondContact O-N 3.08Å; M375-K377 PolarHBondContact O-N 3.12Å; K377-E379 PolarHBondContact O-N 3.27Å
378I73Confident83.7Confident24 Ų2462.3 Ų62.312%0.12329%0.289CS..THydrogen-bonded Turntrans-70.4-21.2172.5-64.4175000110.9M375 N376 T380 K420 M421 P424M375-I378 VanDerWaalsContact O-CB 3.31Å; M375-I378 WeakPolarHBondContact O-CB 3.37Å; M375-I378 PolarHBondContact O-N 2.97Å; M375-I378 HydrophobicContact SD-CD1 3.9Å; N376-I378 PolarHBondContact O-N 3.44Å; I378-T380 PolarHBondContact O-N 3.24Å; I378-K420 HydrophobicContact CD1-CB 4.23Å; I378-K420 WeakPolarHBondContact CD1-O 3.4Å; I378-K420 HydrophobicContact CG1-CB 4.49Å; I378-K420 HydrophobicContact CG2-CB 3.92Å; I378-K420 HydrophobicContact CG2-CD 4.11Å; I378-M421 HydrophobicContact CD1-CB 4.18Å; I378-M421 HydrophobicContact CD1-CG 3.81Å; I378-P424 HydrophobicContact CD1-CG 3.49Å; I378-P424 VanDerWaalsContact CD1-CG 3.49Å; I378-P424 HydrophobicContact CG1-CG 4.32Å
379E65.3Low83.6Confident115 Ų11556.5 Ų56.554%0.53726%0.262SS..  trans-51.7108.3177-164.2169.8-170.300108.9N376 K377 Y625N376-E379 WeakPolarHBondContact O-CB 3.31Å; N376-E379 PolarHBondContact O-N 3.41Å; K377-E379 PolarHBondContact O-N 3.27Å; E379-Y625 WeakPolarHBondContact OE2-CE1 3.41Å
380T65.6Low83.5Confident31 Ų3155.3 Ų55.319%0.1926%0.26CS..  trans-75.6155-168.419.10000109I378 E382 Q417I378-T380 PolarHBondContact O-N 3.24Å; T380-E382 PolarHBondContact O-N 3.29Å; T380-Q417 PolarHBondContact OG1-NE2 2.91Å
381D72Confident83.5Confident46 Ų4657.8 Ų57.825%0.24627%0.27CS..  trans-52.2116.6168.6-179.9-26.5000108.6E383 E384 L385 K628D381-E383 PolarHBondContact O-N 3.05Å; D381-E383 VanDerWaalsContact O-N 3.14Å; D381-E383 WeakPolarHBondContact OD1-CA 3.44Å; D381-E383 VanDerWaalsContact OD1-CB 3.29Å; D381-E383 WeakPolarHBondContact OD1-CB 3.29Å; D381-E383 PolarHBondContact OD1-N 3.37Å; D381-E384 HydrophobicContact CB-CB 3.7Å; D381-E384 CarbonylContact O-C 3.53Å; D381-E384 WeakPolarHBondContact O-CA 3.46Å; D381-E384 WeakPolarHBondContact O-CB 3.27Å; D381-E384 PolarHBondContact O-N 3.49Å; D381-E384 PolarHBondContact OD1-N 3.5Å; D381-L385 PolarHBondContact O-N 3.1Å; D381-K628 HydrophobicContact CB-CD 4.48Å; D381-K628 VanDerWaalsContact CG-CE 3.48Å; D381-K628 IonicContact OD1-NZ 3.67Å; D381-K628 PolarHBondContact OD1-NZ 2.91Å; D381-K628 VanDerWaalsContact OD2-CD 3.24Å; D381-K628 WeakPolarHBondContact OD2-CD 3.39Å; D381-K628 VanDerWaalsContact OD2-CE 3.3Å; D381-K628 WeakPolarHBondContact OD2-CE 3.33Å; D381-K628 IonicContact OD2-NZ 3.53Å; D381-K628 PolarHBondContact OD2-NZ 2.6Å
382E79Confident83.3Confident93 Ų9358.3 Ų58.344%0.43528%0.275SS..Hα-helixtrans-51.5-37.2179.4-79-143.9135.200113.3T380 R386 R657T380-E382 PolarHBondContact O-N 3.29Å; E382-R386 VanDerWaalsContact O-CB 3.28Å; E382-R386 WeakPolarHBondContact O-CB 3.44Å; E382-R386 VanDerWaalsContact O-CD 3.29Å; E382-R386 WeakPolarHBondContact O-CD 3.28Å; E382-R386 WeakPolarHBondContact O-CG 3.37Å; E382-R386 PolarHBondContact O-N 3.09Å; E382-R386 IonicContact OE2-NH2 3.54Å; E382-R657 IonicContact OE1-CZ 2.64Å; E382-R657 IonicContact OE1-NE 3.58Å; E382-R657 IonicContact OE1-NH1 3.16Å; E382-R657 PolarHBondContact OE1-NH1 2.76Å
383E80.3Confident83Confident153 Ų15357 Ų5772%0.71527%0.266SS*.Hα-helixtrans-69.3-40.9177.9-168.2-177.2162.600110.8D381 R386 K387D381-E383 PolarHBondContact O-N 3.05Å; D381-E383 VanDerWaalsContact O-N 3.14Å; D381-E383 WeakPolarHBondContact OD1-CA 3.44Å; D381-E383 VanDerWaalsContact OD1-CB 3.29Å; D381-E383 WeakPolarHBondContact OD1-CB 3.29Å; D381-E383 PolarHBondContact OD1-N 3.37Å; E383-R386 PolarHBondContact O-N 2.88Å; E383-K387 WeakPolarHBondContact O-CB 3.43Å; E383-K387 PolarHBondContact O-N 3.28Å
384E85.9Confident82.9Confident118 Ų11860.4 Ų60.455%0.55128%0.279SS*.Hα-helixtrans-67.1-41174.9-166.3-179.7-171.700111.6D381 K387 E388D381-E384 HydrophobicContact CB-CB 3.7Å; D381-E384 CarbonylContact O-C 3.53Å; D381-E384 WeakPolarHBondContact O-CA 3.46Å; D381-E384 WeakPolarHBondContact O-CB 3.27Å; D381-E384 PolarHBondContact O-N 3.49Å; D381-E384 PolarHBondContact OD1-N 3.5Å; E384-K387 WeakPolarHBondContact O-CB 3.46Å; E384-K387 PolarHBondContact O-N 3.4Å; E384-E388 VanDerWaalsContact O-CB 3.29Å; E384-E388 WeakPolarHBondContact O-CB 3.48Å; E384-E388 PolarHBondContact O-N 2.64Å
385L88.4Confident82.8Confident17 Ų1765.4 Ų65.49%0.08931%0.306CS..Hα-helixtrans-63.7-46.5175.8-179.163.2000110.6D381 K387 E388 I389 I413 R657D381-L385 PolarHBondContact O-N 3.1Å; L385-K387 VanDerWaalsContact C-N 3.32Å; L385-K387 PolarHBondContact O-N 3.32Å; L385-E388 PolarHBondContact O-N 2.92Å; L385-I389 HydrophobicContact CD1-CD1 4.21Å; L385-I389 HydrophobicContact CD1-CG1 4.41Å; L385-I389 HydrophobicContact CG-CD1 3.9Å; L385-I389 WeakPolarHBondContact O-CB 3.34Å; L385-I389 WeakPolarHBondContact O-CD1 3.42Å; L385-I389 WeakPolarHBondContact O-CG1 3.23Å; L385-I389 PolarHBondContact O-N 2.86Å; L385-I413 HydrophobicContact CD1-CG2 3.67Å; L385-R657 HydrophobicContact CD2-CG 4.16Å
386R89.7Confident82.6Confident81 Ų8167.8 Ų67.831%0.30632%0.318SS..Hα-helixtrans-59.8-43174.6-73.2163.5-174.6-84.9-7.3111.2E382 E383 I389 S390 V653 E654E382-R386 VanDerWaalsContact O-CB 3.28Å; E382-R386 WeakPolarHBondContact O-CB 3.44Å; E382-R386 VanDerWaalsContact O-CD 3.29Å; E382-R386 WeakPolarHBondContact O-CD 3.28Å; E382-R386 WeakPolarHBondContact O-CG 3.37Å; E382-R386 PolarHBondContact O-N 3.09Å; E382-R386 IonicContact OE2-NH2 3.54Å; E383-R386 PolarHBondContact O-N 2.88Å; R386-I389 PolarHBondContact O-N 2.85Å; R386-S390 WeakPolarHBondContact O-CB 3.41Å; R386-S390 PolarHBondContact O-N 2.96Å; R386-V653 HydrophobicContact CB-CG1 3.9Å; R386-V653 HydrophobicContact CG-CG1 4.03Å; R386-E654 IonicContact CZ-OE2 2.63Å; R386-E654 IonicContact NH1-OE2 3.05Å; R386-E654 PolarHBondContact NH1-OE2 2.98Å; R386-E654 IonicContact NH2-OE1 3.04Å; R386-E654 IonicContact NH2-OE2 3.39Å; R386-E654 PolarHBondContact NH2-OE2 2.92Å
387K90.4Very high82.5Confident121 Ų12166.7 Ų66.753%0.52631%0.311SS..Hα-helixtrans-63.3-42.5175.5-173.8179.2-172.6177.40111.5E383 E384 L385 S390 Y391E383-K387 WeakPolarHBondContact O-CB 3.43Å; E383-K387 PolarHBondContact O-N 3.28Å; E384-K387 WeakPolarHBondContact O-CB 3.46Å; E384-K387 PolarHBondContact O-N 3.4Å; L385-K387 VanDerWaalsContact C-N 3.32Å; L385-K387 PolarHBondContact O-N 3.32Å; K387-S390 WeakPolarHBondContact O-CB 3.2Å; K387-S390 PolarHBondContact O-N 3.44Å; K387-Y391 HydrophobicContact CD-CE2 4.11Å; K387-Y391 HydrophobicContact CG-CD2 3.97Å; K387-Y391 HydrophobicContact CG-CE2 3.6Å; K387-Y391 WeakPolarHBondContact O-CD2 3.42Å; K387-Y391 PolarHBondContact O-N 3.08Å
388E90.2Very high82.6Confident37 Ų3764.1 Ų64.117%0.17332%0.316CS..Hα-helixtrans-65.2-45.4178.2-162.5-175.6161.800111.6E384 L385 S390 Y391 A392 I413 K416E384-E388 VanDerWaalsContact O-CB 3.29Å; E384-E388 WeakPolarHBondContact O-CB 3.48Å; E384-E388 PolarHBondContact O-N 2.64Å; L385-E388 PolarHBondContact O-N 2.92Å; E388-S390 VanDerWaalsContact C-N 3.31Å; E388-S390 PolarHBondContact O-N 2.85Å; E388-Y391 PolarHBondContact O-N 3.18Å; E388-A392 WeakPolarHBondContact O-CB 3.4Å; E388-A392 PolarHBondContact O-N 3.37Å; E388-I413 HydrophobicContact CB-CD1 4.1Å; E388-I413 HydrophobicContact CG-CD1 3.57Å; E388-K416 WeakPolarHBondContact OE1-CD 3.24Å; E388-K416 WeakPolarHBondContact OE1-CE 3.33Å; E388-K416 IonicContact OE1-NZ 3.22Å; E388-K416 PolarHBondContact OE1-NZ 3.29Å; E388-K416 IonicContact OE2-NZ 3.72Å; E388-K416 PolarHBondContact OE2-NZ 3.46Å
389I90.5Very high82.9Confident0 Ų071.6 Ų71.60%036%0.355CS..Hα-helixtrans-59.4-44.9173.5-66.9163000109.9L385 R386 Y391 A392 I393 I413 V653 I656 R657L385-I389 HydrophobicContact CD1-CD1 4.21Å; L385-I389 HydrophobicContact CD1-CG1 4.41Å; L385-I389 HydrophobicContact CG-CD1 3.9Å; L385-I389 WeakPolarHBondContact O-CB 3.34Å; L385-I389 WeakPolarHBondContact O-CD1 3.42Å; L385-I389 WeakPolarHBondContact O-CG1 3.23Å; L385-I389 PolarHBondContact O-N 2.86Å; R386-I389 PolarHBondContact O-N 2.85Å; I389-Y391 PolarHBondContact O-N 2.87Å; I389-A392 PolarHBondContact O-N 3.45Å; I389-I393 HydrophobicContact CG2-CD1 3.74Å; I389-I393 HydrophobicContact CG2-CG1 4.25Å; I389-I393 VanDerWaalsContact O-CG1 3.24Å; I389-I393 WeakPolarHBondContact O-CG1 3.14Å; I389-I393 PolarHBondContact O-N 3.47Å; I389-I413 HydrophobicContact CG1-CD1 4.25Å; I389-I413 HydrophobicContact CG1-CG1 3.93Å; I389-I413 HydrophobicContact CG1-CG2 4.15Å; I389-V653 HydrophobicContact CB-CG1 4.25Å; I389-V653 HydrophobicContact CG2-CB 4.17Å; I389-V653 HydrophobicContact CG2-CG1 4.12Å; I389-V653 HydrophobicContact CG2-CG2 4.03Å; I389-I656 HydrophobicContact CD1-CG2 4.09Å; I389-I656 HydrophobicContact CG1-CG2 4Å; I389-I656 HydrophobicContact CG2-CB 3.81Å; I389-I656 HydrophobicContact CG2-CD1 4.01Å; I389-I656 HydrophobicContact CG2-CG2 3.72Å; I389-R657 HydrophobicContact CD1-CB 3.89Å; I389-R657 HydrophobicContact CD1-CG 4.44Å
390S88.9Confident83Confident24 Ų2475.9 Ų75.917%0.16837%0.366CS..Hα-helixtrans-58.7-46.1177.4-170.90000112R386 K387 E388 I393 R394R386-S390 WeakPolarHBondContact O-CB 3.41Å; R386-S390 PolarHBondContact O-N 2.96Å; K387-S390 WeakPolarHBondContact O-CB 3.2Å; K387-S390 PolarHBondContact O-N 3.44Å; E388-S390 VanDerWaalsContact C-N 3.31Å; E388-S390 PolarHBondContact O-N 2.85Å; S390-I393 PolarHBondContact O-N 3.04Å; S390-R394 WeakPolarHBondContact O-CB 3.29Å; S390-R394 VanDerWaalsContact O-CG 3.3Å; S390-R394 WeakPolarHBondContact O-CG 3.4Å; S390-R394 PolarHBondContact O-N 3.42Å
391Y89.5Confident82.7Confident114 Ų11480.2 Ų80.245%0.44739%0.392SS..Hα-helixtrans-64.3-41.8174-75.9-57.2000112.4K387 E388 I389 I393 R394 N395K387-Y391 HydrophobicContact CD-CE2 4.11Å; K387-Y391 HydrophobicContact CG-CD2 3.97Å; K387-Y391 HydrophobicContact CG-CE2 3.6Å; K387-Y391 WeakPolarHBondContact O-CD2 3.42Å; K387-Y391 PolarHBondContact O-N 3.08Å; E388-Y391 PolarHBondContact O-N 3.18Å; I389-Y391 PolarHBondContact O-N 2.87Å; Y391-I393 PolarHBondContact O-N 3.04Å; Y391-R394 PolarHBondContact O-N 3.38Å; Y391-N395 WeakPolarHBondContact O-CB 3.33Å; Y391-N395 PolarHBondContact O-N 3.41Å; Y391-N395 PolarHBondContact O-ND2 2.97Å
392A89.3Confident82Confident14 Ų1480 Ų8012%0.11640%0.401CS..Hα-helixtrans-59.3-49.1177.600000110.7E388 I389 R394 N395 I396 A409 I413E388-A392 WeakPolarHBondContact O-CB 3.4Å; E388-A392 PolarHBondContact O-N 3.37Å; I389-A392 PolarHBondContact O-N 3.45Å; A392-R394 PolarHBondContact O-N 3.45Å; A392-N395 PolarHBondContact O-N 3.01Å; A392-I396 WeakPolarHBondContact O-CB 3.43Å; A392-I396 VanDerWaalsContact O-CD1 3.28Å; A392-I396 WeakPolarHBondContact O-CD1 3.25Å; A392-I396 WeakPolarHBondContact O-CG1 3.26Å; A392-I396 PolarHBondContact O-N 3.4Å; A392-A409 HydrophobicContact CB-CB 4.34Å; A392-I413 HydrophobicContact CB-CD1 4.04Å; A392-I413 HydrophobicContact CB-CG1 4.22Å
393I85.1Confident81Confident0 Ų082.4 Ų82.40%042%0.416CS..Hα-helixtrans-56.9-52.8175.8-66.2166.3000110.4I389 S390 Y391 N395 I396 H397 A409 L649 Q652 V653 I656I389-I393 HydrophobicContact CG2-CD1 3.74Å; I389-I393 HydrophobicContact CG2-CG1 4.25Å; I389-I393 VanDerWaalsContact O-CG1 3.24Å; I389-I393 WeakPolarHBondContact O-CG1 3.14Å; I389-I393 PolarHBondContact O-N 3.47Å; S390-I393 PolarHBondContact O-N 3.04Å; Y391-I393 PolarHBondContact O-N 3.04Å; I393-N395 PolarHBondContact O-N 3.18Å; I393-I396 PolarHBondContact O-N 2.92Å; I393-H397 WeakPolarHBondContact CG2-CE1 3.47Å; I393-H397 VanDerWaalsContact CG2-ND1 3.31Å; I393-H397 WeakPolarHBondContact CG2-ND1 3.24Å; I393-H397 PolarHBondContact O-N 3.45Å; I393-H397 PolarHBondContact O-ND1 3.45Å; I393-A409 HydrophobicContact CG1-CB 3.94Å; I393-L649 HydrophobicContact CB-CD1 4.03Å; I393-L649 HydrophobicContact CD1-CD1 3.96Å; I393-L649 HydrophobicContact CG2-CD1 3.56Å; I393-Q652 HydrophobicContact CD1-CB 3.97Å; I393-V653 HydrophobicContact CD1-CG2 3.75Å; I393-I656 HydrophobicContact CD1-CD1 3.67Å; I393-I656 HydrophobicContact CG1-CD1 3.73Å
394R84.8Confident79.8Confident94 Ų9484.2 Ų84.236%0.35542%0.422SS..Hα-helixtrans-60.6-42.3-179.1-72.3176.1-180-169.71.8112.6S390 Y391 A392 H397 G398 L649S390-R394 WeakPolarHBondContact O-CB 3.29Å; S390-R394 VanDerWaalsContact O-CG 3.3Å; S390-R394 WeakPolarHBondContact O-CG 3.4Å; S390-R394 PolarHBondContact O-N 3.42Å; Y391-R394 PolarHBondContact O-N 3.38Å; A392-R394 PolarHBondContact O-N 3.45Å; R394-H397 PolarHBondContact O-N 2.95Å; R394-G398 PolarHBondContact O-N 3.31Å; R394-L649 HydrophobicContact CG-CD2 4.46Å
395N84.9Confident78.7Confident124 Ų12479.3 Ų79.366%0.66340%0.4SS*.Hα-helixtrans-70.4-35.3-179.3-71.1-22.5000112.3Y391 A392 I393 G398Y391-N395 WeakPolarHBondContact O-CB 3.33Å; Y391-N395 PolarHBondContact O-N 3.41Å; Y391-N395 PolarHBondContact O-ND2 2.97Å; A392-N395 PolarHBondContact O-N 3.01Å; I393-N395 PolarHBondContact O-N 3.18Å; N395-G398 PolarHBondContact O-N 2.66Å
396I83.8Confident77.7Confident51 Ų5180.5 Ų80.526%0.26241%0.409SS..Hα-helixtrans-70.5-38.7175.5-65.4158.8000110.9A392 I393 G398 T405 L408 A409A392-I396 WeakPolarHBondContact O-CB 3.43Å; A392-I396 VanDerWaalsContact O-CD1 3.28Å; A392-I396 WeakPolarHBondContact O-CD1 3.25Å; A392-I396 WeakPolarHBondContact O-CG1 3.26Å; A392-I396 PolarHBondContact O-N 3.4Å; I393-I396 PolarHBondContact O-N 2.92Å; I396-G398 VanDerWaalsContact C-N 3.34Å; I396-T405 HydrophobicContact CB-CG2 3.49Å; I396-T405 VanDerWaalsContact CB-CG2 3.49Å; I396-T405 HydrophobicContact CD1-CG2 4.23Å; I396-T405 HydrophobicContact CG1-CG2 4.49Å; I396-T405 HydrophobicContact CG2-CG2 3.25Å; I396-L408 HydrophobicContact CD1-CB 3.93Å; I396-L408 HydrophobicContact CD1-CD2 4.21Å; I396-L408 HydrophobicContact CD1-CG 3.86Å; I396-L408 HydrophobicContact CG1-CD2 3.99Å; I396-L408 HydrophobicContact CG1-CG 4.18Å; I396-L408 HydrophobicContact CG2-CB 4.43Å; I396-L408 HydrophobicContact CG2-CD2 3.85Å; I396-A409 VanDerWaalsContact CD1-CA 3.47Å; I396-A409 HydrophobicContact CD1-CB 3.69Å; I396-A409 VanDerWaalsContact CD1-N 3.29Å
397H79.4Confident77.1Confident33 Ų3381.7 Ų81.715%0.15342%0.421CS..Hα-helixtrans-60.9-44.1172.5-73.9123.1000111.6I393 R394 I399 R400 G402 T405I393-H397 WeakPolarHBondContact CG2-CE1 3.47Å; I393-H397 VanDerWaalsContact CG2-ND1 3.31Å; I393-H397 WeakPolarHBondContact CG2-ND1 3.24Å; I393-H397 PolarHBondContact O-N 3.45Å; I393-H397 PolarHBondContact O-ND1 3.45Å; R394-H397 PolarHBondContact O-N 2.95Å; H397-I399 PolarHBondContact O-N 3.23Å; H397-R400 WeakPolarHBondContact O-CB 3.43Å; H397-R400 PolarHBondContact O-N 2.92Å; H397-G402 WeakPolarHBondContact CD2-CA 3.32Å; H397-G402 WeakPolarHBondContact NE2-CA 3.35Å; H397-T405 PolarHBondContact CD2-OG1 2.68Å; H397-T405 VanDerWaalsContact NE2-CB 3.27Å; H397-T405 WeakPolarHBondContact NE2-CB 3.23Å; H397-T405 PolarHBondContact NE2-OG1 2.89Å
398G78.6Confident76.9Confident57 Ų5780.1 Ų80.159%0.58842%0.418SS*.THydrogen-bonded Turntrans54.7-122.1-178.100000110.9R394 N395 I396R394-G398 PolarHBondContact O-N 3.31Å; N395-G398 PolarHBondContact O-N 2.66Å; I396-G398 VanDerWaalsContact C-N 3.34Å
399I78.2Confident76.8Confident181 Ų18178.3 Ų78.393%0.92841%0.41SS*.THydrogen-bonded Turntrans-87.9-517664.9167.3000114H397H397-I399 PolarHBondContact O-N 3.23Å
400R67.6Low76.9Confident205 Ų20578.7 Ų78.777%0.77441%0.411SS*.SBendtrans-87.8141.8-174.9-59.4178.5-179.1168.30.9110.5H397 G402H397-R400 WeakPolarHBondContact O-CB 3.43Å; H397-R400 PolarHBondContact O-N 2.92Å; R400-G402 PolarHBondContact O-N 3.5Å
401T60Low77Confident122 Ų12280.8 Ų80.875%0.74842%0.418SS*.  trans-70.5123.9169.547.90000110.1L403T401-L403 VanDerWaalsContact C-N 3.34Å; T401-L403 PolarHBondContact O-N 3.43Å
402G57.8Low77.1Confident41 Ų4178.5 Ų78.542%0.42342%0.416SS..  trans-70.168.6-166.600000118H397 R400 F404H397-G402 WeakPolarHBondContact CD2-CA 3.32Å; H397-G402 WeakPolarHBondContact NE2-CA 3.35Å; R400-G402 PolarHBondContact O-N 3.5Å; G402-F404 VanDerWaalsContact C-N 3.32Å; G402-F404 PolarHBondContact O-N 2.92Å
403L57.8Low77.2Confident144 Ų14477.8 Ų77.875%0.75441%0.411SS*.SBendtrans-67.3-32.9175.9-75160000112.3T401T401-L403 VanDerWaalsContact C-N 3.34Å; T401-L403 PolarHBondContact O-N 3.43Å
404F55.5Low77.6Confident190 Ų19077.8 Ų77.883%0.83341%0.411SS*.SBendtrans-156.6110-178.8-68.8-84.9000110.9G402G402-F404 VanDerWaalsContact C-N 3.32Å; G402-F404 PolarHBondContact O-N 2.92Å
405T62.5Low78.1Confident16 Ų1677.3 Ų77.310%0.09841%0.409CS..  trans-145.920.1174.6-55.10000117I396 H397I396-T405 HydrophobicContact CB-CG2 3.49Å; I396-T405 VanDerWaalsContact CB-CG2 3.49Å; I396-T405 HydrophobicContact CD1-CG2 4.23Å; I396-T405 HydrophobicContact CG1-CG2 4.49Å; I396-T405 HydrophobicContact CG2-CG2 3.25Å; H397-T405 PolarHBondContact CD2-OG1 2.68Å; H397-T405 VanDerWaalsContact NE2-CB 3.27Å; H397-T405 WeakPolarHBondContact NE2-CB 3.23Å; H397-T405 PolarHBondContact NE2-OG1 2.89Å
406P66.3Low78.5Confident42 Ų4276 Ų7627%0.27340%0.397SS..Hα-helixtrans-68.6-42.6173.2-22.434.4000115.4A409 F410 F497P406-A409 PolarHBondContact O-N 3.46Å; P406-F410 WeakPolarHBondContact O-CB 3.42Å; P406-F410 PolarHBondContact O-N 3.47Å; P406-F497 HydrophobicContact CB-CE1 3.58Å; P406-F497 HydrophobicContact CB-CZ 4.14Å
407D78.3Confident78.9Confident105 Ų10573.8 Ų73.856%0.56139%0.386SS*.Hα-helixtrans-67-50.6-164.9-56.1-25.4000113.5A409 F410 E411 F497D407-A409 VanDerWaalsContact C-N 3.3Å; D407-A409 PolarHBondContact O-N 2.63Å; D407-F410 PolarHBondContact O-N 2.82Å; D407-E411 VanDerWaalsContact O-CB 3.26Å; D407-E411 WeakPolarHBondContact O-CB 3.35Å; D407-E411 PolarHBondContact O-N 3.33Å; D407-F497 WeakPolarHBondContact OD1-CZ 3.43Å
408L86.1Confident79.7Confident88 Ų8872.2 Ų72.246%0.46138%0.379SS..Hα-helixtrans-68.6-32.1-177.1-174.861.5000111.7I396 T412I396-L408 HydrophobicContact CD1-CB 3.93Å; I396-L408 HydrophobicContact CD1-CD2 4.21Å; I396-L408 HydrophobicContact CD1-CG 3.86Å; I396-L408 HydrophobicContact CG1-CD2 3.99Å; I396-L408 HydrophobicContact CG1-CG 4.18Å; I396-L408 HydrophobicContact CG2-CB 4.43Å; I396-L408 HydrophobicContact CG2-CD2 3.85Å; L408-T412 VanDerWaalsContact O-CB 3.25Å; L408-T412 WeakPolarHBondContact O-CB 3.46Å; L408-T412 PolarHBondContact O-N 3.47Å; L408-T412 PolarHBondContact O-OG1 3.03Å
409A88.9Confident80.4Confident0 Ų073.1 Ų73.10%037%0.37CS..Hα-helixtrans-68.7-49.217500000110.3A392 I393 I396 P406 D407 E411 T412 I413 I656A392-A409 HydrophobicContact CB-CB 4.34Å; I393-A409 HydrophobicContact CG1-CB 3.94Å; I396-A409 VanDerWaalsContact CD1-CA 3.47Å; I396-A409 HydrophobicContact CD1-CB 3.69Å; I396-A409 VanDerWaalsContact CD1-N 3.29Å; P406-A409 PolarHBondContact O-N 3.46Å; D407-A409 VanDerWaalsContact C-N 3.3Å; D407-A409 PolarHBondContact O-N 2.63Å; A409-E411 VanDerWaalsContact C-N 3.33Å; A409-E411 PolarHBondContact O-N 3.43Å; A409-T412 PolarHBondContact O-N 3.05Å; A409-I413 WeakPolarHBondContact O-CB 2.91Å; A409-I413 WeakPolarHBondContact O-CG1 3.15Å; A409-I413 PolarHBondContact O-N 3.39Å; A409-I656 HydrophobicContact CB-CD1 3.63Å
410F91.2Very high81.2Confident7 Ų767.6 Ų67.63%0.03134%0.339CS..Hα-helixtrans-54.5-49.1173.3165.1-109.2000111.7P406 D407 T414 M487 T489 F494 I656 L659 V660 Y663P406-F410 WeakPolarHBondContact O-CB 3.42Å; P406-F410 PolarHBondContact O-N 3.47Å; D407-F410 PolarHBondContact O-N 2.82Å; F410-T414 WeakPolarHBondContact CD2-OG1 3.33Å; F410-T414 VanDerWaalsContact CE2-OG1 3.23Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.48Å; F410-T414 WeakPolarHBondContact O-CB 3.49Å; F410-T414 PolarHBondContact O-N 3.09Å; F410-T414 PolarHBondContact O-OG1 3.14Å; F410-M487 HydrophobicContact CD1-CE 4.03Å; F410-M487 HydrophobicContact CE1-CE 3.31Å; F410-M487 HydrophobicContact CE2-CE 4.37Å; F410-M487 HydrophobicContact CZ-CE 3.51Å; F410-T489 HydrophobicContact CE1-CG2 4.04Å; F410-F494 HydrophobicContact CE1-CZ 4.33Å; F410-F494 HydrophobicContact CE2-CE2 4.43Å; F410-F494 HydrophobicContact CE2-CZ 4.27Å; F410-F494 HydrophobicContact CZ-CE2 4.08Å; F410-F494 AromaticContact CZ-CZ 3.74Å; F410-F494 HydrophobicContact CZ-CZ 3.74Å; F410-I656 HydrophobicContact CB-CG1 4.46Å; F410-I656 HydrophobicContact CB-CG2 4.2Å; F410-L659 HydrophobicContact CD2-CB 3.53Å; F410-L659 VanDerWaalsContact CE2-C 3.44Å; F410-L659 HydrophobicContact CE2-CB 3.59Å; F410-L659 WeakPolarHBondContact CE2-O 3.38Å; F410-L659 HydrophobicContact CG-CB 4.38Å; F410-L659 HydrophobicContact CZ-CB 4.44Å; F410-V660 HydrophobicContact CD2-CG2 3.88Å; F410-V660 HydrophobicContact CE2-CG2 4.32Å; F410-Y663 HydrophobicContact CZ-CG 4.25Å
411E90.7Very high82.4Confident68 Ų6857.8 Ų57.832%0.31830%0.302SS..Hα-helixtrans-60.9-49.1179.3-176.6-176.3162.800111.7D407 A409 I413 T414 R415 M487D407-E411 VanDerWaalsContact O-CB 3.26Å; D407-E411 WeakPolarHBondContact O-CB 3.35Å; D407-E411 PolarHBondContact O-N 3.33Å; A409-E411 VanDerWaalsContact C-N 3.33Å; A409-E411 PolarHBondContact O-N 3.43Å; E411-I413 PolarHBondContact O-N 3.46Å; E411-T414 PolarHBondContact O-N 3.06Å; E411-R415 HydrophobicContact CG-CG 4.39Å; E411-R415 WeakPolarHBondContact O-CB 3.27Å; E411-R415 VanDerWaalsContact O-CG 3.25Å; E411-R415 WeakPolarHBondContact O-CG 3.48Å; E411-R415 PolarHBondContact O-N 2.92Å; E411-R415 IonicContact OE1-CZ 3.48Å; E411-R415 IonicContact OE1-NE 3.73Å; E411-R415 PolarHBondContact OE1-NE 3.26Å; E411-R415 IonicContact OE1-NH2 2.65Å; E411-R415 PolarHBondContact OE1-NH2 3.38Å; E411-M487 HydrophobicContact CB-SD 4.42Å; E411-M487 HydrophobicContact CG-SD 3.95Å
412T91.7Very high84.1Confident66 Ų6654.1 Ų54.141%0.40528%0.276SS..Hα-helixtrans-60.3-47.8-178.9-60.20000111.4L408 A409 K416L408-T412 VanDerWaalsContact O-CB 3.25Å; L408-T412 WeakPolarHBondContact O-CB 3.46Å; L408-T412 PolarHBondContact O-N 3.47Å; L408-T412 PolarHBondContact O-OG1 3.03Å; A409-T412 PolarHBondContact O-N 3.05Å; T412-K416 PolarHBondContact O-N 3.44Å
413I92.9Very high85.8Confident0 Ų058.1 Ų58.10%029%0.286CS..Hα-helixtrans-67.3-44.7-179.1-61.9-67.2000110.3L385 E388 I389 A392 A409 E411 K416 Q417 V660L385-I413 HydrophobicContact CD1-CG2 3.67Å; E388-I413 HydrophobicContact CB-CD1 4.1Å; E388-I413 HydrophobicContact CG-CD1 3.57Å; I389-I413 HydrophobicContact CG1-CD1 4.25Å; I389-I413 HydrophobicContact CG1-CG1 3.93Å; I389-I413 HydrophobicContact CG1-CG2 4.15Å; A392-I413 HydrophobicContact CB-CD1 4.04Å; A392-I413 HydrophobicContact CB-CG1 4.22Å; A409-I413 WeakPolarHBondContact O-CB 2.91Å; A409-I413 WeakPolarHBondContact O-CG1 3.15Å; A409-I413 PolarHBondContact O-N 3.39Å; E411-I413 PolarHBondContact O-N 3.46Å; I413-K416 WeakPolarHBondContact O-CB 3.23Å; I413-K416 PolarHBondContact O-N 2.62Å; I413-Q417 WeakPolarHBondContact O-CG 3.34Å; I413-Q417 PolarHBondContact O-N 3.35Å; I413-V660 HydrophobicContact CB-CG2 4.11Å; I413-V660 HydrophobicContact CG2-CG1 4.13Å; I413-V660 HydrophobicContact CG2-CG2 3.73Å
414T93.5Very high87.6Confident0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-64-46.5-179.6-56.80000111.7F410 E411 K416 Q417 I418 M487 Y663 M664F410-T414 WeakPolarHBondContact CD2-OG1 3.33Å; F410-T414 VanDerWaalsContact CE2-OG1 3.23Å; F410-T414 WeakPolarHBondContact CE2-OG1 3.48Å; F410-T414 WeakPolarHBondContact O-CB 3.49Å; F410-T414 PolarHBondContact O-N 3.09Å; F410-T414 PolarHBondContact O-OG1 3.14Å; E411-T414 PolarHBondContact O-N 3.06Å; T414-K416 VanDerWaalsContact C-N 3.27Å; T414-K416 PolarHBondContact O-N 3.14Å; T414-Q417 PolarHBondContact O-N 2.99Å; T414-Q417 VanDerWaalsContact O-N 3.08Å; T414-I418 HydrophobicContact CG2-CD1 3.94Å; T414-I418 HydrophobicContact CG2-CG1 4.34Å; T414-I418 WeakPolarHBondContact O-CG1 3.17Å; T414-I418 PolarHBondContact O-N 3.06Å; T414-M487 HydrophobicContact CG2-CE 3.47Å; T414-M487 VanDerWaalsContact CG2-CE 3.47Å; T414-M487 HydrophobicContact CG2-SD 4.14Å; T414-Y663 HydrophobicContact CG2-CD1 3.39Å; T414-Y663 HydrophobicContact CG2-CE1 4.07Å; T414-Y663 HydrophobicContact CG2-CG 4.2Å; T414-M664 HydrophobicContact CG2-SD 4.27Å
415R95.1Very high89.5Confident84 Ų8442.6 Ų42.632%0.31721%0.213SC..Hα-helixtrans-55.5-43.1175-74175.4-171.7-73.6-5.9111.5E411 Q417 I418 D419 L484 M487E411-R415 HydrophobicContact CG-CG 4.39Å; E411-R415 WeakPolarHBondContact O-CB 3.27Å; E411-R415 VanDerWaalsContact O-CG 3.25Å; E411-R415 WeakPolarHBondContact O-CG 3.48Å; E411-R415 PolarHBondContact O-N 2.92Å; E411-R415 IonicContact OE1-CZ 3.48Å; E411-R415 IonicContact OE1-NE 3.73Å; E411-R415 PolarHBondContact OE1-NE 3.26Å; E411-R415 IonicContact OE1-NH2 2.65Å; E411-R415 PolarHBondContact OE1-NH2 3.38Å; R415-Q417 VanDerWaalsContact C-N 3.35Å; R415-Q417 PolarHBondContact O-N 3.48Å; R415-I418 PolarHBondContact O-N 3.46Å; R415-D419 PolarHBondContact O-N 3.35Å; R415-L484 HydrophobicContact CB-CD2 4.14Å; R415-L484 HydrophobicContact CG-CD2 4.45Å; R415-L484 PolarHBondContact NH1-O 3.49Å; R415-L484 VanDerWaalsContact O-CD2 3.27Å; R415-L484 WeakPolarHBondContact O-CD2 3.4Å; R415-M487 HydrophobicContact CG-SD 4.12Å
416K93.1Very high91.2Very high95 Ų9543.3 Ų43.341%0.41322%0.216SC..Hα-helixtrans-62.8-40176.9-168.9-170.9-176.3-171.80112.4E388 T412 I413 T414 K420E388-K416 WeakPolarHBondContact OE1-CD 3.24Å; E388-K416 WeakPolarHBondContact OE1-CE 3.33Å; E388-K416 IonicContact OE1-NZ 3.22Å; E388-K416 PolarHBondContact OE1-NZ 3.29Å; E388-K416 IonicContact OE2-NZ 3.72Å; E388-K416 PolarHBondContact OE2-NZ 3.46Å; T412-K416 PolarHBondContact O-N 3.44Å; I413-K416 WeakPolarHBondContact O-CB 3.23Å; I413-K416 PolarHBondContact O-N 2.62Å; T414-K416 VanDerWaalsContact C-N 3.27Å; T414-K416 PolarHBondContact O-N 3.14Å; K416-K420 WeakPolarHBondContact O-CG 3.47Å; K416-K420 PolarHBondContact O-N 3.03Å
417Q92.3Very high92.6Very high6 Ų644.7 Ų44.73%0.02822%0.218CC..Hα-helixtrans-70.5-37.1177.4-62.6-62.4-15.800112T380 I413 T414 R415 K420 V660 M664T380-Q417 PolarHBondContact OG1-NE2 2.91Å; I413-Q417 WeakPolarHBondContact O-CG 3.34Å; I413-Q417 PolarHBondContact O-N 3.35Å; T414-Q417 PolarHBondContact O-N 2.99Å; T414-Q417 VanDerWaalsContact O-N 3.08Å; R415-Q417 VanDerWaalsContact C-N 3.35Å; R415-Q417 PolarHBondContact O-N 3.48Å; Q417-K420 PolarHBondContact O-N 3.47Å; Q417-V660 HydrophobicContact CG-CG1 4.36Å; Q417-M664 HydrophobicContact CB-CE 3.75Å; Q417-M664 HydrophobicContact CB-CG 4.08Å; Q417-M664 HydrophobicContact CB-SD 3.59Å; Q417-M664 VanDerWaalsContact CB-SD 3.59Å
418I94.8Very high93.5Very high0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-62.3-45.8174.9-67.4171.3000110.9T414 R415 K420 M421 V480 Q483 L484 Y663 M664 V667T414-I418 HydrophobicContact CG2-CD1 3.94Å; T414-I418 HydrophobicContact CG2-CG1 4.34Å; T414-I418 WeakPolarHBondContact O-CG1 3.17Å; T414-I418 PolarHBondContact O-N 3.06Å; R415-I418 PolarHBondContact O-N 3.46Å; I418-K420 VanDerWaalsContact C-N 3.26Å; I418-K420 PolarHBondContact O-N 3.29Å; I418-M421 HydrophobicContact CB-CE 3.98Å; I418-M421 HydrophobicContact CG1-CE 4.13Å; I418-M421 HydrophobicContact CG2-CE 3.68Å; I418-M421 VanDerWaalsContact O-CB 3.31Å; I418-M421 WeakPolarHBondContact O-CB 3.45Å; I418-M421 WeakPolarHBondContact O-CE 3.41Å; I418-M421 PolarHBondContact O-N 2.97Å; I418-V480 HydrophobicContact CG2-CG1 3.9Å; I418-V480 WeakPolarHBondContact O-CG1 3.19Å; I418-Q483 HydrophobicContact CG2-CB 3.85Å; I418-L484 HydrophobicContact CB-CD2 3.76Å; I418-L484 HydrophobicContact CB-CG 4.43Å; I418-L484 HydrophobicContact CG2-CD2 3.58Å; I418-L484 HydrophobicContact CG2-CG 3.69Å; I418-Y663 HydrophobicContact CD1-CD1 4.43Å; I418-Y663 HydrophobicContact CD1-CE1 4Å; I418-M664 HydrophobicContact CG1-CE 4.37Å; I418-M664 HydrophobicContact CG1-SD 3.67Å; I418-V667 HydrophobicContact CD1-CG2 4.33Å; I418-V667 HydrophobicContact CG1-CG1 4.43Å
419D95.4Very high94.1Very high76 Ų7635.7 Ų35.741%0.40617%0.171SC..Hα-helixtrans-61.8-33.9-177.4-170.364.6000112.6R415 M421 K422 L484R415-D419 PolarHBondContact O-N 3.35Å; D419-M421 PolarHBondContact O-N 3.02Å; D419-M421 VanDerWaalsContact O-N 3.13Å; D419-K422 WeakPolarHBondContact O-CB 3.23Å; D419-K422 WeakPolarHBondContact O-CG 3.44Å; D419-K422 PolarHBondContact O-N 3.36Å; D419-K422 VanDerWaalsContact O-N 3.14Å; D419-K422 WeakPolarHBondContact OD1-CD 3.48Å; D419-K422 WeakPolarHBondContact OD1-CE 3.32Å; D419-K422 IonicContact OD1-NZ 3.92Å; D419-K422 PolarHBondContact OD1-NZ 3.49Å; D419-L484 HydrophobicContact CB-CD1 4.23Å; D419-L484 HydrophobicContact CB-CD2 4.4Å
420K93.2Very high94.5Very high64 Ų6439.2 Ų39.228%0.27819%0.19SC..Hα-helixtrans-59-25.2174.5-70.1175-174.2172.70113.4I378 K416 Q417 I418 K422 I423 P424I378-K420 HydrophobicContact CD1-CB 4.23Å; I378-K420 WeakPolarHBondContact CD1-O 3.4Å; I378-K420 HydrophobicContact CG1-CB 4.49Å; I378-K420 HydrophobicContact CG2-CB 3.92Å; I378-K420 HydrophobicContact CG2-CD 4.11Å; K416-K420 WeakPolarHBondContact O-CG 3.47Å; K416-K420 PolarHBondContact O-N 3.03Å; Q417-K420 PolarHBondContact O-N 3.47Å; I418-K420 VanDerWaalsContact C-N 3.26Å; I418-K420 PolarHBondContact O-N 3.29Å; K420-K422 PolarHBondContact O-N 2.87Å; K420-I423 PolarHBondContact O-N 3.19Å; K420-P424 VanDerWaalsContact O-CD 3.28Å; K420-P424 WeakPolarHBondContact O-CD 3.37Å
421M93.3Very high94.8Very high0 Ų041.7 Ų41.70%020%0.203CC..THydrogen-bonded Turntrans-67.7-16.6179.2-59.6-172.9-66.100113.7M375 I378 I418 D419 I423 P424 S425 M664 V667 I668 Q671M375-M421 HydrophobicContact SD-CB 3.9Å; M375-M421 HydrophobicContact SD-CG 3.68Å; M375-M421 HydrophobicContact SD-SD 4.01Å; I378-M421 HydrophobicContact CD1-CB 4.18Å; I378-M421 HydrophobicContact CD1-CG 3.81Å; I418-M421 HydrophobicContact CB-CE 3.98Å; I418-M421 HydrophobicContact CG1-CE 4.13Å; I418-M421 HydrophobicContact CG2-CE 3.68Å; I418-M421 VanDerWaalsContact O-CB 3.31Å; I418-M421 WeakPolarHBondContact O-CB 3.45Å; I418-M421 WeakPolarHBondContact O-CE 3.41Å; I418-M421 PolarHBondContact O-N 2.97Å; D419-M421 PolarHBondContact O-N 3.02Å; D419-M421 VanDerWaalsContact O-N 3.13Å; M421-I423 PolarHBondContact O-N 3.04Å; M421-P424 VanDerWaalsContact O-CD 3.27Å; M421-P424 WeakPolarHBondContact O-CD 3.43Å; M421-P424 WeakPolarHBondContact O-CG 3.25Å; M421-S425 WeakPolarHBondContact O-CB 3.42Å; M421-S425 PolarHBondContact O-N 3.37Å; M421-S425 PolarHBondContact O-OG 3.31Å; M421-M664 HydrophobicContact CE-CE 4.33Å; M421-M664 HydrophobicContact CG-CE 4.41Å; M421-M664 HydrophobicContact SD-CE 3.98Å; M421-V667 HydrophobicContact CE-CB 4.22Å; M421-V667 HydrophobicContact CE-CG1 3.24Å; M421-V667 HydrophobicContact SD-CG1 4.2Å; M421-I668 HydrophobicContact SD-CG1 3.81Å; M421-Q671 HydrophobicContact CE-CG 4.11Å; M421-Q671 HydrophobicContact SD-CG 4.16Å
422K95.1Very high95.2Very high44 Ų4438.4 Ų38.419%0.19119%0.187CC..Hα-helixtrans-55.1-42174.2-72.5176.6177.4163.20111.6D419 K420 L426 V480 D481D419-K422 WeakPolarHBondContact O-CB 3.23Å; D419-K422 WeakPolarHBondContact O-CG 3.44Å; D419-K422 PolarHBondContact O-N 3.36Å; D419-K422 VanDerWaalsContact O-N 3.14Å; D419-K422 WeakPolarHBondContact OD1-CD 3.48Å; D419-K422 WeakPolarHBondContact OD1-CE 3.32Å; D419-K422 IonicContact OD1-NZ 3.92Å; D419-K422 PolarHBondContact OD1-NZ 3.49Å; K420-K422 PolarHBondContact O-N 2.87Å; K422-L426 WeakPolarHBondContact O-CB 3.5Å; K422-L426 VanDerWaalsContact O-CG 3.22Å; K422-L426 WeakPolarHBondContact O-CG 3.43Å; K422-L426 PolarHBondContact O-N 3.46Å; K422-V480 HydrophobicContact CD-CG1 4.39Å; K422-V480 HydrophobicContact CG-CB 3.8Å; K422-V480 HydrophobicContact CG-CG1 3.77Å; K422-V480 HydrophobicContact CG-CG2 3.84Å; K422-D481 WeakPolarHBondContact CE-OD1 2.77Å; K422-D481 IonicContact NZ-OD1 3.88Å; K422-D481 PolarHBondContact NZ-OD1 3.39Å
423I94.4Very high95.5Very high126 Ų12636 Ų3665%0.64617%0.172SC*.Hα-helixtrans-64.2-57.4-174.4-59.5172.9000112.2K420 M421 S425 L426 K427K420-I423 PolarHBondContact O-N 3.19Å; M421-I423 PolarHBondContact O-N 3.04Å; I423-S425 VanDerWaalsContact C-N 3.31Å; I423-S425 PolarHBondContact O-N 2.96Å; I423-L426 PolarHBondContact O-N 3.42Å; I423-K427 WeakPolarHBondContact O-CB 3.3Å; I423-K427 PolarHBondContact O-N 2.95Å
424P94.7Very high95.7Very high8 Ų838.9 Ų38.95%0.05220%0.196CC..Hα-helixtrans-66.3-31.9179.227.8-37.5000113.1E374 M375 I378 K420 M421 K427 C428E374-P424 HydrophobicContact CB-CB 3.7Å; M375-P424 HydrophobicContact CE-CG 4.09Å; M375-P424 HydrophobicContact SD-CG 3.76Å; I378-P424 HydrophobicContact CD1-CG 3.49Å; I378-P424 VanDerWaalsContact CD1-CG 3.49Å; I378-P424 HydrophobicContact CG1-CG 4.32Å; K420-P424 VanDerWaalsContact O-CD 3.28Å; K420-P424 WeakPolarHBondContact O-CD 3.37Å; M421-P424 VanDerWaalsContact O-CD 3.27Å; M421-P424 WeakPolarHBondContact O-CD 3.43Å; M421-P424 WeakPolarHBondContact O-CG 3.25Å; P424-K427 PolarHBondContact O-N 2.97Å; P424-C428 PolarHBondContact O-N 2.71Å
425S96.9Very high95.8Very high0 Ų040.6 Ų40.60%020%0.204CC..Hα-helixtrans-65.7-43.7175.9-62.50000111.9M421 I423 C428 A429 I476M421-S425 WeakPolarHBondContact O-CB 3.42Å; M421-S425 PolarHBondContact O-N 3.37Å; M421-S425 PolarHBondContact O-OG 3.31Å; I423-S425 VanDerWaalsContact C-N 3.31Å; I423-S425 PolarHBondContact O-N 2.96Å; S425-C428 WeakPolarHBondContact O-CB 3.34Å; S425-C428 PolarHBondContact O-N 3.23Å; S425-A429 PolarHBondContact O-N 3.45Å; S425-I476 VanDerWaalsContact CB-CG2 3.47Å
426L97.7Very high96Very high31 Ų3136.6 Ų36.616%0.16219%0.189CC..Hα-helixtrans-66.9-40.5174.3-71.5171.5000111.8K422 I423 C428 A429 D430 R473 I476 V477K422-L426 WeakPolarHBondContact O-CB 3.5Å; K422-L426 VanDerWaalsContact O-CG 3.22Å; K422-L426 WeakPolarHBondContact O-CG 3.43Å; K422-L426 PolarHBondContact O-N 3.46Å; I423-L426 PolarHBondContact O-N 3.42Å; L426-C428 PolarHBondContact O-N 3.24Å; L426-A429 WeakPolarHBondContact O-CA 3.32Å; L426-A429 VanDerWaalsContact O-CB 3.26Å; L426-A429 WeakPolarHBondContact O-CB 3.34Å; L426-A429 PolarHBondContact O-N 2.93Å; L426-D430 PolarHBondContact O-N 2.91Å; L426-R473 HydrophobicContact CD2-CB 3.77Å; L426-R473 HydrophobicContact CD2-CG 3.86Å; L426-I476 HydrophobicContact CD2-CB 4.37Å; L426-I476 HydrophobicContact CD2-CG2 4.11Å; L426-I476 HydrophobicContact CG-CG2 4.32Å; L426-V477 HydrophobicContact CD1-CG2 4.31Å; L426-V477 HydrophobicContact CD2-CG2 4.28Å
427K95.9Very high96.2Very high71 Ų7134.6 Ų34.631%0.30919%0.185SC..Hα-helixtrans-60.1-34.7175.5-171.7178.5-175.5-1770112.6E374 I423 P424 A429 D430 L431E374-K427 HydrophobicContact CG-CD 4.33Å; E374-K427 IonicContact OE1-NZ 2.9Å; E374-K427 PolarHBondContact OE1-NZ 3.24Å; E374-K427 IonicContact OE2-NZ 2.93Å; E374-K427 PolarHBondContact OE2-NZ 3.28Å; I423-K427 WeakPolarHBondContact O-CB 3.3Å; I423-K427 PolarHBondContact O-N 2.95Å; P424-K427 PolarHBondContact O-N 2.97Å; K427-A429 VanDerWaalsContact C-N 3.33Å; K427-D430 PolarHBondContact O-N 3.45Å; K427-L431 WeakPolarHBondContact O-CG 3.33Å; K427-L431 PolarHBondContact O-N 3.4Å; K427-L431 VanDerWaalsContact O-N 3.11Å
428C97.2Very high96.4Very high3 Ų339.8 Ų39.82%0.0221%0.209CC..Hα-helixtrans-61.9-42172.7-175.90000111.5L371 P424 S425 L426 L431 V432 V675 L679L371-C428 HydrophobicContact CB-CB 4.31Å; L371-C428 HydrophobicContact CD1-CB 3.88Å; L371-C428 HydrophobicContact CG-CB 4.48Å; P424-C428 PolarHBondContact O-N 2.71Å; S425-C428 WeakPolarHBondContact O-CB 3.34Å; S425-C428 PolarHBondContact O-N 3.23Å; L426-C428 PolarHBondContact O-N 3.24Å; C428-L431 PolarHBondContact O-N 3.49Å; C428-V432 WeakPolarHBondContact O-CG2 3.39Å; C428-V432 PolarHBondContact O-N 2.98Å; C428-V432 VanDerWaalsContact O-N 3.08Å; C428-V675 HydrophobicContact CB-CG1 4.42Å; C428-L679 HydrophobicContact CB-CD1 4.5Å
429A98Very high96.5Very high1 Ų140.2 Ų40.21%0.00821%0.211CC..Hα-helixtrans-60.8-45.8174.500000111.7S425 L426 K427 L431 V432 V433 I476 L679S425-A429 PolarHBondContact O-N 3.45Å; L426-A429 WeakPolarHBondContact O-CA 3.32Å; L426-A429 VanDerWaalsContact O-CB 3.26Å; L426-A429 WeakPolarHBondContact O-CB 3.34Å; L426-A429 PolarHBondContact O-N 2.93Å; K427-A429 VanDerWaalsContact C-N 3.33Å; A429-L431 VanDerWaalsContact C-N 3.3Å; A429-L431 PolarHBondContact O-N 2.94Å; A429-V432 PolarHBondContact O-N 2.93Å; A429-V433 WeakPolarHBondContact O-CG2 3.25Å; A429-V433 PolarHBondContact O-N 3.13Å; A429-I476 HydrophobicContact CB-CD1 3.86Å; A429-L679 HydrophobicContact CB-CD1 4.28Å; A429-L679 HydrophobicContact CB-CD2 3.69Å
430D97.5Very high96.6Very high74 Ų7436.6 Ų36.640%0.39619%0.192SC..Hα-helixtrans-56.9-44.4178.3-59.3-24.2000111.5L426 K427 V433 A434L426-D430 PolarHBondContact O-N 2.91Å; K427-D430 PolarHBondContact O-N 3.45Å; D430-V433 PolarHBondContact O-N 3.02Å; D430-A434 WeakPolarHBondContact O-CB 3.49Å; D430-A434 PolarHBondContact O-N 3.01Å
431L97.6Very high96.7Very high58 Ų5838 Ų3830%0.30420%0.199SC..Hα-helixtrans-65.5-40.1178.7-68.9173.1000112.5I366 R370 K427 C428 A429 Q435I366-L431 HydrophobicContact CD1-CB 3.87Å; I366-L431 HydrophobicContact CG1-CB 4.21Å; I366-L431 HydrophobicContact CG2-CB 3.93Å; I366-L431 HydrophobicContact CG2-CD1 4.25Å; R370-L431 HydrophobicContact CB-CD1 4.49Å; R370-L431 HydrophobicContact CG-CD1 3.53Å; K427-L431 WeakPolarHBondContact O-CG 3.33Å; K427-L431 PolarHBondContact O-N 3.4Å; K427-L431 VanDerWaalsContact O-N 3.11Å; C428-L431 PolarHBondContact O-N 3.49Å; A429-L431 VanDerWaalsContact C-N 3.3Å; A429-L431 PolarHBondContact O-N 2.94Å; L431-Q435 WeakPolarHBondContact O-CB 3.33Å; L431-Q435 PolarHBondContact O-N 3.48Å
432V98.3Very high96.8Very high0 Ų040.6 Ų40.60%022%0.221CC..Hα-helixtrans-66.9-41.9176.6172.90000111I363 I366 F367 C428 A429 Q435 L436 L679 L683I363-V432 HydrophobicContact CG2-CG2 4.48Å; I366-V432 HydrophobicContact CD1-CG2 4.47Å; I366-V432 HydrophobicContact CG2-CG2 4.03Å; F367-V432 HydrophobicContact CD1-CG2 4.41Å; F367-V432 HydrophobicContact CE1-CG2 3.55Å; F367-V432 HydrophobicContact CZ-CG2 3.91Å; C428-V432 WeakPolarHBondContact O-CG2 3.39Å; C428-V432 PolarHBondContact O-N 2.98Å; C428-V432 VanDerWaalsContact O-N 3.08Å; A429-V432 PolarHBondContact O-N 2.93Å; V432-Q435 PolarHBondContact O-N 3.41Å; V432-L436 HydrophobicContact CG1-CD1 3.85Å; V432-L436 HydrophobicContact CG1-CG 4.35Å; V432-L436 VanDerWaalsContact O-CG 3.28Å; V432-L436 WeakPolarHBondContact O-CG 3.46Å; V432-L436 PolarHBondContact O-N 3.06Å; V432-L679 HydrophobicContact CG2-CD1 4.29Å; V432-L683 HydrophobicContact CG1-CD1 4.1Å
433V98.2Very high96.7Very high14 Ų1438.7 Ų38.79%0.08521%0.213CC..Hα-helixtrans-63.4-43.8177.2168.60000111.4A429 D430 Q435 L436 T437 I465 E469 L683A429-V433 WeakPolarHBondContact O-CG2 3.25Å; A429-V433 PolarHBondContact O-N 3.13Å; D430-V433 PolarHBondContact O-N 3.02Å; V433-Q435 VanDerWaalsContact C-N 3.32Å; V433-Q435 PolarHBondContact O-N 3.2Å; V433-L436 PolarHBondContact O-N 3.14Å; V433-T437 PolarHBondContact O-N 3.45Å; V433-T437 PolarHBondContact O-OG1 3.25Å; V433-I465 HydrophobicContact CG1-CG2 3.84Å; V433-E469 HydrophobicContact CG2-CB 3.92Å; V433-E469 HydrophobicContact CG2-CG 3.87Å; V433-L683 HydrophobicContact CG2-CD1 3.84Å
434A97.6Very high96.8Very high61 Ų6132.8 Ų32.850%0.50418%0.183SC..Hα-helixtrans-58.4-45.9174.200000111.1D430 L436 T437 E438D430-A434 WeakPolarHBondContact O-CB 3.49Å; D430-A434 PolarHBondContact O-N 3.01Å; A434-L436 PolarHBondContact O-N 3.25Å; A434-T437 PolarHBondContact O-N 2.94Å; A434-E438 PolarHBondContact O-N 3.16Å
435Q96.2Very high96.7Very high36 Ų3634.7 Ų34.717%0.16820%0.2CC..Hα-helixtrans-64.5-38.7178.3-172.45755.900112.9L362 I363 I366 L431 V432 V433 E438 I439L362-Q435 HydrophobicContact CB-CG 4.1Å; I363-Q435 HydrophobicContact CD1-CG 4.38Å; I363-Q435 HydrophobicContact CG1-CB 4.19Å; I363-Q435 HydrophobicContact CG1-CG 3.7Å; I366-Q435 HydrophobicContact CD1-CB 4.28Å; L431-Q435 WeakPolarHBondContact O-CB 3.33Å; L431-Q435 PolarHBondContact O-N 3.48Å; V432-Q435 PolarHBondContact O-N 3.41Å; V433-Q435 VanDerWaalsContact C-N 3.32Å; V433-Q435 PolarHBondContact O-N 3.2Å; Q435-E438 PolarHBondContact O-N 3.46Å; Q435-I439 HydrophobicContact CG-CD1 4.31Å; Q435-I439 WeakPolarHBondContact O-CD1 3.47Å; Q435-I439 VanDerWaalsContact O-CG1 3.23Å; Q435-I439 WeakPolarHBondContact O-CG1 3.2Å; Q435-I439 PolarHBondContact O-N 3.27Å; Q435-I439 VanDerWaalsContact O-N 3.14Å
436L98Very high96.3Very high0 Ų041.6 Ų41.60%023%0.226CC..Hα-helixtrans-65.4-41.2175.9-73.2165.8000111.7F341 I345 I363 V432 V433 A434 E438 I439 V440 I465 L683 V684 I687F341-L436 HydrophobicContact CZ-CD2 3.99Å; I345-L436 HydrophobicContact CD1-CD2 3.91Å; I363-L436 HydrophobicContact CD1-CD2 4.06Å; I363-L436 HydrophobicContact CD1-CG 4.36Å; V432-L436 HydrophobicContact CG1-CD1 3.85Å; V432-L436 HydrophobicContact CG1-CG 4.35Å; V432-L436 VanDerWaalsContact O-CG 3.28Å; V432-L436 WeakPolarHBondContact O-CG 3.46Å; V432-L436 PolarHBondContact O-N 3.06Å; V433-L436 PolarHBondContact O-N 3.14Å; A434-L436 PolarHBondContact O-N 3.25Å; L436-E438 VanDerWaalsContact C-N 3.34Å; L436-I439 PolarHBondContact O-N 3.26Å; L436-V440 WeakPolarHBondContact O-CG2 3.39Å; L436-V440 PolarHBondContact O-N 3.01Å; L436-I465 HydrophobicContact CB-CD1 4.25Å; L436-L683 HydrophobicContact CD1-CB 3.97Å; L436-L683 HydrophobicContact CD1-CD1 4.49Å; L436-V684 HydrophobicContact CD1-CG2 4.4Å; L436-V684 HydrophobicContact CD2-CG2 4.32Å; L436-I687 HydrophobicContact CD1-CD1 3.67Å; L436-I687 HydrophobicContact CD2-CD1 4.11Å; L436-I687 HydrophobicContact CG-CD1 4.34Å
437T97.5Very high96Very high53 Ų5340.4 Ų40.433%0.32522%0.22SC..Hα-helixtrans-61.3-43.7177-550000111.1V433 A434 I439 V440 H441V433-T437 PolarHBondContact O-N 3.45Å; V433-T437 PolarHBondContact O-OG1 3.25Å; A434-T437 PolarHBondContact O-N 2.94Å; T437-I439 PolarHBondContact O-N 3.12Å; T437-V440 PolarHBondContact O-N 3.16Å; T437-H441 PolarHBondContact O-N 2.99Å
438E96.5Very high95.5Very high115 Ų11543.2 Ų43.254%0.53723%0.234SC..Hα-helixtrans-61.8-41.5176.6-173.360.9-152.800112.1A434 Q435 L436 H441 A442A434-E438 PolarHBondContact O-N 3.16Å; Q435-E438 PolarHBondContact O-N 3.46Å; L436-E438 VanDerWaalsContact C-N 3.34Å; E438-H441 PolarHBondContact O-N 3.44Å; E438-A442 PolarHBondContact O-N 3.1Å
439I96.3Very high94.9Very high9 Ų946.6 Ų46.65%0.04625%0.251CS..Hα-helixtrans-63.6-43.9176.9-65.8162.8000110.9F341 A344 I345 I363 Q435 L436 T437 H441 A442 C443F341-I439 HydrophobicContact CD2-CG2 3.69Å; F341-I439 HydrophobicContact CE2-CB 4.4Å; F341-I439 HydrophobicContact CE2-CG2 3.83Å; A344-I439 HydrophobicContact CB-CG2 3.57Å; I345-I439 HydrophobicContact CD1-CD1 3.53Å; I363-I439 HydrophobicContact CD1-CD1 4.42Å; Q435-I439 HydrophobicContact CG-CD1 4.31Å; Q435-I439 WeakPolarHBondContact O-CD1 3.47Å; Q435-I439 VanDerWaalsContact O-CG1 3.23Å; Q435-I439 WeakPolarHBondContact O-CG1 3.2Å; Q435-I439 PolarHBondContact O-N 3.27Å; Q435-I439 VanDerWaalsContact O-N 3.14Å; L436-I439 PolarHBondContact O-N 3.26Å; T437-I439 PolarHBondContact O-N 3.12Å; I439-H441 VanDerWaalsContact C-N 3.33Å; I439-H441 PolarHBondContact O-N 2.74Å; I439-A442 PolarHBondContact O-N 2.96Å; I439-C443 WeakPolarHBondContact O-CB 3.41Å; I439-C443 PolarHBondContact O-N 3.48Å; I439-C443 PolarHBondContact O-SG 3.28Å
440V97.8Very high94.5Very high0 Ų047.9 Ų47.90%026%0.257CS..Hα-helixtrans-58-48.7176.8170.20000110.2F337 F341 L436 T437 A442 C443 T444 E458 V461 I465F337-V440 HydrophobicContact CZ-CG1 4.28Å; F341-V440 HydrophobicContact CD2-CG2 4.18Å; F341-V440 HydrophobicContact CE2-CG2 3.84Å; L436-V440 WeakPolarHBondContact O-CG2 3.39Å; L436-V440 PolarHBondContact O-N 3.01Å; T437-V440 PolarHBondContact O-N 3.16Å; V440-A442 PolarHBondContact O-N 3.38Å; V440-C443 PolarHBondContact O-N 2.98Å; V440-T444 HydrophobicContact CG1-CG2 4.27Å; V440-T444 WeakPolarHBondContact O-CG2 3.21Å; V440-T444 PolarHBondContact O-N 2.89Å; V440-T444 PolarHBondContact O-OG1 3.07Å; V440-E458 HydrophobicContact CG1-CG 4.3Å; V440-V461 HydrophobicContact CB-CG1 4.47Å; V440-V461 HydrophobicContact CG1-CB 4.13Å; V440-V461 HydrophobicContact CG1-CG1 4Å; V440-V461 HydrophobicContact CG2-CG1 3.55Å; V440-I465 HydrophobicContact CG2-CD1 3.86Å
441H96.3Very high94.2Very high93 Ų9346 Ų4643%0.43125%0.248SC..Hα-helixtrans-58.6-46.9178.7-174.469.5000112.5T437 E438 I439 C443 T444 A445 E458T437-H441 PolarHBondContact O-N 2.99Å; E438-H441 PolarHBondContact O-N 3.44Å; I439-H441 VanDerWaalsContact C-N 3.33Å; I439-H441 PolarHBondContact O-N 2.74Å; H441-C443 VanDerWaalsContact C-N 3.3Å; H441-C443 PolarHBondContact O-N 3.29Å; H441-T444 PolarHBondContact O-N 3.12Å; H441-T444 PolarHBondContact O-OG1 3.31Å; H441-T444 VanDerWaalsContact O-OG1 3.08Å; H441-A445 PolarHBondContact O-N 3.16Å; H441-E458 IonicContact CE1-OE1 2.78Å; H441-E458 IonicContact CG-OE1 3.14Å; H441-E458 IonicContact ND1-OE1 2.69Å; H441-E458 PolarHBondContact ND1-OE1 2.97Å; H441-E458 IonicContact ND1-OE2 2.62Å
442A94.1Very high93.9Very high56 Ų5649.6 Ų49.646%0.46326%0.258SS..Hα-helixtrans-62.9-35.8177.500000112.7E438 I439 V440E438-A442 PolarHBondContact O-N 3.1Å; I439-A442 PolarHBondContact O-N 2.96Å; V440-A442 PolarHBondContact O-N 3.38Å
443C94.5Very high93.7Very high4 Ų449.6 Ų49.63%0.02726%0.258CS..Hα-helixtrans-73.4-42.5177-72.90000112.3F337 D340 I439 V440 H441 A445 R446F337-C443 HydrophobicContact CD2-CB 3.63Å; F337-C443 HydrophobicContact CE2-CB 3.44Å; F337-C443 VanDerWaalsContact CE2-CB 3.44Å; D340-C443 HydrophobicContact CB-CB 4.46Å; I439-C443 WeakPolarHBondContact O-CB 3.41Å; I439-C443 PolarHBondContact O-N 3.48Å; I439-C443 PolarHBondContact O-SG 3.28Å; V440-C443 PolarHBondContact O-N 2.98Å; H441-C443 VanDerWaalsContact C-N 3.3Å; H441-C443 PolarHBondContact O-N 3.29Å; C443-A445 VanDerWaalsContact C-N 3.28Å; C443-A445 PolarHBondContact O-N 3.36Å; C443-R446 PolarHBondContact O-N 3.5Å
444T95.7Very high93.5Very high1 Ų152.6 Ų52.61%0.00627%0.268CS..Hα-helixtrans-68.8-27.1178.456.40000112.1F337 V440 H441 R446 M447 R454 T457 E458F337-T444 HydrophobicContact CD2-CG2 3.97Å; F337-T444 HydrophobicContact CE2-CG2 3.39Å; F337-T444 HydrophobicContact CZ-CG2 3.93Å; V440-T444 HydrophobicContact CG1-CG2 4.27Å; V440-T444 WeakPolarHBondContact O-CG2 3.21Å; V440-T444 PolarHBondContact O-N 2.89Å; V440-T444 PolarHBondContact O-OG1 3.07Å; H441-T444 PolarHBondContact O-N 3.12Å; H441-T444 PolarHBondContact O-OG1 3.31Å; H441-T444 VanDerWaalsContact O-OG1 3.08Å; T444-R446 PolarHBondContact O-N 2.96Å; T444-M447 HydrophobicContact CG2-SD 4.42Å; T444-M447 VanDerWaalsContact O-CB 3.29Å; T444-M447 WeakPolarHBondContact O-CB 3.3Å; T444-M447 PolarHBondContact O-N 2.93Å; T444-R454 WeakPolarHBondContact O-CD 3.43Å; T444-R454 VanDerWaalsContact O-CG 3.28Å; T444-R454 WeakPolarHBondContact O-CG 3.35Å; T444-T457 HydrophobicContact CG2-CG2 4.11Å; T444-E458 HydrophobicContact CG2-CB 3.98Å; T444-E458 PolarHBondContact OG1-OE2 3.44Å
445A92.7Very high93.3Very high49 Ų4955 Ų5541%0.40527%0.269SS..G310 helixtrans-52.6-30.1175.300000113.8H441 C443 M447H441-A445 PolarHBondContact O-N 3.16Å; C443-A445 VanDerWaalsContact C-N 3.28Å; C443-A445 PolarHBondContact O-N 3.36Å; A445-M447 PolarHBondContact O-N 3.37Å
446R87.7Confident93.3Very high144 Ų14455 Ų5554%0.54327%0.269SS..G310 helixtrans-73.5-6.5176.6-71.9-169.7-96.1170.3-6.9114.7D340 C443 T444 E448D340-R446 IonicContact OD1-CZ 3.66Å; D340-R446 IonicContact OD1-NH1 2.82Å; D340-R446 PolarHBondContact OD1-NH1 2.99Å; D340-R446 IonicContact OD1-NH2 3.96Å; D340-R446 PolarHBondContact OD1-NH2 3.2Å; D340-R446 IonicContact OD2-CZ 3.62Å; D340-R446 IonicContact OD2-NE 3.86Å; D340-R446 IonicContact OD2-NH1 3.21Å; D340-R446 PolarHBondContact OD2-NH1 3.48Å; D340-R446 IonicContact OD2-NH2 3.12Å; D340-R446 PolarHBondContact OD2-NH2 2.81Å; C443-R446 PolarHBondContact O-N 3.5Å; T444-R446 PolarHBondContact O-N 2.96Å; R446-E448 VanDerWaalsContact C-N 3.27Å; R446-E448 PolarHBondContact O-N 3.12Å
447M91.3Very high93.2Very high7 Ų755.1 Ų55.13%0.03427%0.269CS..G310 helixtrans-9222.9178.1-55.71735700112.1T333 F337 T444 A445 N449 F450 L453 R454 T457T333-M447 HydrophobicContact CG2-CB 4.26Å; T333-M447 HydrophobicContact CG2-CE 3.72Å; T333-M447 HydrophobicContact CG2-CG 3.75Å; T333-M447 HydrophobicContact CG2-SD 4.29Å; F337-M447 HydrophobicContact CB-SD 4.06Å; F337-M447 HydrophobicContact CD2-SD 4.19Å; F337-M447 HydrophobicContact CG-SD 4.22Å; T444-M447 HydrophobicContact CG2-SD 4.42Å; T444-M447 VanDerWaalsContact O-CB 3.29Å; T444-M447 WeakPolarHBondContact O-CB 3.3Å; T444-M447 PolarHBondContact O-N 2.93Å; A445-M447 PolarHBondContact O-N 3.37Å; M447-N449 PolarHBondContact O-N 3.2Å; M447-N449 VanDerWaalsContact O-N 3.08Å; M447-F450 CarbonylContact O-C 3.54Å; M447-F450 PolarHBondContact O-N 3.33Å; M447-L453 HydrophobicContact CE-CB 4.4Å; M447-L453 HydrophobicContact CE-CD1 4.42Å; M447-L453 HydrophobicContact CE-CD2 3.65Å; M447-L453 HydrophobicContact CE-CG 3.48Å; M447-L453 VanDerWaalsContact CE-CG 3.48Å; M447-R454 HydrophobicContact CB-CB 3.93Å; M447-R454 HydrophobicContact CB-CG 4.29Å; M447-T457 HydrophobicContact CE-CG2 4.37Å; M447-T457 WeakPolarHBondContact CE-OG1 3.41Å; M447-T457 HydrophobicContact SD-CG2 4.29Å
448E86.8Confident93.2Very high130 Ų13054.5 Ų54.561%0.60726%0.263SS*.THydrogen-bonded Turntrans-57-25.8-174.765.4175.8-177.600114.9R446 F450R446-E448 VanDerWaalsContact C-N 3.27Å; R446-E448 PolarHBondContact O-N 3.12Å; E448-F450 PolarHBondContact O-N 3.29Å
449N85Confident93.2Very high73 Ų7354.7 Ų54.739%0.3926%0.259SS..THydrogen-bonded Turntrans-64-25.6176.8-65.6-28.8000112.3M447 E711 S712 V715M447-N449 PolarHBondContact O-N 3.2Å; M447-N449 VanDerWaalsContact O-N 3.08Å; N449-E711 WeakPolarHBondContact O-CA 3.44Å; N449-S712 PolarHBondContact O-N 3Å; N449-V715 HydrophobicContact CB-CG2 4.49Å; N449-V715 WeakPolarHBondContact OD1-CG2 3.31Å
450F89.5Confident93.2Very high29 Ų2954.9 Ų54.913%0.12726%0.259CS..SBendtrans-129.677.4-178.2-55.5-65.3000109.9A329 M447 E448 R452 L453 R454 M709A329-F450 HydrophobicContact CB-CZ 4.37Å; M447-F450 CarbonylContact O-C 3.54Å; M447-F450 PolarHBondContact O-N 3.33Å; E448-F450 PolarHBondContact O-N 3.29Å; F450-R452 VanDerWaalsContact C-N 3.3Å; F450-R452 PolarHBondContact O-N 3.27Å; F450-L453 HydrophobicContact CB-CB 3.73Å; F450-L453 HydrophobicContact CB-CD2 4.23Å; F450-L453 HydrophobicContact CD2-CD2 4.46Å; F450-L453 WeakPolarHBondContact O-CB 3.31Å; F450-L453 PolarHBondContact O-N 3.3Å; F450-L453 VanDerWaalsContact O-N 3.12Å; F450-R454 PolarHBondContact O-N 3.4Å; F450-M709 HydrophobicContact CD1-CE 3.91Å; F450-M709 HydrophobicContact CD2-CE 3.95Å; F450-M709 HydrophobicContact CE1-CE 3.67Å; F450-M709 HydrophobicContact CE2-CE 3.71Å; F450-M709 HydrophobicContact CG-CE 4.05Å; F450-M709 HydrophobicContact CG-SD 4.46Å; F450-M709 HydrophobicContact CZ-CE 3.57Å
451P90.8Very high93.2Very high33 Ų3354.9 Ų54.921%0.21426%0.259CS..Hα-helixtrans-60.1-36.4-17121.6-33.2000113.5R454 E455P451-R454 WeakPolarHBondContact O-CB 3.47Å; P451-R454 PolarHBondContact O-N 2.94Å; P451-E455 WeakPolarHBondContact O-CG 3.45Å; P451-E455 PolarHBondContact O-N 3.47Å
452R90.6Very high93.3Very high134 Ų13452.3 Ų52.351%0.50625%0.249SC..Hα-helixtrans-68.2-43.8176-72-176174.6-174.14.8112.2F450 R454 E455 E456 S707F450-R452 VanDerWaalsContact C-N 3.3Å; F450-R452 PolarHBondContact O-N 3.27Å; R452-R454 VanDerWaalsContact C-N 3.3Å; R452-R454 PolarHBondContact O-N 3.03Å; R452-E455 PolarHBondContact O-N 3.2Å; R452-E456 VanDerWaalsContact O-CB 3.31Å; R452-E456 WeakPolarHBondContact O-CB 3.22Å; R452-E456 PolarHBondContact O-N 3.45Å; R452-S707 WeakPolarHBondContact CD-O 3.34Å; R452-S707 PolarHBondContact NH1-OG 3.28Å
453L94Very high93.4Very high0 Ų054.2 Ų54.20%025%0.248CC..Hα-helixtrans-60.6-42.1174.2178.764.2000111.2L330 T333 M447 F450 T457 L699 L708 M709L330-L453 HydrophobicContact CD1-CD1 3.34Å; L330-L453 HydrophobicContact CD1-CD2 3.76Å; L330-L453 HydrophobicContact CD1-CG 4.19Å; T333-L453 HydrophobicContact CG2-CD2 3.96Å; M447-L453 HydrophobicContact CE-CB 4.4Å; M447-L453 HydrophobicContact CE-CD1 4.42Å; M447-L453 HydrophobicContact CE-CD2 3.65Å; M447-L453 HydrophobicContact CE-CG 3.48Å; M447-L453 VanDerWaalsContact CE-CG 3.48Å; F450-L453 HydrophobicContact CB-CB 3.73Å; F450-L453 HydrophobicContact CB-CD2 4.23Å; F450-L453 HydrophobicContact CD2-CD2 4.46Å; F450-L453 WeakPolarHBondContact O-CB 3.31Å; F450-L453 PolarHBondContact O-N 3.3Å; F450-L453 VanDerWaalsContact O-N 3.12Å; L453-T457 VanDerWaalsContact O-CB 3.24Å; L453-T457 WeakPolarHBondContact O-CB 3.37Å; L453-T457 PolarHBondContact O-N 3.01Å; L453-T457 PolarHBondContact O-OG1 3.27Å; L453-L699 HydrophobicContact CD1-CD1 4.03Å; L453-L699 HydrophobicContact CD1-CD2 3.94Å; L453-L708 WeakPolarHBondContact CB-O 3.43Å; L453-L708 PolarHBondContact N-O 3.46Å; L453-M709 HydrophobicContact CD2-SD 3.82Å
454R94.9Very high93.5Very high78 Ų7856.4 Ų56.429%0.29426%0.256SS..Hα-helixtrans-56.7-56.6175.6178.5-171.970.4177.61.9111.3T444 M447 F450 P451 R452 E456 T457 E458T444-R454 WeakPolarHBondContact O-CD 3.43Å; T444-R454 VanDerWaalsContact O-CG 3.28Å; T444-R454 WeakPolarHBondContact O-CG 3.35Å; M447-R454 HydrophobicContact CB-CB 3.93Å; M447-R454 HydrophobicContact CB-CG 4.29Å; F450-R454 PolarHBondContact O-N 3.4Å; P451-R454 WeakPolarHBondContact O-CB 3.47Å; P451-R454 PolarHBondContact O-N 2.94Å; R452-R454 VanDerWaalsContact C-N 3.3Å; R452-R454 PolarHBondContact O-N 3.03Å; R454-E456 VanDerWaalsContact C-N 3.31Å; R454-E456 PolarHBondContact O-N 2.88Å; R454-T457 PolarHBondContact O-N 3.29Å; R454-E458 WeakPolarHBondContact O-CB 3.35Å; R454-E458 PolarHBondContact O-N 2.83Å
455E93.8Very high93.6Very high112 Ų11256.5 Ų56.552%0.52326%0.257SS..Hα-helixtrans-58.8-43.8-178.4-74.4166.6-16500111.5P451 R452 E458 R459P451-E455 WeakPolarHBondContact O-CG 3.45Å; P451-E455 PolarHBondContact O-N 3.47Å; R452-E455 PolarHBondContact O-N 3.2Å; E455-E458 PolarHBondContact O-N 2.95Å; E455-R459 VanDerWaalsContact O-CB 3.27Å; E455-R459 WeakPolarHBondContact O-CB 3.48Å; E455-R459 PolarHBondContact O-N 3.38Å
456E94.7Very high93.9Very high36 Ų3662.5 Ų62.517%0.16827%0.269CS..Hα-helixtrans-69.8-38.8-179.1-166.756-152.600112.3R452 R454 R459 I460 L699 A702 L708R452-E456 VanDerWaalsContact O-CB 3.31Å; R452-E456 WeakPolarHBondContact O-CB 3.22Å; R452-E456 PolarHBondContact O-N 3.45Å; R454-E456 VanDerWaalsContact C-N 3.31Å; R454-E456 PolarHBondContact O-N 2.88Å; E456-R459 PolarHBondContact O-N 3.31Å; E456-R459 IonicContact OE1-CZ 3.17Å; E456-R459 IonicContact OE1-NE 2.7Å; E456-R459 PolarHBondContact OE1-NE 3.4Å; E456-R459 IonicContact OE1-NH2 3.18Å; E456-R459 PolarHBondContact OE1-NH2 3.31Å; E456-R459 IonicContact OE2-NE 3.36Å; E456-R459 PolarHBondContact OE2-NE 3.36Å; E456-I460 HydrophobicContact CG-CD1 3.94Å; E456-I460 WeakPolarHBondContact O-CB 3.45Å; E456-I460 WeakPolarHBondContact O-CD1 3.42Å; E456-I460 VanDerWaalsContact O-CG1 3.23Å; E456-I460 WeakPolarHBondContact O-CG1 3.48Å; E456-I460 PolarHBondContact O-N 2.96Å; E456-L699 HydrophobicContact CB-CD2 4.25Å; E456-L699 HydrophobicContact CG-CD2 4.03Å; E456-A702 HydrophobicContact CG-CB 3.71Å; E456-A702 WeakPolarHBondContact OE1-CB 3.42Å; E456-L708 HydrophobicContact CB-CD2 3.81Å; E456-L708 HydrophobicContact CG-CD2 3.94Å
457T96.5Very high94.3Very high1 Ų159.2 Ų59.21%0.00626%0.259CS..Hα-helixtrans-60.9-49.7173.8-59.80000110.6F337 T444 M447 L453 R454 R459 I460 V461 L695F337-T457 HydrophobicContact CD1-CG2 3.85Å; F337-T457 HydrophobicContact CE1-CG2 3.68Å; F337-T457 HydrophobicContact CE2-CG2 4.49Å; F337-T457 HydrophobicContact CG-CG2 4.32Å; F337-T457 HydrophobicContact CZ-CG2 4.04Å; T444-T457 HydrophobicContact CG2-CG2 4.11Å; M447-T457 HydrophobicContact CE-CG2 4.37Å; M447-T457 WeakPolarHBondContact CE-OG1 3.41Å; M447-T457 HydrophobicContact SD-CG2 4.29Å; L453-T457 VanDerWaalsContact O-CB 3.24Å; L453-T457 WeakPolarHBondContact O-CB 3.37Å; L453-T457 PolarHBondContact O-N 3.01Å; L453-T457 PolarHBondContact O-OG1 3.27Å; R454-T457 PolarHBondContact O-N 3.29Å; T457-R459 VanDerWaalsContact C-N 3.35Å; T457-R459 PolarHBondContact O-N 2.94Å; T457-I460 PolarHBondContact O-N 2.85Å; T457-V461 HydrophobicContact CG2-CG2 4.45Å; T457-V461 VanDerWaalsContact O-CG2 3.24Å; T457-V461 WeakPolarHBondContact O-CG2 3.43Å; T457-V461 PolarHBondContact O-N 3.11Å; T457-L695 HydrophobicContact CG2-CD1 4.32Å; T457-L695 HydrophobicContact CG2-CD2 4.08Å
458E96.8Very high94.6Very high41 Ų4161 Ų6119%0.19227%0.266CS..Hα-helixtrans-61-44.2179.2-170.8164.4169.100111.7V440 H441 T444 R454 E455 N462V440-E458 HydrophobicContact CG1-CG 4.3Å; H441-E458 IonicContact CE1-OE1 2.78Å; H441-E458 IonicContact CG-OE1 3.14Å; H441-E458 IonicContact ND1-OE1 2.69Å; H441-E458 PolarHBondContact ND1-OE1 2.97Å; H441-E458 IonicContact ND1-OE2 2.62Å; T444-E458 HydrophobicContact CG2-CB 3.98Å; T444-E458 PolarHBondContact OG1-OE2 3.44Å; R454-E458 WeakPolarHBondContact O-CB 3.35Å; R454-E458 PolarHBondContact O-N 2.83Å; E455-E458 PolarHBondContact O-N 2.95Å; E458-N462 WeakPolarHBondContact CG-ND2 3.41Å; E458-N462 VanDerWaalsContact O-CB 3.25Å; E458-N462 WeakPolarHBondContact O-CB 3.46Å; E458-N462 PolarHBondContact O-N 3.24Å; E458-N462 PolarHBondContact O-ND2 3.41Å
459R96.5Very high95.1Very high119 Ų11956.6 Ų56.645%0.44925%0.245SC..Hα-helixtrans-59.8-50.3177.5-169.6-165.172.168.6-0.4111.9E455 E456 T457 Q463E455-R459 VanDerWaalsContact O-CB 3.27Å; E455-R459 WeakPolarHBondContact O-CB 3.48Å; E455-R459 PolarHBondContact O-N 3.38Å; E456-R459 PolarHBondContact O-N 3.31Å; E456-R459 IonicContact OE1-CZ 3.17Å; E456-R459 IonicContact OE1-NE 2.7Å; E456-R459 PolarHBondContact OE1-NE 3.4Å; E456-R459 IonicContact OE1-NH2 3.18Å; E456-R459 PolarHBondContact OE1-NH2 3.31Å; E456-R459 IonicContact OE2-NE 3.36Å; E456-R459 PolarHBondContact OE2-NE 3.36Å; T457-R459 VanDerWaalsContact C-N 3.35Å; T457-R459 PolarHBondContact O-N 2.94Å; R459-Q463 WeakPolarHBondContact O-CB 3.43Å; R459-Q463 PolarHBondContact O-N 3.46Å
460I96.9Very high95.7Very high12 Ų1257.4 Ų57.46%0.06225%0.249CC..Hα-helixtrans-62.5-46.7-178.6-71.6166.4000110.7E456 T457 Q463 W464 F690 L695 N698 L699 A702E456-I460 HydrophobicContact CG-CD1 3.94Å; E456-I460 WeakPolarHBondContact O-CB 3.45Å; E456-I460 WeakPolarHBondContact O-CD1 3.42Å; E456-I460 VanDerWaalsContact O-CG1 3.23Å; E456-I460 WeakPolarHBondContact O-CG1 3.48Å; E456-I460 PolarHBondContact O-N 2.96Å; T457-I460 PolarHBondContact O-N 2.85Å; I460-Q463 PolarHBondContact O-N 2.9Å; I460-W464 PolarHBondContact O-N 2.92Å; I460-F690 HydrophobicContact CG2-CE1 3.99Å; I460-F690 HydrophobicContact CG2-CZ 3.61Å; I460-L695 HydrophobicContact CB-CD1 4.45Å; I460-L695 HydrophobicContact CG2-CD1 3.97Å; I460-N698 HydrophobicContact CD1-CB 4.18Å; I460-N698 HydrophobicContact CG2-CB 4.03Å; I460-L699 HydrophobicContact CD1-CD2 3.77Å; I460-L699 HydrophobicContact CD1-CG 4.18Å; I460-A702 HydrophobicContact CD1-CB 4.15Å
461V98.1Very high96.1Very high0 Ų061.4 Ų61.40%026%0.263CS..Hα-helixtrans-67.8-43.3-177.9179.40000111F337 V440 T457 Q463 W464 I465 F690 L691 L695F337-V461 HydrophobicContact CE1-CG2 4.02Å; F337-V461 HydrophobicContact CZ-CG2 4.26Å; V440-V461 HydrophobicContact CB-CG1 4.47Å; V440-V461 HydrophobicContact CG1-CB 4.13Å; V440-V461 HydrophobicContact CG1-CG1 4Å; V440-V461 HydrophobicContact CG2-CG1 3.55Å; T457-V461 HydrophobicContact CG2-CG2 4.45Å; T457-V461 VanDerWaalsContact O-CG2 3.24Å; T457-V461 WeakPolarHBondContact O-CG2 3.43Å; T457-V461 PolarHBondContact O-N 3.11Å; V461-Q463 VanDerWaalsContact C-N 3.34Å; V461-Q463 PolarHBondContact O-N 3.18Å; V461-W464 WeakPolarHBondContact O-CB 3.4Å; V461-W464 PolarHBondContact O-N 3.38Å; V461-I465 HydrophobicContact CG1-CD1 4.15Å; V461-I465 WeakPolarHBondContact O-CG1 3.26Å; V461-I465 PolarHBondContact O-N 3.33Å; V461-F690 HydrophobicContact CG2-CE1 4.3Å; V461-L691 HydrophobicContact CG1-CD2 4.22Å; V461-L691 HydrophobicContact CG2-CD2 3.62Å; V461-L695 HydrophobicContact CG2-CD1 3.99Å; V461-L695 HydrophobicContact CG2-CD2 4.4Å
462N97.7Very high96.4Very high40 Ų4059.9 Ų59.921%0.21425%0.253CS..Hα-helixtrans-66-35.8177.3-76.2-29.5000112.6E458 I465 R466E458-N462 WeakPolarHBondContact CG-ND2 3.41Å; E458-N462 VanDerWaalsContact O-CB 3.25Å; E458-N462 WeakPolarHBondContact O-CB 3.46Å; E458-N462 PolarHBondContact O-N 3.24Å; E458-N462 PolarHBondContact O-ND2 3.41Å; N462-I465 PolarHBondContact O-N 2.88Å; N462-R466 PolarHBondContact O-N 3.06Å; N462-R466 VanDerWaalsContact O-N 3.11Å
463Q97.1Very high96.8Very high95 Ų9557.9 Ų57.944%0.44425%0.245SC..Hα-helixtrans-61-46.2171.2-178.2178.9-15.400111R459 I460 V461 I465 R466 E467R459-Q463 WeakPolarHBondContact O-CB 3.43Å; R459-Q463 PolarHBondContact O-N 3.46Å; I460-Q463 PolarHBondContact O-N 2.9Å; V461-Q463 VanDerWaalsContact C-N 3.34Å; V461-Q463 PolarHBondContact O-N 3.18Å; Q463-I465 PolarHBondContact O-N 3.02Å; Q463-R466 PolarHBondContact O-N 3.28Å; Q463-E467 PolarHBondContact NE2-OE1 3.25Å; Q463-E467 PolarHBondContact O-N 3.41Å
464W97.1Very high97Very high51 Ų5162.5 Ų62.519%0.19327%0.27CS..Hα-helixtrans-60.8-43.3176.8-174-97.6000112.4I460 V461 R466 E467 R468 F690I460-W464 PolarHBondContact O-N 2.92Å; V461-W464 WeakPolarHBondContact O-CB 3.4Å; V461-W464 PolarHBondContact O-N 3.38Å; W464-R466 VanDerWaalsContact C-N 3.3Å; W464-R466 PolarHBondContact O-N 2.95Å; W464-E467 PolarHBondContact O-N 2.76Å; W464-R468 HydrophobicContact CG-CG 4.5Å; W464-R468 VanDerWaalsContact O-CG 3.25Å; W464-R468 WeakPolarHBondContact O-CG 3.45Å; W464-R468 PolarHBondContact O-N 3.46Å; W464-F690 HydrophobicContact CB-CD1 4.36Å; W464-F690 HydrophobicContact CB-CE1 4.2Å; W464-F690 HydrophobicContact CB-CZ 4.32Å; W464-F690 AromaticContact CD1-CG 3.83Å; W464-F690 HydrophobicContact CD2-CB 4.33Å; W464-F690 HydrophobicContact CD2-CD1 4.35Å; W464-F690 AromaticContact CD2-CD2 3.43Å; W464-F690 HydrophobicContact CD2-CD2 3.43Å; W464-F690 VanDerWaalsContact CD2-CD2 3.43Å; W464-F690 AromaticContact CD2-CE2 3.75Å; W464-F690 HydrophobicContact CD2-CE2 3.75Å; W464-F690 AromaticContact CD2-CG 3.78Å; W464-F690 HydrophobicContact CD2-CG 3.78Å; W464-F690 HydrophobicContact CD2-CZ 4.34Å; W464-F690 AromaticContact CE2-CD2 3.44Å; W464-F690 VanDerWaalsContact CE2-CD2 3.44Å; W464-F690 AromaticContact CE2-CG 3.63Å; W464-F690 AromaticContact CE3-CD2 3.63Å; W464-F690 HydrophobicContact CE3-CD2 3.63Å; W464-F690 AromaticContact CE3-CE2 3.58Å; W464-F690 HydrophobicContact CE3-CE2 3.58Å; W464-F690 HydrophobicContact CE3-CG 4.42Å; W464-F690 HydrophobicContact CE3-CZ 4.34Å; W464-F690 HydrophobicContact CG-CB 4.46Å; W464-F690 HydrophobicContact CG-CD1 4.02Å; W464-F690 AromaticContact CG-CD2 3.97Å; W464-F690 HydrophobicContact CG-CD2 3.97Å; W464-F690 HydrophobicContact CG-CE1 4.27Å; W464-F690 HydrophobicContact CG-CE2 4.23Å; W464-F690 AromaticContact CG-CG 3.88Å; W464-F690 HydrophobicContact CG-CG 3.88Å; W464-F690 HydrophobicContact CG-CZ 4.37Å; W464-F690 AromaticContact CH2-CD2 3.76Å; W464-F690 HydrophobicContact CH2-CD2 3.76Å; W464-F690 HydrophobicContact CH2-CE2 4.31Å; W464-F690 HydrophobicContact CZ2-CB 3.98Å; W464-F690 AromaticContact CZ2-CD2 3.61Å; W464-F690 HydrophobicContact CZ2-CD2 3.61Å; W464-F690 HydrophobicContact CZ2-CE2 4.49Å; W464-F690 HydrophobicContact CZ2-CG 4.1Å; W464-F690 AromaticContact CZ3-CD2 3.8Å; W464-F690 HydrophobicContact CZ3-CD2 3.8Å; W464-F690 AromaticContact CZ3-CE2 3.89Å; W464-F690 HydrophobicContact CZ3-CE2 3.89Å; W464-F690 AromaticContact NE1-CG 3.69Å
465I98.1Very high97.2Very high3 Ų362.8 Ų62.82%0.01528%0.275CS..Hα-helixtrans-55-47.5175.6-71.4170.5000110.4V433 L436 V440 V461 N462 Q463 E467 R468 E469 I687V433-I465 HydrophobicContact CG1-CG2 3.84Å; L436-I465 HydrophobicContact CB-CD1 4.25Å; V440-I465 HydrophobicContact CG2-CD1 3.86Å; V461-I465 HydrophobicContact CG1-CD1 4.15Å; V461-I465 WeakPolarHBondContact O-CG1 3.26Å; V461-I465 PolarHBondContact O-N 3.33Å; N462-I465 PolarHBondContact O-N 2.88Å; Q463-I465 PolarHBondContact O-N 3.02Å; I465-E467 PolarHBondContact O-N 3.27Å; I465-R468 PolarHBondContact O-N 3.44Å; I465-R468 VanDerWaalsContact O-N 3.16Å; I465-E469 WeakPolarHBondContact O-CB 3.28Å; I465-E469 PolarHBondContact O-N 2.81Å; I465-I687 HydrophobicContact CD1-CD1 4.25Å; I465-I687 HydrophobicContact CG1-CD1 3.63Å; I465-I687 HydrophobicContact CG1-CG1 4.05Å
466R97.1Very high97.4Very high175 Ų17557.5 Ų57.566%0.6625%0.25SC*.Hα-helixtrans-66.7-37-178.9-170.5157.9-178.4143.80113.3N462 Q463 W464 R468 E469 I470N462-R466 PolarHBondContact O-N 3.06Å; N462-R466 VanDerWaalsContact O-N 3.11Å; Q463-R466 PolarHBondContact O-N 3.28Å; W464-R466 VanDerWaalsContact C-N 3.3Å; W464-R466 PolarHBondContact O-N 2.95Å; R466-R468 VanDerWaalsContact C-N 3.28Å; R466-R468 PolarHBondContact O-N 2.85Å; R466-E469 WeakPolarHBondContact O-CB 3.38Å; R466-E469 PolarHBondContact O-N 3.35Å; R466-I470 WeakPolarHBondContact O-CG1 3.4Å; R466-I470 PolarHBondContact O-N 2.85Å
467E96.7Very high97.5Very high74 Ų7457.9 Ų57.935%0.34625%0.254SS..Hα-helixtrans-66.4-31.4173.5-70.6178-161.600112.6Q463 W464 I465 R471Q463-E467 PolarHBondContact NE2-OE1 3.25Å; Q463-E467 PolarHBondContact O-N 3.41Å; W464-E467 PolarHBondContact O-N 2.76Å; I465-E467 PolarHBondContact O-N 3.27Å; E467-R471 PolarHBondContact O-NH1 3.44Å; E467-R471 VanDerWaalsContact O-NH1 3.12Å
468R97.3Very high97.6Very high46 Ų4661.5 Ų61.517%0.17427%0.274CS..Hα-helixtrans-79.2-36.7176.1-64.1-69.2157.2170.22.5112.1W464 I465 R466 I470 R471 A472 L683 E686W464-R468 HydrophobicContact CG-CG 4.5Å; W464-R468 VanDerWaalsContact O-CG 3.25Å; W464-R468 WeakPolarHBondContact O-CG 3.45Å; W464-R468 PolarHBondContact O-N 3.46Å; I465-R468 PolarHBondContact O-N 3.44Å; I465-R468 VanDerWaalsContact O-N 3.16Å; R466-R468 VanDerWaalsContact C-N 3.28Å; R466-R468 PolarHBondContact O-N 2.85Å; R468-I470 PolarHBondContact O-N 3.08Å; R468-R471 PolarHBondContact O-N 2.94Å; R468-A472 WeakPolarHBondContact O-CB 3.4Å; R468-A472 PolarHBondContact O-N 2.8Å; R468-L683 VanDerWaalsContact C-CD2 3.49Å; R468-L683 HydrophobicContact CB-CD2 3.72Å; R468-E686 IonicContact CZ-OE2 3.04Å; R468-E686 VanDerWaalsContact CZ-OE2 3.25Å; R468-E686 IonicContact NE-OE2 3.5Å; R468-E686 IonicContact NH1-OE2 2.92Å; R468-E686 PolarHBondContact NH1-OE2 2.8Å; R468-E686 IonicContact NH2-OE2 3.44Å
469E97.7Very high97.6Very high37 Ų3761.1 Ų61.117%0.17327%0.272CS..Hα-helixtrans-53.6-51.2172.6174.2-170.1175.300111.3V433 I465 R466 R471 A472 R473V433-E469 HydrophobicContact CG2-CB 3.92Å; V433-E469 HydrophobicContact CG2-CG 3.87Å; I465-E469 WeakPolarHBondContact O-CB 3.28Å; I465-E469 PolarHBondContact O-N 2.81Å; R466-E469 WeakPolarHBondContact O-CB 3.38Å; R466-E469 PolarHBondContact O-N 3.35Å; E469-R471 VanDerWaalsContact C-N 3.31Å; E469-R471 PolarHBondContact O-N 3.34Å; E469-A472 PolarHBondContact O-N 3.31Å; E469-A472 VanDerWaalsContact O-N 3.15Å; E469-R473 HydrophobicContact CG-CG 4.36Å; E469-R473 VanDerWaalsContact O-CG 3.3Å; E469-R473 WeakPolarHBondContact O-CG 3.27Å; E469-R473 PolarHBondContact O-N 2.85Å
470I97.7Very high97.6Very high90 Ų9055.4 Ų55.446%0.46225%0.251SS..Hα-helixtrans-55.7-48.9-179.5-66.2165.3000110.4R466 R468 A472 R473 D474R466-I470 WeakPolarHBondContact O-CG1 3.4Å; R466-I470 PolarHBondContact O-N 2.85Å; R468-I470 PolarHBondContact O-N 3.08Å; I470-A472 PolarHBondContact O-N 3.5Å; I470-R473 PolarHBondContact O-N 3.35Å; I470-D474 PolarHBondContact O-N 2.85Å; I470-D474 VanDerWaalsContact O-N 3.12Å
471R97.9Very high97.6Very high113 Ų11357.6 Ų57.643%0.42626%0.263SS..Hα-helixtrans-63-42.2178.6-64.7-175.1-176.197.9-8.3112.1E467 R468 E469 R473 D474 Q475 M682E467-R471 PolarHBondContact O-NH1 3.44Å; E467-R471 VanDerWaalsContact O-NH1 3.12Å; R468-R471 PolarHBondContact O-N 2.94Å; E469-R471 VanDerWaalsContact C-N 3.31Å; E469-R471 PolarHBondContact O-N 3.34Å; R471-R473 VanDerWaalsContact C-N 3.34Å; R471-D474 PolarHBondContact O-N 2.76Å; R471-Q475 WeakPolarHBondContact O-CG 3.27Å; R471-Q475 PolarHBondContact O-N 3.38Å; R471-Q475 VanDerWaalsContact O-N 3.15Å; R471-M682 HydrophobicContact CB-CE 3.82Å
472A98.2Very high97.6Very high0 Ų062.1 Ų62.10%029%0.286CS..Hα-helixtrans-64.3-39.4179.100000111.8R468 E469 I470 Q475 I476 L678 L679 M682 L683R468-A472 WeakPolarHBondContact O-CB 3.4Å; R468-A472 PolarHBondContact O-N 2.8Å; E469-A472 PolarHBondContact O-N 3.31Å; E469-A472 VanDerWaalsContact O-N 3.15Å; I470-A472 PolarHBondContact O-N 3.5Å; A472-Q475 PolarHBondContact O-N 3.1Å; A472-I476 WeakPolarHBondContact O-CG1 3.44Å; A472-I476 PolarHBondContact O-N 3.38Å; A472-L678 HydrophobicContact CB-CD2 4.17Å; A472-L679 HydrophobicContact CB-CD2 4.2Å; A472-M682 HydrophobicContact CB-CB 4.17Å; A472-M682 HydrophobicContact CB-CE 4.47Å; A472-M682 HydrophobicContact CB-SD 4.41Å; A472-L683 HydrophobicContact CB-CD2 3.98Å; A472-L683 HydrophobicContact CB-CG 4.2Å
473R98.1Very high97.5Very high93 Ų9362 Ų6235%0.35128%0.284SS..Hα-helixtrans-62.8-44.1176.3-69.4173.580.7-114.81.8111.5L426 E469 I470 R471 Q475 I476 V477L426-R473 HydrophobicContact CD2-CB 3.77Å; L426-R473 HydrophobicContact CD2-CG 3.86Å; E469-R473 HydrophobicContact CG-CG 4.36Å; E469-R473 VanDerWaalsContact O-CG 3.3Å; E469-R473 WeakPolarHBondContact O-CG 3.27Å; E469-R473 PolarHBondContact O-N 2.85Å; I470-R473 PolarHBondContact O-N 3.35Å; R471-R473 VanDerWaalsContact C-N 3.34Å; R473-Q475 VanDerWaalsContact C-N 3.3Å; R473-Q475 PolarHBondContact O-N 2.77Å; R473-I476 PolarHBondContact O-N 3Å; R473-V477 WeakPolarHBondContact O-CG2 3.36Å; R473-V477 PolarHBondContact O-N 2.8Å
474D98.1Very high97.4Very high97 Ų9758.7 Ų58.752%0.51927%0.27SS..Hα-helixtrans-59.8-41.4175.9-66.7-20.1000111.7I470 R471 V477 L478I470-D474 PolarHBondContact O-N 2.85Å; I470-D474 VanDerWaalsContact O-N 3.12Å; R471-D474 PolarHBondContact O-N 2.76Å; D474-V477 PolarHBondContact O-N 2.88Å; D474-L478 WeakPolarHBondContact O-CB 3.41Å; D474-L478 PolarHBondContact O-N 2.92Å
475Q98.1Very high97.3Very high84 Ų8461 Ų6139%0.39329%0.293SS..Hα-helixtrans-70.2-34.4177.4-62.3-54.5-58.600112.8R471 A472 R473 L478 L479 L678 M682R471-Q475 WeakPolarHBondContact O-CG 3.27Å; R471-Q475 PolarHBondContact O-N 3.38Å; R471-Q475 VanDerWaalsContact O-N 3.15Å; A472-Q475 PolarHBondContact O-N 3.1Å; R473-Q475 VanDerWaalsContact C-N 3.3Å; R473-Q475 PolarHBondContact O-N 2.77Å; Q475-L478 PolarHBondContact O-N 2.82Å; Q475-L479 WeakPolarHBondContact O-CG 3.49Å; Q475-L479 PolarHBondContact O-N 2.6Å; Q475-L678 HydrophobicContact CB-CD1 3.68Å; Q475-L678 HydrophobicContact CB-CD2 4.39Å; Q475-L678 HydrophobicContact CB-CG 4.34Å; Q475-M682 HydrophobicContact CB-CE 4.38Å; Q475-M682 HydrophobicContact CB-SD 3.84Å; Q475-M682 HydrophobicContact CG-CE 3.61Å; Q475-M682 HydrophobicContact CG-SD 3.58Å; Q475-M682 VanDerWaalsContact CG-SD 3.58Å
476I98.1Very high97.1Very high0 Ų067.9 Ų67.90%032%0.32CS..Hα-helixtrans-63.7-42.7172.6-73.6168.5000111S425 L426 A429 A472 R473 L478 L479 V480 V675 L678 L679S425-I476 VanDerWaalsContact CB-CG2 3.47Å; L426-I476 HydrophobicContact CD2-CB 4.37Å; L426-I476 HydrophobicContact CD2-CG2 4.11Å; L426-I476 HydrophobicContact CG-CG2 4.32Å; A429-I476 HydrophobicContact CB-CD1 3.86Å; A472-I476 WeakPolarHBondContact O-CG1 3.44Å; A472-I476 PolarHBondContact O-N 3.38Å; R473-I476 PolarHBondContact O-N 3Å; I476-L478 VanDerWaalsContact C-N 3.34Å; I476-L479 WeakPolarHBondContact O-CB 3.42Å; I476-L479 PolarHBondContact O-N 3.24Å; I476-V480 PolarHBondContact O-N 2.88Å; I476-V675 HydrophobicContact CD1-CG1 4.36Å; I476-L678 HydrophobicContact CD1-CD2 4.35Å; I476-L678 HydrophobicContact CG1-CD1 4.21Å; I476-L678 HydrophobicContact CG1-CD2 3.91Å; I476-L679 HydrophobicContact CD1-CD1 4.46Å; I476-L679 HydrophobicContact CD1-CD2 3.91Å; I476-L679 HydrophobicContact CD1-CG 4.24Å
477V98.2Very high96.7Very high44 Ų4460.6 Ų60.627%0.26729%0.294SS..Hα-helixtrans-62.5-45175.91730000110.2L426 R473 D474 L479 V480 D481L426-V477 HydrophobicContact CD1-CG2 4.31Å; L426-V477 HydrophobicContact CD2-CG2 4.28Å; R473-V477 WeakPolarHBondContact O-CG2 3.36Å; R473-V477 PolarHBondContact O-N 2.8Å; D474-V477 PolarHBondContact O-N 2.88Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 3.43Å; V477-V480 PolarHBondContact O-N 3.32Å; V477-D481 WeakPolarHBondContact CG1-OD2 3.46Å; V477-D481 PolarHBondContact O-N 3.15Å
478L97.7Very high96.5Very high78 Ų7859.6 Ų59.641%0.40829%0.291SS..Hα-helixtrans-58.2-40.1175.5179.461.6000112.4D474 Q475 I476 V480 D481 I482D474-L478 WeakPolarHBondContact O-CB 3.41Å; D474-L478 PolarHBondContact O-N 2.92Å; Q475-L478 PolarHBondContact O-N 2.82Å; I476-L478 VanDerWaalsContact C-N 3.34Å; L478-V480 VanDerWaalsContact C-N 3.25Å; L478-V480 PolarHBondContact O-N 2.92Å; L478-D481 PolarHBondContact O-N 2.76Å; L478-I482 HydrophobicContact CD1-CD1 4.23Å; L478-I482 HydrophobicContact CD1-CG1 4.15Å; L478-I482 HydrophobicContact CG-CD1 3.98Å; L478-I482 HydrophobicContact CG-CG1 4.38Å; L478-I482 VanDerWaalsContact O-CG1 3.28Å; L478-I482 WeakPolarHBondContact O-CG1 3.3Å; L478-I482 PolarHBondContact O-N 2.8Å
479L96.7Very high96Very high32 Ų3260.5 Ų60.517%0.16830%0.302CS..Hα-helixtrans-58.2-38.9175.3-76.3-179.1000112Q475 I476 V477 Q483 Q671 L674 V675 L678Q475-L479 WeakPolarHBondContact O-CG 3.49Å; Q475-L479 PolarHBondContact O-N 2.6Å; I476-L479 WeakPolarHBondContact O-CB 3.42Å; I476-L479 PolarHBondContact O-N 3.24Å; V477-L479 VanDerWaalsContact C-N 3.31Å; V477-L479 PolarHBondContact O-N 3.43Å; L479-Q483 WeakPolarHBondContact O-CG 3.45Å; L479-Q671 PolarHBondContact O-NE2 2.86Å; L479-L674 HydrophobicContact CD1-CB 3.9Å; L479-L674 HydrophobicContact CD2-CD1 3.97Å; L479-V675 HydrophobicContact CD1-CG2 4.48Å; L479-L678 HydrophobicContact CD1-CD1 3.56Å; L479-L678 HydrophobicContact CG-CD1 4.11Å
480V96.6Very high95.5Very high0 Ų065.2 Ų65.20%033%0.328CS..Hα-helixtrans-73.8-41.5176.1-176.60000110.9I418 K422 I476 V477 L478 I482 Q483 L484I418-V480 HydrophobicContact CG2-CG1 3.9Å; I418-V480 WeakPolarHBondContact O-CG1 3.19Å; K422-V480 HydrophobicContact CD-CG1 4.39Å; K422-V480 HydrophobicContact CG-CB 3.8Å; K422-V480 HydrophobicContact CG-CG1 3.77Å; K422-V480 HydrophobicContact CG-CG2 3.84Å; I476-V480 PolarHBondContact O-N 2.88Å; V477-V480 PolarHBondContact O-N 3.32Å; L478-V480 VanDerWaalsContact C-N 3.25Å; L478-V480 PolarHBondContact O-N 2.92Å; V480-I482 VanDerWaalsContact C-N 3.26Å; V480-I482 PolarHBondContact O-N 2.59Å; V480-Q483 WeakPolarHBondContact O-CB 3.46Å; V480-Q483 PolarHBondContact O-N 2.92Å; V480-L484 HydrophobicContact CG1-CD1 4.21Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 PolarHBondContact O-N 3.33Å
481D97.6Very high95.1Very high58 Ų5863.4 Ų63.431%0.3132%0.317SS..Hα-helixtrans-64-31179.5-68.2-20000112.5K422 V477 L478 L484 S485K422-D481 WeakPolarHBondContact CE-OD1 2.77Å; K422-D481 IonicContact NZ-OD1 3.88Å; K422-D481 PolarHBondContact NZ-OD1 3.39Å; V477-D481 WeakPolarHBondContact CG1-OD2 3.46Å; V477-D481 PolarHBondContact O-N 3.15Å; L478-D481 PolarHBondContact O-N 2.76Å; D481-L484 PolarHBondContact O-N 2.8Å; D481-S485 WeakPolarHBondContact O-CB 3.41Å; D481-S485 PolarHBondContact O-N 3Å; D481-S485 PolarHBondContact O-OG 3.09Å
482I97.3Very high94.6Very high95 Ų9566.5 Ų66.549%0.48734%0.337SS..Hα-helixtrans-64.1-44.4171.3-71.1165.6000110.8L478 V480 L484 S485 Y486L478-I482 HydrophobicContact CD1-CD1 4.23Å; L478-I482 HydrophobicContact CD1-CG1 4.15Å; L478-I482 HydrophobicContact CG-CD1 3.98Å; L478-I482 HydrophobicContact CG-CG1 4.38Å; L478-I482 VanDerWaalsContact O-CG1 3.28Å; L478-I482 WeakPolarHBondContact O-CG1 3.3Å; L478-I482 PolarHBondContact O-N 2.8Å; V480-I482 VanDerWaalsContact C-N 3.26Å; V480-I482 PolarHBondContact O-N 2.59Å; I482-L484 VanDerWaalsContact C-N 3.29Å; I482-L484 PolarHBondContact O-N 3.02Å; I482-S485 PolarHBondContact O-N 3.34Å; I482-S485 VanDerWaalsContact O-N 3.15Å; I482-Y486 PolarHBondContact O-N 2.92Å
483Q95.1Very high94.2Very high36 Ų3670.6 Ų70.617%0.16836%0.359CS..Hα-helixtrans-64.9-35.8176.3-61.3-66.5-28.800111.5I418 L479 V480 V667I418-Q483 HydrophobicContact CG2-CB 3.85Å; L479-Q483 WeakPolarHBondContact O-CG 3.45Å; V480-Q483 WeakPolarHBondContact O-CB 3.46Å; V480-Q483 PolarHBondContact O-N 2.92Å; Q483-V667 HydrophobicContact CB-CG1 4.06Å; Q483-V667 HydrophobicContact CG-CG1 3.8Å
484L95.2Very high93.8Very high27 Ų2767.1 Ų67.114%0.14135%0.346CS..Hα-helixtrans-69.8-32.2172.9-69.7170.5000112.1R415 I418 D419 V480 D481 I482 Y486R415-L484 HydrophobicContact CB-CD2 4.14Å; R415-L484 HydrophobicContact CG-CD2 4.45Å; R415-L484 PolarHBondContact NH1-O 3.49Å; R415-L484 VanDerWaalsContact O-CD2 3.27Å; R415-L484 WeakPolarHBondContact O-CD2 3.4Å; I418-L484 HydrophobicContact CB-CD2 3.76Å; I418-L484 HydrophobicContact CB-CG 4.43Å; I418-L484 HydrophobicContact CG2-CD2 3.58Å; I418-L484 HydrophobicContact CG2-CG 3.69Å; D419-L484 HydrophobicContact CB-CD1 4.23Å; D419-L484 HydrophobicContact CB-CD2 4.4Å; V480-L484 HydrophobicContact CG1-CD1 4.21Å; V480-L484 HydrophobicContact CG1-CG 4.42Å; V480-L484 PolarHBondContact O-N 3.33Å; D481-L484 PolarHBondContact O-N 2.8Å; I482-L484 VanDerWaalsContact C-N 3.29Å; I482-L484 PolarHBondContact O-N 3.02Å; L484-Y486 VanDerWaalsContact C-N 3.35Å; L484-Y486 PolarHBondContact O-N 3.01Å
485S95.6Very high93.1Very high98 Ų9864.9 Ų64.969%0.68533%0.334SS*.Hα-helixtrans-70.6-30.4-174.4-650000113D481 I482D481-S485 WeakPolarHBondContact O-CB 3.41Å; D481-S485 PolarHBondContact O-N 3Å; D481-S485 PolarHBondContact O-OG 3.09Å; I482-S485 PolarHBondContact O-N 3.34Å; I482-S485 VanDerWaalsContact O-N 3.15Å
486Y93.8Very high92.1Very high149 Ų14962 Ų6258%0.58433%0.326SS*.  trans-148.7115.3-178.2177.8-110.2000112.7I482 L484 N488I482-Y486 PolarHBondContact O-N 2.92Å; L484-Y486 VanDerWaalsContact C-N 3.35Å; L484-Y486 PolarHBondContact O-N 3.01Å; Y486-N488 HydrophobicContact CD1-CB 4.27Å; Y486-N488 HydrophobicContact CE1-CB 3.75Å; Y486-N488 PolarHBondContact O-N 3.23Å
487M89.9Confident90.9Very high21 Ų2165.8 Ų65.810%0.10334%0.342CS..  trans-87.5101.1174.4-71.2179.755.500111F410 E411 T414 R415 T489 Y663F410-M487 HydrophobicContact CD1-CE 4.03Å; F410-M487 HydrophobicContact CE1-CE 3.31Å; F410-M487 HydrophobicContact CE2-CE 4.37Å; F410-M487 HydrophobicContact CZ-CE 3.51Å; E411-M487 HydrophobicContact CB-SD 4.42Å; E411-M487 HydrophobicContact CG-SD 3.95Å; T414-M487 HydrophobicContact CG2-CE 3.47Å; T414-M487 VanDerWaalsContact CG2-CE 3.47Å; T414-M487 HydrophobicContact CG2-SD 4.14Å; R415-M487 HydrophobicContact CG-SD 4.12Å; M487-T489 PolarHBondContact O-N 2.99Å; M487-Y663 VanDerWaalsContact CA-OH 3.3Å; M487-Y663 WeakPolarHBondContact CA-OH 3.42Å; M487-Y663 HydrophobicContact CB-CE1 4.39Å; M487-Y663 HydrophobicContact CE-CD1 4.24Å; M487-Y663 HydrophobicContact CE-CE1 4.26Å; M487-Y663 HydrophobicContact CG-CE1 4.13Å
488N91Very high89.8Confident53 Ų5371 Ų7128%0.28336%0.364SS..  trans-73.580.5178.5-173.716.1000113.1Y486 N490 H491 Y663Y486-N488 HydrophobicContact CD1-CB 4.27Å; Y486-N488 HydrophobicContact CE1-CB 3.75Å; Y486-N488 PolarHBondContact O-N 3.23Å; N488-N490 PolarHBondContact O-N 3.45Å; N488-N490 PolarHBondContact OD1-N 3.49Å; N488-H491 VanDerWaalsContact O-CB 3.29Å; N488-H491 WeakPolarHBondContact O-CB 3.46Å; N488-H491 PolarHBondContact O-N 3.02Å; N488-Y663 PolarHBondContact N-OH 3.27Å; N488-Y663 WeakPolarHBondContact O-CE2 3.27Å
489T87.5Confident88.8Confident66 Ų6669.5 Ų69.541%0.40536%0.36SS..THydrogen-bonded Turntrans-70.2-5.3175.355.80000114F410 M487 H491 F494F410-T489 HydrophobicContact CE1-CG2 4.04Å; M487-T489 PolarHBondContact O-N 2.99Å; T489-H491 VanDerWaalsContact C-N 3.35Å; T489-F494 HydrophobicContact CG2-CE1 4.25Å; T489-F494 VanDerWaalsContact O-CD1 3.27Å; T489-F494 WeakPolarHBondContact O-CD1 3.2Å
490N88Confident87.6Confident135 Ų13568 Ų6872%0.72235%0.352SS*.THydrogen-bonded Turntrans-94.59.9172.8-63.5-32.7000112.5N488N488-N490 PolarHBondContact O-N 3.45Å; N488-N490 PolarHBondContact OD1-N 3.49Å
491H88.9Confident86.2Confident52 Ų5271.9 Ų71.924%0.24137%0.37CS..  trans-63.6136.9177.9-170.5-72.9000111N488 T489 D493 F494 I666N488-H491 VanDerWaalsContact O-CB 3.29Å; N488-H491 WeakPolarHBondContact O-CB 3.46Å; N488-H491 PolarHBondContact O-N 3.02Å; T489-H491 VanDerWaalsContact C-N 3.35Å; H491-D493 VanDerWaalsContact C-N 3.32Å; H491-D493 IonicContact CE1-OD2 3.96Å; H491-D493 PolarHBondContact ND1-N 2.99Å; H491-D493 VanDerWaalsContact ND1-N 3.12Å; H491-D493 PolarHBondContact O-N 3.31Å; H491-F494 HydrophobicContact CB-CB 4.25Å; H491-F494 VanDerWaalsContact O-CB 3.29Å; H491-F494 WeakPolarHBondContact O-CB 3.43Å; H491-F494 PolarHBondContact O-N 3.37Å; H491-I666 HydrophobicContact CB-CD1 4.25Å; H491-I666 WeakPolarHBondContact NE2-CG2 3.27Å
492E88.1Confident85Confident178 Ų17874.9 Ų74.983%0.83238%0.382SS*.THydrogen-bonded Turntrans-57.8-39.8-174.761.4-176.4176.300114F494E492-F494 VanDerWaalsContact C-N 3.25Å; E492-F494 PolarHBondContact O-N 2.98Å
493D87.8Confident83.5Confident87 Ų8774.2 Ų74.247%0.46538%0.377SS..THydrogen-bonded Turntrans-77.8-3.1177.9-70.6-18.1000113.9H491 I666 K669H491-D493 VanDerWaalsContact C-N 3.32Å; H491-D493 IonicContact CE1-OD2 3.96Å; H491-D493 PolarHBondContact ND1-N 2.99Å; H491-D493 VanDerWaalsContact ND1-N 3.12Å; H491-D493 PolarHBondContact O-N 3.31Å; D493-I666 HydrophobicContact CB-CD1 4.04Å; D493-I666 HydrophobicContact CB-CG1 3.93Å; D493-K669 IonicContact OD2-NZ 2.6Å
494F90.8Very high81.9Confident20 Ų2073.5 Ų73.59%0.08838%0.376CS..  trans-85.1123.7-178.6-175.2-118.5000110.5F410 T489 H491 E492 G496 L659 S662 Y663 I666F410-F494 HydrophobicContact CE1-CZ 4.33Å; F410-F494 HydrophobicContact CE2-CE2 4.43Å; F410-F494 HydrophobicContact CE2-CZ 4.27Å; F410-F494 HydrophobicContact CZ-CE2 4.08Å; F410-F494 AromaticContact CZ-CZ 3.74Å; F410-F494 HydrophobicContact CZ-CZ 3.74Å; T489-F494 HydrophobicContact CG2-CE1 4.25Å; T489-F494 VanDerWaalsContact O-CD1 3.27Å; T489-F494 WeakPolarHBondContact O-CD1 3.2Å; H491-F494 HydrophobicContact CB-CB 4.25Å; H491-F494 VanDerWaalsContact O-CB 3.29Å; H491-F494 WeakPolarHBondContact O-CB 3.43Å; H491-F494 PolarHBondContact O-N 3.37Å; E492-F494 VanDerWaalsContact C-N 3.25Å; E492-F494 PolarHBondContact O-N 2.98Å; F494-G496 PolarHBondContact O-N 3.22Å; F494-G496 VanDerWaalsContact O-N 3.13Å; F494-L659 HydrophobicContact CE1-CD2 4.26Å; F494-L659 HydrophobicContact CE2-CB 4.48Å; F494-L659 HydrophobicContact CE2-CD2 4.24Å; F494-L659 WeakPolarHBondContact CE2-O 3.21Å; F494-L659 HydrophobicContact CZ-CB 4.25Å; F494-L659 HydrophobicContact CZ-CD2 3.65Å; F494-S662 WeakPolarHBondContact CD2-OG 3.24Å; F494-Y663 AromaticContact CD2-CD2 3.93Å; F494-Y663 HydrophobicContact CD2-CD2 3.93Å; F494-Y663 HydrophobicContact CE2-CD2 4.08Å; F494-Y663 HydrophobicContact CE2-CG 4.4Å; F494-Y663 HydrophobicContact CG-CD2 4.46Å; F494-I666 HydrophobicContact CB-CD1 3.8Å; F494-I666 HydrophobicContact CD2-CD1 4.42Å
495I83.1Confident80.1Confident50 Ų5075.8 Ų75.826%0.25639%0.394SS..  trans-63.9-23.2-170.964.1177.4000114S499 A500 N658 L659 S662I495-S499 WeakPolarHBondContact O-CB 3.44Å; I495-S499 PolarHBondContact O-OG 3.24Å; I495-A500 HydrophobicContact CD1-CB 3.91Å; I495-A500 HydrophobicContact CG1-CB 4.46Å; I495-N658 HydrophobicContact CD1-CB 4.18Å; I495-L659 HydrophobicContact CG1-CD2 4.31Å; I495-S662 PolarHBondContact N-OG 2.97Å; I495-S662 VanDerWaalsContact N-OG 3.15Å
496G77.2Confident77.9Confident22 Ų2277.1 Ų77.123%0.22739%0.39CS..Hα-helixtrans70169.8-175.300000114.1F494 A500 L659F494-G496 PolarHBondContact O-N 3.22Å; F494-G496 VanDerWaalsContact O-N 3.13Å; G496-A500 WeakPolarHBondContact O-CB 3.42Å; G496-A500 PolarHBondContact O-N 3.31Å; G496-L659 WeakPolarHBondContact O-CD2 3.29Å
497F72.9Confident75.5Confident80 Ų8074.8 Ų74.835%0.35139%0.391SS..Hα-helixtrans-62.8-43.3-175.8-83.7-83.2000113.5P406 D407 S499 A500 E501 I655 L659P406-F497 HydrophobicContact CB-CE1 3.58Å; P406-F497 HydrophobicContact CB-CZ 4.14Å; D407-F497 WeakPolarHBondContact OD1-CZ 3.43Å; F497-S499 PolarHBondContact O-N 2.91Å; F497-A500 PolarHBondContact O-N 3.11Å; F497-E501 WeakPolarHBondContact O-CB 3.42Å; F497-E501 PolarHBondContact O-N 3.35Å; F497-I655 HydrophobicContact CD1-CG2 4.26Å; F497-L659 HydrophobicContact CD1-CD1 3.5Å; F497-L659 VanDerWaalsContact CD1-CD1 3.5Å; F497-L659 HydrophobicContact CE1-CD1 3.24Å; F497-L659 HydrophobicContact CE2-CD1 4.33Å; F497-L659 HydrophobicContact CG-CD1 4.13Å; F497-L659 HydrophobicContact CZ-CD1 3.71Å
498E75.2Confident72.7Confident155 Ų15578.1 Ų78.172%0.72442%0.422SS*.Hα-helixtrans-61.2-45.9-176.9-65.7-178.8175.400111.9E501 Q502E498-E501 PolarHBondContact O-N 3.37Å; E498-Q502 VanDerWaalsContact O-CG 3.32Å; E498-Q502 WeakPolarHBondContact O-CG 3.39Å; E498-Q502 PolarHBondContact O-N 3.37Å
499S76.8Confident69.9Low45 Ų4584 Ų8432%0.31545%0.445SS..Hα-helixtrans-67.9-37.7177.6-50.20000111.9I495 F497 E501 Q502 Q503I495-S499 WeakPolarHBondContact O-CB 3.44Å; I495-S499 PolarHBondContact O-OG 3.24Å; F497-S499 PolarHBondContact O-N 2.91Å; S499-E501 VanDerWaalsContact C-N 3.33Å; S499-Q502 PolarHBondContact O-N 3.05Å; S499-Q503 WeakPolarHBondContact O-CB 3.35Å; S499-Q503 VanDerWaalsContact O-CG 3.27Å; S499-Q503 WeakPolarHBondContact O-CG 3.21Å; S499-Q503 PolarHBondContact O-N 2.99Å
500A71.5Confident67Low0 Ų088.3 Ų88.30%047%0.465CS..Hα-helixtrans-65.6-36.5176.800000112.2I495 G496 F497 S504 I655 N658 L659I495-A500 HydrophobicContact CD1-CB 3.91Å; I495-A500 HydrophobicContact CG1-CB 4.46Å; G496-A500 WeakPolarHBondContact O-CB 3.42Å; G496-A500 PolarHBondContact O-N 3.31Å; F497-A500 PolarHBondContact O-N 3.11Å; A500-S504 PolarHBondContact O-N 3.3Å; A500-I655 HydrophobicContact CB-CG2 4.17Å; A500-N658 HydrophobicContact CB-CB 4Å; A500-L659 HydrophobicContact CB-CD2 3.66Å; A500-L659 HydrophobicContact CB-CG 3.74Å
501E68Low64.1Low82 Ų8291.3 Ų91.338%0.38347%0.472SS..Hα-helixtrans-69.6-40175-171174.9-175.600112.2F497 E498 S499 S504 S505 R651 I655F497-E501 WeakPolarHBondContact O-CB 3.42Å; F497-E501 PolarHBondContact O-N 3.35Å; E498-E501 PolarHBondContact O-N 3.37Å; S499-E501 VanDerWaalsContact C-N 3.33Å; E501-S504 PolarHBondContact O-N 2.92Å; E501-S504 PolarHBondContact O-OG 3.08Å; E501-S505 PolarHBondContact O-N 2.9Å; E501-S505 PolarHBondContact O-OG 3.36Å; E501-S505 VanDerWaalsContact O-OG 3.05Å; E501-R651 VanDerWaalsContact CG-NH2 3.27Å; E501-R651 IonicContact OE1-CZ 3.92Å; E501-R651 VanDerWaalsContact OE1-CZ 3.27Å; E501-R651 IonicContact OE1-NH1 3.8Å; E501-R651 IonicContact OE1-NH2 2.92Å; E501-R651 PolarHBondContact OE1-NH2 3.34Å; E501-I655 HydrophobicContact CB-CD1 4.13Å; E501-I655 HydrophobicContact CB-CG1 4.39Å; E501-I655 HydrophobicContact CG-CD1 3.95Å
502Q72.5Confident61.4Low121 Ų12194.2 Ų94.257%0.56550%0.495SS*.Hα-helixtrans-62.2-46.9172.6-71.3171.114.800111.4E498 S499 S504 S505 E506E498-Q502 VanDerWaalsContact O-CG 3.32Å; E498-Q502 WeakPolarHBondContact O-CG 3.39Å; E498-Q502 PolarHBondContact O-N 3.37Å; S499-Q502 PolarHBondContact O-N 3.05Å; Q502-S504 VanDerWaalsContact C-N 3.29Å; Q502-S504 PolarHBondContact O-N 3.18Å; Q502-S505 WeakPolarHBondContact O-CB 3.39Å; Q502-S505 PolarHBondContact O-N 2.89Å; Q502-E506 PolarHBondContact O-N 3.28Å
503Q65.8Low58.5Low82 Ų8289 Ų8938%0.38349%0.489SS..Hα-helixtrans-59.8-38.7177-74.6174.610.800112.1S499 S505 E506 V507S499-Q503 WeakPolarHBondContact O-CB 3.35Å; S499-Q503 VanDerWaalsContact O-CG 3.27Å; S499-Q503 WeakPolarHBondContact O-CG 3.21Å; S499-Q503 PolarHBondContact O-N 2.99Å; Q503-S505 PolarHBondContact O-N 2.83Å; Q503-E506 PolarHBondContact O-N 3.1Å; Q503-V507 WeakPolarHBondContact O-CG2 3.38Å; Q503-V507 PolarHBondContact O-N 3.45Å
504S60.5Low55.8Low21 Ų2192.4 Ų92.415%0.14751%0.508CS..Hα-helixtrans-61.8-27.3175.977.60000113.3A500 E501 Q502A500-S504 PolarHBondContact O-N 3.3Å; E501-S504 PolarHBondContact O-N 2.92Å; E501-S504 PolarHBondContact O-OG 3.08Å; Q502-S504 VanDerWaalsContact C-N 3.29Å; Q502-S504 PolarHBondContact O-N 3.18Å
505S57Low53.1Low74 Ų7499 Ų9952%0.51754%0.537SS..Hα-helixtrans-85-24.5-179.3-50.80000112.5E501 Q502 Q503E501-S505 PolarHBondContact O-N 2.9Å; E501-S505 PolarHBondContact O-OG 3.36Å; E501-S505 VanDerWaalsContact O-OG 3.05Å; Q502-S505 WeakPolarHBondContact O-CB 3.39Å; Q502-S505 PolarHBondContact O-N 2.89Å; Q503-S505 PolarHBondContact O-N 2.83Å
506E51Low51Low127 Ų127103.2 Ų103.259%0.59356%0.564SS**Hα-helixtrans-94.3-7-175.4-71.7-171160.900115Q502 Q503 A508 K509Q502-E506 PolarHBondContact O-N 3.28Å; Q503-E506 PolarHBondContact O-N 3.1Å; E506-A508 PolarHBondContact O-N 3.47Å; E506-K509 PolarHBondContact O-N 2.9Å
507V41.6Very low49.7Very low99 Ų99105 Ų10560%0.657%0.573SS**THydrogen-bonded Turntrans-57.2-13.4179.8-1720000113.1Q503 K509Q503-V507 WeakPolarHBondContact O-CG2 3.38Å; Q503-V507 PolarHBondContact O-N 3.45Å; V507-K509 VanDerWaalsContact C-N 3.35Å; V507-K509 PolarHBondContact O-N 3.22Å
508A32.6Very low49.3Very low92 Ų92104.5 Ų104.576%0.7658%0.579SS**THydrogen-bonded Turntrans-69.8-20.9174.800000115E506E506-A508 PolarHBondContact O-N 3.47Å
509K30.4Very low49.4Very low177 Ų177100.6 Ų100.677%0.7757%0.566SS**SBendtrans-158101-180-68.2-177.7-177.2166.90111.1E506 V507E506-K509 PolarHBondContact O-N 2.9Å; V507-K509 VanDerWaalsContact C-N 3.35Å; V507-K509 PolarHBondContact O-N 3.22Å
510N28.6Very low49.3Very low155 Ų15599.6 Ų99.683%0.82956%0.557SS**  trans-163137.9145.9-96.2-26.8000113.9
511K26.7Very low50Low199 Ų199102 Ų10287%0.86557%0.566SS**PPolyproline II helixtrans-91.2151.9172-86.9178.3171.3-179.70110.1
512P31.2Very low51Low112 Ų112102 Ų10273%0.72757%0.565SS**PPolyproline II helixtrans-75.7131.6-177.92.513.2000111.8
513G28.4Very low51.8Low69 Ų6996.8 Ų96.871%0.71154%0.543SS*.PPolyproline II helixtrans-93.1139.8177.600000113.7K515G513-K515 PolarHBondContact O-N 3.15Å
514N29.5Very low53Low159 Ų15998.2 Ų98.285%0.8555%0.545SS*.  trans-17111.6172-68.4-12.6000116.8
515K34.8Very low54.4Low159 Ų15997.3 Ų97.369%0.69154%0.539SS*.  trans-103131.5160.5-84.8-179179.2173.30108.8G513 S517 E547G513-K515 PolarHBondContact O-N 3.15Å; K515-S517 PolarHBondContact O-N 3.34Å; K515-E547 PolarHBondContact N-OE1 3.36Å; K515-E547 VanDerWaalsContact O-OE1 3.07Å
516V38.7Very low55.8Low138 Ų13894.3 Ų94.384%0.83652%0.517SS*.  trans-46116.4174.1178.60000109.6S518V516-S518 PolarHBondContact O-N 3.46Å
517S51.1Low57.4Low58 Ų5888.3 Ų88.341%0.40649%0.49SS..  trans-70.490.5-171.5-153.80000110.5K515 N545K515-S517 PolarHBondContact O-N 3.34Å; S517-N545 PolarHBondContact OG-ND2 3.47Å
518S63.2Low59Low70 Ų7087.3 Ų87.349%0.4948%0.478SS..  trans-90.3141171.461.50000110V516 I520 N545 T546V516-S518 PolarHBondContact O-N 3.46Å; S518-I520 PolarHBondContact O-N 2.81Å; S518-N545 WeakPolarHBondContact O-CA 3.44Å; S518-T546 PolarHBondContact O-N 3.43Å
519V77.5Confident60.7Low74 Ų7484.3 Ų84.345%0.44845%0.45SS..EExtended strand (participates in β ladder)trans-70.1123.7173.6-179.40000108.5K522 V543 N545V519-K522 HydrophobicContact CG1-CD 4.3Å; V519-K522 HydrophobicContact CG1-CG 3.71Å; V519-V543 HydrophobicContact CG1-CG1 4.02Å; V519-V543 HydrophobicContact CG2-CG1 4.23Å; V519-N545 WeakPolarHBondContact CA-OD1 3.35Å; V519-N545 WeakPolarHBondContact CG2-OD1 3.1Å
520I74.5Confident62.2Low23 Ų2377.2 Ų77.212%0.11842%0.421CS..EExtended strand (participates in β ladder)trans-89.2-44.5178.2-62.9171.9000110.3S518 L544 T546 R621 A622S518-I520 PolarHBondContact O-N 2.81Å; I520-L544 HydrophobicContact CB-CG 4.37Å; I520-L544 HydrophobicContact CG2-CD2 4.42Å; I520-L544 PolarHBondContact N-O 3.36Å; I520-T546 HydrophobicContact CD1-CG2 3.96Å; I520-T546 HydrophobicContact CG1-CG2 4.32Å; I520-R621 HydrophobicContact CD1-CB 4.39Å; I520-R621 HydrophobicContact CG2-CB 3.92Å; I520-A622 VanDerWaalsContact CD1-CA 3.49Å; I520-A622 HydrophobicContact CD1-CB 3.43Å; I520-A622 VanDerWaalsContact CD1-CB 3.43Å
521R85.7Confident63.3Low50 Ų5071.5 Ų71.519%0.18939%0.392CS..EExtended strand (participates in β ladder)trans-155.8151.2-179.6-175.5168.6-172.8107.1-5.5111.6E369 L544 S614 W615 S618E369-R521 IonicContact OE1-NH1 2.93Å; E369-R521 PolarHBondContact OE1-NH1 3.29Å; R521-L544 PolarHBondContact N-O 3.26Å; R521-L544 PolarHBondContact O-N 2.91Å; R521-S614 PolarHBondContact NH1-OG 2.59Å; R521-S614 PolarHBondContact NH2-OG 3.28Å; R521-S614 VanDerWaalsContact NH2-OG 3.09Å; R521-W615 HydrophobicContact CB-CZ3 4.36Å; R521-W615 HydrophobicContact CG-CE3 4.43Å; R521-W615 HydrophobicContact CG-CH2 4.13Å; R521-W615 HydrophobicContact CG-CZ2 4.33Å; R521-W615 HydrophobicContact CG-CZ3 4.17Å; R521-S618 WeakPolarHBondContact CD-OG 3.41Å
522K89.1Confident64.3Low84 Ų8469.6 Ų69.637%0.36539%0.39SS..EExtended strand (participates in β ladder)trans-127.9153.7166.3-52.3-172.5172.7-166.40110.4V519 W541 F542 V543 E557V519-K522 HydrophobicContact CG1-CD 4.3Å; V519-K522 HydrophobicContact CG1-CG 3.71Å; K522-W541 HydrophobicContact CB-CH2 4.3Å; K522-W541 HydrophobicContact CB-CZ2 3.54Å; K522-W541 HydrophobicContact CD-CZ2 4.29Å; K522-F542 CarbonylContact C-O 3.55Å; K522-F542 WeakPolarHBondContact CA-O 3.41Å; K522-V543 HydrophobicContact CD-CG1 4.44Å; K522-V543 HydrophobicContact CD-CG2 3.98Å; K522-V543 HydrophobicContact CG-CB 4.39Å; K522-V543 HydrophobicContact CG-CG1 4.15Å; K522-V543 HydrophobicContact CG-CG2 3.98Å; K522-E557 VanDerWaalsContact CD-OE1 3.31Å; K522-E557 WeakPolarHBondContact CD-OE1 3.45Å; K522-E557 WeakPolarHBondContact CE-OE1 3.27Å; K522-E557 IonicContact NZ-OE1 3.2Å; K522-E557 PolarHBondContact NZ-OE1 2.92Å; K522-E557 IonicContact NZ-OE2 3.91Å; K522-E557 PolarHBondContact NZ-OE2 3.02Å
523G89.5Confident64.8Low11 Ų1172.4 Ų72.411%0.11340%0.398CS..EExtended strand (participates in β ladder)trans165.9168.9173.300000114.2W541 F542G523-W541 VanDerWaalsContact CA-CZ3 3.49Å; G523-F542 PolarHBondContact N-O 3.06Å; G523-F542 PolarHBondContact O-N 3.16Å
524W90.8Very high65.6Low112 Ų11280.4 Ų80.442%0.42441%0.407SS..EExtended strand (participates in β ladder)trans-75.6133175.7-66.1102.8000111.6D539 F540 W541 D555W524-D539 HydrophobicContact CE3-CB 3.9Å; W524-D539 HydrophobicContact CZ3-CB 4.41Å; W524-F540 WeakPolarHBondContact CA-O 3.21Å; W524-W541 AromaticContact CD1-CE3 3.66Å; W524-W541 AromaticContact CD1-CZ3 3.54Å; W524-W541 AromaticContact CD2-CE3 3.86Å; W524-W541 HydrophobicContact CD2-CE3 3.86Å; W524-W541 AromaticContact CE2-CE3 3.65Å; W524-W541 HydrophobicContact CE3-CB 4.44Å; W524-W541 AromaticContact CG-CE3 3.86Å; W524-W541 HydrophobicContact CG-CE3 3.86Å; W524-W541 HydrophobicContact CG-CZ3 4.15Å; W524-W541 HydrophobicContact CH2-CB 4.47Å; W524-W541 HydrophobicContact CZ2-CE3 4.31Å; W524-W541 HydrophobicContact CZ3-CB 4.34Å; W524-W541 AromaticContact NE1-CE3 3.49Å; W524-W541 AromaticContact NE1-CZ3 3.51Å; W524-D555 HydrophobicContact CZ2-CB 4.06Å
525L90.3Very high66.3Low2 Ų275.5 Ų75.51%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-140.4150.6167.6-67.7169.2000108.9D539 F540 F542 L604 C605 A606 W615L525-D539 WeakPolarHBondContact O-CA 3.24Å; L525-F540 PolarHBondContact N-O 3.39Å; L525-F540 VanDerWaalsContact N-O 3.1Å; L525-F540 PolarHBondContact O-N 3.01Å; L525-F542 HydrophobicContact CB-CD2 3.6Å; L525-F542 HydrophobicContact CB-CE2 3.69Å; L525-F542 HydrophobicContact CB-CG 4.4Å; L525-F542 HydrophobicContact CD1-CB 4.36Å; L525-F542 HydrophobicContact CD1-CD2 4.14Å; L525-F542 HydrophobicContact CD1-CG 4.11Å; L525-F542 HydrophobicContact CG-CD2 4.25Å; L525-L604 HydrophobicContact CB-CD2 4.47Å; L525-L604 HydrophobicContact CD1-CB 4.34Å; L525-L604 HydrophobicContact CD1-CD1 4.15Å; L525-L604 HydrophobicContact CD1-CD2 4.31Å; L525-C605 WeakPolarHBondContact CA-O 3.46Å; L525-C605 VanDerWaalsContact CD2-O 3.32Å; L525-C605 WeakPolarHBondContact CD2-O 3.39Å; L525-A606 HydrophobicContact CD2-CB 3.75Å; L525-W615 HydrophobicContact CD1-CD2 3.81Å; L525-W615 HydrophobicContact CD1-CE3 4.1Å; L525-W615 HydrophobicContact CD1-CG 4.31Å; L525-W615 HydrophobicContact CD1-CH2 4.13Å; L525-W615 HydrophobicContact CD1-CZ2 3.84Å; L525-W615 HydrophobicContact CD1-CZ3 4.25Å; L525-W615 HydrophobicContact CD2-CD2 4.41Å; L525-W615 HydrophobicContact CD2-CG 4.23Å; L525-W615 HydrophobicContact CG-CD2 4.35Å; L525-W615 HydrophobicContact CG-CZ2 3.97Å
526S86.7Confident67.1Low10 Ų1070.6 Ų70.67%0.0739%0.389CS..EExtended strand (participates in β ladder)trans-96.2141.6170.3260000112.2N537 K538 D539 C605S526-N537 VanDerWaalsContact CB-ND2 3.33Å; S526-N537 WeakPolarHBondContact CB-ND2 3.37Å; S526-N537 PolarHBondContact OG-ND2 3.1Å; S526-N537 VanDerWaalsContact OG-ND2 3.14Å; S526-K538 WeakPolarHBondContact CA-O 3.21Å; S526-D539 WeakPolarHBondContact CB-OD1 3.35Å; S526-D539 PolarHBondContact OG-OD1 2.92Å; S526-C605 PolarHBondContact N-O 3.49Å; S526-C605 PolarHBondContact O-N 2.93Å; S526-C605 WeakPolarHBondContact OG-CB 3.38Å
527L84.6Confident68Low2 Ų267.1 Ų67.11%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-89.2119.5169.6-75.1170000110V530 T531 K538 F540 F542 W551 L602 L604L527-V530 HydrophobicContact CB-CB 4.4Å; L527-V530 HydrophobicContact CD2-CG2 4.48Å; L527-T531 PolarHBondContact O-OG1 3.36Å; L527-K538 PolarHBondContact N-O 3.12Å; L527-F540 HydrophobicContact CB-CD2 4.44Å; L527-F540 HydrophobicContact CB-CE2 4.38Å; L527-F540 HydrophobicContact CD1-CD2 3.72Å; L527-F540 HydrophobicContact CD1-CE2 3.76Å; L527-F540 HydrophobicContact CG-CD2 4.12Å; L527-F540 HydrophobicContact CG-CE2 4.38Å; L527-F542 HydrophobicContact CD1-CZ 4.34Å; L527-F542 HydrophobicContact CD2-CZ 4.02Å; L527-F542 HydrophobicContact CG-CZ 3.98Å; L527-W551 HydrophobicContact CD1-CZ2 4.23Å; L527-L602 HydrophobicContact CD2-CD1 3.41Å; L527-L602 VanDerWaalsContact CD2-CD1 3.41Å; L527-L602 HydrophobicContact CD2-CD2 4.22Å; L527-L602 HydrophobicContact CD2-CG 3.77Å; L527-L604 HydrophobicContact CD2-CD2 3.76Å
528Q74.1Confident69Low77 Ų7769.6 Ų69.636%0.3637%0.369SS..SBendtrans-88.5-50.8-174.4-177.6170.5-400113.2E603 C605Q528-E603 HydrophobicContact CB-CB 3.93Å; Q528-E603 PolarHBondContact N-O 3.39Å; Q528-E603 VanDerWaalsContact N-O 3.12Å; Q528-C605 PolarHBondContact OE1-SG 3.24Å
529N70.3Confident70Confident30 Ų3070.4 Ų70.416%0.1637%0.368CS..SBendtrans-90-11-170.564-13.8000114.7Y599 Q601 E603N529-Y599 HydrophobicContact CB-CD1 4.38Å; N529-Y599 HydrophobicContact CB-CE1 4.44Å; N529-Y599 WeakPolarHBondContact O-CE1 3.3Å; N529-Y599 PolarHBondContact O-OH 3.37Å; N529-Q601 PolarHBondContact ND2-O 2.99Å; N529-E603 HydrophobicContact CB-CB 4.45Å; N529-E603 HydrophobicContact CB-CG 4.26Å; N529-E603 PolarHBondContact OD1-N 3.35Å
530V60.5Low70.6Confident27 Ų2768.3 Ų68.316%0.16435%0.353CS..SBendtrans-82.9-13-176.7173.90000113.5L527 Y596 Y599 L602L527-V530 HydrophobicContact CB-CB 4.4Å; L527-V530 HydrophobicContact CD2-CG2 4.48Å; V530-Y596 HydrophobicContact CB-CD1 4.37Å; V530-Y596 HydrophobicContact CB-CE1 4.25Å; V530-Y596 HydrophobicContact CG1-CD1 3.83Å; V530-Y596 HydrophobicContact CG1-CE1 3.26Å; V530-Y596 HydrophobicContact CG2-CD1 3.57Å; V530-Y596 HydrophobicContact CG2-CE1 3.94Å; V530-Y596 HydrophobicContact CG2-CG 4.46Å; V530-Y599 HydrophobicContact CG2-CD2 4.38Å; V530-L602 HydrophobicContact CG2-CD1 3.92Å
531T52.3Low71.5Confident36 Ų3669.4 Ų69.422%0.22136%0.355CS..  trans-111.348.1-161.4-5.10000113.3L527L527-T531 PolarHBondContact O-OG1 3.36Å
532L47.3Very low71.9Confident159 Ų15967 Ų6783%0.83235%0.346SS*.  trans-91.3-11170.1-135.887.4000114.4R534L532-R534 PolarHBondContact O-N 2.87Å
533L42.8Very low71.9Confident171 Ų17163.3 Ų63.390%0.89533%0.331SS*.SBendtrans-97.290.7170.2-69.8166.9000109.3
534R45.2Very low71.9Confident236 Ų23662.8 Ų62.889%0.89133%0.325SS*.SBendtrans82.774.1160.8-142.5179-161.8177.83.9116.5L532L532-R534 PolarHBondContact O-N 2.87Å
535G43.2Very low71.6Confident56 Ų5658.7 Ų58.758%0.57731%0.312SS*.SBendtrans92.6107.6148.200000117.1
536G51.4Low70.9Confident57 Ų5760.2 Ų60.259%0.58832%0.321SS*.SBendtrans75152.2155.100000116.8K538G536-K538 PolarHBondContact O-N 3.29Å; G536-K538 VanDerWaalsContact O-N 3.09Å
537N59Low70.5Confident64 Ų6463.6 Ų63.634%0.34234%0.336SS..  trans-64.8103.4168-15046.2000107S526 K582S526-N537 VanDerWaalsContact CB-ND2 3.33Å; S526-N537 WeakPolarHBondContact CB-ND2 3.37Å; S526-N537 PolarHBondContact OG-ND2 3.1Å; S526-N537 VanDerWaalsContact OG-ND2 3.14Å; N537-K582 VanDerWaalsContact CG-NZ 3.3Å; N537-K582 PolarHBondContact ND2-NZ 3.38Å
538K71.9Confident70.7Confident111 Ų11164.3 Ų64.348%0.48334%0.341SS..  trans-91127.8178.5-77.6-175.3178.3177.50109.7S526 L527 G536 F540S526-K538 WeakPolarHBondContact CA-O 3.21Å; L527-K538 PolarHBondContact N-O 3.12Å; G536-K538 PolarHBondContact O-N 3.29Å; G536-K538 VanDerWaalsContact O-N 3.09Å; K538-F540 HydrophobicContact CB-CD2 4.45Å; K538-F540 HydrophobicContact CB-CE2 3.74Å; K538-F540 HydrophobicContact CB-CZ 4.01Å; K538-F540 HydrophobicContact CD-CZ 4.49Å; K538-F540 WeakPolarHBondContact O-CD2 3.31Å
539D84.1Confident71.6Confident86 Ų8660.6 Ų60.646%0.4632%0.324SS..EExtended strand (participates in β ladder)trans-78137.7168.4-60.8-33.5000109.1W524 L525 S526W524-D539 HydrophobicContact CE3-CB 3.9Å; W524-D539 HydrophobicContact CZ3-CB 4.41Å; L525-D539 WeakPolarHBondContact O-CA 3.24Å; S526-D539 WeakPolarHBondContact CB-OD1 3.35Å; S526-D539 PolarHBondContact OG-OD1 2.92Å
540F90.2Very high72.6Confident30 Ų3059.7 Ų59.713%0.13232%0.319CS..EExtended strand (participates in β ladder)trans-125153.4174.3-65.9-85.5000108.9W524 L525 L527 K538 F542 W551 Y552 R561W524-F540 WeakPolarHBondContact CA-O 3.21Å; L525-F540 PolarHBondContact N-O 3.39Å; L525-F540 VanDerWaalsContact N-O 3.1Å; L525-F540 PolarHBondContact O-N 3.01Å; L527-F540 HydrophobicContact CB-CD2 4.44Å; L527-F540 HydrophobicContact CB-CE2 4.38Å; L527-F540 HydrophobicContact CD1-CD2 3.72Å; L527-F540 HydrophobicContact CD1-CE2 3.76Å; L527-F540 HydrophobicContact CG-CD2 4.12Å; L527-F540 HydrophobicContact CG-CE2 4.38Å; K538-F540 HydrophobicContact CB-CD2 4.45Å; K538-F540 HydrophobicContact CB-CE2 3.74Å; K538-F540 HydrophobicContact CB-CZ 4.01Å; K538-F540 HydrophobicContact CD-CZ 4.49Å; K538-F540 WeakPolarHBondContact O-CD2 3.31Å; F540-F542 HydrophobicContact CB-CD2 4.2Å; F540-F542 HydrophobicContact CB-CE2 3.75Å; F540-F542 WeakPolarHBondContact O-CD2 3.47Å; F540-F542 PolarHBondContact O-N 3.49Å; F540-W551 HydrophobicContact CB-CB 4.14Å; F540-W551 HydrophobicContact CB-CG 4.48Å; F540-Y552 WeakPolarHBondContact CB-O 3.47Å; F540-Y552 WeakPolarHBondContact CD1-O 3.17Å; F540-R561 HydrophobicContact CD1-CG 4.4Å; F540-R561 HydrophobicContact CE1-CG 4.26Å
541W92Very high74Confident46 Ų4658.5 Ų58.517%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-85113.5173.5-176.5-109.6000109.4K522 G523 W524 W551 Y552 D554 D555 E557K522-W541 HydrophobicContact CB-CH2 4.3Å; K522-W541 HydrophobicContact CB-CZ2 3.54Å; K522-W541 HydrophobicContact CD-CZ2 4.29Å; G523-W541 VanDerWaalsContact CA-CZ3 3.49Å; W524-W541 AromaticContact CD1-CE3 3.66Å; W524-W541 AromaticContact CD1-CZ3 3.54Å; W524-W541 AromaticContact CD2-CE3 3.86Å; W524-W541 HydrophobicContact CD2-CE3 3.86Å; W524-W541 AromaticContact CE2-CE3 3.65Å; W524-W541 HydrophobicContact CE3-CB 4.44Å; W524-W541 AromaticContact CG-CE3 3.86Å; W524-W541 HydrophobicContact CG-CE3 3.86Å; W524-W541 HydrophobicContact CG-CZ3 4.15Å; W524-W541 HydrophobicContact CH2-CB 4.47Å; W524-W541 HydrophobicContact CZ2-CE3 4.31Å; W524-W541 HydrophobicContact CZ3-CB 4.34Å; W524-W541 AromaticContact NE1-CE3 3.49Å; W524-W541 AromaticContact NE1-CZ3 3.51Å; W541-W551 CarbonylContact O-C 3.48Å; W541-W551 VanDerWaalsContact O-CA 3.24Å; W541-W551 WeakPolarHBondContact O-CA 3.48Å; W541-Y552 PolarHBondContact N-O 3.18Å; W541-Y552 VanDerWaalsContact N-O 3.08Å; W541-Y552 PolarHBondContact O-N 3.31Å; W541-D554 WeakPolarHBondContact CB-O 3.4Å; W541-D555 HydrophobicContact CD2-CB 3.72Å; W541-D555 HydrophobicContact CE3-CB 3.9Å; W541-D555 HydrophobicContact CG-CB 4.03Å; W541-D555 HydrophobicContact CZ2-CB 4.4Å; W541-D555 HydrophobicContact CZ3-CB 4.31Å; W541-E557 PolarHBondContact NE1-OE1 3.31Å
542F94Very high75.9Confident0 Ų057.5 Ų57.50%030%0.304CS..EExtended strand (participates in β ladder)trans-97139.7179.8-77.2-101.5000110.9K522 G523 L525 L527 F540 L549 T550 W551 L604 W615K522-F542 CarbonylContact C-O 3.55Å; K522-F542 WeakPolarHBondContact CA-O 3.41Å; G523-F542 PolarHBondContact N-O 3.06Å; G523-F542 PolarHBondContact O-N 3.16Å; L525-F542 HydrophobicContact CB-CD2 3.6Å; L525-F542 HydrophobicContact CB-CE2 3.69Å; L525-F542 HydrophobicContact CB-CG 4.4Å; L525-F542 HydrophobicContact CD1-CB 4.36Å; L525-F542 HydrophobicContact CD1-CD2 4.14Å; L525-F542 HydrophobicContact CD1-CG 4.11Å; L525-F542 HydrophobicContact CG-CD2 4.25Å; L527-F542 HydrophobicContact CD1-CZ 4.34Å; L527-F542 HydrophobicContact CD2-CZ 4.02Å; L527-F542 HydrophobicContact CG-CZ 3.98Å; F540-F542 HydrophobicContact CB-CD2 4.2Å; F540-F542 HydrophobicContact CB-CE2 3.75Å; F540-F542 WeakPolarHBondContact O-CD2 3.47Å; F540-F542 PolarHBondContact O-N 3.49Å; F542-L549 HydrophobicContact CB-CD1 4.27Å; F542-L549 HydrophobicContact CD1-CD1 3.74Å; F542-L549 HydrophobicContact CD1-CD2 3.8Å; F542-L549 HydrophobicContact CD1-CG 3.73Å; F542-L549 HydrophobicContact CE1-CD2 3.91Å; F542-L549 HydrophobicContact CE1-CG 4.25Å; F542-L549 HydrophobicContact CG-CD1 4.48Å; F542-T550 CarbonylContact C-O 3.56Å; F542-T550 WeakPolarHBondContact CA-O 3.4Å; F542-W551 HydrophobicContact CD1-CB 3.65Å; F542-W551 HydrophobicContact CD1-CD2 4.49Å; F542-W551 HydrophobicContact CD1-CE3 4.11Å; F542-W551 HydrophobicContact CD1-CG 4.38Å; F542-W551 HydrophobicContact CD2-CB 4.02Å; F542-W551 HydrophobicContact CE1-CB 3.61Å; F542-W551 AromaticContact CE1-CD2 3.75Å; F542-W551 HydrophobicContact CE1-CD2 3.75Å; F542-W551 AromaticContact CE1-CE3 3.46Å; F542-W551 HydrophobicContact CE1-CE3 3.46Å; F542-W551 VanDerWaalsContact CE1-CE3 3.46Å; F542-W551 AromaticContact CE1-CG 3.87Å; F542-W551 HydrophobicContact CE1-CG 3.87Å; F542-W551 HydrophobicContact CE1-CZ3 4.25Å; F542-W551 HydrophobicContact CE2-CB 3.97Å; F542-W551 HydrophobicContact CE2-CG 4.47Å; F542-W551 HydrophobicContact CG-CB 3.88Å; F542-W551 HydrophobicContact CZ-CB 3.76Å; F542-W551 HydrophobicContact CZ-CD2 4.06Å; F542-W551 HydrophobicContact CZ-CE3 4.2Å; F542-W551 AromaticContact CZ-CG 3.92Å; F542-W551 HydrophobicContact CZ-CG 3.92Å; F542-L604 HydrophobicContact CE1-CD2 3.7Å; F542-L604 HydrophobicContact CE2-CD2 4.15Å; F542-L604 HydrophobicContact CZ-CD2 3.46Å; F542-L604 VanDerWaalsContact CZ-CD2 3.46Å; F542-W615 HydrophobicContact CB-CH2 3.75Å; F542-W615 HydrophobicContact CB-CZ2 4.36Å; F542-W615 HydrophobicContact CB-CZ3 4.45Å
543V90.5Very high77.6Confident6 Ų654.7 Ų54.74%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-124.5111.4173.4179.50000107.3V519 K522 N545 T550 Y552 E557V519-V543 HydrophobicContact CG1-CG1 4.02Å; V519-V543 HydrophobicContact CG2-CG1 4.23Å; K522-V543 HydrophobicContact CD-CG1 4.44Å; K522-V543 HydrophobicContact CD-CG2 3.98Å; K522-V543 HydrophobicContact CG-CB 4.39Å; K522-V543 HydrophobicContact CG-CG1 4.15Å; K522-V543 HydrophobicContact CG-CG2 3.98Å; V543-N545 WeakPolarHBondContact CG1-OD1 3.06Å; V543-T550 PolarHBondContact N-O 2.82Å; V543-T550 PolarHBondContact O-N 3.34Å; V543-Y552 HydrophobicContact CB-CE2 4.04Å; V543-Y552 HydrophobicContact CG2-CD2 4.04Å; V543-Y552 HydrophobicContact CG2-CE2 3.56Å; V543-E557 HydrophobicContact CG2-CG 4.37Å
544L89.5Confident79.7Confident0 Ų048.4 Ų48.40%025%0.252CS..EExtended strand (participates in β ladder)trans-98.1122176.617665.7000109.4I520 R521 L549 L566 W615 S618 F619 A622I520-L544 HydrophobicContact CB-CG 4.37Å; I520-L544 HydrophobicContact CG2-CD2 4.42Å; I520-L544 PolarHBondContact N-O 3.36Å; R521-L544 PolarHBondContact N-O 3.26Å; R521-L544 PolarHBondContact O-N 2.91Å; L544-L549 HydrophobicContact CB-CD1 3.94Å; L544-L549 HydrophobicContact CD1-CB 4.34Å; L544-L549 HydrophobicContact CD1-CD1 4.08Å; L544-L566 HydrophobicContact CD1-CD1 3.58Å; L544-L566 HydrophobicContact CD1-CD2 4.15Å; L544-L566 HydrophobicContact CD1-CG 4.46Å; L544-W615 HydrophobicContact CB-CZ3 4.1Å; L544-S618 VanDerWaalsContact CD2-C 3.47Å; L544-S618 WeakPolarHBondContact CD2-O 3.4Å; L544-F619 HydrophobicContact CD1-CD1 3.82Å; L544-F619 HydrophobicContact CD1-CE1 3.63Å; L544-F619 HydrophobicContact CD1-CZ 4.33Å; L544-F619 HydrophobicContact CD2-CD1 4.03Å; L544-F619 HydrophobicContact CD2-CD2 4.39Å; L544-F619 HydrophobicContact CD2-CE1 4.26Å; L544-F619 HydrophobicContact CD2-CG 4.08Å; L544-A622 HydrophobicContact CD1-CB 3.94Å; L544-A622 HydrophobicContact CD2-CB 4.24Å; L544-A622 HydrophobicContact CG-CB 4.22Å
545N84.3Confident81.5Confident26 Ų2641.7 Ų41.714%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-111.5177.8171.2-65.68.1000109.9S517 S518 V519 V543 E547 S548 L566S517-N545 PolarHBondContact OG-ND2 3.47Å; S518-N545 WeakPolarHBondContact O-CA 3.44Å; V519-N545 WeakPolarHBondContact CA-OD1 3.35Å; V519-N545 WeakPolarHBondContact CG2-OD1 3.1Å; V543-N545 WeakPolarHBondContact CG1-OD1 3.06Å; N545-E547 PolarHBondContact O-N 3.4Å; N545-S548 PolarHBondContact N-O 3.08Å; N545-L566 WeakPolarHBondContact O-CD1 3.38Å
546T74.8Confident83.5Confident35 Ų3544.7 Ų44.722%0.21523%0.233CC..SBendtrans-59.3-22.9175.843.90000115S518 I520S518-T546 PolarHBondContact O-N 3.43Å; I520-T546 HydrophobicContact CD1-CG2 3.96Å; I520-T546 HydrophobicContact CG1-CG2 4.32Å
547E77.6Confident85.1Confident81 Ų8144.7 Ų44.738%0.37922%0.218SC..SBendtrans-122.4-19.8-172.9-62.6-179.8164.900113.6K515 N545 L566K515-E547 PolarHBondContact N-OE1 3.36Å; K515-E547 VanDerWaalsContact O-OE1 3.07Å; N545-E547 PolarHBondContact O-N 3.4Å; E547-L566 PolarHBondContact O-N 2.9Å
548S89Confident86.2Confident16 Ų1649.2 Ų49.211%0.11223%0.234CC..EExtended strand (participates in β ladder)trans-148151.3-173.962.40000113.2N545 L564N545-S548 PolarHBondContact N-O 3.08Å; S548-L564 CarbonylContact C-O 3.59Å; S548-L564 WeakPolarHBondContact CA-O 3.38Å; S548-L564 WeakPolarHBondContact CB-O 3.49Å
549L93.4Very high86.7Confident0 Ų048 Ų480%023%0.23CC..EExtended strand (participates in β ladder)trans-107.5113.7165.5-17972.3000108.5F542 L544 L564 L566 L587 L602 L604 F619F542-L549 HydrophobicContact CB-CD1 4.27Å; F542-L549 HydrophobicContact CD1-CD1 3.74Å; F542-L549 HydrophobicContact CD1-CD2 3.8Å; F542-L549 HydrophobicContact CD1-CG 3.73Å; F542-L549 HydrophobicContact CE1-CD2 3.91Å; F542-L549 HydrophobicContact CE1-CG 4.25Å; F542-L549 HydrophobicContact CG-CD1 4.48Å; L544-L549 HydrophobicContact CB-CD1 3.94Å; L544-L549 HydrophobicContact CD1-CB 4.34Å; L544-L549 HydrophobicContact CD1-CD1 4.08Å; L549-L564 HydrophobicContact CB-CB 4.41Å; L549-L564 PolarHBondContact N-O 2.81Å; L549-L564 PolarHBondContact O-N 2.69Å; L549-L566 HydrophobicContact CB-CD2 3.87Å; L549-L587 HydrophobicContact CD2-CD1 3.82Å; L549-L602 HydrophobicContact CD2-CD2 4.46Å; L549-L604 HydrophobicContact CD2-CD1 4.16Å; L549-F619 HydrophobicContact CB-CE1 4.38Å; L549-F619 HydrophobicContact CD1-CE1 4.08Å; L549-F619 HydrophobicContact CD1-CZ 3.7Å; L549-F619 HydrophobicContact CD2-CE1 4Å; L549-F619 HydrophobicContact CD2-CZ 3.66Å; L549-F619 HydrophobicContact CG-CE1 4.38Å; L549-F619 HydrophobicContact CG-CZ 4.2Å
550T91.3Very high86.7Confident10 Ų1050.7 Ų50.76%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-108.3141.5177.5-54.60000109.4F542 V543 Y552 K560 Y562 V563F542-T550 CarbonylContact C-O 3.56Å; F542-T550 WeakPolarHBondContact CA-O 3.4Å; V543-T550 PolarHBondContact N-O 2.82Å; V543-T550 PolarHBondContact O-N 3.34Å; T550-Y552 HydrophobicContact CG2-CD2 4.24Å; T550-Y552 HydrophobicContact CG2-CE1 4.42Å; T550-Y552 HydrophobicContact CG2-CE2 3.52Å; T550-K560 HydrophobicContact CG2-CG 4.37Å; T550-Y562 WeakPolarHBondContact CA-O 3.3Å; T550-Y562 WeakPolarHBondContact CG2-O 3.37Å; T550-V563 HydrophobicContact CG2-CG2 3.88Å
551W91.3Very high86.4Confident3 Ų355.3 Ų55.31%0.01126%0.255CS..EExtended strand (participates in β ladder)trans-126.4147.2169.362.994.9000113.4L527 F540 W541 F542 R561 Y562 L564 Y596 L602L527-W551 HydrophobicContact CD1-CZ2 4.23Å; F540-W551 HydrophobicContact CB-CB 4.14Å; F540-W551 HydrophobicContact CB-CG 4.48Å; W541-W551 CarbonylContact O-C 3.48Å; W541-W551 VanDerWaalsContact O-CA 3.24Å; W541-W551 WeakPolarHBondContact O-CA 3.48Å; F542-W551 HydrophobicContact CD1-CB 3.65Å; F542-W551 HydrophobicContact CD1-CD2 4.49Å; F542-W551 HydrophobicContact CD1-CE3 4.11Å; F542-W551 HydrophobicContact CD1-CG 4.38Å; F542-W551 HydrophobicContact CD2-CB 4.02Å; F542-W551 HydrophobicContact CE1-CB 3.61Å; F542-W551 AromaticContact CE1-CD2 3.75Å; F542-W551 HydrophobicContact CE1-CD2 3.75Å; F542-W551 AromaticContact CE1-CE3 3.46Å; F542-W551 HydrophobicContact CE1-CE3 3.46Å; F542-W551 VanDerWaalsContact CE1-CE3 3.46Å; F542-W551 AromaticContact CE1-CG 3.87Å; F542-W551 HydrophobicContact CE1-CG 3.87Å; F542-W551 HydrophobicContact CE1-CZ3 4.25Å; F542-W551 HydrophobicContact CE2-CB 3.97Å; F542-W551 HydrophobicContact CE2-CG 4.47Å; F542-W551 HydrophobicContact CG-CB 3.88Å; F542-W551 HydrophobicContact CZ-CB 3.76Å; F542-W551 HydrophobicContact CZ-CD2 4.06Å; F542-W551 HydrophobicContact CZ-CE3 4.2Å; F542-W551 AromaticContact CZ-CG 3.92Å; F542-W551 HydrophobicContact CZ-CG 3.92Å; W551-R561 WeakPolarHBondContact O-CB 3.42Å; W551-R561 PolarHBondContact O-N 2.98Å; W551-Y562 VanDerWaalsContact CE2-CB 3.47Å; W551-Y562 HydrophobicContact CE3-CD1 4.43Å; W551-Y562 AromaticContact CH2-CD1 3.13Å; W551-Y562 HydrophobicContact CH2-CD1 3.13Å; W551-Y562 AromaticContact CH2-CE1 3.92Å; W551-Y562 HydrophobicContact CH2-CE1 3.92Å; W551-Y562 AromaticContact CH2-CG 3.71Å; W551-Y562 HydrophobicContact CH2-CG 3.71Å; W551-Y562 AromaticContact CZ2-CD1 3.67Å; W551-Y562 HydrophobicContact CZ2-CD1 3.67Å; W551-Y562 AromaticContact CZ2-CG 3.72Å; W551-Y562 HydrophobicContact CZ2-CG 3.72Å; W551-Y562 AromaticContact CZ3-CD1 3.58Å; W551-Y562 HydrophobicContact CZ3-CD1 3.58Å; W551-Y562 HydrophobicContact CZ3-CE1 4.44Å; W551-Y562 HydrophobicContact CZ3-CG 4.32Å; W551-Y562 PolarHBondContact N-O 3.32Å; W551-Y562 VanDerWaalsContact N-O 3.14Å; W551-L564 HydrophobicContact CZ3-CB 4.03Å; W551-Y596 AromaticContact CH2-CD2 3.86Å; W551-Y596 HydrophobicContact CH2-CD2 3.86Å; W551-Y596 HydrophobicContact CH2-CE2 4.24Å; W551-Y596 AromaticContact CZ2-CD2 3.77Å; W551-Y596 HydrophobicContact CZ2-CD2 3.77Å; W551-Y596 AromaticContact CZ2-CE2 3.69Å; W551-Y596 HydrophobicContact CZ2-CE2 3.69Å; W551-Y596 HydrophobicContact CZ2-CG 4.48Å; W551-L602 HydrophobicContact CH2-CD1 4.25Å; W551-L602 HydrophobicContact CH2-CD2 3.95Å; W551-L602 HydrophobicContact CZ3-CD2 3.87Å
552Y90.5Very high86.2Confident15 Ų1557 Ų576%0.05926%0.262CS..EExtended strand (participates in β ladder)trans-122.5157.7-173.6-58-100.5000109.7F540 W541 V543 T550 D554 E557 E559 K560F540-Y552 WeakPolarHBondContact CB-O 3.47Å; F540-Y552 WeakPolarHBondContact CD1-O 3.17Å; W541-Y552 PolarHBondContact N-O 3.18Å; W541-Y552 VanDerWaalsContact N-O 3.08Å; W541-Y552 PolarHBondContact O-N 3.31Å; V543-Y552 HydrophobicContact CB-CE2 4.04Å; V543-Y552 HydrophobicContact CG2-CD2 4.04Å; V543-Y552 HydrophobicContact CG2-CE2 3.56Å; T550-Y552 HydrophobicContact CG2-CD2 4.24Å; T550-Y552 HydrophobicContact CG2-CE1 4.42Å; T550-Y552 HydrophobicContact CG2-CE2 3.52Å; Y552-D554 VanDerWaalsContact CB-O 3.31Å; Y552-D554 WeakPolarHBondContact CB-O 3.45Å; Y552-D554 PolarHBondContact O-N 3.14Å; Y552-E557 VanDerWaalsContact CD1-C 3.44Å; Y552-E557 HydrophobicContact CD1-CB 3.92Å; Y552-E557 HydrophobicContact CD1-CG 4.3Å; Y552-E557 WeakPolarHBondContact CD1-O 3.22Å; Y552-E557 HydrophobicContact CD2-CB 4.5Å; Y552-E557 HydrophobicContact CD2-CG 4Å; Y552-E557 HydrophobicContact CE1-CB 3.77Å; Y552-E557 HydrophobicContact CE1-CG 4.26Å; Y552-E557 WeakPolarHBondContact CE1-O 3.31Å; Y552-E557 HydrophobicContact CE2-CB 4.44Å; Y552-E557 HydrophobicContact CE2-CG 4.04Å; Y552-E557 HydrophobicContact CG-CB 4.26Å; Y552-E557 HydrophobicContact CG-CG 4.15Å; Y552-E559 WeakPolarHBondContact CA-O 3.31Å; Y552-K560 HydrophobicContact CD1-CB 4.42Å; Y552-K560 HydrophobicContact CD1-CG 3.74Å; Y552-K560 HydrophobicContact CE1-CB 4.27Å; Y552-K560 HydrophobicContact CE1-CD 4.09Å; Y552-K560 HydrophobicContact CE1-CG 3.17Å; Y552-K560 VanDerWaalsContact OH-CE 3.28Å; Y552-K560 WeakPolarHBondContact OH-CE 3.39Å
553K84.4Confident86Confident100 Ų10060.3 Ų60.344%0.43528%0.281SS..SBendtrans-60.2-36.2175.6-176.7-174.9172.5-165.40112.2E559K553-E559 HydrophobicContact CB-CB 4.18Å; K553-E559 WeakPolarHBondContact CD-OE2 3.35Å; K553-E559 PolarHBondContact N-O 3.42Å; K553-E559 IonicContact NZ-OE1 3.86Å; K553-E559 IonicContact NZ-OE2 3.8Å
554D85.9Confident85.9Confident39 Ų3960.2 Ų60.221%0.20928%0.281CS..SBendtrans-148.3170.8-17544.846.3000110.6W541 Y552 E556 E557W541-D554 WeakPolarHBondContact CB-O 3.4Å; Y552-D554 VanDerWaalsContact CB-O 3.31Å; Y552-D554 WeakPolarHBondContact CB-O 3.45Å; Y552-D554 PolarHBondContact O-N 3.14Å; D554-E556 PolarHBondContact O-N 2.95Å; D554-E557 PolarHBondContact O-N 3.22Å
555D83.7Confident85.9Confident95 Ų9565.4 Ų65.451%0.50831%0.308SS..THydrogen-bonded Turntrans-73.7-5.7179.863-31.2000113.8W524 W541 E557W524-D555 HydrophobicContact CZ2-CB 4.06Å; W541-D555 HydrophobicContact CD2-CB 3.72Å; W541-D555 HydrophobicContact CE3-CB 3.9Å; W541-D555 HydrophobicContact CG-CB 4.03Å; W541-D555 HydrophobicContact CZ2-CB 4.4Å; W541-D555 HydrophobicContact CZ3-CB 4.31Å; D555-E557 PolarHBondContact O-N 3.14Å
556E84.7Confident85.9Confident119 Ų11964.6 Ų64.656%0.55630%0.304SS*.THydrogen-bonded Turntrans-71.1-11.3170.2-59.3-165.4159.700112.8D554 K558D554-E556 PolarHBondContact O-N 2.95Å; E556-K558 HydrophobicContact CB-CD 4.25Å; E556-K558 HydrophobicContact CB-CG 4.13Å; E556-K558 PolarHBondContact O-N 2.67Å; E556-K558 IonicContact OE1-NZ 3.39Å; E556-K558 WeakPolarHBondContact OE2-CD 3.28Å; E556-K558 WeakPolarHBondContact OE2-CE 3.22Å; E556-K558 IonicContact OE2-NZ 3.21Å; E556-K558 PolarHBondContact OE2-NZ 2.86Å
557E84.9Confident86.2Confident57 Ų5769 Ų6927%0.26633%0.326SS..  trans56.121.5177.2-66.4175.9-155.100114.4K522 W541 V543 Y552 D554 D555K522-E557 VanDerWaalsContact CD-OE1 3.31Å; K522-E557 WeakPolarHBondContact CD-OE1 3.45Å; K522-E557 WeakPolarHBondContact CE-OE1 3.27Å; K522-E557 IonicContact NZ-OE1 3.2Å; K522-E557 PolarHBondContact NZ-OE1 2.92Å; K522-E557 IonicContact NZ-OE2 3.91Å; K522-E557 PolarHBondContact NZ-OE2 3.02Å; W541-E557 PolarHBondContact NE1-OE1 3.31Å; V543-E557 HydrophobicContact CG2-CG 4.37Å; Y552-E557 VanDerWaalsContact CD1-C 3.44Å; Y552-E557 HydrophobicContact CD1-CB 3.92Å; Y552-E557 HydrophobicContact CD1-CG 4.3Å; Y552-E557 WeakPolarHBondContact CD1-O 3.22Å; Y552-E557 HydrophobicContact CD2-CB 4.5Å; Y552-E557 HydrophobicContact CD2-CG 4Å; Y552-E557 HydrophobicContact CE1-CB 3.77Å; Y552-E557 HydrophobicContact CE1-CG 4.26Å; Y552-E557 WeakPolarHBondContact CE1-O 3.31Å; Y552-E557 HydrophobicContact CE2-CB 4.44Å; Y552-E557 HydrophobicContact CE2-CG 4.04Å; Y552-E557 HydrophobicContact CG-CB 4.26Å; Y552-E557 HydrophobicContact CG-CG 4.15Å; D554-E557 PolarHBondContact O-N 3.22Å; D555-E557 PolarHBondContact O-N 3.14Å
558K82.1Confident86.4Confident158 Ų15867.2 Ų67.269%0.68733%0.33SS*.  trans-80.7-42.7-178.8-68.5178.5-174.31590112.9E556E556-K558 HydrophobicContact CB-CD 4.25Å; E556-K558 HydrophobicContact CB-CG 4.13Å; E556-K558 PolarHBondContact O-N 2.67Å; E556-K558 IonicContact OE1-NZ 3.39Å; E556-K558 WeakPolarHBondContact OE2-CD 3.28Å; E556-K558 WeakPolarHBondContact OE2-CE 3.22Å; E556-K558 IonicContact OE2-NZ 3.21Å; E556-K558 PolarHBondContact OE2-NZ 2.86Å
559E83Confident86.3Confident85 Ų8566.8 Ų66.840%0.39733%0.326SS..SBendtrans-103.291.6-177.7-73.7-173.4-157.600111.6Y552 K553 R561Y552-E559 WeakPolarHBondContact CA-O 3.31Å; K553-E559 HydrophobicContact CB-CB 4.18Å; K553-E559 WeakPolarHBondContact CD-OE2 3.35Å; K553-E559 PolarHBondContact N-O 3.42Å; K553-E559 IonicContact NZ-OE1 3.86Å; K553-E559 IonicContact NZ-OE2 3.8Å; E559-R561 PolarHBondContact O-N 2.84Å; E559-R561 IonicContact OE2-CZ 2.66Å; E559-R561 IonicContact OE2-NH2 3.92Å; E559-R561 PolarHBondContact OE2-NH2 2.77Å
560K83Confident86Confident143 Ų14370.4 Ų70.462%0.62234%0.342SS*.EExtended strand (participates in β ladder)trans-64.8119.8171.5-73.1-178.4-174.9-169.90110.5T550 Y552T550-K560 HydrophobicContact CG2-CG 4.37Å; Y552-K560 HydrophobicContact CD1-CB 4.42Å; Y552-K560 HydrophobicContact CD1-CG 3.74Å; Y552-K560 HydrophobicContact CE1-CB 4.27Å; Y552-K560 HydrophobicContact CE1-CD 4.09Å; Y552-K560 HydrophobicContact CE1-CG 3.17Å; Y552-K560 VanDerWaalsContact OH-CE 3.28Å; Y552-K560 WeakPolarHBondContact OH-CE 3.39Å
561R84.2Confident85.9Confident128 Ų12870.1 Ų70.148%0.48334%0.34SS..EExtended strand (participates in β ladder)trans-89.7-42.1178.4-68.7-74.9170.3178.2-10.5112F540 W551 E559F540-R561 HydrophobicContact CD1-CG 4.4Å; F540-R561 HydrophobicContact CE1-CG 4.26Å; W551-R561 WeakPolarHBondContact O-CB 3.42Å; W551-R561 PolarHBondContact O-N 2.98Å; E559-R561 PolarHBondContact O-N 2.84Å; E559-R561 IonicContact OE2-CZ 2.66Å; E559-R561 IonicContact OE2-NH2 3.92Å; E559-R561 PolarHBondContact OE2-NH2 2.77Å
562Y87.9Confident85.7Confident81 Ų8175.4 Ų75.432%0.31836%0.36SS..EExtended strand (participates in β ladder)trans-163.4155.7178.5-165.5-103.3000111T550 W551 L564 V595 Y596T550-Y562 WeakPolarHBondContact CA-O 3.3Å; T550-Y562 WeakPolarHBondContact CG2-O 3.37Å; W551-Y562 VanDerWaalsContact CE2-CB 3.47Å; W551-Y562 HydrophobicContact CE3-CD1 4.43Å; W551-Y562 AromaticContact CH2-CD1 3.13Å; W551-Y562 HydrophobicContact CH2-CD1 3.13Å; W551-Y562 AromaticContact CH2-CE1 3.92Å; W551-Y562 HydrophobicContact CH2-CE1 3.92Å; W551-Y562 AromaticContact CH2-CG 3.71Å; W551-Y562 HydrophobicContact CH2-CG 3.71Å; W551-Y562 AromaticContact CZ2-CD1 3.67Å; W551-Y562 HydrophobicContact CZ2-CD1 3.67Å; W551-Y562 AromaticContact CZ2-CG 3.72Å; W551-Y562 HydrophobicContact CZ2-CG 3.72Å; W551-Y562 AromaticContact CZ3-CD1 3.58Å; W551-Y562 HydrophobicContact CZ3-CD1 3.58Å; W551-Y562 HydrophobicContact CZ3-CE1 4.44Å; W551-Y562 HydrophobicContact CZ3-CG 4.32Å; W551-Y562 PolarHBondContact N-O 3.32Å; W551-Y562 VanDerWaalsContact N-O 3.14Å; Y562-L564 HydrophobicContact CD1-CB 4.15Å; Y562-L564 HydrophobicContact CE1-CB 3.97Å; Y562-L564 HydrophobicContact CE1-CD1 4.26Å; Y562-V595 PolarHBondContact OH-O 2.96Å; Y562-Y596 AromaticContact CD1-CD2 3.8Å; Y562-Y596 HydrophobicContact CD1-CD2 3.8Å; Y562-Y596 HydrophobicContact CD1-CE2 4.11Å; Y562-Y596 AromaticContact CD2-CD2 3.76Å; Y562-Y596 HydrophobicContact CD2-CD2 3.76Å; Y562-Y596 AromaticContact CD2-CE2 3.45Å; Y562-Y596 HydrophobicContact CD2-CE2 3.45Å; Y562-Y596 VanDerWaalsContact CD2-CE2 3.45Å; Y562-Y596 AromaticContact CE1-CD2 3.7Å; Y562-Y596 HydrophobicContact CE1-CD2 3.7Å; Y562-Y596 HydrophobicContact CE1-CE2 4.36Å; Y562-Y596 AromaticContact CE2-CD2 3.66Å; Y562-Y596 HydrophobicContact CE2-CD2 3.66Å; Y562-Y596 AromaticContact CE2-CE2 3.74Å; Y562-Y596 HydrophobicContact CE2-CE2 3.74Å; Y562-Y596 AromaticContact CG-CD2 3.79Å; Y562-Y596 HydrophobicContact CG-CD2 3.79Å; Y562-Y596 AromaticContact CG-CE2 3.62Å; Y562-Y596 HydrophobicContact CG-CE2 3.62Å; Y562-Y596 AromaticContact CZ-CD2 3.61Å
563V89.6Confident85.4Confident69 Ų6979.6 Ų79.642%0.41838%0.383SS..EExtended strand (participates in β ladder)trans-124.8116.7172.2-178.90000107.2T550T550-V563 HydrophobicContact CG2-CG2 3.88Å
564L89.8Confident85.2Confident5 Ų577 Ų773%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-100.4123.8175.2177.862.4000109S548 L549 W551 Y562 L569 L587 V595 L602S548-L564 CarbonylContact C-O 3.59Å; S548-L564 WeakPolarHBondContact CA-O 3.38Å; S548-L564 WeakPolarHBondContact CB-O 3.49Å; L549-L564 HydrophobicContact CB-CB 4.41Å; L549-L564 PolarHBondContact N-O 2.81Å; L549-L564 PolarHBondContact O-N 2.69Å; W551-L564 HydrophobicContact CZ3-CB 4.03Å; Y562-L564 HydrophobicContact CD1-CB 4.15Å; Y562-L564 HydrophobicContact CE1-CB 3.97Å; Y562-L564 HydrophobicContact CE1-CD1 4.26Å; L564-L569 HydrophobicContact CD1-CD1 4.07Å; L564-L569 HydrophobicContact CD2-CD1 3.58Å; L564-L569 HydrophobicContact CG-CD1 3.71Å; L564-L587 HydrophobicContact CD2-CD1 4.2Å; L564-V595 HydrophobicContact CD1-CG1 3.71Å; L564-V595 HydrophobicContact CD2-CG1 3.68Å; L564-V595 HydrophobicContact CG-CG1 4.37Å; L564-L602 HydrophobicContact CD2-CD2 3.92Å
565L89.5Confident84.1Confident109 Ų10983.8 Ų83.857%0.57140%0.404SS*.EExtended strand (participates in β ladder)trans-76.6136.8173.3-62.9176.2000109.7L569 Y589L565-L569 WeakPolarHBondContact O-CD1 3.36Å; L565-Y589 PolarHBondContact O-OH 3.19Å
566L83.9Confident82.8Confident8 Ų884 Ų844%0.04241%0.409CS..  trans-80.2-19.4-174.6-61.4-177.6000113.8L544 N545 E547 L549 G568 L569 F619 A622 V624L544-L566 HydrophobicContact CD1-CD1 3.58Å; L544-L566 HydrophobicContact CD1-CD2 4.15Å; L544-L566 HydrophobicContact CD1-CG 4.46Å; N545-L566 WeakPolarHBondContact O-CD1 3.38Å; E547-L566 PolarHBondContact O-N 2.9Å; L549-L566 HydrophobicContact CB-CD2 3.87Å; L566-G568 PolarHBondContact O-N 2.97Å; L566-L569 HydrophobicContact CD2-CD1 4.45Å; L566-L569 WeakPolarHBondContact O-CB 3.43Å; L566-L569 PolarHBondContact O-N 2.84Å; L566-F619 HydrophobicContact CD2-CD1 4.46Å; L566-F619 HydrophobicContact CD2-CE1 4.15Å; L566-A622 HydrophobicContact CD1-CB 3.47Å; L566-A622 VanDerWaalsContact CD1-CB 3.47Å; L566-V624 HydrophobicContact CB-CG2 3.77Å; L566-V624 HydrophobicContact CD1-CG2 4.07Å; L566-V624 HydrophobicContact CD2-CG2 3.98Å; L566-V624 HydrophobicContact CG-CG2 4.12Å
567D81.6Confident81.2Confident127 Ų12780.9 Ų80.968%0.67941%0.409SS*.THydrogen-bonded Turntrans-57.7124.7-175.4-170.426.2000111.1L569 Y589D567-L569 VanDerWaalsContact C-N 3.31Å; D567-L569 PolarHBondContact O-N 2.89Å; D567-Y589 VanDerWaalsContact O-CE1 3.29Å; D567-Y589 WeakPolarHBondContact O-CE1 3.35Å
568G80.3Confident79.6Confident45 Ų4588.5 Ų88.546%0.46444%0.441SS..THydrogen-bonded Turntrans79.2-5.4-178.500000116.6L566 P590L566-G568 PolarHBondContact O-N 2.97Å; G568-P590 WeakPolarHBondContact O-CD 3.2Å
569L87.4Confident78Confident7 Ų791 Ų914%0.03745%0.453CS..  trans-74.5147.7178.3-78.6170.1000112.3L564 L565 L566 D567 L587 Y589 V595 V624L564-L569 HydrophobicContact CD1-CD1 4.07Å; L564-L569 HydrophobicContact CD2-CD1 3.58Å; L564-L569 HydrophobicContact CG-CD1 3.71Å; L565-L569 WeakPolarHBondContact O-CD1 3.36Å; L566-L569 HydrophobicContact CD2-CD1 4.45Å; L566-L569 WeakPolarHBondContact O-CB 3.43Å; L566-L569 PolarHBondContact O-N 2.84Å; D567-L569 VanDerWaalsContact C-N 3.31Å; D567-L569 PolarHBondContact O-N 2.89Å; L569-L587 HydrophobicContact CD2-CB 4.27Å; L569-Y589 HydrophobicContact CD2-CD1 4Å; L569-Y589 HydrophobicContact CD2-CD2 4.18Å; L569-Y589 HydrophobicContact CD2-CE1 3.82Å; L569-Y589 HydrophobicContact CD2-CE2 4.04Å; L569-Y589 HydrophobicContact CD2-CG 4.15Å; L569-Y589 HydrophobicContact CG-CD1 4.21Å; L569-Y589 HydrophobicContact CG-CE1 3.68Å; L569-V595 HydrophobicContact CD2-CG1 4.11Å; L569-V595 HydrophobicContact CD2-CG2 3.97Å; L569-V624 HydrophobicContact CB-CG1 4Å; L569-V624 WeakPolarHBondContact O-CG1 3.44Å
570K87.7Confident76.6Confident75 Ų7589.4 Ų89.433%0.32646%0.459SS..EExtended strand (participates in β ladder)trans-125.2156.1168.6-65.4-162.2-178.1-175.30111.7L587 F588 P590 Y625 A627K570-L587 WeakPolarHBondContact O-CA 3.18Å; K570-F588 HydrophobicContact CB-CD1 4.45Å; K570-F588 HydrophobicContact CB-CE1 3.93Å; K570-F588 HydrophobicContact CB-CZ 4.26Å; K570-F588 PolarHBondContact N-O 2.91Å; K570-F588 WeakPolarHBondContact O-CD1 3.14Å; K570-F588 PolarHBondContact O-N 3.13Å; K570-P590 HydrophobicContact CD-CG 3.72Å; K570-P590 HydrophobicContact CG-CG 3.8Å; K570-Y625 CarbonylContact C-O 3.4Å; K570-Y625 WeakPolarHBondContact CA-O 3.38Å; K570-Y625 WeakPolarHBondContact CB-O 3.27Å; K570-A627 HydrophobicContact CB-CB 4.14Å; K570-A627 HydrophobicContact CD-CB 4.28Å
571I88.7Confident75.4Confident5 Ų591.9 Ų91.93%0.02647%0.47CS..EExtended strand (participates in β ladder)trans-93135.7175.5-53.3177.9000109.4F585 A586 L587 K616 F619 V624 Y625 P626 A627I571-F585 HydrophobicContact CG2-CB 4.35Å; I571-F585 HydrophobicContact CG2-CD2 3.88Å; I571-F585 HydrophobicContact CG2-CG 4.47Å; I571-A586 CarbonylContact C-O 3.57Å; I571-A586 WeakPolarHBondContact CA-O 3.37Å; I571-L587 HydrophobicContact CG1-CD2 3.96Å; I571-K616 HydrophobicContact CD1-CB 4.48Å; I571-K616 HydrophobicContact CG2-CG 4.27Å; I571-F619 HydrophobicContact CD1-CB 3.58Å; I571-F619 HydrophobicContact CD1-CG 4.35Å; I571-F619 HydrophobicContact CG1-CB 4.46Å; I571-V624 HydrophobicContact CD1-CG1 4.46Å; I571-V624 WeakPolarHBondContact CD1-O 3.29Å; I571-V624 HydrophobicContact CG1-CG1 3.77Å; I571-Y625 PolarHBondContact N-O 2.69Å; I571-P626 HydrophobicContact CB-CB 4.48Å; I571-P626 CarbonylContact O-C 3.35Å; I571-P626 WeakPolarHBondContact O-CA 3.13Å; I571-A627 PolarHBondContact O-N 2.94Å
572R87.7Confident74.6Confident113 Ų11390.2 Ų90.243%0.42647%0.466SS..EExtended strand (participates in β ladder)trans-127.6141.9168.2168.4171.961.9-179.2-4.3109.8A586 F588R572-A586 PolarHBondContact N-O 3.28Å; R572-A586 PolarHBondContact O-N 3.37Å; R572-F588 HydrophobicContact CB-CD1 3.9Å; R572-F588 HydrophobicContact CB-CE1 3.53Å; R572-F588 HydrophobicContact CB-CZ 4.46Å
573D84.4Confident74.4Confident104 Ų10489.4 Ų89.456%0.55647%0.465SS*.EExtended strand (participates in β ladder)trans-73132.6172-68.8-19.8000109.8K616D573-K616 WeakPolarHBondContact OD1-CE 3.28Å; D573-K616 IonicContact OD1-NZ 2.89Å; D573-K616 PolarHBondContact OD1-NZ 3.01Å; D573-K616 IonicContact OD2-NZ 2.64Å
574I78.8Confident74.2Confident44 Ų4486.8 Ų86.823%0.22645%0.45CS..PPolyproline II helixtrans-92.8121.6173.9-61.2170.4000106.8T576 A584 F585 A586 E603I574-T576 PolarHBondContact O-N 2.98Å; I574-A584 HydrophobicContact CB-CB 4.29Å; I574-A584 HydrophobicContact CD1-CB 3.94Å; I574-F585 VanDerWaalsContact CD1-C 3.45Å; I574-A586 HydrophobicContact CD1-CB 3.93Å; I574-A586 HydrophobicContact CG1-CB 3.87Å; I574-E603 HydrophobicContact CD1-CB 3.72Å; I574-E603 HydrophobicContact CD1-CG 3.53Å
575E64Low74.3Confident183 Ų18386.5 Ų86.586%0.85545%0.449SS*.PPolyproline II helixtrans-64.6127.1172.2-67.9-176.5174.300109.7G577E575-G577 PolarHBondContact O-N 2.96Å
576T56.6Low74.3Confident100 Ų10081.3 Ų81.361%0.61342%0.422SS*.  trans-64.398.1175.141.80000109.5I574I574-T576 PolarHBondContact O-N 2.98Å
577G50.8Low74.8Confident53 Ų5381 Ų8155%0.54642%0.42SS..  trans-60.7161.4171.800000112.5E575 F579E575-G577 PolarHBondContact O-N 2.96Å; G577-F579 PolarHBondContact O-N 3.24Å
578F50.9Low75.2Confident217 Ų21776.2 Ų76.295%0.95239%0.393SS*.SBendtrans-55.6-10.7-173.1-86.5-91.3000116.4
579F49.2Very low75.6Confident210 Ų21076.1 Ų76.192%0.92138%0.379SS*.SBendtrans-11383.2-179.8-68-82000111.7G577G577-F579 PolarHBondContact O-N 3.24Å
580G52.8Low75.3Confident52 Ų5279.3 Ų79.354%0.53640%0.401SS..  trans101.6129.2163.700000115.5K582G580-K582 PolarHBondContact O-N 3.4Å
581K58.3Low75Confident195 Ų19580.3 Ų80.385%0.84841%0.409SS*.  trans-71.165.7176.2-65.1-177.3178.4-177.70111.9
582K67.7Low74.8Confident92 Ų9284.3 Ų84.340%0.443%0.431SS..  trans-90.5122.2172.1-68.2-167.8179.2-173.60109.6N537 G580 A584N537-K582 VanDerWaalsContact CG-NZ 3.3Å; N537-K582 PolarHBondContact ND2-NZ 3.38Å; G580-K582 PolarHBondContact O-N 3.4Å; K582-A584 PolarHBondContact O-N 2.88Å
583H81.9Confident74.6Confident65 Ų6584.4 Ų84.430%0.30144%0.436SS..EExtended strand (participates in β ladder)trans-78.9105177-57.1-71.6000108.4C605 A606 S608 A609 V612H583-C605 WeakPolarHBondContact O-CA 3.09Å; H583-A606 PolarHBondContact O-N 2.94Å; H583-S608 VanDerWaalsContact CD2-C 3.5Å; H583-S608 VanDerWaalsContact CD2-CA 3.42Å; H583-S608 WeakPolarHBondContact CD2-CA 3.31Å; H583-A609 PolarHBondContact CD2-N 2.82Å; H583-A609 VanDerWaalsContact CG-N 3.3Å; H583-A609 PolarHBondContact ND1-N 3.41Å; H583-V612 VanDerWaalsContact C-CG2 3.44Å; H583-V612 HydrophobicContact CB-CG2 3.53Å; H583-V612 WeakPolarHBondContact O-CG2 3.14Å
584A87.1Confident74.8Confident13 Ų1383.3 Ų83.311%0.10743%0.43CS..EExtended strand (participates in β ladder)trans-133.6156.5-168.100000113.5I574 K582 L604 C605I574-A584 HydrophobicContact CB-CB 4.29Å; I574-A584 HydrophobicContact CD1-CB 3.94Å; K582-A584 PolarHBondContact O-N 2.88Å; A584-L604 CarbonylContact C-O 3.51Å; A584-L604 VanDerWaalsContact CA-O 3.23Å; A584-L604 WeakPolarHBondContact CA-O 3.34Å; A584-C605 WeakPolarHBondContact CB-SG 3.45Å
585F90.1Very high75.1Confident0 Ų081.4 Ų81.40%042%0.42CS..EExtended strand (participates in β ladder)trans-147.3159.5168.266.4-80.6000110I571 I574 L587 L604 V612 W615 K616 F619I571-F585 HydrophobicContact CG2-CB 4.35Å; I571-F585 HydrophobicContact CG2-CD2 3.88Å; I571-F585 HydrophobicContact CG2-CG 4.47Å; I574-F585 VanDerWaalsContact CD1-C 3.45Å; F585-L587 HydrophobicContact CE2-CD2 4.22Å; F585-L587 HydrophobicContact CE2-CG 4.46Å; F585-L604 HydrophobicContact CD1-CB 4.44Å; F585-L604 HydrophobicContact CE1-CB 3.97Å; F585-L604 HydrophobicContact CE2-CB 4.31Å; F585-L604 HydrophobicContact CE2-CD1 3.89Å; F585-L604 HydrophobicContact CZ-CB 3.9Å; F585-L604 HydrophobicContact CZ-CD1 3.79Å; F585-L604 HydrophobicContact CZ-CG 4.49Å; F585-L604 PolarHBondContact N-O 3.49Å; F585-L604 PolarHBondContact O-N 3.38Å; F585-V612 HydrophobicContact CD1-CG1 3.83Å; F585-V612 HydrophobicContact CD1-CG2 4.49Å; F585-W615 HydrophobicContact CE1-CB 4.06Å; F585-W615 HydrophobicContact CZ-CB 4.08Å; F585-K616 HydrophobicContact CG-CG 4.36Å; F585-F619 AromaticContact CE2-CD2 3.91Å; F585-F619 HydrophobicContact CE2-CD2 3.91Å; F585-F619 AromaticContact CE2-CE2 3.75Å; F585-F619 HydrophobicContact CE2-CE2 3.75Å; F585-F619 HydrophobicContact CZ-CD2 4.02Å; F585-F619 AromaticContact CZ-CE2 3.66Å; F585-F619 HydrophobicContact CZ-CE2 3.66Å
586A91.5Very high76.1Confident0 Ų073.9 Ų73.90%038%0.384CS..EExtended strand (participates in β ladder)trans-113.7141.9-178.300000111.8I571 R572 I574 Q601 L602 E603I571-A586 CarbonylContact C-O 3.57Å; I571-A586 WeakPolarHBondContact CA-O 3.37Å; R572-A586 PolarHBondContact N-O 3.28Å; R572-A586 PolarHBondContact O-N 3.37Å; I574-A586 HydrophobicContact CD1-CB 3.93Å; I574-A586 HydrophobicContact CG1-CB 3.87Å; A586-Q601 HydrophobicContact CB-CB 4.41Å; A586-Q601 VanDerWaalsContact CB-OE1 3.27Å; A586-L602 CarbonylContact C-O 3.56Å; A586-L602 VanDerWaalsContact CA-O 3.3Å; A586-L602 WeakPolarHBondContact CA-O 3.44Å; A586-E603 HydrophobicContact CB-CG 4.41Å
587L92.7Very high77.4Confident0 Ų075.6 Ų75.60%038%0.383CS..EExtended strand (participates in β ladder)trans-100.4131.4163.3-59.2177.5000109L549 L564 L569 K570 I571 F585 Q601 L602 L604 F619 V624L549-L587 HydrophobicContact CD2-CD1 3.82Å; L564-L587 HydrophobicContact CD2-CD1 4.2Å; L569-L587 HydrophobicContact CD2-CB 4.27Å; K570-L587 WeakPolarHBondContact O-CA 3.18Å; I571-L587 HydrophobicContact CG1-CD2 3.96Å; F585-L587 HydrophobicContact CE2-CD2 4.22Å; F585-L587 HydrophobicContact CE2-CG 4.46Å; L587-Q601 CarbonylContact O-C 3.59Å; L587-Q601 WeakPolarHBondContact O-CA 3.42Å; L587-Q601 WeakPolarHBondContact O-CB 3.43Å; L587-L602 HydrophobicContact CB-CB 4.33Å; L587-L602 PolarHBondContact N-O 2.78Å; L587-L602 PolarHBondContact O-N 3.48Å; L587-L604 HydrophobicContact CD1-CD1 3.94Å; L587-L604 HydrophobicContact CG-CD1 4.3Å; L587-F619 HydrophobicContact CD1-CE1 3.75Å; L587-F619 HydrophobicContact CD1-CZ 3.83Å; L587-F619 HydrophobicContact CD2-CD1 4.34Å; L587-F619 HydrophobicContact CD2-CE1 4.27Å; L587-V624 HydrophobicContact CD2-CG1 4.11Å
588F91.5Very high78.9Confident28 Ų2879.9 Ų79.912%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-150.9156.2-178.977.5-73.5000112.4K570 R572 Q601 A627K570-F588 HydrophobicContact CB-CD1 4.45Å; K570-F588 HydrophobicContact CB-CE1 3.93Å; K570-F588 HydrophobicContact CB-CZ 4.26Å; K570-F588 PolarHBondContact N-O 2.91Å; K570-F588 WeakPolarHBondContact O-CD1 3.14Å; K570-F588 PolarHBondContact O-N 3.13Å; R572-F588 HydrophobicContact CB-CD1 3.9Å; R572-F588 HydrophobicContact CB-CE1 3.53Å; R572-F588 HydrophobicContact CB-CZ 4.46Å; F588-Q601 HydrophobicContact CB-CB 3.85Å; F588-A627 HydrophobicContact CE1-CB 3.44Å; F588-A627 VanDerWaalsContact CE1-CB 3.44Å; F588-A627 HydrophobicContact CZ-CB 3.28Å
589Y88.5Confident80.6Confident42 Ų4273.2 Ų73.217%0.16536%0.363CS..  trans-87.6131.2171.4-69.4-67.2000110.6L565 D567 L569 D591 N592 H593 V595L565-Y589 PolarHBondContact O-OH 3.19Å; D567-Y589 VanDerWaalsContact O-CE1 3.29Å; D567-Y589 WeakPolarHBondContact O-CE1 3.35Å; L569-Y589 HydrophobicContact CD2-CD1 4Å; L569-Y589 HydrophobicContact CD2-CD2 4.18Å; L569-Y589 HydrophobicContact CD2-CE1 3.82Å; L569-Y589 HydrophobicContact CD2-CE2 4.04Å; L569-Y589 HydrophobicContact CD2-CG 4.15Å; L569-Y589 HydrophobicContact CG-CD1 4.21Å; L569-Y589 HydrophobicContact CG-CE1 3.68Å; Y589-D591 WeakPolarHBondContact CB-OD1 3.43Å; Y589-D591 PolarHBondContact O-N 3.22Å; Y589-N592 PolarHBondContact O-N 3.49Å; Y589-H593 HydrophobicContact CD2-CB 4.06Å; Y589-H593 HydrophobicContact CG-CB 4.34Å; Y589-V595 HydrophobicContact CD2-CG2 3.71Å; Y589-V595 HydrophobicContact CE2-CB 4.44Å; Y589-V595 HydrophobicContact CE2-CG2 4.06Å
590P80.3Confident82.5Confident75 Ų7568.2 Ų68.249%0.48734%0.341SS..THydrogen-bonded Turntrans-58.9-28.8179.3-25.734.3000114.7G568 K570 N592G568-P590 WeakPolarHBondContact O-CD 3.2Å; K570-P590 HydrophobicContact CD-CG 3.72Å; K570-P590 HydrophobicContact CG-CG 3.8Å; P590-N592 PolarHBondContact O-N 2.87Å
591D82Confident84.2Confident95 Ų9567.6 Ų67.651%0.50832%0.324SS..THydrogen-bonded Turntrans-80.43.1175.860.610.1000113.4Y589 H593Y589-D591 WeakPolarHBondContact CB-OD1 3.43Å; Y589-D591 PolarHBondContact O-N 3.22Å; D591-H593 VanDerWaalsContact C-N 3.27Å; D591-H593 VanDerWaalsContact CG-ND1 3.33Å; D591-H593 PolarHBondContact O-N 3.28Å; D591-H593 WeakPolarHBondContact OD1-CB 3.33Å; D591-H593 IonicContact OD1-CD2 3.81Å; D591-H593 IonicContact OD1-CG 3.02Å; D591-H593 VanDerWaalsContact OD1-CG 3.23Å; D591-H593 PolarHBondContact OD1-N 3.28Å; D591-H593 VanDerWaalsContact OD1-N 3.1Å; D591-H593 IonicContact OD1-ND1 2.86Å; D591-H593 PolarHBondContact OD1-ND1 3.12Å; D591-H593 IonicContact OD2-CD2 3.59Å; D591-H593 IonicContact OD2-CE1 2.85Å; D591-H593 PolarHBondContact OD2-CE1 3.45Å; D591-H593 IonicContact OD2-CG 3.9Å; D591-H593 IonicContact OD2-ND1 3.9Å; D591-H593 PolarHBondContact OD2-ND1 2.91Å; D591-H593 IonicContact OD2-NE2 3.26Å
592N83.4Confident85.7Confident89 Ų8958.3 Ų58.348%0.47628%0.283SS..  trans67.322.5177.6-14522.9000114.2Y589 P590 K600Y589-N592 PolarHBondContact O-N 3.49Å; P590-N592 PolarHBondContact O-N 2.87Å; N592-K600 PolarHBondContact ND2-NZ 3.21Å; N592-K600 WeakPolarHBondContact OD1-CD 3.36Å
593H85.1Confident86.8Confident116 Ų11655.4 Ų55.454%0.53727%0.271SS..  trans-65.3156.5168.8-70.7167.4000112.4Y589 D591 V595Y589-H593 HydrophobicContact CD2-CB 4.06Å; Y589-H593 HydrophobicContact CG-CB 4.34Å; D591-H593 VanDerWaalsContact C-N 3.27Å; D591-H593 VanDerWaalsContact CG-ND1 3.33Å; D591-H593 PolarHBondContact O-N 3.28Å; D591-H593 WeakPolarHBondContact OD1-CB 3.33Å; D591-H593 IonicContact OD1-CD2 3.81Å; D591-H593 IonicContact OD1-CG 3.02Å; D591-H593 VanDerWaalsContact OD1-CG 3.23Å; D591-H593 PolarHBondContact OD1-N 3.28Å; D591-H593 VanDerWaalsContact OD1-N 3.1Å; D591-H593 IonicContact OD1-ND1 2.86Å; D591-H593 PolarHBondContact OD1-ND1 3.12Å; D591-H593 IonicContact OD2-CD2 3.59Å; D591-H593 IonicContact OD2-CE1 2.85Å; D591-H593 PolarHBondContact OD2-CE1 3.45Å; D591-H593 IonicContact OD2-CG 3.9Å; D591-H593 IonicContact OD2-ND1 3.9Å; D591-H593 PolarHBondContact OD2-ND1 2.91Å; D591-H593 IonicContact OD2-NE2 3.26Å; H593-V595 PolarHBondContact O-N 3.15Å
594N87.4Confident87.2Confident81 Ų8152.3 Ų52.343%0.43326%0.257SS..  trans-70.8127.5177.7-63.7-12.5000110.6K597 Y599N594-K597 WeakPolarHBondContact CB-O 3.32Å; N594-K597 PolarHBondContact ND2-O 2.98Å; N594-K597 VanDerWaalsContact ND2-O 3.14Å; N594-Y599 CarbonylContact C-O 3.56Å; N594-Y599 WeakPolarHBondContact CA-O 3.38Å
595V86.2Confident87.3Confident3 Ų351.9 Ų51.92%0.01825%0.253CS..SBendtrans-82.7-41.1176.8-179.60000110.9Y562 L564 L569 Y589 H593 Y599 K600 L602Y562-V595 PolarHBondContact OH-O 2.96Å; L564-V595 HydrophobicContact CD1-CG1 3.71Å; L564-V595 HydrophobicContact CD2-CG1 3.68Å; L564-V595 HydrophobicContact CG-CG1 4.37Å; L569-V595 HydrophobicContact CD2-CG1 4.11Å; L569-V595 HydrophobicContact CD2-CG2 3.97Å; Y589-V595 HydrophobicContact CD2-CG2 3.71Å; Y589-V595 HydrophobicContact CE2-CB 4.44Å; Y589-V595 HydrophobicContact CE2-CG2 4.06Å; H593-V595 PolarHBondContact O-N 3.15Å; V595-Y599 PolarHBondContact N-O 3.12Å; V595-K600 WeakPolarHBondContact CG2-O 3.24Å; V595-L602 HydrophobicContact CG1-CB 3.86Å
596Y84.3Confident87.2Confident26 Ų2652.5 Ų52.510%0.10226%0.258CS..BIsolated β-bridgetrans-146.4117.6-178.7178.6-97.9000110V530 W551 Y562 D598 Y599 L602V530-Y596 HydrophobicContact CB-CD1 4.37Å; V530-Y596 HydrophobicContact CB-CE1 4.25Å; V530-Y596 HydrophobicContact CG1-CD1 3.83Å; V530-Y596 HydrophobicContact CG1-CE1 3.26Å; V530-Y596 HydrophobicContact CG2-CD1 3.57Å; V530-Y596 HydrophobicContact CG2-CE1 3.94Å; V530-Y596 HydrophobicContact CG2-CG 4.46Å; W551-Y596 AromaticContact CH2-CD2 3.86Å; W551-Y596 HydrophobicContact CH2-CD2 3.86Å; W551-Y596 HydrophobicContact CH2-CE2 4.24Å; W551-Y596 AromaticContact CZ2-CD2 3.77Å; W551-Y596 HydrophobicContact CZ2-CD2 3.77Å; W551-Y596 AromaticContact CZ2-CE2 3.69Å; W551-Y596 HydrophobicContact CZ2-CE2 3.69Å; W551-Y596 HydrophobicContact CZ2-CG 4.48Å; Y562-Y596 AromaticContact CD1-CD2 3.8Å; Y562-Y596 HydrophobicContact CD1-CD2 3.8Å; Y562-Y596 HydrophobicContact CD1-CE2 4.11Å; Y562-Y596 AromaticContact CD2-CD2 3.76Å; Y562-Y596 HydrophobicContact CD2-CD2 3.76Å; Y562-Y596 AromaticContact CD2-CE2 3.45Å; Y562-Y596 HydrophobicContact CD2-CE2 3.45Å; Y562-Y596 VanDerWaalsContact CD2-CE2 3.45Å; Y562-Y596 AromaticContact CE1-CD2 3.7Å; Y562-Y596 HydrophobicContact CE1-CD2 3.7Å; Y562-Y596 HydrophobicContact CE1-CE2 4.36Å; Y562-Y596 AromaticContact CE2-CD2 3.66Å; Y562-Y596 HydrophobicContact CE2-CD2 3.66Å; Y562-Y596 AromaticContact CE2-CE2 3.74Å; Y562-Y596 HydrophobicContact CE2-CE2 3.74Å; Y562-Y596 AromaticContact CG-CD2 3.79Å; Y562-Y596 HydrophobicContact CG-CD2 3.79Å; Y562-Y596 AromaticContact CG-CE2 3.62Å; Y562-Y596 HydrophobicContact CG-CE2 3.62Å; Y562-Y596 AromaticContact CZ-CD2 3.61Å; Y596-D598 PolarHBondContact O-N 3.43Å; Y596-Y599 HydrophobicContact CD1-CD2 4.31Å; Y596-Y599 PolarHBondContact N-O 3.47Å; Y596-Y599 WeakPolarHBondContact O-CB 3.48Å; Y596-Y599 WeakPolarHBondContact O-CD2 3.39Å; Y596-Y599 PolarHBondContact O-N 3.2Å; Y596-L602 HydrophobicContact CG-CD1 4.47Å
597K84.7Confident86.8Confident136 Ų13660.4 Ų60.459%0.59130%0.295SS*.THydrogen-bonded Turntrans52.5-117.9-175.3-61.5180176.3169.10111.2N594N594-K597 WeakPolarHBondContact CB-O 3.32Å; N594-K597 PolarHBondContact ND2-O 2.98Å; N594-K597 VanDerWaalsContact ND2-O 3.14Å
598D82.3Confident86.3Confident142 Ų14262.2 Ų62.276%0.75931%0.308SS*.THydrogen-bonded Turntrans-97.14.3-179.2-50.4-37.8000112.2Y596Y596-D598 PolarHBondContact O-N 3.43Å
599Y86.6Confident85.7Confident77 Ų7763.3 Ų63.330%0.30232%0.322SS..BIsolated β-bridgetrans-90.8122.9-177.7-61.9-85.2000111.2N529 V530 N594 V595 Y596 Q601N529-Y599 HydrophobicContact CB-CD1 4.38Å; N529-Y599 HydrophobicContact CB-CE1 4.44Å; N529-Y599 WeakPolarHBondContact O-CE1 3.3Å; N529-Y599 PolarHBondContact O-OH 3.37Å; V530-Y599 HydrophobicContact CG2-CD2 4.38Å; N594-Y599 CarbonylContact C-O 3.56Å; N594-Y599 WeakPolarHBondContact CA-O 3.38Å; V595-Y599 PolarHBondContact N-O 3.12Å; Y596-Y599 HydrophobicContact CD1-CD2 4.31Å; Y596-Y599 PolarHBondContact N-O 3.47Å; Y596-Y599 WeakPolarHBondContact O-CB 3.48Å; Y596-Y599 WeakPolarHBondContact O-CD2 3.39Å; Y596-Y599 PolarHBondContact O-N 3.2Å; Y599-Q601 PolarHBondContact O-N 3.11Å
600K87.7Confident85.1Confident106 Ų10667 Ų6746%0.46134%0.341SS..SBendtrans-70-12.6176.1-66.3178.8163.7-163.60114.4N592 V595N592-K600 PolarHBondContact ND2-NZ 3.21Å; N592-K600 WeakPolarHBondContact OD1-CD 3.36Å; V595-K600 WeakPolarHBondContact CG2-O 3.24Å
601Q89.5Confident85.3Confident39 Ų3965.9 Ų65.918%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-147156.1175.768.3179-7.500110.9N529 A586 L587 F588 Y599 E603N529-Q601 PolarHBondContact ND2-O 2.99Å; A586-Q601 HydrophobicContact CB-CB 4.41Å; A586-Q601 VanDerWaalsContact CB-OE1 3.27Å; L587-Q601 CarbonylContact O-C 3.59Å; L587-Q601 WeakPolarHBondContact O-CA 3.42Å; L587-Q601 WeakPolarHBondContact O-CB 3.43Å; F588-Q601 HydrophobicContact CB-CB 3.85Å; Y599-Q601 PolarHBondContact O-N 3.11Å; Q601-E603 HydrophobicContact CG-CG 4.17Å; Q601-E603 PolarHBondContact NE2-OE1 2.93Å
602L90Very high85.4Confident0 Ų061.7 Ų61.70%031%0.308CS..EExtended strand (participates in β ladder)trans-110.1114.1171.9-16973000109.1L527 V530 L549 W551 L564 A586 L587 V595 Y596 L604L527-L602 HydrophobicContact CD2-CD1 3.41Å; L527-L602 VanDerWaalsContact CD2-CD1 3.41Å; L527-L602 HydrophobicContact CD2-CD2 4.22Å; L527-L602 HydrophobicContact CD2-CG 3.77Å; V530-L602 HydrophobicContact CG2-CD1 3.92Å; L549-L602 HydrophobicContact CD2-CD2 4.46Å; W551-L602 HydrophobicContact CH2-CD1 4.25Å; W551-L602 HydrophobicContact CH2-CD2 3.95Å; W551-L602 HydrophobicContact CZ3-CD2 3.87Å; L564-L602 HydrophobicContact CD2-CD2 3.92Å; A586-L602 CarbonylContact C-O 3.56Å; A586-L602 VanDerWaalsContact CA-O 3.3Å; A586-L602 WeakPolarHBondContact CA-O 3.44Å; L587-L602 HydrophobicContact CB-CB 4.33Å; L587-L602 PolarHBondContact N-O 2.78Å; L587-L602 PolarHBondContact O-N 3.48Å; V595-L602 HydrophobicContact CG1-CB 3.86Å; Y596-L602 HydrophobicContact CG-CD1 4.47Å; L602-L604 HydrophobicContact CD2-CD2 4.31Å; L602-L604 HydrophobicContact CG-CD2 4.44Å
603E90.2Very high85.4Confident30 Ų3059.9 Ų59.914%0.1430%0.298CS..EExtended strand (participates in β ladder)trans-94.5120-179-63.1177.6-165.600110.7Q528 N529 I574 A586 Q601Q528-E603 HydrophobicContact CB-CB 3.93Å; Q528-E603 PolarHBondContact N-O 3.39Å; Q528-E603 VanDerWaalsContact N-O 3.12Å; N529-E603 HydrophobicContact CB-CB 4.45Å; N529-E603 HydrophobicContact CB-CG 4.26Å; N529-E603 PolarHBondContact OD1-N 3.35Å; I574-E603 HydrophobicContact CD1-CB 3.72Å; I574-E603 HydrophobicContact CD1-CG 3.53Å; A586-E603 HydrophobicContact CB-CG 4.41Å; Q601-E603 HydrophobicContact CG-CG 4.17Å; Q601-E603 PolarHBondContact NE2-OE1 2.93Å
604L91.2Very high85.1Confident0 Ų054.5 Ų54.50%027%0.274CS..EExtended strand (participates in β ladder)trans-114.1128.2-176.4-64.3173.1000110.5L525 L527 F542 L549 A584 F585 L587 L602 F619L525-L604 HydrophobicContact CB-CD2 4.47Å; L525-L604 HydrophobicContact CD1-CB 4.34Å; L525-L604 HydrophobicContact CD1-CD1 4.15Å; L525-L604 HydrophobicContact CD1-CD2 4.31Å; L527-L604 HydrophobicContact CD2-CD2 3.76Å; F542-L604 HydrophobicContact CE1-CD2 3.7Å; F542-L604 HydrophobicContact CE2-CD2 4.15Å; F542-L604 HydrophobicContact CZ-CD2 3.46Å; F542-L604 VanDerWaalsContact CZ-CD2 3.46Å; L549-L604 HydrophobicContact CD2-CD1 4.16Å; A584-L604 CarbonylContact C-O 3.51Å; A584-L604 VanDerWaalsContact CA-O 3.23Å; A584-L604 WeakPolarHBondContact CA-O 3.34Å; F585-L604 HydrophobicContact CD1-CB 4.44Å; F585-L604 HydrophobicContact CE1-CB 3.97Å; F585-L604 HydrophobicContact CE2-CB 4.31Å; F585-L604 HydrophobicContact CE2-CD1 3.89Å; F585-L604 HydrophobicContact CZ-CB 3.9Å; F585-L604 HydrophobicContact CZ-CD1 3.79Å; F585-L604 HydrophobicContact CZ-CG 4.49Å; F585-L604 PolarHBondContact N-O 3.49Å; F585-L604 PolarHBondContact O-N 3.38Å; L587-L604 HydrophobicContact CD1-CD1 3.94Å; L587-L604 HydrophobicContact CG-CD1 4.3Å; L602-L604 HydrophobicContact CD2-CD2 4.31Å; L602-L604 HydrophobicContact CG-CD2 4.44Å; L604-F619 HydrophobicContact CD1-CE2 4.33Å; L604-F619 HydrophobicContact CD1-CZ 4.18Å
605C88.9Confident85.1Confident4 Ų450.9 Ų50.93%0.02725%0.254CS..EExtended strand (participates in β ladder)trans-113.6138.6178.7-74.20000111.4L525 S526 Q528 H583 A584L525-C605 WeakPolarHBondContact CA-O 3.46Å; L525-C605 VanDerWaalsContact CD2-O 3.32Å; L525-C605 WeakPolarHBondContact CD2-O 3.39Å; S526-C605 PolarHBondContact N-O 3.49Å; S526-C605 PolarHBondContact O-N 2.93Å; S526-C605 WeakPolarHBondContact OG-CB 3.38Å; Q528-C605 PolarHBondContact OE1-SG 3.24Å; H583-C605 WeakPolarHBondContact O-CA 3.09Å; A584-C605 WeakPolarHBondContact CB-SG 3.45Å
606A88Confident85.1Confident13 Ų1351.6 Ų51.611%0.10726%0.257CS..EExtended strand (participates in β ladder)trans-118.5165.7170.900000111.3L525 H583 S608 L611 V612L525-A606 HydrophobicContact CD2-CB 3.75Å; H583-A606 PolarHBondContact O-N 2.94Å; A606-S608 VanDerWaalsContact C-N 3.29Å; A606-S608 PolarHBondContact O-N 3.41Å; A606-L611 HydrophobicContact CB-CB 3.79Å; A606-V612 HydrophobicContact CB-CG2 3.8Å
607E83.3Confident84.6Confident167 Ų16750.8 Ų50.878%0.7826%0.256SS*.SBendtrans-67.2-27.5-177-61.9179.1169.900113.5L611E607-L611 HydrophobicContact CB-CD1 4.04Å
608S81.1Confident84.5Confident37 Ų3744.5 Ų44.526%0.25923%0.229SC..SBendtrans-141.3156.8-177.774.20000112.5H583 A606 E610 L611 V612H583-S608 VanDerWaalsContact CD2-C 3.5Å; H583-S608 VanDerWaalsContact CD2-CA 3.42Å; H583-S608 WeakPolarHBondContact CD2-CA 3.31Å; A606-S608 VanDerWaalsContact C-N 3.29Å; A606-S608 PolarHBondContact O-N 3.41Å; S608-E610 PolarHBondContact O-N 3.22Å; S608-L611 PolarHBondContact O-N 3.29Å; S608-L611 VanDerWaalsContact O-N 3.16Å; S608-L611 WeakPolarHBondContact OG-CG 3.48Å; S608-L611 PolarHBondContact OG-N 3.2Å; S608-L611 VanDerWaalsContact OG-N 3.12Å; S608-V612 PolarHBondContact O-N 3.28Å
609A79.1Confident84.5Confident51 Ų5137.7 Ų37.742%0.42119%0.193SC..Hα-helixtrans-58.6-37.2173.500000111.8H583 L611 V612 D613H583-A609 PolarHBondContact CD2-N 2.82Å; H583-A609 VanDerWaalsContact CG-N 3.3Å; H583-A609 PolarHBondContact ND1-N 3.41Å; A609-L611 PolarHBondContact O-N 3.39Å; A609-V612 WeakPolarHBondContact O-CB 3.48Å; A609-V612 PolarHBondContact O-N 3.45Å; A609-D613 PolarHBondContact O-N 3.39Å
610E77Confident84Confident121 Ų12134.7 Ų34.757%0.56518%0.181SC*.Hα-helixtrans-62.3-42.8175.6-66.3-177.6-165.100112R365 S608 V612 D613 S614R365-E610 IonicContact NH1-OE2 2.95Å; R365-E610 PolarHBondContact NH1-OE2 2.97Å; R365-E610 PolarHBondContact NH2-O 3.38Å; S608-E610 PolarHBondContact O-N 3.22Å; E610-V612 VanDerWaalsContact C-N 3.34Å; E610-D613 PolarHBondContact O-N 2.92Å; E610-S614 WeakPolarHBondContact O-CB 3.37Å; E610-S614 PolarHBondContact O-N 2.97Å
611L82.7Confident83.3Confident51 Ų5137.5 Ų37.527%0.26719%0.189SC..Hα-helixtrans-66-38.4177.3-78.6168.4000111.3A606 E607 S608 A609 S614 W615A606-L611 HydrophobicContact CB-CB 3.79Å; E607-L611 HydrophobicContact CB-CD1 4.04Å; S608-L611 PolarHBondContact O-N 3.29Å; S608-L611 VanDerWaalsContact O-N 3.16Å; S608-L611 WeakPolarHBondContact OG-CG 3.48Å; S608-L611 PolarHBondContact OG-N 3.2Å; S608-L611 VanDerWaalsContact OG-N 3.12Å; A609-L611 PolarHBondContact O-N 3.39Å; L611-S614 WeakPolarHBondContact O-CB 3.16Å; L611-S614 PolarHBondContact O-N 2.93Å; L611-W615 WeakPolarHBondContact O-CB 3.5Å; L611-W615 VanDerWaalsContact O-CD1 3.23Å; L611-W615 PolarHBondContact O-N 3.4Å
612V85.8Confident82.5Confident7 Ų736.2 Ų36.24%0.04219%0.185CC..Hα-helixtrans-57.5-49.2171.8167.80000111H583 F585 A606 S608 A609 E610 S614 W615 K616H583-V612 VanDerWaalsContact C-CG2 3.44Å; H583-V612 HydrophobicContact CB-CG2 3.53Å; H583-V612 WeakPolarHBondContact O-CG2 3.14Å; F585-V612 HydrophobicContact CD1-CG1 3.83Å; F585-V612 HydrophobicContact CD1-CG2 4.49Å; A606-V612 HydrophobicContact CB-CG2 3.8Å; S608-V612 PolarHBondContact O-N 3.28Å; A609-V612 WeakPolarHBondContact O-CB 3.48Å; A609-V612 PolarHBondContact O-N 3.45Å; E610-V612 VanDerWaalsContact C-N 3.34Å; V612-S614 VanDerWaalsContact C-N 3.32Å; V612-S614 PolarHBondContact O-N 3.35Å; V612-W615 PolarHBondContact O-N 3.12Å; V612-K616 HydrophobicContact CG1-CD 4.05Å; V612-K616 HydrophobicContact CG1-CG 4.43Å; V612-K616 WeakPolarHBondContact O-CG 3.37Å; V612-K616 PolarHBondContact O-N 3.33Å
613D82.1Confident81.6Confident50 Ų5038.1 Ų38.127%0.26721%0.205SC..Hα-helixtrans-62.7-39.2178.9-87.711.9000112.1R370 A609 E610 K616 A617R370-D613 IonicContact CZ-OD2 3.65Å; R370-D613 IonicContact NH1-OD2 2.61Å; R370-D613 PolarHBondContact NH1-OD2 3.48Å; R370-D613 IonicContact NH2-OD2 4Å; A609-D613 PolarHBondContact O-N 3.39Å; E610-D613 PolarHBondContact O-N 2.92Å; D613-K616 PolarHBondContact O-N 3.15Å; D613-A617 WeakPolarHBondContact O-CB 3.4Å; D613-A617 PolarHBondContact O-N 3.49Å
614S79.4Confident81.1Confident3 Ų336.7 Ų36.72%0.02120%0.198CC..Hα-helixtrans-63.8-41.7174.7-166.50000112.6E369 R521 E610 L611 V612 A617 S618E369-S614 WeakPolarHBondContact OE2-CB 3.31Å; E369-S614 PolarHBondContact OE2-OG 2.89Å; R521-S614 PolarHBondContact NH1-OG 2.59Å; R521-S614 PolarHBondContact NH2-OG 3.28Å; R521-S614 VanDerWaalsContact NH2-OG 3.09Å; E610-S614 WeakPolarHBondContact O-CB 3.37Å; E610-S614 PolarHBondContact O-N 2.97Å; L611-S614 WeakPolarHBondContact O-CB 3.16Å; L611-S614 PolarHBondContact O-N 2.93Å; V612-S614 VanDerWaalsContact C-N 3.32Å; V612-S614 PolarHBondContact O-N 3.35Å; S614-A617 PolarHBondContact O-N 2.91Å; S614-S618 PolarHBondContact O-N 3.41Å; S614-S618 PolarHBondContact O-OG 3.4Å
615W88.1Confident80.5Confident5 Ų541.5 Ų41.52%0.01922%0.217CC..Hα-helixtrans-65.2-45.6174.5-88.1107.5000111.5R521 L525 F542 L544 F585 L611 V612 A617 S618 F619R521-W615 HydrophobicContact CB-CZ3 4.36Å; R521-W615 HydrophobicContact CG-CE3 4.43Å; R521-W615 HydrophobicContact CG-CH2 4.13Å; R521-W615 HydrophobicContact CG-CZ2 4.33Å; R521-W615 HydrophobicContact CG-CZ3 4.17Å; L525-W615 HydrophobicContact CD1-CD2 3.81Å; L525-W615 HydrophobicContact CD1-CE3 4.1Å; L525-W615 HydrophobicContact CD1-CG 4.31Å; L525-W615 HydrophobicContact CD1-CH2 4.13Å; L525-W615 HydrophobicContact CD1-CZ2 3.84Å; L525-W615 HydrophobicContact CD1-CZ3 4.25Å; L525-W615 HydrophobicContact CD2-CD2 4.41Å; L525-W615 HydrophobicContact CD2-CG 4.23Å; L525-W615 HydrophobicContact CG-CD2 4.35Å; L525-W615 HydrophobicContact CG-CZ2 3.97Å; F542-W615 HydrophobicContact CB-CH2 3.75Å; F542-W615 HydrophobicContact CB-CZ2 4.36Å; F542-W615 HydrophobicContact CB-CZ3 4.45Å; L544-W615 HydrophobicContact CB-CZ3 4.1Å; F585-W615 HydrophobicContact CE1-CB 4.06Å; F585-W615 HydrophobicContact CZ-CB 4.08Å; L611-W615 WeakPolarHBondContact O-CB 3.5Å; L611-W615 VanDerWaalsContact O-CD1 3.23Å; L611-W615 PolarHBondContact O-N 3.4Å; V612-W615 PolarHBondContact O-N 3.12Å; W615-A617 VanDerWaalsContact C-N 3.31Å; W615-A617 PolarHBondContact O-N 3.31Å; W615-S618 CarbonylContact O-C 3.54Å; W615-S618 WeakPolarHBondContact O-CA 3.48Å; W615-S618 WeakPolarHBondContact O-CB 3.47Å; W615-S618 PolarHBondContact O-N 3.4Å; W615-F619 HydrophobicContact CE3-CD2 4.46Å; W615-F619 AromaticContact CE3-CE2 3.89Å; W615-F619 HydrophobicContact CE3-CE2 3.89Å; W615-F619 HydrophobicContact CZ3-CE2 4.49Å; W615-F619 WeakPolarHBondContact O-CD2 3.42Å; W615-F619 PolarHBondContact O-N 3.46Å
616K84.6Confident80Confident18 Ų1844.5 Ų44.58%0.07824%0.236CC..Hα-helixtrans-56.4-44.9173.9-71.5174.4-177.1172.10111.6Y373 I571 D573 F585 V612 D613 S618 F619 L620Y373-K616 HydrophobicContact CE2-CB 4.19Å; I571-K616 HydrophobicContact CD1-CB 4.48Å; I571-K616 HydrophobicContact CG2-CG 4.27Å; D573-K616 WeakPolarHBondContact OD1-CE 3.28Å; D573-K616 IonicContact OD1-NZ 2.89Å; D573-K616 PolarHBondContact OD1-NZ 3.01Å; D573-K616 IonicContact OD2-NZ 2.64Å; F585-K616 HydrophobicContact CG-CG 4.36Å; V612-K616 HydrophobicContact CG1-CD 4.05Å; V612-K616 HydrophobicContact CG1-CG 4.43Å; V612-K616 WeakPolarHBondContact O-CG 3.37Å; V612-K616 PolarHBondContact O-N 3.33Å; D613-K616 PolarHBondContact O-N 3.15Å; K616-S618 VanDerWaalsContact C-N 3.27Å; K616-S618 PolarHBondContact O-N 3.42Å; K616-F619 PolarHBondContact O-N 3Å; K616-L620 WeakPolarHBondContact O-CG 3.35Å; K616-L620 PolarHBondContact O-N 2.75Å
617A74.9Confident79.2Confident9 Ų945.2 Ų45.27%0.07424%0.242CC..Hα-helixtrans-61.1-36174.800000112.6Y373 D613 S614 W615 L620 R621Y373-A617 HydrophobicContact CD2-CB 3.96Å; Y373-A617 HydrophobicContact CG-CB 4.28Å; D613-A617 WeakPolarHBondContact O-CB 3.4Å; D613-A617 PolarHBondContact O-N 3.49Å; S614-A617 PolarHBondContact O-N 2.91Å; W615-A617 VanDerWaalsContact C-N 3.31Å; W615-A617 PolarHBondContact O-N 3.31Å; A617-L620 WeakPolarHBondContact O-CB 3.5Å; A617-L620 PolarHBondContact O-N 3.43Å; A617-R621 PolarHBondContact O-N 2.79Å; A617-R621 VanDerWaalsContact O-N 3.16Å
618S81.4Confident78Confident4 Ų442.6 Ų42.63%0.02823%0.228CC..Hα-helixtrans-69.7-39.8176.1-55.60000112.1R521 L544 S614 W615 K616 L620 R621 A622R521-S618 WeakPolarHBondContact CD-OG 3.41Å; L544-S618 VanDerWaalsContact CD2-C 3.47Å; L544-S618 WeakPolarHBondContact CD2-O 3.4Å; S614-S618 PolarHBondContact O-N 3.41Å; S614-S618 PolarHBondContact O-OG 3.4Å; W615-S618 CarbonylContact O-C 3.54Å; W615-S618 WeakPolarHBondContact O-CA 3.48Å; W615-S618 WeakPolarHBondContact O-CB 3.47Å; W615-S618 PolarHBondContact O-N 3.4Å; K616-S618 VanDerWaalsContact C-N 3.27Å; K616-S618 PolarHBondContact O-N 3.42Å; S618-L620 VanDerWaalsContact C-N 3.33Å; S618-L620 PolarHBondContact O-N 2.82Å; S618-R621 WeakPolarHBondContact O-CB 3.42Å; S618-R621 PolarHBondContact O-N 2.87Å; S618-A622 PolarHBondContact O-N 2.93Å; S618-A622 VanDerWaalsContact O-N 3.17Å
619F83.2Confident76.4Confident0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-63.8-36.3172.6-83.5-72.5000112.5L544 L549 L566 I571 F585 L587 L604 W615 K616 R621 A622 G623 V624L544-F619 HydrophobicContact CD1-CD1 3.82Å; L544-F619 HydrophobicContact CD1-CE1 3.63Å; L544-F619 HydrophobicContact CD1-CZ 4.33Å; L544-F619 HydrophobicContact CD2-CD1 4.03Å; L544-F619 HydrophobicContact CD2-CD2 4.39Å; L544-F619 HydrophobicContact CD2-CE1 4.26Å; L544-F619 HydrophobicContact CD2-CG 4.08Å; L549-F619 HydrophobicContact CB-CE1 4.38Å; L549-F619 HydrophobicContact CD1-CE1 4.08Å; L549-F619 HydrophobicContact CD1-CZ 3.7Å; L549-F619 HydrophobicContact CD2-CE1 4Å; L549-F619 HydrophobicContact CD2-CZ 3.66Å; L549-F619 HydrophobicContact CG-CE1 4.38Å; L549-F619 HydrophobicContact CG-CZ 4.2Å; L566-F619 HydrophobicContact CD2-CD1 4.46Å; L566-F619 HydrophobicContact CD2-CE1 4.15Å; I571-F619 HydrophobicContact CD1-CB 3.58Å; I571-F619 HydrophobicContact CD1-CG 4.35Å; I571-F619 HydrophobicContact CG1-CB 4.46Å; F585-F619 AromaticContact CE2-CD2 3.91Å; F585-F619 HydrophobicContact CE2-CD2 3.91Å; F585-F619 AromaticContact CE2-CE2 3.75Å; F585-F619 HydrophobicContact CE2-CE2 3.75Å; F585-F619 HydrophobicContact CZ-CD2 4.02Å; F585-F619 AromaticContact CZ-CE2 3.66Å; F585-F619 HydrophobicContact CZ-CE2 3.66Å; L587-F619 HydrophobicContact CD1-CE1 3.75Å; L587-F619 HydrophobicContact CD1-CZ 3.83Å; L587-F619 HydrophobicContact CD2-CD1 4.34Å; L587-F619 HydrophobicContact CD2-CE1 4.27Å; L604-F619 HydrophobicContact CD1-CE2 4.33Å; L604-F619 HydrophobicContact CD1-CZ 4.18Å; W615-F619 HydrophobicContact CE3-CD2 4.46Å; W615-F619 AromaticContact CE3-CE2 3.89Å; W615-F619 HydrophobicContact CE3-CE2 3.89Å; W615-F619 HydrophobicContact CZ3-CE2 4.49Å; W615-F619 WeakPolarHBondContact O-CD2 3.42Å; W615-F619 PolarHBondContact O-N 3.46Å; K616-F619 PolarHBondContact O-N 3Å; F619-R621 VanDerWaalsContact C-N 3.33Å; F619-R621 PolarHBondContact O-N 2.87Å; F619-A622 CarbonylContact O-C 3.51Å; F619-A622 WeakPolarHBondContact O-CA 3.37Å; F619-A622 WeakPolarHBondContact O-CB 3.18Å; F619-A622 PolarHBondContact O-N 3.22Å; F619-G623 PolarHBondContact O-N 3.1Å; F619-G623 VanDerWaalsContact O-N 3.16Å; F619-V624 CarbonylContact C-O 3.5Å; F619-V624 HydrophobicContact CB-CB 4.13Å; F619-V624 HydrophobicContact CD1-CB 4.21Å; F619-V624 HydrophobicContact CD1-CG2 4.12Å; F619-V624 PolarHBondContact O-N 2.76Å
620L76.9Confident74.5Confident13 Ų1354.2 Ų54.27%0.06828%0.276CS..Hα-helixtrans-60.5-42.7171.4-69.7-174000111.9Y373 N376 K616 A617 S618 A622 G623 Y625Y373-L620 HydrophobicContact CD2-CD1 3.3Å; Y373-L620 HydrophobicContact CD2-CG 4.28Å; Y373-L620 HydrophobicContact CE2-CD1 3.76Å; Y373-L620 HydrophobicContact CG-CD1 4.24Å; N376-L620 HydrophobicContact CB-CD1 4.26Å; K616-L620 WeakPolarHBondContact O-CG 3.35Å; K616-L620 PolarHBondContact O-N 2.75Å; A617-L620 WeakPolarHBondContact O-CB 3.5Å; A617-L620 PolarHBondContact O-N 3.43Å; S618-L620 VanDerWaalsContact C-N 3.33Å; S618-L620 PolarHBondContact O-N 2.82Å; L620-A622 PolarHBondContact O-N 3.4Å; L620-G623 PolarHBondContact O-N 3.06Å; L620-Y625 HydrophobicContact CD2-CD1 3.79Å; L620-Y625 HydrophobicContact CD2-CE1 4.4Å; L620-Y625 HydrophobicContact CD2-CG 4.37Å
621R71.1Confident72.6Confident166 Ų16652.9 Ų52.963%0.62628%0.28SS*.Hα-helixtrans-62.2-22.4174.1-68.9177.662.2-164.3-3.2112.7I520 A617 S618 F619I520-R621 HydrophobicContact CD1-CB 4.39Å; I520-R621 HydrophobicContact CG2-CB 3.92Å; A617-R621 PolarHBondContact O-N 2.79Å; A617-R621 VanDerWaalsContact O-N 3.16Å; S618-R621 WeakPolarHBondContact O-CB 3.42Å; S618-R621 PolarHBondContact O-N 2.87Å; F619-R621 VanDerWaalsContact C-N 3.33Å; F619-R621 PolarHBondContact O-N 2.87Å
622A73.4Confident70.2Confident11 Ų1159.7 Ų59.79%0.09131%0.311CS..THydrogen-bonded Turntrans-90.71175.100000113.4I520 L544 L566 S618 F619 L620I520-A622 VanDerWaalsContact CD1-CA 3.49Å; I520-A622 HydrophobicContact CD1-CB 3.43Å; I520-A622 VanDerWaalsContact CD1-CB 3.43Å; L544-A622 HydrophobicContact CD1-CB 3.94Å; L544-A622 HydrophobicContact CD2-CB 4.24Å; L544-A622 HydrophobicContact CG-CB 4.22Å; L566-A622 HydrophobicContact CD1-CB 3.47Å; L566-A622 VanDerWaalsContact CD1-CB 3.47Å; S618-A622 PolarHBondContact O-N 2.93Å; S618-A622 VanDerWaalsContact O-N 3.17Å; F619-A622 CarbonylContact O-C 3.51Å; F619-A622 WeakPolarHBondContact O-CA 3.37Å; F619-A622 WeakPolarHBondContact O-CB 3.18Å; F619-A622 PolarHBondContact O-N 3.22Å; L620-A622 PolarHBondContact O-N 3.4Å
623G71.2Confident67.6Low41 Ų4167.8 Ų67.842%0.42335%0.345SS..THydrogen-bonded Turntrans83.116.2-179.700000115.2F619 L620 Y625F619-G623 PolarHBondContact O-N 3.1Å; F619-G623 VanDerWaalsContact O-N 3.16Å; L620-G623 PolarHBondContact O-N 3.06Å; G623-Y625 WeakPolarHBondContact O-CD2 3.46Å; G623-Y625 WeakPolarHBondContact O-CE2 3.46Å
624V79.3Confident64.9Low0 Ų070.7 Ų70.70%037%0.365CS..  trans-101.2109177.4-173.30000109.4L566 L569 I571 L587 F619L566-V624 HydrophobicContact CB-CG2 3.77Å; L566-V624 HydrophobicContact CD1-CG2 4.07Å; L566-V624 HydrophobicContact CD2-CG2 3.98Å; L566-V624 HydrophobicContact CG-CG2 4.12Å; L569-V624 HydrophobicContact CB-CG1 4Å; L569-V624 WeakPolarHBondContact O-CG1 3.44Å; I571-V624 HydrophobicContact CD1-CG1 4.46Å; I571-V624 WeakPolarHBondContact CD1-O 3.29Å; I571-V624 HydrophobicContact CG1-CG1 3.77Å; L587-V624 HydrophobicContact CD2-CG1 4.11Å; F619-V624 CarbonylContact C-O 3.5Å; F619-V624 HydrophobicContact CB-CB 4.13Å; F619-V624 HydrophobicContact CD1-CB 4.21Å; F619-V624 HydrophobicContact CD1-CG2 4.12Å; F619-V624 PolarHBondContact O-N 2.76Å
625Y78.3Confident62.5Low101 Ų10180 Ų8040%0.39641%0.408SS..EExtended strand (participates in β ladder)trans-100.6151.8-170.9-61.5-90.5000112.6E379 K570 I571 L620 G623E379-Y625 WeakPolarHBondContact OE2-CE1 3.41Å; K570-Y625 CarbonylContact C-O 3.4Å; K570-Y625 WeakPolarHBondContact CA-O 3.38Å; K570-Y625 WeakPolarHBondContact CB-O 3.27Å; I571-Y625 PolarHBondContact N-O 2.69Å; L620-Y625 HydrophobicContact CD2-CD1 3.79Å; L620-Y625 HydrophobicContact CD2-CE1 4.4Å; L620-Y625 HydrophobicContact CD2-CG 4.37Å; G623-Y625 WeakPolarHBondContact O-CD2 3.46Å; G623-Y625 WeakPolarHBondContact O-CE2 3.46Å
626P79.2Confident59.6Low66 Ų6688 Ų8843%0.42945%0.445SS..EExtended strand (participates in β ladder)trans-62142.3174.824.5-32.6000112.4I571I571-P626 HydrophobicContact CB-CB 4.48Å; I571-P626 CarbonylContact O-C 3.35Å; I571-P626 WeakPolarHBondContact O-CA 3.13Å
627A70.3Confident57Low28 Ų2891.8 Ų91.823%0.23147%0.474CS..PPolyproline II helixtrans-72.6132170.800000109.6K570 I571 F588 T629K570-A627 HydrophobicContact CB-CB 4.14Å; K570-A627 HydrophobicContact CD-CB 4.28Å; I571-A627 PolarHBondContact O-N 2.94Å; F588-A627 HydrophobicContact CE1-CB 3.44Å; F588-A627 VanDerWaalsContact CE1-CB 3.44Å; F588-A627 HydrophobicContact CZ-CB 3.28Å; A627-T629 PolarHBondContact O-N 2.95Å
628K59.9Low54.9Low112 Ų11298.5 Ų98.549%0.48751%0.509SS..PPolyproline II helixtrans-60.4124.1175.6-58.7172.6179.8170.90108.6D381 K630D381-K628 HydrophobicContact CB-CD 4.48Å; D381-K628 VanDerWaalsContact CG-CE 3.48Å; D381-K628 IonicContact OD1-NZ 3.67Å; D381-K628 PolarHBondContact OD1-NZ 2.91Å; D381-K628 VanDerWaalsContact OD2-CD 3.24Å; D381-K628 WeakPolarHBondContact OD2-CD 3.39Å; D381-K628 VanDerWaalsContact OD2-CE 3.3Å; D381-K628 WeakPolarHBondContact OD2-CE 3.33Å; D381-K628 IonicContact OD2-NZ 3.53Å; D381-K628 PolarHBondContact OD2-NZ 2.6Å; K628-K630 PolarHBondContact O-N 3.19Å
629T46.4Very low52.5Low135 Ų135102.7 Ų102.783%0.82854%0.539SS*.  trans-59.8103.5163.25.80000106.4A627 S631A627-T629 PolarHBondContact O-N 2.95Å; T629-S631 VanDerWaalsContact C-N 3.27Å; T629-S631 PolarHBondContact O-N 2.99Å
630K38.9Very low50Low198 Ų198108.8 Ų108.886%0.86158%0.581SS**  trans-58.5102.6165.3-83.5-172.9174.7-175.50105.4K628 E632K628-K630 PolarHBondContact O-N 3.19Å; K630-E632 PolarHBondContact O-N 3.17Å
631S37.7Very low48Very low92 Ų92113 Ų11364%0.64361%0.612SS**  trans-59.4111.2167.9-63.90000105.2T629 K633T629-S631 VanDerWaalsContact C-N 3.27Å; T629-S631 PolarHBondContact O-N 2.99Å; S631-K633 PolarHBondContact O-N 3.46Å
632E31Very low46.5Very low195 Ų195110.5 Ų110.591%0.91161%0.61SS**  trans-60.985.7163.7-73.2-178.3162.600106.7K630K630-E632 PolarHBondContact O-N 3.17Å
633K31.1Very low44.6Very low176 Ų176119.1 Ų119.177%0.76565%0.648SS**  trans-118.693.7169.9-77.8-171.1178-178.50107.1S631S631-K633 PolarHBondContact O-N 3.46Å
634T27.1Very low43.1Very low111 Ų111121.3 Ų121.368%0.68166%0.663SS**  50.3106.5126.9-30.80000114.8Q636T634-Q636 VanDerWaalsContact C-N 3.26Å; T634-Q636 PolarHBondContact O-N 3.19Å
635E28.5Very low41.5Very low199 Ų199124.5 Ų124.593%0.9369%0.685SS**  trans-41.992.6152.8-62.2177.8160.800109.9
636Q28Very low40.7Very low172 Ų172126 Ų12680%0.80470%0.695SS**  trans-118.295.7157.5-84.4-175.8-5.700106T634T634-Q636 VanDerWaalsContact C-N 3.26Å; T634-Q636 PolarHBondContact O-N 3.19Å
637S28.2Very low40.2Very low98 Ų98127.5 Ų127.569%0.68571%0.706SS**  trans-29136.4150.751.60000112.7
638D30.8Very low40.4Very low151 Ų151133.2 Ų133.281%0.80773%0.727SS**  trans127.274.7150.9-62.3-13.9000113.2
639S32.4Very low41.4Very low92 Ų92128.7 Ų128.764%0.64371%0.709SS**  trans175.955.813943.50000111.2S641S639-S641 PolarHBondContact O-N 3.16Å
640S30.6Very low43Very low127 Ų127127.4 Ų127.489%0.88869%0.693SS**THydrogen-bonded Turntrans-74.542.7170.557.60000112.8
641S34.9Very low44.9Very low102 Ų102123.4 Ų123.471%0.71367%0.673SS**THydrogen-bonded Turntrans-147.622.7-172.555.80000116.3S639S639-S641 PolarHBondContact O-N 3.16Å
642L38.4Very low47Very low114 Ų114121.4 Ų121.460%0.59765%0.653SS**  trans-113.919174.7-71.5174.7000114.3A644L642-A644 VanDerWaalsContact C-N 3.31Å; L642-A644 PolarHBondContact O-N 3.49Å
643E33.8Very low49.7Very low191 Ų191112.6 Ų112.689%0.89361%0.613SS**  trans-82.115.5-174.9-69.4-163.3157.900116.3S645E643-S645 VanDerWaalsContact C-N 3.26Å; E643-S645 PolarHBondContact O-N 3.4Å; E643-S645 VanDerWaalsContact O-N 3.1Å
644A39.3Very low52.4Low88 Ų88105 Ų10573%0.72758%0.58SS**  trans-83.680.2161.600000108L642 E646L642-A644 VanDerWaalsContact C-N 3.31Å; L642-A644 PolarHBondContact O-N 3.49Å; A644-E646 PolarHBondContact O-N 3.16Å
645S47.4Very low55.2Low66 Ų66100.7 Ų100.746%0.46255%0.552SS.*  trans-66.4107.3172.461.60000108.9E643 P647 E650E643-S645 VanDerWaalsContact C-N 3.26Å; E643-S645 PolarHBondContact O-N 3.4Å; E643-S645 VanDerWaalsContact O-N 3.1Å; S645-P647 WeakPolarHBondContact O-CD 3.5Å; S645-E650 WeakPolarHBondContact CB-OE1 3.33Å; S645-E650 PolarHBondContact OG-OE1 3.43Å
646E59.7Low58Low132 Ų13291.2 Ų91.262%0.61751%0.508SS*.  trans-63116.5169.6-78.7179.1160.800107.3A644 Q648 L649 E650A644-E646 PolarHBondContact O-N 3.16Å; E646-Q648 PolarHBondContact O-N 3.4Å; E646-L649 HydrophobicContact CB-CB 4.15Å; E646-L649 WeakPolarHBondContact O-CB 3.16Å; E646-L649 PolarHBondContact O-N 3.27Å; E646-E650 PolarHBondContact O-N 3.47Å
647P69.7Low61Low99 Ų9984.6 Ų84.664%0.64348%0.476SS*.Hα-helixtrans-59.1-22.6-177.120.1-31.4000112.4S645 R651S645-P647 WeakPolarHBondContact O-CD 3.5Å; P647-R651 PolarHBondContact O-N 2.91Å
648Q74.8Confident63.9Low148 Ų14880.4 Ų80.469%0.69245%0.446SS*.Hα-helixtrans-67.8-41.9172-65.1-176-3.600112.7E646 R651 Q652E646-Q648 PolarHBondContact O-N 3.4Å; Q648-R651 PolarHBondContact O-N 3.39Å; Q648-Q652 WeakPolarHBondContact O-CG 3.2Å; Q648-Q652 PolarHBondContact O-N 3.06Å
649L80.1Confident66.7Low17 Ų1773.2 Ų73.29%0.08941%0.407CS..Hα-helixtrans-67-43.8178.817963.8000110.9I393 R394 E646 R651 Q652 V653I393-L649 HydrophobicContact CB-CD1 4.03Å; I393-L649 HydrophobicContact CD1-CD1 3.96Å; I393-L649 HydrophobicContact CG2-CD1 3.56Å; R394-L649 HydrophobicContact CG-CD2 4.46Å; E646-L649 HydrophobicContact CB-CB 4.15Å; E646-L649 WeakPolarHBondContact O-CB 3.16Å; E646-L649 PolarHBondContact O-N 3.27Å; L649-R651 VanDerWaalsContact C-N 3.3Å; L649-R651 PolarHBondContact O-N 2.85Å; L649-Q652 PolarHBondContact O-N 3.34Å; L649-V653 HydrophobicContact CD1-CG2 4.38Å; L649-V653 HydrophobicContact CG-CG2 4.43Å; L649-V653 VanDerWaalsContact O-CG2 3.25Å; L649-V653 WeakPolarHBondContact O-CG2 3.22Å; L649-V653 PolarHBondContact O-N 3.38Å
650E80.3Confident69.5Low107 Ų10769 Ų6950%0.538%0.378SS..Hα-helixtrans-58.4-43.4176.5-69.4178.7161.800111.7S645 E646 V653 E654S645-E650 WeakPolarHBondContact CB-OE1 3.33Å; S645-E650 PolarHBondContact OG-OE1 3.43Å; E646-E650 PolarHBondContact O-N 3.47Å; E650-V653 PolarHBondContact O-N 3.04Å; E650-E654 PolarHBondContact O-N 3.29Å
651R78.9Confident72.3Confident115 Ų11565.6 Ų65.643%0.43435%0.349SS..Hα-helixtrans-62.3-45.8175.5-170.7179.6-174.7-156.1-2.7112E501 P647 Q648 L649 V653 E654 I655E501-R651 VanDerWaalsContact CG-NH2 3.27Å; E501-R651 IonicContact OE1-CZ 3.92Å; E501-R651 VanDerWaalsContact OE1-CZ 3.27Å; E501-R651 IonicContact OE1-NH1 3.8Å; E501-R651 IonicContact OE1-NH2 2.92Å; E501-R651 PolarHBondContact OE1-NH2 3.34Å; P647-R651 PolarHBondContact O-N 2.91Å; Q648-R651 PolarHBondContact O-N 3.39Å; L649-R651 VanDerWaalsContact C-N 3.3Å; L649-R651 PolarHBondContact O-N 2.85Å; R651-V653 VanDerWaalsContact C-N 3.33Å; R651-V653 PolarHBondContact O-N 3.46Å; R651-E654 PolarHBondContact O-N 3.27Å; R651-I655 HydrophobicContact CG-CD1 4.16Å; R651-I655 VanDerWaalsContact O-CG1 3.31Å; R651-I655 WeakPolarHBondContact O-CG1 3.49Å; R651-I655 PolarHBondContact O-N 2.83Å
652Q82.9Confident75Confident49 Ų4961.2 Ų61.223%0.22932%0.319CS..Hα-helixtrans-61.8-40.5177-73.2179.67.600112.1I393 Q648 L649 E654 I655 I656I393-Q652 HydrophobicContact CD1-CB 3.97Å; Q648-Q652 WeakPolarHBondContact O-CG 3.2Å; Q648-Q652 PolarHBondContact O-N 3.06Å; L649-Q652 PolarHBondContact O-N 3.34Å; Q652-E654 VanDerWaalsContact C-N 3.33Å; Q652-E654 PolarHBondContact O-N 3.01Å; Q652-I655 PolarHBondContact O-N 3.13Å; Q652-I656 PolarHBondContact O-N 3.26Å
653V87.5Confident77.6Confident11 Ų1156 Ų567%0.06729%0.291CS..Hα-helixtrans-59.5-44.9176169.20000110.9R386 I389 I393 L649 E650 R651 I656 R657R386-V653 HydrophobicContact CB-CG1 3.9Å; R386-V653 HydrophobicContact CG-CG1 4.03Å; I389-V653 HydrophobicContact CB-CG1 4.25Å; I389-V653 HydrophobicContact CG2-CB 4.17Å; I389-V653 HydrophobicContact CG2-CG1 4.12Å; I389-V653 HydrophobicContact CG2-CG2 4.03Å; I393-V653 HydrophobicContact CD1-CG2 3.75Å; L649-V653 HydrophobicContact CD1-CG2 4.38Å; L649-V653 HydrophobicContact CG-CG2 4.43Å; L649-V653 VanDerWaalsContact O-CG2 3.25Å; L649-V653 WeakPolarHBondContact O-CG2 3.22Å; L649-V653 PolarHBondContact O-N 3.38Å; E650-V653 PolarHBondContact O-N 3.04Å; R651-V653 VanDerWaalsContact C-N 3.33Å; R651-V653 PolarHBondContact O-N 3.46Å; V653-I656 PolarHBondContact O-N 3Å; V653-R657 WeakPolarHBondContact O-CB 3.29Å; V653-R657 PolarHBondContact O-N 3.42Å
654E86.3Confident80.4Confident15 Ų1547.7 Ų47.77%0.0725%0.252CS..Hα-helixtrans-67-40.9179.9-169.759.2-13800112.5R386 E650 R651 Q652 R657 N658R386-E654 IonicContact CZ-OE2 2.63Å; R386-E654 IonicContact NH1-OE2 3.05Å; R386-E654 PolarHBondContact NH1-OE2 2.98Å; R386-E654 IonicContact NH2-OE1 3.04Å; R386-E654 IonicContact NH2-OE2 3.39Å; R386-E654 PolarHBondContact NH2-OE2 2.92Å; E650-E654 PolarHBondContact O-N 3.29Å; R651-E654 PolarHBondContact O-N 3.27Å; Q652-E654 VanDerWaalsContact C-N 3.33Å; Q652-E654 PolarHBondContact O-N 3.01Å; E654-R657 WeakPolarHBondContact O-CB 3.07Å; E654-R657 PolarHBondContact O-N 3.01Å; E654-R657 IonicContact OE1-CZ 2.8Å; E654-R657 IonicContact OE1-NE 3.65Å; E654-R657 PolarHBondContact OE1-NE 3.16Å; E654-R657 IonicContact OE1-NH2 3.96Å; E654-R657 PolarHBondContact OE1-NH2 2.91Å; E654-R657 IonicContact OE2-NE 3.27Å; E654-N658 PolarHBondContact O-N 3.46Å; E654-N658 PolarHBondContact O-ND2 3.31Å
655I86Confident82.9Confident21 Ų2149.3 Ų49.311%0.10824%0.243CC..Hα-helixtrans-59.6-52.2175.3-67168.1000110.1F497 A500 E501 R651 Q652 R657 N658 L659F497-I655 HydrophobicContact CD1-CG2 4.26Å; A500-I655 HydrophobicContact CB-CG2 4.17Å; E501-I655 HydrophobicContact CB-CD1 4.13Å; E501-I655 HydrophobicContact CB-CG1 4.39Å; E501-I655 HydrophobicContact CG-CD1 3.95Å; R651-I655 HydrophobicContact CG-CD1 4.16Å; R651-I655 VanDerWaalsContact O-CG1 3.31Å; R651-I655 WeakPolarHBondContact O-CG1 3.49Å; R651-I655 PolarHBondContact O-N 2.83Å; Q652-I655 PolarHBondContact O-N 3.13Å; I655-R657 VanDerWaalsContact C-N 3.3Å; I655-R657 PolarHBondContact O-N 3.34Å; I655-N658 PolarHBondContact O-N 3.05Å; I655-L659 HydrophobicContact CG2-CD1 3.93Å; I655-L659 VanDerWaalsContact O-CG 3.3Å; I655-L659 WeakPolarHBondContact O-CG 3.29Å; I655-L659 PolarHBondContact O-N 3.14Å
656I88.4Confident85.1Confident0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-62-39.9179-70.3159.1000110.6I389 I393 A409 F410 Q652 V653 N658 L659 V660I389-I656 HydrophobicContact CD1-CG2 4.09Å; I389-I656 HydrophobicContact CG1-CG2 4Å; I389-I656 HydrophobicContact CG2-CB 3.81Å; I389-I656 HydrophobicContact CG2-CD1 4.01Å; I389-I656 HydrophobicContact CG2-CG2 3.72Å; I393-I656 HydrophobicContact CD1-CD1 3.67Å; I393-I656 HydrophobicContact CG1-CD1 3.73Å; A409-I656 HydrophobicContact CB-CD1 3.63Å; F410-I656 HydrophobicContact CB-CG1 4.46Å; F410-I656 HydrophobicContact CB-CG2 4.2Å; Q652-I656 PolarHBondContact O-N 3.26Å; V653-I656 PolarHBondContact O-N 3Å; I656-N658 PolarHBondContact O-N 3.35Å; I656-L659 PolarHBondContact O-N 2.99Å; I656-V660 HydrophobicContact CG2-CG2 3.98Å; I656-V660 WeakPolarHBondContact O-CB 3.44Å; I656-V660 WeakPolarHBondContact O-CG2 2.89Å; I656-V660 PolarHBondContact O-N 3.34Å
657R90.2Very high86.8Confident34 Ų3440.6 Ų40.613%0.12820%0.195CC..Hα-helixtrans-57.4-49.5176-170.4-161.971.77710.9111.5E382 L385 I389 V653 E654 I655 L659 V660 D661E382-R657 IonicContact OE1-CZ 2.64Å; E382-R657 IonicContact OE1-NE 3.58Å; E382-R657 IonicContact OE1-NH1 3.16Å; E382-R657 PolarHBondContact OE1-NH1 2.76Å; L385-R657 HydrophobicContact CD2-CG 4.16Å; I389-R657 HydrophobicContact CD1-CB 3.89Å; I389-R657 HydrophobicContact CD1-CG 4.44Å; V653-R657 WeakPolarHBondContact O-CB 3.29Å; V653-R657 PolarHBondContact O-N 3.42Å; E654-R657 WeakPolarHBondContact O-CB 3.07Å; E654-R657 PolarHBondContact O-N 3.01Å; E654-R657 IonicContact OE1-CZ 2.8Å; E654-R657 IonicContact OE1-NE 3.65Å; E654-R657 PolarHBondContact OE1-NE 3.16Å; E654-R657 IonicContact OE1-NH2 3.96Å; E654-R657 PolarHBondContact OE1-NH2 2.91Å; E654-R657 IonicContact OE2-NE 3.27Å; I655-R657 VanDerWaalsContact C-N 3.3Å; I655-R657 PolarHBondContact O-N 3.34Å; R657-L659 VanDerWaalsContact C-N 3.32Å; R657-L659 PolarHBondContact O-N 2.89Å; R657-V660 PolarHBondContact O-N 3.36Å; R657-D661 WeakPolarHBondContact O-CB 3.38Å; R657-D661 PolarHBondContact O-N 3.47Å
658N88.7Confident87.9Confident10 Ų1037.5 Ų37.55%0.05317%0.173CC..Hα-helixtrans-61.1-40.4178.1-75.4-33.2000112.3I495 A500 E654 I655 I656 S662I495-N658 HydrophobicContact CD1-CB 4.18Å; A500-N658 HydrophobicContact CB-CB 4Å; E654-N658 PolarHBondContact O-N 3.46Å; E654-N658 PolarHBondContact O-ND2 3.31Å; I655-N658 PolarHBondContact O-N 3.05Å; I656-N658 PolarHBondContact O-N 3.35Å; N658-S662 VanDerWaalsContact O-CB 3.31Å; N658-S662 WeakPolarHBondContact O-CB 3.28Å; N658-S662 PolarHBondContact O-N 3.38Å
659L90.8Very high88.8Confident0 Ų037.1 Ų37.10%017%0.169CC..Hα-helixtrans-66.3-47.1176.2-65.7168.8000111.4F410 F494 I495 G496 F497 A500 I655 I656 R657 D661 S662 Y663F410-L659 HydrophobicContact CD2-CB 3.53Å; F410-L659 VanDerWaalsContact CE2-C 3.44Å; F410-L659 HydrophobicContact CE2-CB 3.59Å; F410-L659 WeakPolarHBondContact CE2-O 3.38Å; F410-L659 HydrophobicContact CG-CB 4.38Å; F410-L659 HydrophobicContact CZ-CB 4.44Å; F494-L659 HydrophobicContact CE1-CD2 4.26Å; F494-L659 HydrophobicContact CE2-CB 4.48Å; F494-L659 HydrophobicContact CE2-CD2 4.24Å; F494-L659 WeakPolarHBondContact CE2-O 3.21Å; F494-L659 HydrophobicContact CZ-CB 4.25Å; F494-L659 HydrophobicContact CZ-CD2 3.65Å; I495-L659 HydrophobicContact CG1-CD2 4.31Å; G496-L659 WeakPolarHBondContact O-CD2 3.29Å; F497-L659 HydrophobicContact CD1-CD1 3.5Å; F497-L659 VanDerWaalsContact CD1-CD1 3.5Å; F497-L659 HydrophobicContact CE1-CD1 3.24Å; F497-L659 HydrophobicContact CE2-CD1 4.33Å; F497-L659 HydrophobicContact CG-CD1 4.13Å; F497-L659 HydrophobicContact CZ-CD1 3.71Å; A500-L659 HydrophobicContact CB-CD2 3.66Å; A500-L659 HydrophobicContact CB-CG 3.74Å; I655-L659 HydrophobicContact CG2-CD1 3.93Å; I655-L659 VanDerWaalsContact O-CG 3.3Å; I655-L659 WeakPolarHBondContact O-CG 3.29Å; I655-L659 PolarHBondContact O-N 3.14Å; I656-L659 PolarHBondContact O-N 2.99Å; R657-L659 VanDerWaalsContact C-N 3.32Å; R657-L659 PolarHBondContact O-N 2.89Å; L659-D661 VanDerWaalsContact C-N 3.34Å; L659-D661 PolarHBondContact O-N 2.9Å; L659-S662 PolarHBondContact O-N 3.28Å; L659-Y663 WeakPolarHBondContact O-CB 3.5Å; L659-Y663 PolarHBondContact O-N 2.95Å
660V91.7Very high89.5Confident4 Ų438.5 Ų38.52%0.02418%0.178CC..Hα-helixtrans-57.2-49.6176.9171.90000109.7F410 I413 Q417 I656 R657 S662 Y663 M664F410-V660 HydrophobicContact CD2-CG2 3.88Å; F410-V660 HydrophobicContact CE2-CG2 4.32Å; I413-V660 HydrophobicContact CB-CG2 4.11Å; I413-V660 HydrophobicContact CG2-CG1 4.13Å; I413-V660 HydrophobicContact CG2-CG2 3.73Å; Q417-V660 HydrophobicContact CG-CG1 4.36Å; I656-V660 HydrophobicContact CG2-CG2 3.98Å; I656-V660 WeakPolarHBondContact O-CB 3.44Å; I656-V660 WeakPolarHBondContact O-CG2 2.89Å; I656-V660 PolarHBondContact O-N 3.34Å; R657-V660 PolarHBondContact O-N 3.36Å; V660-S662 PolarHBondContact O-N 3.37Å; V660-Y663 PolarHBondContact O-N 2.82Å; V660-M664 HydrophobicContact CG1-CG 4.1Å; V660-M664 VanDerWaalsContact O-CB 3.26Å; V660-M664 WeakPolarHBondContact O-CB 3.33Å; V660-M664 WeakPolarHBondContact O-CG 3.44Å; V660-M664 PolarHBondContact O-N 3.24Å
661D89.5Confident90.2Very high54 Ų5433.4 Ų33.429%0.28915%0.154SC..Hα-helixtrans-60.5-46.5179.1179.147000112R657 L659 Y663 M664 K665R657-D661 WeakPolarHBondContact O-CB 3.38Å; R657-D661 PolarHBondContact O-N 3.47Å; L659-D661 VanDerWaalsContact C-N 3.34Å; L659-D661 PolarHBondContact O-N 2.9Å; D661-Y663 PolarHBondContact O-N 3Å; D661-M664 PolarHBondContact O-N 2.93Å; D661-K665 WeakPolarHBondContact O-CG 3.49Å; D661-K665 PolarHBondContact O-N 3.36Å; D661-K665 VanDerWaalsContact OD1-CE 3.23Å; D661-K665 WeakPolarHBondContact OD1-CE 3.27Å; D661-K665 IonicContact OD1-NZ 2.71Å; D661-K665 PolarHBondContact OD1-NZ 2.86Å; D661-K665 WeakPolarHBondContact OD2-CE 3.33Å; D661-K665 IonicContact OD2-NZ 2.97Å; D661-K665 PolarHBondContact OD2-NZ 3.49Å
662S90.5Very high91Very high10 Ų1030.1 Ų30.17%0.0715%0.145CC..Hα-helixtrans-60.1-46176.9174.90000112.4F494 I495 N658 L659 V660F494-S662 WeakPolarHBondContact CD2-OG 3.24Å; I495-S662 PolarHBondContact N-OG 2.97Å; I495-S662 VanDerWaalsContact N-OG 3.15Å; N658-S662 VanDerWaalsContact O-CB 3.31Å; N658-S662 WeakPolarHBondContact O-CB 3.28Å; N658-S662 PolarHBondContact O-N 3.38Å; L659-S662 PolarHBondContact O-N 3.28Å; V660-S662 PolarHBondContact O-N 3.37Å
663Y93.6Very high91.7Very high6 Ų631.3 Ų31.32%0.02415%0.153CC..Hα-helixtrans-68.5-44.1-179.9-163.5-99.7000111.6F410 T414 I418 M487 N488 F494 L659 V660 D661 K665 I666 V667F410-Y663 HydrophobicContact CZ-CG 4.25Å; T414-Y663 HydrophobicContact CG2-CD1 3.39Å; T414-Y663 HydrophobicContact CG2-CE1 4.07Å; T414-Y663 HydrophobicContact CG2-CG 4.2Å; I418-Y663 HydrophobicContact CD1-CD1 4.43Å; I418-Y663 HydrophobicContact CD1-CE1 4Å; M487-Y663 VanDerWaalsContact CA-OH 3.3Å; M487-Y663 WeakPolarHBondContact CA-OH 3.42Å; M487-Y663 HydrophobicContact CB-CE1 4.39Å; M487-Y663 HydrophobicContact CE-CD1 4.24Å; M487-Y663 HydrophobicContact CE-CE1 4.26Å; M487-Y663 HydrophobicContact CG-CE1 4.13Å; N488-Y663 PolarHBondContact N-OH 3.27Å; N488-Y663 WeakPolarHBondContact O-CE2 3.27Å; F494-Y663 AromaticContact CD2-CD2 3.93Å; F494-Y663 HydrophobicContact CD2-CD2 3.93Å; F494-Y663 HydrophobicContact CE2-CD2 4.08Å; F494-Y663 HydrophobicContact CE2-CG 4.4Å; F494-Y663 HydrophobicContact CG-CD2 4.46Å; L659-Y663 WeakPolarHBondContact O-CB 3.5Å; L659-Y663 PolarHBondContact O-N 2.95Å; V660-Y663 PolarHBondContact O-N 2.82Å; D661-Y663 PolarHBondContact O-N 3Å; Y663-K665 VanDerWaalsContact C-N 3.29Å; Y663-K665 PolarHBondContact O-N 3.3Å; Y663-I666 WeakPolarHBondContact O-CB 3.48Å; Y663-I666 PolarHBondContact O-N 3.02Å; Y663-I666 VanDerWaalsContact O-N 3.09Å; Y663-V667 HydrophobicContact CD1-CG2 3.8Å; Y663-V667 HydrophobicContact CE1-CG2 3.48Å; Y663-V667 VanDerWaalsContact CE1-CG2 3.48Å; Y663-V667 PolarHBondContact O-N 2.96Å; Y663-V667 VanDerWaalsContact O-N 3.15Å
664M92.5Very high92.2Very high15 Ų1533.6 Ų33.67%0.07417%0.165CC..Hα-helixtrans-61.6-36.4179.4-74.2-56.7-59.100112.2T414 Q417 I418 M421 V660 D661 I666 V667 I668T414-M664 HydrophobicContact CG2-SD 4.27Å; Q417-M664 HydrophobicContact CB-CE 3.75Å; Q417-M664 HydrophobicContact CB-CG 4.08Å; Q417-M664 HydrophobicContact CB-SD 3.59Å; Q417-M664 VanDerWaalsContact CB-SD 3.59Å; I418-M664 HydrophobicContact CG1-CE 4.37Å; I418-M664 HydrophobicContact CG1-SD 3.67Å; M421-M664 HydrophobicContact CE-CE 4.33Å; M421-M664 HydrophobicContact CG-CE 4.41Å; M421-M664 HydrophobicContact SD-CE 3.98Å; V660-M664 HydrophobicContact CG1-CG 4.1Å; V660-M664 VanDerWaalsContact O-CB 3.26Å; V660-M664 WeakPolarHBondContact O-CB 3.33Å; V660-M664 WeakPolarHBondContact O-CG 3.44Å; V660-M664 PolarHBondContact O-N 3.24Å; D661-M664 PolarHBondContact O-N 2.93Å; M664-I666 VanDerWaalsContact C-N 3.28Å; M664-I666 PolarHBondContact O-N 2.94Å; M664-V667 PolarHBondContact O-N 2.81Å; M664-I668 HydrophobicContact CB-CD1 4.42Å; M664-I668 HydrophobicContact CE-CD1 4.28Å; M664-I668 HydrophobicContact CE-CG1 4.32Å; M664-I668 VanDerWaalsContact O-CB 3.27Å; M664-I668 WeakPolarHBondContact O-CB 3.41Å; M664-I668 VanDerWaalsContact O-CG1 3.24Å; M664-I668 WeakPolarHBondContact O-CG1 3.05Å; M664-I668 PolarHBondContact O-N 3.18Å
665K91.1Very high92.7Very high123 Ų12332.9 Ų32.954%0.53516%0.161SC..Hα-helixtrans-56.9-40.9173.6-78.5170.4-174.3158.80112.7D661 Y663 K669D661-K665 WeakPolarHBondContact O-CG 3.49Å; D661-K665 PolarHBondContact O-N 3.36Å; D661-K665 VanDerWaalsContact OD1-CE 3.23Å; D661-K665 WeakPolarHBondContact OD1-CE 3.27Å; D661-K665 IonicContact OD1-NZ 2.71Å; D661-K665 PolarHBondContact OD1-NZ 2.86Å; D661-K665 WeakPolarHBondContact OD2-CE 3.33Å; D661-K665 IonicContact OD2-NZ 2.97Å; D661-K665 PolarHBondContact OD2-NZ 3.49Å; Y663-K665 VanDerWaalsContact C-N 3.29Å; Y663-K665 PolarHBondContact O-N 3.3Å; K665-K669 VanDerWaalsContact O-CB 3.25Å; K665-K669 WeakPolarHBondContact O-CB 3.27Å; K665-K669 PolarHBondContact O-N 2.9Å
666I93.6Very high93.3Very high13 Ų1332.5 Ų32.57%0.06716%0.161CC..Hα-helixtrans-66.1-49.2178.4-60.7163.6000110.2H491 D493 F494 Y663 M664 K669 T670H491-I666 HydrophobicContact CB-CD1 4.25Å; H491-I666 WeakPolarHBondContact NE2-CG2 3.27Å; D493-I666 HydrophobicContact CB-CD1 4.04Å; D493-I666 HydrophobicContact CB-CG1 3.93Å; F494-I666 HydrophobicContact CB-CD1 3.8Å; F494-I666 HydrophobicContact CD2-CD1 4.42Å; Y663-I666 WeakPolarHBondContact O-CB 3.48Å; Y663-I666 PolarHBondContact O-N 3.02Å; Y663-I666 VanDerWaalsContact O-N 3.09Å; M664-I666 VanDerWaalsContact C-N 3.28Å; M664-I666 PolarHBondContact O-N 2.94Å; I666-K669 PolarHBondContact O-N 2.76Å; I666-T670 PolarHBondContact O-N 3.32Å; I666-T670 PolarHBondContact O-OG1 3.42Å
667V95.2Very high93.8Very high1 Ų138.1 Ų38.11%0.00619%0.185CC..Hα-helixtrans-66-43.8-177.8-173.50000111.1I418 M421 Q483 Y663 M664 K669 T670 Q671I418-V667 HydrophobicContact CD1-CG2 4.33Å; I418-V667 HydrophobicContact CG1-CG1 4.43Å; M421-V667 HydrophobicContact CE-CB 4.22Å; M421-V667 HydrophobicContact CE-CG1 3.24Å; M421-V667 HydrophobicContact SD-CG1 4.2Å; Q483-V667 HydrophobicContact CB-CG1 4.06Å; Q483-V667 HydrophobicContact CG-CG1 3.8Å; Y663-V667 HydrophobicContact CD1-CG2 3.8Å; Y663-V667 HydrophobicContact CE1-CG2 3.48Å; Y663-V667 VanDerWaalsContact CE1-CG2 3.48Å; Y663-V667 PolarHBondContact O-N 2.96Å; Y663-V667 VanDerWaalsContact O-N 3.15Å; M664-V667 PolarHBondContact O-N 2.81Å; V667-K669 PolarHBondContact O-N 3.23Å; V667-T670 WeakPolarHBondContact O-CB 3.48Å; V667-T670 PolarHBondContact O-N 2.76Å; V667-Q671 HydrophobicContact CG1-CG 4.35Å; V667-Q671 WeakPolarHBondContact O-CG 3.39Å; V667-Q671 PolarHBondContact O-N 3.14Å
668I93.6Very high94.2Very high35 Ų3537.7 Ų37.718%0.17919%0.185CC..Hα-helixtrans-59.6-48.3176.3-73.4167.8000110.4M375 M421 M664 T670 Q671 L672M375-I668 HydrophobicContact CG-CB 4.45Å; M375-I668 HydrophobicContact CG-CG1 4.09Å; M375-I668 HydrophobicContact CG-CG2 3.78Å; M421-I668 HydrophobicContact SD-CG1 3.81Å; M664-I668 HydrophobicContact CB-CD1 4.42Å; M664-I668 HydrophobicContact CE-CD1 4.28Å; M664-I668 HydrophobicContact CE-CG1 4.32Å; M664-I668 VanDerWaalsContact O-CB 3.27Å; M664-I668 WeakPolarHBondContact O-CB 3.41Å; M664-I668 VanDerWaalsContact O-CG1 3.24Å; M664-I668 WeakPolarHBondContact O-CG1 3.05Å; M664-I668 PolarHBondContact O-N 3.18Å; I668-T670 VanDerWaalsContact C-N 3.26Å; I668-T670 PolarHBondContact O-N 2.87Å; I668-Q671 PolarHBondContact O-N 2.99Å; I668-Q671 VanDerWaalsContact O-N 3.17Å; I668-L672 HydrophobicContact CG2-CD1 3.86Å; I668-L672 HydrophobicContact CG2-CG 4.15Å; I668-L672 WeakPolarHBondContact O-CB 3.31Å; I668-L672 VanDerWaalsContact O-CG 3.27Å; I668-L672 WeakPolarHBondContact O-CG 3.46Å; I668-L672 PolarHBondContact O-N 2.84Å
669K93.5Very high94.7Very high139 Ų13937.2 Ų37.260%0.60418%0.182SC*.Hα-helixtrans-57.6-40.8177-176.6-178.8176.8-171.60111.8D493 K665 I666 V667 D673D493-K669 IonicContact OD2-NZ 2.6Å; K665-K669 VanDerWaalsContact O-CB 3.25Å; K665-K669 WeakPolarHBondContact O-CB 3.27Å; K665-K669 PolarHBondContact O-N 2.9Å; I666-K669 PolarHBondContact O-N 2.76Å; V667-K669 PolarHBondContact O-N 3.23Å; K669-D673 PolarHBondContact O-N 2.62Å
670T95.3Very high95Very high46 Ų4640.1 Ų40.128%0.28220%0.197SC..Hα-helixtrans-65.7-45.6176.3-56.30000111.5I666 V667 I668 D673 L674I666-T670 PolarHBondContact O-N 3.32Å; I666-T670 PolarHBondContact O-OG1 3.42Å; V667-T670 WeakPolarHBondContact O-CB 3.48Å; V667-T670 PolarHBondContact O-N 2.76Å; I668-T670 VanDerWaalsContact C-N 3.26Å; I668-T670 PolarHBondContact O-N 2.87Å; T670-D673 PolarHBondContact O-N 3.04Å; T670-L674 HydrophobicContact CG2-CD1 3.71Å; T670-L674 HydrophobicContact CG2-CG 4.19Å; T670-L674 WeakPolarHBondContact O-CG 3.45Å; T670-L674 PolarHBondContact O-N 3.08Å
671Q94.9Very high95.3Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-64.7-41.4178.6-72.5-65-12.900112.5M375 M421 L479 V667 I668 D673 L674 V675M375-Q671 HydrophobicContact CE-CB 4.25Å; M421-Q671 HydrophobicContact CE-CG 4.11Å; M421-Q671 HydrophobicContact SD-CG 4.16Å; L479-Q671 PolarHBondContact O-NE2 2.86Å; V667-Q671 HydrophobicContact CG1-CG 4.35Å; V667-Q671 WeakPolarHBondContact O-CG 3.39Å; V667-Q671 PolarHBondContact O-N 3.14Å; I668-Q671 PolarHBondContact O-N 2.99Å; I668-Q671 VanDerWaalsContact O-N 3.17Å; Q671-D673 PolarHBondContact O-N 3.46Å; Q671-L674 PolarHBondContact O-N 3.17Å; Q671-V675 WeakPolarHBondContact O-CB 3.18Å; Q671-V675 WeakPolarHBondContact O-CG2 3.41Å; Q671-V675 PolarHBondContact O-N 3.26Å
672L95.2Very high95.7Very high46 Ų4645 Ų4524%0.24122%0.218CC..Hα-helixtrans-63.1-21.6176.7-69.8-178.8000113.2L371 P372 M375 I668 P676L371-L672 HydrophobicContact CD1-CD2 4.43Å; L371-L672 HydrophobicContact CD2-CD2 3.97Å; L371-L672 HydrophobicContact CG-CD2 3.65Å; P372-L672 HydrophobicContact CB-CD1 4.41Å; P372-L672 HydrophobicContact CB-CD2 4.38Å; P372-L672 HydrophobicContact CG-CD1 4.44Å; P372-L672 HydrophobicContact CG-CD2 4.05Å; M375-L672 HydrophobicContact CB-CD2 4.09Å; M375-L672 HydrophobicContact CE-CD2 4.45Å; M375-L672 HydrophobicContact CG-CD2 4.36Å; I668-L672 HydrophobicContact CG2-CD1 3.86Å; I668-L672 HydrophobicContact CG2-CG 4.15Å; I668-L672 WeakPolarHBondContact O-CB 3.31Å; I668-L672 VanDerWaalsContact O-CG 3.27Å; I668-L672 WeakPolarHBondContact O-CG 3.46Å; I668-L672 PolarHBondContact O-N 2.84Å; L672-P676 VanDerWaalsContact O-CD 3.27Å; L672-P676 WeakPolarHBondContact O-CD 3.3Å; L672-P676 WeakPolarHBondContact O-CG 3.28Å
673D96.9Very high96Very high75 Ų7544.5 Ų44.540%0.40121%0.214SC..Hα-helixtrans-90.7-45.4174.2-178.760000112.4K669 T670 Q671 K677K669-D673 PolarHBondContact O-N 2.62Å; T670-D673 PolarHBondContact O-N 3.04Å; Q671-D673 PolarHBondContact O-N 3.46Å; D673-K677 WeakPolarHBondContact O-CD 3.36Å; D673-K677 VanDerWaalsContact O-CG 3.31Å; D673-K677 WeakPolarHBondContact O-CG 3.42Å; D673-K677 WeakPolarHBondContact OD1-CE 3.21Å; D673-K677 IonicContact OD1-NZ 3.01Å; D673-K677 PolarHBondContact OD1-NZ 3.34Å; D673-K677 IonicContact OD2-NZ 3.18Å; D673-K677 PolarHBondContact OD2-NZ 3.22Å
674L98.2Very high96.2Very high58 Ų5844.2 Ų44.230%0.30421%0.213SC..Hα-helixtrans-75.4-38.5-173.5-66.6-177.7000113.6L479 T670 Q671 K677 L678L479-L674 HydrophobicContact CD1-CB 3.9Å; L479-L674 HydrophobicContact CD2-CD1 3.97Å; T670-L674 HydrophobicContact CG2-CD1 3.71Å; T670-L674 HydrophobicContact CG2-CG 4.19Å; T670-L674 WeakPolarHBondContact O-CG 3.45Å; T670-L674 PolarHBondContact O-N 3.08Å; Q671-L674 PolarHBondContact O-N 3.17Å; L674-K677 PolarHBondContact O-N 3.17Å; L674-L678 VanDerWaalsContact O-CB 3.27Å; L674-L678 WeakPolarHBondContact O-CB 3.21Å; L674-L678 PolarHBondContact O-N 3.22Å
675V98.1Very high96.4Very high0 Ų047.1 Ų47.10%023%0.229CC..Hα-helixtrans-62.5-49.9-177.8171.20000111.7L371 C428 I476 L479 Q671 K677 L678 L679L371-V675 HydrophobicContact CD2-CB 4.16Å; L371-V675 HydrophobicContact CD2-CG1 4.11Å; C428-V675 HydrophobicContact CB-CG1 4.42Å; I476-V675 HydrophobicContact CD1-CG1 4.36Å; L479-V675 HydrophobicContact CD1-CG2 4.48Å; Q671-V675 WeakPolarHBondContact O-CB 3.18Å; Q671-V675 WeakPolarHBondContact O-CG2 3.41Å; Q671-V675 PolarHBondContact O-N 3.26Å; V675-K677 PolarHBondContact O-N 3.17Å; V675-L678 PolarHBondContact O-N 3.31Å; V675-L679 HydrophobicContact CG1-CD1 3.89Å; V675-L679 HydrophobicContact CG1-CG 4.49Å; V675-L679 WeakPolarHBondContact O-CG 3.46Å; V675-L679 PolarHBondContact O-N 2.89Å
676P98.3Very high96.7Very high14 Ų1444.1 Ų44.19%0.09122%0.217CC..Hα-helixtrans-57.9-43.7174.2-2938.7000113.6F367 L371 L672 L678 L679 M680F367-P676 HydrophobicContact CB-CB 4.01Å; F367-P676 HydrophobicContact CB-CG 3.96Å; F367-P676 HydrophobicContact CD1-CB 3.79Å; F367-P676 HydrophobicContact CD1-CG 3.95Å; F367-P676 HydrophobicContact CD2-CB 3.93Å; F367-P676 HydrophobicContact CE1-CB 4.17Å; F367-P676 HydrophobicContact CE2-CB 4.3Å; F367-P676 HydrophobicContact CG-CB 3.65Å; F367-P676 HydrophobicContact CG-CG 3.99Å; F367-P676 HydrophobicContact CZ-CB 4.42Å; L371-P676 HydrophobicContact CD2-CG 3.93Å; L672-P676 VanDerWaalsContact O-CD 3.27Å; L672-P676 WeakPolarHBondContact O-CD 3.3Å; L672-P676 WeakPolarHBondContact O-CG 3.28Å; P676-L678 PolarHBondContact O-N 3.33Å; P676-L679 PolarHBondContact O-N 2.86Å; P676-M680 WeakPolarHBondContact O-CB 3.33Å; P676-M680 WeakPolarHBondContact O-CG 3.2Å; P676-M680 PolarHBondContact O-N 3.31Å
677K98.5Very high96.9Very high117 Ų11743.5 Ų43.551%0.50921%0.214SC..Hα-helixtrans-61.8-43.6179.1-73.6173.6179.4171.30111.9D673 L674 V675 H681D673-K677 WeakPolarHBondContact O-CD 3.36Å; D673-K677 VanDerWaalsContact O-CG 3.31Å; D673-K677 WeakPolarHBondContact O-CG 3.42Å; D673-K677 WeakPolarHBondContact OD1-CE 3.21Å; D673-K677 IonicContact OD1-NZ 3.01Å; D673-K677 PolarHBondContact OD1-NZ 3.34Å; D673-K677 IonicContact OD2-NZ 3.18Å; D673-K677 PolarHBondContact OD2-NZ 3.22Å; L674-K677 PolarHBondContact O-N 3.17Å; V675-K677 PolarHBondContact O-N 3.17Å; K677-H681 WeakPolarHBondContact O-CB 3.23Å; K677-H681 PolarHBondContact O-N 2.87Å
678L98.5Very high96.9Very high25 Ų2544.5 Ų44.513%0.13122%0.218CC..Hα-helixtrans-61.7-49176.5-177.4160.5000111A472 Q475 I476 L479 L674 V675 P676 M680 H681 M682A472-L678 HydrophobicContact CB-CD2 4.17Å; Q475-L678 HydrophobicContact CB-CD1 3.68Å; Q475-L678 HydrophobicContact CB-CD2 4.39Å; Q475-L678 HydrophobicContact CB-CG 4.34Å; I476-L678 HydrophobicContact CD1-CD2 4.35Å; I476-L678 HydrophobicContact CG1-CD1 4.21Å; I476-L678 HydrophobicContact CG1-CD2 3.91Å; L479-L678 HydrophobicContact CD1-CD1 3.56Å; L479-L678 HydrophobicContact CG-CD1 4.11Å; L674-L678 VanDerWaalsContact O-CB 3.27Å; L674-L678 WeakPolarHBondContact O-CB 3.21Å; L674-L678 PolarHBondContact O-N 3.22Å; V675-L678 PolarHBondContact O-N 3.31Å; P676-L678 PolarHBondContact O-N 3.33Å; L678-M680 PolarHBondContact O-N 2.78Å; L678-H681 PolarHBondContact O-N 3.02Å; L678-M682 HydrophobicContact CD2-CG 4.31Å; L678-M682 HydrophobicContact CD2-SD 3.66Å; L678-M682 HydrophobicContact CG-CG 4.45Å; L678-M682 HydrophobicContact CG-SD 3.85Å; L678-M682 WeakPolarHBondContact O-CB 3.41Å; L678-M682 WeakPolarHBondContact O-CG 3.24Å; L678-M682 PolarHBondContact O-N 3.36Å
679L98.5Very high97Very high0 Ų046.5 Ų46.50%024%0.235CC..Hα-helixtrans-65.6-39.2179.9-69.8172.1000112.3F367 C428 A429 V432 A472 I476 V675 P676 H681 L683 V684F367-L679 HydrophobicContact CE1-CB 4.09Å; F367-L679 HydrophobicContact CE1-CD1 3.88Å; F367-L679 HydrophobicContact CZ-CB 4.02Å; C428-L679 HydrophobicContact CB-CD1 4.5Å; A429-L679 HydrophobicContact CB-CD1 4.28Å; A429-L679 HydrophobicContact CB-CD2 3.69Å; V432-L679 HydrophobicContact CG2-CD1 4.29Å; A472-L679 HydrophobicContact CB-CD2 4.2Å; I476-L679 HydrophobicContact CD1-CD1 4.46Å; I476-L679 HydrophobicContact CD1-CD2 3.91Å; I476-L679 HydrophobicContact CD1-CG 4.24Å; V675-L679 HydrophobicContact CG1-CD1 3.89Å; V675-L679 HydrophobicContact CG1-CG 4.49Å; V675-L679 WeakPolarHBondContact O-CG 3.46Å; V675-L679 PolarHBondContact O-N 2.89Å; P676-L679 PolarHBondContact O-N 2.86Å; L679-H681 VanDerWaalsContact C-N 3.34Å; L679-H681 PolarHBondContact O-N 3.37Å; L679-L683 HydrophobicContact CD2-CD1 3.6Å; L679-L683 HydrophobicContact CD2-CG 4.24Å; L679-L683 WeakPolarHBondContact O-CA 3.21Å; L679-L683 VanDerWaalsContact O-CB 3.27Å; L679-L683 WeakPolarHBondContact O-CB 3.47Å; L679-L683 PolarHBondContact O-N 2.94Å; L679-V684 PolarHBondContact O-N 2.92Å
680M97.8Very high97.2Very high62 Ų6240.1 Ų40.131%0.30521%0.208SC..Iπ-helixtrans-61.1-43173-78.3-57.9-61.200112.2I363 F367 P676 L678 V684 N685I363-M680 HydrophobicContact CG2-SD 4.43Å; F367-M680 HydrophobicContact CE2-CG 3.66Å; F367-M680 HydrophobicContact CE2-SD 3.74Å; F367-M680 HydrophobicContact CZ-CG 4.14Å; F367-M680 HydrophobicContact CZ-SD 4.3Å; P676-M680 WeakPolarHBondContact O-CB 3.33Å; P676-M680 WeakPolarHBondContact O-CG 3.2Å; P676-M680 PolarHBondContact O-N 3.31Å; L678-M680 PolarHBondContact O-N 2.78Å; M680-V684 HydrophobicContact CE-CB 3.94Å; M680-V684 HydrophobicContact CE-CG1 3.82Å; M680-V684 HydrophobicContact CE-CG2 4.34Å; M680-V684 PolarHBondContact O-N 3.33Å; M680-V684 HydrophobicContact SD-CB 3.91Å; M680-V684 HydrophobicContact SD-CG1 4.21Å; M680-V684 HydrophobicContact SD-CG2 3.65Å; M680-N685 WeakPolarHBondContact O-CB 3.46Å; M680-N685 VanDerWaalsContact O-CG 3.29Å; M680-N685 PolarHBondContact O-N 2.69Å; M680-N685 PolarHBondContact O-ND2 3.32Å
681H98.1Very high97.3Very high123 Ų12338 Ų3857%0.56920%0.195SC*.Iπ-helixtrans-69.5-54.1179.2-179.963.9000112.1K677 L678 L679 E686K677-H681 WeakPolarHBondContact O-CB 3.23Å; K677-H681 PolarHBondContact O-N 2.87Å; L678-H681 PolarHBondContact O-N 3.02Å; L679-H681 VanDerWaalsContact C-N 3.34Å; L679-H681 PolarHBondContact O-N 3.37Å; H681-E686 WeakPolarHBondContact O-CG 3.26Å
682M98Very high97.2Very high37 Ų3745.5 Ų45.518%0.18223%0.227CC..Iπ-helixtrans-82.3-23-168.9-64.3-171.469.200114.6R471 A472 Q475 L678R471-M682 HydrophobicContact CB-CE 3.82Å; A472-M682 HydrophobicContact CB-CB 4.17Å; A472-M682 HydrophobicContact CB-CE 4.47Å; A472-M682 HydrophobicContact CB-SD 4.41Å; Q475-M682 HydrophobicContact CB-CE 4.38Å; Q475-M682 HydrophobicContact CB-SD 3.84Å; Q475-M682 HydrophobicContact CG-CE 3.61Å; Q475-M682 HydrophobicContact CG-SD 3.58Å; Q475-M682 VanDerWaalsContact CG-SD 3.58Å; L678-M682 HydrophobicContact CD2-CG 4.31Å; L678-M682 HydrophobicContact CD2-SD 3.66Å; L678-M682 HydrophobicContact CG-CG 4.45Å; L678-M682 HydrophobicContact CG-SD 3.85Å; L678-M682 WeakPolarHBondContact O-CB 3.41Å; L678-M682 WeakPolarHBondContact O-CG 3.24Å; L678-M682 PolarHBondContact O-N 3.36Å
683L97.6Very high97Very high0 Ų045.4 Ų45.40%024%0.237CC..Iπ-helixtrans-108.3-71.9177.5-55.6-179.1000110.6V432 V433 L436 R468 A472 L679 N685 E686 I687V432-L683 HydrophobicContact CG1-CD1 4.1Å; V433-L683 HydrophobicContact CG2-CD1 3.84Å; L436-L683 HydrophobicContact CD1-CB 3.97Å; L436-L683 HydrophobicContact CD1-CD1 4.49Å; R468-L683 VanDerWaalsContact C-CD2 3.49Å; R468-L683 HydrophobicContact CB-CD2 3.72Å; A472-L683 HydrophobicContact CB-CD2 3.98Å; A472-L683 HydrophobicContact CB-CG 4.2Å; L679-L683 HydrophobicContact CD2-CD1 3.6Å; L679-L683 HydrophobicContact CD2-CG 4.24Å; L679-L683 WeakPolarHBondContact O-CA 3.21Å; L679-L683 VanDerWaalsContact O-CB 3.27Å; L679-L683 WeakPolarHBondContact O-CB 3.47Å; L679-L683 PolarHBondContact O-N 2.94Å; L683-N685 PolarHBondContact O-N 3.2Å; L683-E686 PolarHBondContact O-N 3.06Å; L683-I687 VanDerWaalsContact O-CD1 3.3Å; L683-I687 WeakPolarHBondContact O-CD1 3.25Å; L683-I687 WeakPolarHBondContact O-CG1 3.25Å; L683-I687 PolarHBondContact O-N 2.64Å
684V97.2Very high97Very high0 Ų046.8 Ų46.80%024%0.241CC..Iπ-helixtrans-61.9-48.6-165.7-176.10000111.9I345 I363 L436 L679 M680 K688I345-V684 HydrophobicContact CD1-CG1 4.35Å; I345-V684 HydrophobicContact CG2-CG1 3.68Å; I363-V684 HydrophobicContact CD1-CG2 4.35Å; L436-V684 HydrophobicContact CD1-CG2 4.4Å; L436-V684 HydrophobicContact CD2-CG2 4.32Å; L679-V684 PolarHBondContact O-N 2.92Å; M680-V684 HydrophobicContact CE-CB 3.94Å; M680-V684 HydrophobicContact CE-CG1 3.82Å; M680-V684 HydrophobicContact CE-CG2 4.34Å; M680-V684 PolarHBondContact O-N 3.33Å; M680-V684 HydrophobicContact SD-CB 3.91Å; M680-V684 HydrophobicContact SD-CG1 4.21Å; M680-V684 HydrophobicContact SD-CG2 3.65Å; V684-K688 WeakPolarHBondContact O-CG 3.35Å; V684-K688 PolarHBondContact O-N 3.29Å
685N96.7Very high96.9Very high76 Ų7644 Ų4441%0.40623%0.227SC..Iπ-helixtrans-73.8-37.1-178.7-69.6-23.5000112.9M680 L683 K688 S689M680-N685 WeakPolarHBondContact O-CB 3.46Å; M680-N685 VanDerWaalsContact O-CG 3.29Å; M680-N685 PolarHBondContact O-N 2.69Å; M680-N685 PolarHBondContact O-ND2 3.32Å; L683-N685 PolarHBondContact O-N 3.2Å; N685-K688 PolarHBondContact O-N 2.98Å; N685-S689 PolarHBondContact O-N 3.25Å
686E96.8Very high96.6Very high59 Ų5946.1 Ų46.128%0.27624%0.238SC..Hα-helixtrans-64.6-37.9175.5-77.9-75.2124.100112.1R468 H681 L683 S689 F690R468-E686 IonicContact CZ-OE2 3.04Å; R468-E686 VanDerWaalsContact CZ-OE2 3.25Å; R468-E686 IonicContact NE-OE2 3.5Å; R468-E686 IonicContact NH1-OE2 2.92Å; R468-E686 PolarHBondContact NH1-OE2 2.8Å; R468-E686 IonicContact NH2-OE2 3.44Å; H681-E686 WeakPolarHBondContact O-CG 3.26Å; L683-E686 PolarHBondContact O-N 3.06Å; E686-S689 PolarHBondContact O-N 3.05Å; E686-F690 WeakPolarHBondContact O-CB 3.34Å; E686-F690 PolarHBondContact O-N 2.95Å
687I97Very high96.4Very high0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-63.9-47.9174.1-66.1157.2000110F341 L436 I465 L683 S689 F690 L691F341-I687 HydrophobicContact CE1-CB 4.49Å; F341-I687 HydrophobicContact CE1-CG2 3.77Å; F341-I687 HydrophobicContact CE2-CG2 4.22Å; F341-I687 HydrophobicContact CZ-CB 4.36Å; F341-I687 HydrophobicContact CZ-CG2 3.53Å; L436-I687 HydrophobicContact CD1-CD1 3.67Å; L436-I687 HydrophobicContact CD2-CD1 4.11Å; L436-I687 HydrophobicContact CG-CD1 4.34Å; I465-I687 HydrophobicContact CD1-CD1 4.25Å; I465-I687 HydrophobicContact CG1-CD1 3.63Å; I465-I687 HydrophobicContact CG1-CG1 4.05Å; L683-I687 VanDerWaalsContact O-CD1 3.3Å; L683-I687 WeakPolarHBondContact O-CD1 3.25Å; L683-I687 WeakPolarHBondContact O-CG1 3.25Å; L683-I687 PolarHBondContact O-N 2.64Å; I687-S689 VanDerWaalsContact C-N 3.27Å; I687-S689 PolarHBondContact O-N 2.89Å; I687-F690 WeakPolarHBondContact O-CB 3.25Å; I687-F690 PolarHBondContact O-N 2.94Å; I687-F690 VanDerWaalsContact O-N 3.1Å; I687-L691 HydrophobicContact CG2-CD1 4.15Å; I687-L691 HydrophobicContact CG2-CG 4.13Å; I687-L691 VanDerWaalsContact O-CG 3.3Å; I687-L691 WeakPolarHBondContact O-CG 3.23Å; I687-L691 PolarHBondContact O-N 3.44Å
688K96.2Very high96.1Very high22 Ų2245 Ų4510%0.09624%0.239CC..Hα-helixtrans-54.4-43.9175.6-73.3178.2174.8-170.60112.2F341 D346 V684 N685 L691 K692F341-K688 HydrophobicContact CD1-CG 4.35Å; F341-K688 HydrophobicContact CE1-CG 4.05Å; D346-K688 IonicContact OD1-NZ 2.62Å; D346-K688 PolarHBondContact OD1-NZ 3.3Å; D346-K688 IonicContact OD2-NZ 2.63Å; D346-K688 PolarHBondContact OD2-NZ 2.89Å; V684-K688 WeakPolarHBondContact O-CG 3.35Å; V684-K688 PolarHBondContact O-N 3.29Å; N685-K688 PolarHBondContact O-N 2.98Å; K688-L691 PolarHBondContact O-N 3.42Å; K688-K692 PolarHBondContact O-N 3.5Å
689S96.5Very high95.9Very high78 Ų7843.8 Ų43.855%0.54523%0.233SC..Hα-helixtrans-62.5-45.4176.4-168.50000112.2N685 E686 I687 K692 G693N685-S689 PolarHBondContact O-N 3.25Å; E686-S689 PolarHBondContact O-N 3.05Å; I687-S689 VanDerWaalsContact C-N 3.27Å; I687-S689 PolarHBondContact O-N 2.89Å; S689-K692 PolarHBondContact O-N 3.46Å; S689-G693 PolarHBondContact O-N 3.49Å
690F97.6Very high95.4Very high5 Ų548.7 Ų48.72%0.02225%0.252CS..Hα-helixtrans-61-45.5177.2174.4-97.1000112.5I460 V461 W464 E686 I687 K692 G693 E694 L695I460-F690 HydrophobicContact CG2-CE1 3.99Å; I460-F690 HydrophobicContact CG2-CZ 3.61Å; V461-F690 HydrophobicContact CG2-CE1 4.3Å; W464-F690 HydrophobicContact CB-CD1 4.36Å; W464-F690 HydrophobicContact CB-CE1 4.2Å; W464-F690 HydrophobicContact CB-CZ 4.32Å; W464-F690 AromaticContact CD1-CG 3.83Å; W464-F690 HydrophobicContact CD2-CB 4.33Å; W464-F690 HydrophobicContact CD2-CD1 4.35Å; W464-F690 AromaticContact CD2-CD2 3.43Å; W464-F690 HydrophobicContact CD2-CD2 3.43Å; W464-F690 VanDerWaalsContact CD2-CD2 3.43Å; W464-F690 AromaticContact CD2-CE2 3.75Å; W464-F690 HydrophobicContact CD2-CE2 3.75Å; W464-F690 AromaticContact CD2-CG 3.78Å; W464-F690 HydrophobicContact CD2-CG 3.78Å; W464-F690 HydrophobicContact CD2-CZ 4.34Å; W464-F690 AromaticContact CE2-CD2 3.44Å; W464-F690 VanDerWaalsContact CE2-CD2 3.44Å; W464-F690 AromaticContact CE2-CG 3.63Å; W464-F690 AromaticContact CE3-CD2 3.63Å; W464-F690 HydrophobicContact CE3-CD2 3.63Å; W464-F690 AromaticContact CE3-CE2 3.58Å; W464-F690 HydrophobicContact CE3-CE2 3.58Å; W464-F690 HydrophobicContact CE3-CG 4.42Å; W464-F690 HydrophobicContact CE3-CZ 4.34Å; W464-F690 HydrophobicContact CG-CB 4.46Å; W464-F690 HydrophobicContact CG-CD1 4.02Å; W464-F690 AromaticContact CG-CD2 3.97Å; W464-F690 HydrophobicContact CG-CD2 3.97Å; W464-F690 HydrophobicContact CG-CE1 4.27Å; W464-F690 HydrophobicContact CG-CE2 4.23Å; W464-F690 AromaticContact CG-CG 3.88Å; W464-F690 HydrophobicContact CG-CG 3.88Å; W464-F690 HydrophobicContact CG-CZ 4.37Å; W464-F690 AromaticContact CH2-CD2 3.76Å; W464-F690 HydrophobicContact CH2-CD2 3.76Å; W464-F690 HydrophobicContact CH2-CE2 4.31Å; W464-F690 HydrophobicContact CZ2-CB 3.98Å; W464-F690 AromaticContact CZ2-CD2 3.61Å; W464-F690 HydrophobicContact CZ2-CD2 3.61Å; W464-F690 HydrophobicContact CZ2-CE2 4.49Å; W464-F690 HydrophobicContact CZ2-CG 4.1Å; W464-F690 AromaticContact CZ3-CD2 3.8Å; W464-F690 HydrophobicContact CZ3-CD2 3.8Å; W464-F690 AromaticContact CZ3-CE2 3.89Å; W464-F690 HydrophobicContact CZ3-CE2 3.89Å; W464-F690 AromaticContact NE1-CG 3.69Å; E686-F690 WeakPolarHBondContact O-CB 3.34Å; E686-F690 PolarHBondContact O-N 2.95Å; I687-F690 WeakPolarHBondContact O-CB 3.25Å; I687-F690 PolarHBondContact O-N 2.94Å; I687-F690 VanDerWaalsContact O-N 3.1Å; F690-K692 VanDerWaalsContact C-N 3.28Å; F690-K692 PolarHBondContact O-N 2.84Å; F690-G693 PolarHBondContact O-N 3.46Å; F690-E694 HydrophobicContact CD2-CB 3.43Å; F690-E694 VanDerWaalsContact CD2-CB 3.43Å; F690-E694 HydrophobicContact CD2-CG 4.22Å; F690-E694 HydrophobicContact CE2-CB 3.62Å; F690-E694 HydrophobicContact CG-CB 4.25Å; F690-E694 WeakPolarHBondContact O-CA 3.36Å; F690-E694 PolarHBondContact O-N 2.61Å; F690-L695 HydrophobicContact CE1-CB 4.19Å; F690-L695 HydrophobicContact CE1-CD1 4.27Å; F690-L695 PolarHBondContact O-N 3.48Å
691L96.8Very high94.9Very high2 Ų253.2 Ų53.21%0.0127%0.273CS..Hα-helixtrans-59.3-40.4179.2-67.5-174.2000112.3F337 E338 F341 V461 I687 K688 L695F337-L691 HydrophobicContact CD1-CD2 4.37Å; F337-L691 HydrophobicContact CE1-CD1 4.32Å; F337-L691 HydrophobicContact CE1-CD2 3.59Å; F337-L691 HydrophobicContact CZ-CD2 4.43Å; E338-L691 HydrophobicContact CG-CB 4.33Å; F341-L691 HydrophobicContact CB-CD1 3.67Å; F341-L691 HydrophobicContact CD1-CD1 3.39Å; F341-L691 HydrophobicContact CD2-CD1 4.03Å; F341-L691 HydrophobicContact CE1-CD1 4Å; F341-L691 HydrophobicContact CG-CD1 3.4Å; F341-L691 VanDerWaalsContact CG-CD1 3.4Å; V461-L691 HydrophobicContact CG1-CD2 4.22Å; V461-L691 HydrophobicContact CG2-CD2 3.62Å; I687-L691 HydrophobicContact CG2-CD1 4.15Å; I687-L691 HydrophobicContact CG2-CG 4.13Å; I687-L691 VanDerWaalsContact O-CG 3.3Å; I687-L691 WeakPolarHBondContact O-CG 3.23Å; I687-L691 PolarHBondContact O-N 3.44Å; K688-L691 PolarHBondContact O-N 3.42Å; L691-L695 HydrophobicContact CD2-CD2 3.78Å
692K93Very high94.2Very high156 Ų15649.5 Ų49.568%0.67826%0.263SS*.Hα-helixtrans-74.4-38.7-179.2-176.1174.8-179.7-179.90113.9E338 K688 S689 F690E338-K692 WeakPolarHBondContact OE1-CB 3.45Å; E338-K692 WeakPolarHBondContact OE1-CG 3.19Å; K688-K692 PolarHBondContact O-N 3.5Å; S689-K692 PolarHBondContact O-N 3.46Å; F690-K692 VanDerWaalsContact C-N 3.28Å; F690-K692 PolarHBondContact O-N 2.84Å
693G91.1Very high93.1Very high44 Ų4449.2 Ų49.245%0.45427%0.27SS..Hα-helixtrans-106-40.2-169.900000115.5S689 F690S689-G693 PolarHBondContact O-N 3.49Å; F690-G693 PolarHBondContact O-N 3.46Å
694E95.5Very high92.4Very high104 Ų10454 Ų5449%0.48630%0.296SS..THydrogen-bonded Turntrans-113.9-24.1-161.6-65.3-67.5165.200112.9F690 L696 P697 N698F690-E694 HydrophobicContact CD2-CB 3.43Å; F690-E694 VanDerWaalsContact CD2-CB 3.43Å; F690-E694 HydrophobicContact CD2-CG 4.22Å; F690-E694 HydrophobicContact CE2-CB 3.62Å; F690-E694 HydrophobicContact CG-CB 4.25Å; F690-E694 WeakPolarHBondContact O-CA 3.36Å; F690-E694 PolarHBondContact O-N 2.61Å; E694-L696 PolarHBondContact O-N 3.37Å; E694-P697 WeakPolarHBondContact O-CD 3.43Å; E694-N698 PolarHBondContact O-N 3.2Å; E694-N698 PolarHBondContact O-ND2 3.45Å
695L96.4Very high91.6Very high0 Ų055.2 Ų55.20%030%0.302CS..Hα-helixtrans-59.1-48.8-178.9174.760.6000112.3V334 F337 T457 I460 V461 F690 L691 N698 L699V334-L695 HydrophobicContact CG1-CD2 3.99Å; V334-L695 HydrophobicContact CG1-CG 4.31Å; F337-L695 HydrophobicContact CD1-CD2 3.71Å; F337-L695 HydrophobicContact CE1-CD2 3.78Å; T457-L695 HydrophobicContact CG2-CD1 4.32Å; T457-L695 HydrophobicContact CG2-CD2 4.08Å; I460-L695 HydrophobicContact CB-CD1 4.45Å; I460-L695 HydrophobicContact CG2-CD1 3.97Å; V461-L695 HydrophobicContact CG2-CD1 3.99Å; V461-L695 HydrophobicContact CG2-CD2 4.4Å; F690-L695 HydrophobicContact CE1-CB 4.19Å; F690-L695 HydrophobicContact CE1-CD1 4.27Å; F690-L695 PolarHBondContact O-N 3.48Å; L691-L695 HydrophobicContact CD2-CD2 3.78Å; L695-N698 PolarHBondContact O-N 3.18Å; L695-L699 HydrophobicContact CD1-CD1 4.07Å; L695-L699 HydrophobicContact CD1-CG 4.13Å; L695-L699 HydrophobicContact CG-CD1 3.99Å; L695-L699 HydrophobicContact CG-CG 4.49Å; L695-L699 WeakPolarHBondContact O-CG 3.38Å; L695-L699 PolarHBondContact O-N 3.35Å
696L93Very high90.8Very high45 Ų4555 Ų5524%0.23630%0.301CS..Hα-helixtrans-62.6-47.5-178.1-178.766.5000112.3L330 V334 E694 N698 L699 Y700L330-L696 HydrophobicContact CD2-CD1 3.97Å; L330-L696 HydrophobicContact CG-CD1 3.92Å; V334-L696 HydrophobicContact CG1-CB 4.37Å; V334-L696 HydrophobicContact CG2-CD1 4.23Å; E694-L696 PolarHBondContact O-N 3.37Å; L696-N698 VanDerWaalsContact C-N 3.33Å; L696-N698 PolarHBondContact O-N 2.83Å; L696-L699 PolarHBondContact O-N 3.49Å; L696-Y700 HydrophobicContact CD1-CD2 4.19Å; L696-Y700 HydrophobicContact CD1-CE2 3.73Å; L696-Y700 HydrophobicContact CD2-CE2 4.39Å; L696-Y700 HydrophobicContact CG-CD2 4.14Å; L696-Y700 HydrophobicContact CG-CE2 3.84Å; L696-Y700 VanDerWaalsContact O-CD2 3.27Å; L696-Y700 WeakPolarHBondContact O-CD2 3.4Å; L696-Y700 PolarHBondContact O-N 2.82Å; L696-Y700 VanDerWaalsContact O-N 3.14Å
697P92.8Very high90.2Very high55 Ų5554.2 Ų54.236%0.35730%0.302SS..Hα-helixtrans-54.2-43170-28.433.6000114.3E694 L699 Y700 Q701E694-P697 WeakPolarHBondContact O-CD 3.43Å; P697-L699 VanDerWaalsContact C-N 3.34Å; P697-L699 PolarHBondContact O-N 2.85Å; P697-Y700 PolarHBondContact O-N 3.45Å; P697-Q701 WeakPolarHBondContact O-CG 3.39Å; P697-Q701 PolarHBondContact O-N 3.47Å; P697-Q701 VanDerWaalsContact O-N 3.16Å
698N93.9Very high89.7Confident51 Ų5154.8 Ų54.827%0.27331%0.305SS..Hα-helixtrans-64.3-38.8178.3-81-73.8000111.9I460 E694 L695 L696 Y700 Q701 A702I460-N698 HydrophobicContact CD1-CB 4.18Å; I460-N698 HydrophobicContact CG2-CB 4.03Å; E694-N698 PolarHBondContact O-N 3.2Å; E694-N698 PolarHBondContact O-ND2 3.45Å; L695-N698 PolarHBondContact O-N 3.18Å; L696-N698 VanDerWaalsContact C-N 3.33Å; L696-N698 PolarHBondContact O-N 2.83Å; N698-Y700 VanDerWaalsContact C-N 3.34Å; N698-Y700 PolarHBondContact O-N 3.34Å; N698-Q701 PolarHBondContact O-N 3.5Å; N698-Q701 VanDerWaalsContact O-N 3.13Å; N698-A702 WeakPolarHBondContact O-CB 3.37Å; N698-A702 PolarHBondContact O-N 2.86Å
699L92.8Very high89.2Confident0 Ų053.9 Ų53.90%030%0.301CS..Hα-helixtrans-62.9-38.3174.7-73.4168000112.3L330 V334 L453 E456 I460 L695 L696 P697 Q701 A702 L708L330-L699 HydrophobicContact CD1-CD1 4.49Å; V334-L699 HydrophobicContact CG2-CD1 3.53Å; L453-L699 HydrophobicContact CD1-CD1 4.03Å; L453-L699 HydrophobicContact CD1-CD2 3.94Å; E456-L699 HydrophobicContact CB-CD2 4.25Å; E456-L699 HydrophobicContact CG-CD2 4.03Å; I460-L699 HydrophobicContact CD1-CD2 3.77Å; I460-L699 HydrophobicContact CD1-CG 4.18Å; L695-L699 HydrophobicContact CD1-CD1 4.07Å; L695-L699 HydrophobicContact CD1-CG 4.13Å; L695-L699 HydrophobicContact CG-CD1 3.99Å; L695-L699 HydrophobicContact CG-CG 4.49Å; L695-L699 WeakPolarHBondContact O-CG 3.38Å; L695-L699 PolarHBondContact O-N 3.35Å; L696-L699 PolarHBondContact O-N 3.49Å; P697-L699 VanDerWaalsContact C-N 3.34Å; P697-L699 PolarHBondContact O-N 2.85Å; L699-Q701 VanDerWaalsContact C-N 3.28Å; L699-Q701 PolarHBondContact O-N 3.02Å; L699-A702 PolarHBondContact O-N 3.34Å; L699-L708 WeakPolarHBondContact O-CD1 3.25Å
700Y88.1Confident88.6Confident103 Ų10351.9 Ų51.940%0.40429%0.287SS..Hα-helixtrans-67-27.8173.8-82.8-70.7000113.6L330 L696 P697 N698 L705L330-Y700 HydrophobicContact CD2-CE1 4.09Å; L330-Y700 HydrophobicContact CD2-CE2 4.05Å; L696-Y700 HydrophobicContact CD1-CD2 4.19Å; L696-Y700 HydrophobicContact CD1-CE2 3.73Å; L696-Y700 HydrophobicContact CD2-CE2 4.39Å; L696-Y700 HydrophobicContact CG-CD2 4.14Å; L696-Y700 HydrophobicContact CG-CE2 3.84Å; L696-Y700 VanDerWaalsContact O-CD2 3.27Å; L696-Y700 WeakPolarHBondContact O-CD2 3.4Å; L696-Y700 PolarHBondContact O-N 2.82Å; L696-Y700 VanDerWaalsContact O-N 3.14Å; P697-Y700 PolarHBondContact O-N 3.45Å; N698-Y700 VanDerWaalsContact C-N 3.34Å; N698-Y700 PolarHBondContact O-N 3.34Å; Y700-L705 HydrophobicContact CE1-CD1 4.26Å
701Q88.8Confident87.8Confident157 Ų15753.2 Ų53.273%0.73429%0.294SS*.Hα-helixtrans-83.8-30.2177.8-69.517918.400112.7P697 N698 L699 G703P697-Q701 WeakPolarHBondContact O-CG 3.39Å; P697-Q701 PolarHBondContact O-N 3.47Å; P697-Q701 VanDerWaalsContact O-N 3.16Å; N698-Q701 PolarHBondContact O-N 3.5Å; N698-Q701 VanDerWaalsContact O-N 3.13Å; L699-Q701 VanDerWaalsContact C-N 3.28Å; L699-Q701 PolarHBondContact O-N 3.02Å; Q701-G703 VanDerWaalsContact C-N 3.31Å; Q701-G703 PolarHBondContact O-N 3.02Å
702A82.5Confident87.2Confident45 Ų4554.4 Ų54.437%0.37230%0.302SS..Hα-helixtrans-66.8-27.2-175.800000114.3E456 I460 N698 L699E456-A702 HydrophobicContact CG-CB 3.71Å; E456-A702 WeakPolarHBondContact OE1-CB 3.42Å; I460-A702 HydrophobicContact CD1-CB 4.15Å; N698-A702 WeakPolarHBondContact O-CB 3.37Å; N698-A702 PolarHBondContact O-N 2.86Å; L699-A702 PolarHBondContact O-N 3.34Å
703G74.6Confident86.6Confident32 Ų3252.5 Ų52.533%0.3330%0.299SS..SBendtrans-175.6176.3179.500000114.5Q701 L705Q701-G703 VanDerWaalsContact C-N 3.31Å; Q701-G703 PolarHBondContact O-N 3.02Å; G703-L705 PolarHBondContact O-N 2.89Å
704D82.3Confident86.1Confident99 Ų9952.6 Ų52.653%0.52930%0.3SS..  trans-65.9132.9173.8179.523000110.6N706 S707 L708D704-N706 PolarHBondContact O-N 2.68Å; D704-N706 VanDerWaalsContact O-N 3.1Å; D704-N706 PolarHBondContact OD1-N 2.88Å; D704-N706 WeakPolarHBondContact OD2-CB 2.91Å; D704-N706 PolarHBondContact OD2-ND2 3.39Å; D704-S707 WeakPolarHBondContact O-CB 3.21Å; D704-S707 PolarHBondContact O-N 3.01Å; D704-L708 PolarHBondContact O-N 3.15Å; D704-L708 VanDerWaalsContact O-N 3.09Å
705L81.6Confident85.3Confident26 Ų2649.4 Ų49.414%0.13629%0.287CS..Hα-helixtrans-50.8-36.5177.3179.366.8000111.7K326 L330 Y700 G703 S707 M709K326-L705 HydrophobicContact CB-CD1 4.5Å; K326-L705 HydrophobicContact CB-CD2 4.16Å; K326-L705 HydrophobicContact CB-CG 4.18Å; L330-L705 HydrophobicContact CB-CD1 4.38Å; L330-L705 HydrophobicContact CD2-CD1 3.59Å; Y700-L705 HydrophobicContact CE1-CD1 4.26Å; G703-L705 PolarHBondContact O-N 2.89Å; L705-S707 VanDerWaalsContact C-N 3.34Å; L705-S707 PolarHBondContact O-N 3.36Å; L705-M709 HydrophobicContact CD1-CG 3.86Å; L705-M709 HydrophobicContact CG-CG 4.48Å; L705-M709 WeakPolarHBondContact O-CB 3.49Å; L705-M709 WeakPolarHBondContact O-CG 3.32Å; L705-M709 PolarHBondContact O-N 3.34Å
706N80.4Confident84.5Confident71 Ų7153 Ų5338%0.3830%0.304SS..Hα-helixtrans-67.4-35.7179.4-64.9-56.9000113.3K326 D704K326-N706 PolarHBondContact NZ-OD1 3.46Å; D704-N706 PolarHBondContact O-N 2.68Å; D704-N706 VanDerWaalsContact O-N 3.1Å; D704-N706 PolarHBondContact OD1-N 2.88Å; D704-N706 WeakPolarHBondContact OD2-CB 2.91Å; D704-N706 PolarHBondContact OD2-ND2 3.39Å
707S83.9Confident83.9Confident44 Ų4456.1 Ų56.131%0.30832%0.317SS..Hα-helixtrans-72-46.2178.2179.50000110.5R452 D704 L705 M709 S710R452-S707 WeakPolarHBondContact CD-O 3.34Å; R452-S707 PolarHBondContact NH1-OG 3.28Å; D704-S707 WeakPolarHBondContact O-CB 3.21Å; D704-S707 PolarHBondContact O-N 3.01Å; L705-S707 VanDerWaalsContact C-N 3.34Å; L705-S707 PolarHBondContact O-N 3.36Å; S707-M709 VanDerWaalsContact C-N 3.34Å; S707-M709 PolarHBondContact O-N 2.91Å; S707-S710 WeakPolarHBondContact O-CB 3.18Å; S707-S710 PolarHBondContact O-N 2.69Å; S707-S710 PolarHBondContact O-OG 3.09Å
708L85.9Confident83.3Confident12 Ų1259.7 Ų59.76%0.06333%0.327CS..Hα-helixtrans-63.2-41.5-179.7-70.1170000112.1L453 E456 L699 D704 S710L453-L708 WeakPolarHBondContact CB-O 3.43Å; L453-L708 PolarHBondContact N-O 3.46Å; E456-L708 HydrophobicContact CB-CD2 3.81Å; E456-L708 HydrophobicContact CG-CD2 3.94Å; L699-L708 WeakPolarHBondContact O-CD1 3.25Å; D704-L708 PolarHBondContact O-N 3.15Å; D704-L708 VanDerWaalsContact O-N 3.09Å; L708-S710 PolarHBondContact O-N 2.81Å
709M85.6Confident82.7Confident3 Ų358.9 Ų58.92%0.01532%0.32CS..THydrogen-bonded Turntrans-89.427.4-178.5-60.2-58.1-63.300113.3K326 A329 L330 F450 L453 L705 S707 E711K326-M709 HydrophobicContact CB-CB 4.17Å; K326-M709 HydrophobicContact CB-CG 4.12Å; K326-M709 HydrophobicContact CD-CB 3.94Å; K326-M709 HydrophobicContact CG-CB 3.93Å; K326-M709 HydrophobicContact CG-CG 4.43Å; A329-M709 HydrophobicContact CB-CE 3.53Å; L330-M709 HydrophobicContact CB-CE 4.29Å; L330-M709 HydrophobicContact CB-CG 4.4Å; L330-M709 HydrophobicContact CB-SD 3.74Å; L330-M709 HydrophobicContact CD1-SD 4Å; L330-M709 HydrophobicContact CG-SD 4.44Å; F450-M709 HydrophobicContact CD1-CE 3.91Å; F450-M709 HydrophobicContact CD2-CE 3.95Å; F450-M709 HydrophobicContact CE1-CE 3.67Å; F450-M709 HydrophobicContact CE2-CE 3.71Å; F450-M709 HydrophobicContact CG-CE 4.05Å; F450-M709 HydrophobicContact CG-SD 4.46Å; F450-M709 HydrophobicContact CZ-CE 3.57Å; L453-M709 HydrophobicContact CD2-SD 3.82Å; L705-M709 HydrophobicContact CD1-CG 3.86Å; L705-M709 HydrophobicContact CG-CG 4.48Å; L705-M709 WeakPolarHBondContact O-CB 3.49Å; L705-M709 WeakPolarHBondContact O-CG 3.32Å; L705-M709 PolarHBondContact O-N 3.34Å; S707-M709 VanDerWaalsContact C-N 3.34Å; S707-M709 PolarHBondContact O-N 2.91Å; M709-E711 PolarHBondContact O-N 3.2Å
710S83.4Confident82.1Confident35 Ų3562.2 Ų62.225%0.24534%0.338CS..PPolyproline II helixtrans-70.1124.517164.10000110S707 L708S707-S710 WeakPolarHBondContact O-CB 3.18Å; S707-S710 PolarHBondContact O-N 2.69Å; S707-S710 PolarHBondContact O-OG 3.09Å; L708-S710 PolarHBondContact O-N 2.81Å
711E82Confident81.8Confident34 Ų3462.6 Ų62.616%0.15934%0.344CS..PPolyproline II helixtrans-63.1151174.962.8-178.9176.900111.7N449 M709 Q716 R719N449-E711 WeakPolarHBondContact O-CA 3.44Å; M709-E711 PolarHBondContact O-N 3.2Å; E711-Q716 HydrophobicContact CG-CB 4.1Å; E711-Q716 WeakPolarHBondContact OE1-CB 3.28Å; E711-Q716 WeakPolarHBondContact OE1-CG 3.43Å; E711-Q716 PolarHBondContact OE1-NE2 3.43Å; E711-R719 IonicContact OE1-CZ 2.83Å; E711-R719 IonicContact OE1-NE 2.76Å; E711-R719 IonicContact OE1-NH2 3.4Å; E711-R719 PolarHBondContact OE1-NH2 3.27Å; E711-R719 IonicContact OE2-NE 2.6Å; E711-R719 IonicContact OE2-NH2 2.96Å
712S84.3Confident81.5Confident27 Ų2756 Ų5619%0.18931%0.313CS..PPolyproline II helixtrans-69.4152.5171.376.90000111.3N449 G714 V715 Q716N449-S712 PolarHBondContact O-N 3Å; S712-G714 PolarHBondContact O-N 2.81Å; S712-V715 PolarHBondContact O-N 3.49Å; S712-V715 VanDerWaalsContact OG-CG2 3.3Å; S712-V715 WeakPolarHBondContact OG-CG2 3.31Å; S712-V715 PolarHBondContact OG-N 2.6Å; S712-Q716 PolarHBondContact O-N 3.39Å
713L80.2Confident81.5Confident115 Ų11555.4 Ų55.460%0.60231%0.305SS*.Hα-helixtrans-58.4-36.5179.1-17369.3000112Q716 Q717L713-Q716 PolarHBondContact O-N 2.85Å; L713-Q717 HydrophobicContact CG-CG 4.5Å; L713-Q717 WeakPolarHBondContact O-CB 3.44Å; L713-Q717 VanDerWaalsContact O-CG 3.26Å; L713-Q717 WeakPolarHBondContact O-CG 3.5Å; L713-Q717 PolarHBondContact O-N 2.88Å
714G79.9Confident81.9Confident46 Ų4660.2 Ų60.247%0.47431%0.313SS..Hα-helixtrans-66.6-40.717800000112.9S712 K718S712-G714 PolarHBondContact O-N 2.81Å; G714-K718 WeakPolarHBondContact O-CB 3.43Å; G714-K718 PolarHBondContact O-N 3.47Å
715V80Confident81.9Confident37 Ų3756.5 Ų56.522%0.22429%0.294CS..Hα-helixtrans-67.2-41.9175.8172.80000110.8N449 S712 K718 R719N449-V715 HydrophobicContact CB-CG2 4.49Å; N449-V715 WeakPolarHBondContact OD1-CG2 3.31Å; S712-V715 PolarHBondContact O-N 3.49Å; S712-V715 VanDerWaalsContact OG-CG2 3.3Å; S712-V715 WeakPolarHBondContact OG-CG2 3.31Å; S712-V715 PolarHBondContact OG-N 2.6Å; V715-K718 PolarHBondContact O-N 3.42Å; V715-R719 WeakPolarHBondContact O-CB 3.25Å; V715-R719 PolarHBondContact O-N 2.84Å
716Q77.7Confident82.1Confident75 Ų7555.9 Ų55.935%0.3529%0.29SS..Hα-helixtrans-59.5-49.4175.5179.5164.284.600111.9E711 S712 L713 R719 D720E711-Q716 HydrophobicContact CG-CB 4.1Å; E711-Q716 WeakPolarHBondContact OE1-CB 3.28Å; E711-Q716 WeakPolarHBondContact OE1-CG 3.43Å; E711-Q716 PolarHBondContact OE1-NE2 3.43Å; S712-Q716 PolarHBondContact O-N 3.39Å; L713-Q716 PolarHBondContact O-N 2.85Å; Q716-R719 WeakPolarHBondContact O-CB 3.15Å; Q716-R719 PolarHBondContact O-N 3.15Å; Q716-D720 PolarHBondContact O-N 2.77Å
717Q81.1Confident82.3Confident112 Ų11255.7 Ų55.752%0.52329%0.289SS..Hα-helixtrans-61.6-45.5178.5-75.3174.3-10.800111.8L713 R719 D720 E721L713-Q717 HydrophobicContact CG-CG 4.5Å; L713-Q717 WeakPolarHBondContact O-CB 3.44Å; L713-Q717 VanDerWaalsContact O-CG 3.26Å; L713-Q717 WeakPolarHBondContact O-CG 3.5Å; L713-Q717 PolarHBondContact O-N 2.88Å; Q717-R719 VanDerWaalsContact C-N 3.3Å; Q717-R719 PolarHBondContact O-N 3.36Å; Q717-D720 PolarHBondContact O-N 3.46Å; Q717-E721 VanDerWaalsContact O-CB 3.3Å; Q717-E721 WeakPolarHBondContact O-CB 3.46Å; Q717-E721 PolarHBondContact O-N 2.71Å
718K80.2Confident82.2Confident129 Ų12953.6 Ų53.656%0.56127%0.274SS*.Hα-helixtrans-59.4-42.2177.5-175.4180178.2-175.50111.6G714 V715 M722G714-K718 WeakPolarHBondContact O-CB 3.43Å; G714-K718 PolarHBondContact O-N 3.47Å; V715-K718 PolarHBondContact O-N 3.42Å; K718-M722 WeakPolarHBondContact O-CB 3.34Å; K718-M722 PolarHBondContact O-N 3.03Å
719R81.6Confident82.1Confident34 Ų3453.3 Ų53.313%0.12827%0.272CS..Hα-helixtrans-61.9-49.9175.9177.917460.256.87.6111.6Y315 E711 V715 Q716 Q717 M722 V723Y315-R719 HydrophobicContact CD1-CB 4.22Å; Y315-R719 VanDerWaalsContact CD1-CD 3.4Å; Y315-R719 HydrophobicContact CD1-CG 3.55Å; Y315-R719 HydrophobicContact CD2-CB 4.41Å; Y315-R719 HydrophobicContact CD2-CG 3.9Å; Y315-R719 HydrophobicContact CE1-CB 4.22Å; Y315-R719 HydrophobicContact CE1-CG 4.06Å; Y315-R719 HydrophobicContact CE2-CB 4.41Å; Y315-R719 HydrophobicContact CE2-CG 4.37Å; Y315-R719 HydrophobicContact CG-CB 4.33Å; Y315-R719 HydrophobicContact CG-CG 3.47Å; Y315-R719 VanDerWaalsContact CG-CG 3.47Å; E711-R719 IonicContact OE1-CZ 2.83Å; E711-R719 IonicContact OE1-NE 2.76Å; E711-R719 IonicContact OE1-NH2 3.4Å; E711-R719 PolarHBondContact OE1-NH2 3.27Å; E711-R719 IonicContact OE2-NE 2.6Å; E711-R719 IonicContact OE2-NH2 2.96Å; V715-R719 WeakPolarHBondContact O-CB 3.25Å; V715-R719 PolarHBondContact O-N 2.84Å; Q716-R719 WeakPolarHBondContact O-CB 3.15Å; Q716-R719 PolarHBondContact O-N 3.15Å; Q717-R719 VanDerWaalsContact C-N 3.3Å; Q717-R719 PolarHBondContact O-N 3.36Å; R719-M722 PolarHBondContact O-N 3.34Å; R719-V723 WeakPolarHBondContact O-CG2 3.26Å; R719-V723 PolarHBondContact O-N 3.1Å
720D80.4Confident82.1Confident70 Ų7057.9 Ų57.937%0.37429%0.292SS..Hα-helixtrans-65.9-39.1-178.1-68.7-17.7000112Q716 Q717 R724Q716-D720 PolarHBondContact O-N 2.77Å; Q717-D720 PolarHBondContact O-N 3.46Å; D720-R724 WeakPolarHBondContact O-CB 3.3Å; D720-R724 PolarHBondContact O-N 3.49Å; D720-R724 VanDerWaalsContact O-N 3.09Å
721E81.9Confident82.2Confident112 Ų11260.3 Ų60.352%0.52330%0.3SS..Hα-helixtrans-63.9-46174.1-177174.8-160.100111.3Q717 V723 R724 V725Q717-E721 VanDerWaalsContact O-CB 3.3Å; Q717-E721 WeakPolarHBondContact O-CB 3.46Å; Q717-E721 PolarHBondContact O-N 2.71Å; E721-V723 PolarHBondContact O-N 3.25Å; E721-R724 WeakPolarHBondContact O-CB 3.38Å; E721-R724 PolarHBondContact O-N 2.78Å; E721-V725 HydrophobicContact CG-CG2 4.35Å; E721-V725 VanDerWaalsContact O-CG2 3.27Å; E721-V725 WeakPolarHBondContact O-CG2 3.27Å; E721-V725 PolarHBondContact O-N 3.4Å
722M81.8Confident82.2Confident18 Ų1858.7 Ų58.79%0.08929%0.292CS..Hα-helixtrans-61.5-43.3179.7176.1153-177.600112.8M308 E311 V312 Y315 K718 R719 Y726M308-M722 HydrophobicContact CB-CE 3.85Å; M308-M722 HydrophobicContact CE-CB 4.39Å; M308-M722 HydrophobicContact CE-CE 4.15Å; M308-M722 HydrophobicContact CE-CG 3.65Å; M308-M722 HydrophobicContact CE-SD 4.41Å; M308-M722 HydrophobicContact CG-CE 4.13Å; M308-M722 WeakPolarHBondContact O-CE 3.44Å; E311-M722 HydrophobicContact CB-CE 3.18Å; E311-M722 HydrophobicContact CB-SD 4.18Å; E311-M722 HydrophobicContact CG-CE 4.18Å; E311-M722 VanDerWaalsContact OE2-CE 3.29Å; E311-M722 WeakPolarHBondContact OE2-CE 3.5Å; V312-M722 HydrophobicContact CG2-CE 3.77Å; V312-M722 HydrophobicContact CG2-CG 3.76Å; Y315-M722 HydrophobicContact CD2-CG 4.42Å; Y315-M722 HydrophobicContact CD2-SD 4.22Å; Y315-M722 HydrophobicContact CE2-CG 4.38Å; Y315-M722 HydrophobicContact CE2-SD 3.72Å; K718-M722 WeakPolarHBondContact O-CB 3.34Å; K718-M722 PolarHBondContact O-N 3.03Å; R719-M722 PolarHBondContact O-N 3.34Å; M722-Y726 WeakPolarHBondContact O-CB 3.49Å; M722-Y726 PolarHBondContact O-N 3.07Å
723V83Confident82.3Confident32 Ų3258.2 Ų58.219%0.19429%0.288CS..Hα-helixtrans-62.9-43.8174.61740000110.6V312 R719 E721 Y726 D727V312-V723 HydrophobicContact CG1-CG2 4.4Å; R719-V723 WeakPolarHBondContact O-CG2 3.26Å; R719-V723 PolarHBondContact O-N 3.1Å; E721-V723 PolarHBondContact O-N 3.25Å; V723-Y726 PolarHBondContact O-N 2.74Å; V723-D727 PolarHBondContact O-N 3.47Å
724R82.1Confident82.6Confident134 Ų13457.2 Ų57.251%0.50628%0.283SS..Hα-helixtrans-62-44.8179-170.6-172.9-59.7174.80.4112.5L24 V26 D720 E721 D727 A728L24-R724 VanDerWaalsContact O-CD 3.28Å; L24-R724 WeakPolarHBondContact O-CD 3.47Å; V26-R724 HydrophobicContact CG2-CG 4.05Å; D720-R724 WeakPolarHBondContact O-CB 3.3Å; D720-R724 PolarHBondContact O-N 3.49Å; D720-R724 VanDerWaalsContact O-N 3.09Å; E721-R724 WeakPolarHBondContact O-CB 3.38Å; E721-R724 PolarHBondContact O-N 2.78Å; R724-D727 PolarHBondContact O-N 2.88Å; R724-A728 WeakPolarHBondContact O-CB 3.45Å; R724-A728 PolarHBondContact O-N 3.46Å
725V83.1Confident82.6Confident21 Ų2155.9 Ų55.913%0.12726%0.264CS..Hα-helixtrans-62.8-43176.8171.40000110.9V26 L28 M308 E721 A728 M729V26-V725 HydrophobicContact CG1-CG2 3.75Å; V26-V725 HydrophobicContact CG2-CG2 4.34Å; L28-V725 HydrophobicContact CD1-CG1 3.87Å; M308-V725 HydrophobicContact CE-CB 4.05Å; M308-V725 HydrophobicContact CE-CG1 3.84Å; M308-V725 HydrophobicContact SD-CG1 4.08Å; E721-V725 HydrophobicContact CG-CG2 4.35Å; E721-V725 VanDerWaalsContact O-CG2 3.27Å; E721-V725 WeakPolarHBondContact O-CG2 3.27Å; E721-V725 PolarHBondContact O-N 3.4Å; V725-A728 WeakPolarHBondContact O-CB 3.31Å; V725-A728 PolarHBondContact O-N 3.39Å; V725-M729 HydrophobicContact CG1-CE 3.66Å; V725-M729 HydrophobicContact CG1-SD 4.28Å; V725-M729 WeakPolarHBondContact O-CG 3.48Å; V725-M729 PolarHBondContact O-N 2.93Å
726Y86.1Confident82.7Confident12 Ų1254.3 Ų54.35%0.04726%0.255CS..Hα-helixtrans-62.2-46.5177.8174.3-86.5000112.3M305 M308 E309 V312 M722 V723 A728 M729 K730M305-Y726 HydrophobicContact CG-CD2 3.85Å; M305-Y726 HydrophobicContact CG-CE2 3.57Å; M308-Y726 HydrophobicContact CB-CD2 4.38Å; E309-Y726 HydrophobicContact CB-CE2 4.03Å; E309-Y726 HydrophobicContact CG-CE2 4.21Å; E309-Y726 PolarHBondContact OE1-OH 3Å; V312-Y726 HydrophobicContact CB-CD2 4.3Å; V312-Y726 HydrophobicContact CB-CG 4.26Å; V312-Y726 HydrophobicContact CG1-CD1 3.89Å; V312-Y726 HydrophobicContact CG1-CD2 4.36Å; V312-Y726 HydrophobicContact CG1-CE1 4.31Å; V312-Y726 HydrophobicContact CG1-CG 3.92Å; V312-Y726 HydrophobicContact CG2-CD2 4.03Å; V312-Y726 HydrophobicContact CG2-CG 3.9Å; M722-Y726 WeakPolarHBondContact O-CB 3.49Å; M722-Y726 PolarHBondContact O-N 3.07Å; V723-Y726 PolarHBondContact O-N 2.74Å; Y726-A728 VanDerWaalsContact C-N 3.28Å; Y726-A728 PolarHBondContact O-N 3.48Å; Y726-M729 PolarHBondContact O-N 3.26Å; Y726-K730 HydrophobicContact CE1-CD 4.46Å; Y726-K730 PolarHBondContact O-N 3.47Å
727D83.5Confident82.8Confident68 Ų6854 Ų5436%0.36426%0.261SS..Hα-helixtrans-65-34.6178.6-68.8-25.7000111.1K316 V723 R724 K730 E731K316-D727 IonicContact NZ-OD1 2.91Å; K316-D727 PolarHBondContact NZ-OD1 2.88Å; V723-D727 PolarHBondContact O-N 3.47Å; R724-D727 PolarHBondContact O-N 2.88Å; D727-K730 PolarHBondContact O-N 3.22Å; D727-E731 PolarHBondContact O-N 3.31Å
728A82.3Confident82.3Confident0 Ų054.6 Ų54.60%026%0.264CS..Hα-helixtrans-61.7-46.8172.100000113.5F21 L24 V26 R724 V725 Y726 K730 E731 A732F21-A728 HydrophobicContact CD1-CB 4.27Å; F21-A728 HydrophobicContact CE1-CB 4.14Å; L24-A728 HydrophobicContact CB-CB 4.3Å; L24-A728 HydrophobicContact CD1-CB 3.21Å; L24-A728 HydrophobicContact CG-CB 4.35Å; V26-A728 HydrophobicContact CG2-CB 4.14Å; R724-A728 WeakPolarHBondContact O-CB 3.45Å; R724-A728 PolarHBondContact O-N 3.46Å; V725-A728 WeakPolarHBondContact O-CB 3.31Å; V725-A728 PolarHBondContact O-N 3.39Å; Y726-A728 VanDerWaalsContact C-N 3.28Å; Y726-A728 PolarHBondContact O-N 3.48Å; A728-K730 VanDerWaalsContact C-N 3.26Å; A728-K730 PolarHBondContact O-N 2.96Å; A728-E731 PolarHBondContact O-N 3.28Å; A728-A732 WeakPolarHBondContact O-CB 3.11Å; A728-A732 PolarHBondContact O-N 3.43Å
729M84.3Confident81.6Confident5 Ų549 Ų493%0.02524%0.24CC..Hα-helixtrans-62.2-37.9176.7-70.1178176.600111.2L28 L301 Q304 M305 M308 V725 Y726 A732 L733L28-M729 HydrophobicContact CD1-CE 4.04Å; L28-M729 HydrophobicContact CD2-CE 3.94Å; L28-M729 HydrophobicContact CD2-CG 4.4Å; L301-M729 HydrophobicContact CD2-CG 4.11Å; Q304-M729 HydrophobicContact CB-CE 3.79Å; Q304-M729 HydrophobicContact CB-SD 3.92Å; M305-M729 HydrophobicContact CB-CB 4.24Å; M305-M729 HydrophobicContact CB-SD 4.31Å; M305-M729 HydrophobicContact CG-CB 4.47Å; M308-M729 HydrophobicContact SD-CE 4.22Å; M308-M729 HydrophobicContact SD-SD 4.19Å; V725-M729 HydrophobicContact CG1-CE 3.66Å; V725-M729 HydrophobicContact CG1-SD 4.28Å; V725-M729 WeakPolarHBondContact O-CG 3.48Å; V725-M729 PolarHBondContact O-N 2.93Å; Y726-M729 PolarHBondContact O-N 3.26Å; M729-A732 PolarHBondContact O-N 3.49Å; M729-L733 WeakPolarHBondContact O-CB 3.3Å; M729-L733 WeakPolarHBondContact O-CG 3.27Å; M729-L733 PolarHBondContact O-N 2.82Å
730K85.9Confident80.4Confident99 Ų9951.3 Ų51.343%0.4326%0.262SS..Hα-helixtrans-66.3-45.8177.5-171.1174.6-177.2172.40112.2M305 Y726 D727 A728 A732 L733 N734M305-K730 HydrophobicContact SD-CB 4.25Å; Y726-K730 HydrophobicContact CE1-CD 4.46Å; Y726-K730 PolarHBondContact O-N 3.47Å; D727-K730 PolarHBondContact O-N 3.22Å; A728-K730 VanDerWaalsContact C-N 3.26Å; A728-K730 PolarHBondContact O-N 2.96Å; K730-A732 VanDerWaalsContact C-N 3.33Å; K730-A732 PolarHBondContact O-N 2.83Å; K730-L733 PolarHBondContact O-N 3.26Å; K730-N734 VanDerWaalsContact O-CG 3.31Å; K730-N734 PolarHBondContact O-N 2.9Å; K730-N734 PolarHBondContact O-ND2 3.33Å
731E84.3Confident79.3Confident86 Ų8650.8 Ų50.840%0.40226%0.258SS..Hα-helixtrans-59.9-44.4174.9-173.9175.3178.200111.2A20 D727 A728 L733 N734 I735A20-E731 HydrophobicContact CB-CG 4.18Å; D727-E731 PolarHBondContact O-N 3.31Å; A728-E731 PolarHBondContact O-N 3.28Å; E731-L733 PolarHBondContact O-N 3.44Å; E731-N734 WeakPolarHBondContact O-CB 3.11Å; E731-N734 PolarHBondContact O-N 2.91Å; E731-I735 HydrophobicContact CG-CD1 4.19Å; E731-I735 WeakPolarHBondContact O-CG1 3.37Å; E731-I735 PolarHBondContact O-N 2.99Å
732A83.4Confident77.7Confident0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-63-42.1177.400000113.5L17 F21 L301 A728 M729 K730 N734 I735 I736L17-A732 HydrophobicContact CD2-CB 3.79Å; L17-A732 WeakPolarHBondContact CD2-O 3.29Å; F21-A732 HydrophobicContact CE1-CB 4.12Å; F21-A732 HydrophobicContact CE2-CB 3.48Å; F21-A732 VanDerWaalsContact CE2-CB 3.48Å; F21-A732 HydrophobicContact CZ-CB 3.12Å; L301-A732 HydrophobicContact CD1-CB 4.23Å; A728-A732 WeakPolarHBondContact O-CB 3.11Å; A728-A732 PolarHBondContact O-N 3.43Å; M729-A732 PolarHBondContact O-N 3.49Å; K730-A732 VanDerWaalsContact C-N 3.33Å; K730-A732 PolarHBondContact O-N 2.83Å; A732-N734 VanDerWaalsContact C-N 3.29Å; A732-N734 PolarHBondContact O-N 3.34Å; A732-I735 PolarHBondContact O-N 3.01Å; A732-I736 VanDerWaalsContact O-CG1 3.31Å; A732-I736 WeakPolarHBondContact O-CG1 3.14Å; A732-I736 PolarHBondContact O-N 2.92Å
733L85.5Confident76.3Confident18 Ų1850.3 Ų50.39%0.09427%0.268CS..Hα-helixtrans-64.3-34.8175.5-75.8167.7000112.2R298 L301 Q302 M305 M729 K730 E731 S737R298-L733 HydrophobicContact CG-CD2 4.06Å; L301-L733 HydrophobicContact CB-CD2 3.97Å; L301-L733 HydrophobicContact CB-CG 4.22Å; Q302-L733 HydrophobicContact CB-CD1 4.37Å; Q302-L733 HydrophobicContact CB-CD2 4.21Å; M305-L733 HydrophobicContact CB-CD1 4.39Å; M305-L733 HydrophobicContact CE-CD1 3.85Å; M305-L733 HydrophobicContact SD-CD1 3.58Å; M305-L733 VanDerWaalsContact SD-CD1 3.58Å; M729-L733 WeakPolarHBondContact O-CB 3.3Å; M729-L733 WeakPolarHBondContact O-CG 3.27Å; M729-L733 PolarHBondContact O-N 2.82Å; K730-L733 PolarHBondContact O-N 3.26Å; E731-L733 PolarHBondContact O-N 3.44Å; L733-S737 WeakPolarHBondContact O-CB 3.27Å; L733-S737 PolarHBondContact O-N 3.43Å; L733-S737 PolarHBondContact O-OG 2.82Å
734N85.7Confident74.7Confident94 Ų9453.9 Ų53.950%0.50329%0.289SS..Hα-helixtrans-64.1-48.5172.7-70.2-23.2000110.8K730 E731 A732 I736 S737 E738K730-N734 VanDerWaalsContact O-CG 3.31Å; K730-N734 PolarHBondContact O-N 2.9Å; K730-N734 PolarHBondContact O-ND2 3.33Å; E731-N734 WeakPolarHBondContact O-CB 3.11Å; E731-N734 PolarHBondContact O-N 2.91Å; A732-N734 VanDerWaalsContact C-N 3.29Å; A732-N734 PolarHBondContact O-N 3.34Å; N734-I736 VanDerWaalsContact C-N 3.33Å; N734-I736 PolarHBondContact O-N 3.19Å; N734-S737 WeakPolarHBondContact O-CB 3.43Å; N734-S737 PolarHBondContact O-N 3.46Å; N734-E738 PolarHBondContact O-N 3.33Å
735I81.6Confident73.2Confident17 Ų1750.2 Ų50.29%0.08728%0.284CS..Hα-helixtrans-56-47.3177.1-68.8166000110.8L13 R16 L17 A20 E731 A732 S737 E738L13-I735 HydrophobicContact CD1-CG2 3.47Å; L13-I735 VanDerWaalsContact CD1-CG2 3.47Å; L13-I735 WeakPolarHBondContact CD1-O 3.44Å; L13-I735 HydrophobicContact CG-CG2 4.47Å; R16-I735 HydrophobicContact CB-CD1 4.41Å; R16-I735 HydrophobicContact CB-CG2 3.89Å; L17-I735 HydrophobicContact CD2-CB 3.79Å; L17-I735 HydrophobicContact CD2-CD1 4.35Å; L17-I735 HydrophobicContact CD2-CG2 3.64Å; L17-I735 HydrophobicContact CG-CG2 3.85Å; A20-I735 HydrophobicContact CB-CD1 3.75Å; E731-I735 HydrophobicContact CG-CD1 4.19Å; E731-I735 WeakPolarHBondContact O-CG1 3.37Å; E731-I735 PolarHBondContact O-N 2.99Å; A732-I735 PolarHBondContact O-N 3.01Å; I735-S737 VanDerWaalsContact C-N 3.28Å; I735-S737 PolarHBondContact O-N 3.4Å; I735-E738 PolarHBondContact O-N 3.15Å
736I81Confident72Confident4 Ų451.9 Ų51.92%0.02129%0.294CS..Hα-helixtrans-59.9-38.6177.1-66.7171.1000111.5L17 L294 R298 L301 A732 N734 E738L17-I736 HydrophobicContact CD1-CD1 4.29Å; L17-I736 HydrophobicContact CD1-CG1 3.88Å; L17-I736 HydrophobicContact CD2-CD1 4.38Å; L17-I736 HydrophobicContact CD2-CG1 3.92Å; L17-I736 HydrophobicContact CG-CG1 4.48Å; L294-I736 HydrophobicContact CD1-CD1 4.27Å; L294-I736 HydrophobicContact CD1-CG1 4.13Å; L294-I736 HydrophobicContact CD1-CG2 4.41Å; L294-I736 HydrophobicContact CG-CG2 4.41Å; R298-I736 HydrophobicContact CB-CD1 4.36Å; R298-I736 HydrophobicContact CB-CG2 4.19Å; R298-I736 HydrophobicContact CG-CG2 4.17Å; L301-I736 HydrophobicContact CD1-CD1 3.81Å; A732-I736 VanDerWaalsContact O-CG1 3.31Å; A732-I736 WeakPolarHBondContact O-CG1 3.14Å; A732-I736 PolarHBondContact O-N 2.92Å; N734-I736 VanDerWaalsContact C-N 3.33Å; N734-I736 PolarHBondContact O-N 3.19Å; I736-E738 VanDerWaalsContact C-N 3.27Å; I736-E738 PolarHBondContact O-N 3.44Å
737S79.9Confident70.5Confident70 Ų7057.1 Ų57.149%0.4933%0.33SS..Hα-helixtrans-71.6-19.6-176-60.50000113.7L733 N734 I735 V739L733-S737 WeakPolarHBondContact O-CB 3.27Å; L733-S737 PolarHBondContact O-N 3.43Å; L733-S737 PolarHBondContact O-OG 2.82Å; N734-S737 WeakPolarHBondContact O-CB 3.43Å; N734-S737 PolarHBondContact O-N 3.46Å; I735-S737 VanDerWaalsContact C-N 3.28Å; I735-S737 PolarHBondContact O-N 3.4Å; S737-V739 VanDerWaalsContact C-N 3.29Å; S737-V739 PolarHBondContact O-N 2.64Å
738E71.3Confident69.2Low123 Ų12357.3 Ų57.358%0.57533%0.33SS*.THydrogen-bonded Turntrans-72.1-19.4179.4-70.6175.4-177.700113.9R16 N734 I735 I736R16-E738 IonicContact CZ-OE2 3.57Å; R16-E738 IonicContact NH1-OE2 2.94Å; R16-E738 PolarHBondContact NH1-OE2 3.33Å; R16-E738 IonicContact NH2-OE2 3.23Å; R16-E738 PolarHBondContact NH2-OE2 2.95Å; N734-E738 PolarHBondContact O-N 3.33Å; I735-E738 PolarHBondContact O-N 3.15Å; I736-E738 VanDerWaalsContact C-N 3.27Å; I736-E738 PolarHBondContact O-N 3.44Å
739V65.7Low68Low11 Ų1160 Ų607%0.06735%0.347CS..SBendtrans-106.2116.5-177.6178.50000110.2L10 L13 S737 M741L10-V739 HydrophobicContact CD2-CG1 4.12Å; L13-V739 HydrophobicContact CB-CG2 4.31Å; L13-V739 HydrophobicContact CD1-CB 4.44Å; L13-V739 HydrophobicContact CD1-CG2 3.77Å; L13-V739 HydrophobicContact CD2-CB 4.17Å; L13-V739 HydrophobicContact CD2-CG2 4.18Å; L13-V739 HydrophobicContact CG-CG2 4.32Å; S737-V739 VanDerWaalsContact C-N 3.29Å; S737-V739 PolarHBondContact O-N 2.64Å; V739-M741 PolarHBondContact O-N 2.94Å
740S55.3Low66.5Low83 Ų8364.7 Ų64.758%0.5838%0.379SS*.  trans-68.9116.8171.9-175.10000110.1S742S740-S742 PolarHBondContact O-N 3.42Å; S740-S742 PolarHBondContact OG-OG 3.06Å
741M58Low65.1Low60 Ų6064.5 Ų64.530%0.29639%0.387SS..  trans-72.66.3-178.6-62.2-165.767.500114.5R291 L294 P295 V739 T743R291-M741 HydrophobicContact CG-CE 4.39Å; R291-M741 WeakPolarHBondContact O-CE 3.46Å; L294-M741 HydrophobicContact CB-CE 4.12Å; L294-M741 HydrophobicContact CD2-CE 4.01Å; L294-M741 HydrophobicContact CD2-SD 4.09Å; L294-M741 HydrophobicContact CG-CE 4.42Å; L294-M741 HydrophobicContact CG-SD 4.49Å; P295-M741 HydrophobicContact CG-CE 3.59Å; P295-M741 HydrophobicContact CG-SD 4.06Å; V739-M741 PolarHBondContact O-N 2.94Å; M741-T743 PolarHBondContact O-N 2.96Å
742S48.7Very low63.9Low92 Ų9263 Ų6364%0.64338%0.384SS*.  trans-69.385.1178.4510000111.7S740S740-S742 PolarHBondContact O-N 3.42Å; S740-S742 PolarHBondContact OG-OG 3.06Å
743T52.5Low62.4Low28 Ų2867.9 Ų67.917%0.17241%0.41CS..  trans-142.2150.3177.655.30000112.1N4 M7 R291 M741N4-T743 HydrophobicContact CB-CG2 4.04Å; N4-T743 WeakPolarHBondContact OD1-CA 3.4Å; M7-T743 HydrophobicContact CG-CG2 4.02Å; R291-T743 VanDerWaalsContact CZ-OG1 3.3Å; R291-T743 PolarHBondContact NE-OG1 2.86Å; R291-T743 VanDerWaalsContact NH2-CB 3.32Å; R291-T743 PolarHBondContact NH2-OG1 3.43Å; M741-T743 PolarHBondContact O-N 2.96Å
744V47.7Very low60.8Low107 Ų10769.9 Ų69.965%0.64842%0.421SS*.PPolyproline II helixtrans-84134.9177.6-178.10000110.9N4 M7 R291N4-V744 PolarHBondContact ND2-N 3.18Å; N4-V744 VanDerWaalsContact ND2-N 3.2Å; N4-V744 PolarHBondContact ND2-O 3.24Å; N4-V744 PolarHBondContact OD1-N 3.38Å; M7-V744 VanDerWaalsContact CE-O 3.23Å; M7-V744 WeakPolarHBondContact CE-O 3.43Å; R291-V744 PolarHBondContact NH2-O 3.23Å
745S52.1Low59.2Low56 Ų5670 Ų7039%0.39242%0.421SS..PPolyproline II helixtrans-97.5152.5178.1-172.30000112.4
746T56.7Low57.8Low57 Ų5774 Ų7435%0.3544%0.435SS..PPolyproline II helixtrans-89134.4161.350.30000109Q284 N288 I748Q284-T746 PolarHBondContact NE2-OG1 3.06Å; N288-T746 PolarHBondContact ND2-OG1 2.85Å; N288-T746 VanDerWaalsContact ND2-OG1 3.11Å; T746-I748 PolarHBondContact O-N 2.99Å
747P54.1Low56.3Low122 Ų12279 Ų7979%0.79246%0.462SS*.PPolyproline II helixtrans-57.8135.1-18022.6-31.6000111.3
748I57.8Low54.9Low71 Ų7182.3 Ų82.336%0.36447%0.473SS..PPolyproline II helixtrans-64.7142.2172.4-54.8170.2000107.9T746T746-I748 PolarHBondContact O-N 2.99Å
749P56Low53.5Low56 Ų5680.6 Ų80.636%0.36448%0.475SS..PPolyproline II helixtrans-53.3146.2172-24.633.2000112R229R229-P749 PolarHBondContact NE-O 3.17Å; R229-P749 PolarHBondContact NH2-O 3.44Å; R229-P749 VanDerWaalsContact NH2-O 3.11Å
750P52.9Low52.2Low105 Ų10586.3 Ų86.368%0.68251%0.505SS*.PPolyproline II helixtrans-58.5153.1175.924.5-32.6000111
751P57.9Low51.3Low94 Ų9489.5 Ų89.561%0.6151%0.514SS*.PPolyproline II helixtrans-53.7144.1172.4-20.131.2000110.6
752V58.7Low50.2Low54 Ų5492.8 Ų92.833%0.32754%0.54SS..PPolyproline II helixtrans-79.8136.4172.4-163.50000108.5P227 R229P227-V752 HydrophobicContact CB-CB 3.94Å; P227-V752 HydrophobicContact CB-CG1 3.3Å; P227-V752 HydrophobicContact CB-CG2 4.14Å; P227-V752 HydrophobicContact CG-CG1 3.9Å; R229-V752 HydrophobicContact CB-CG2 4.49Å
753N50.6Low49.5Very low104 Ų10491.9 Ų91.956%0.55655%0.545SS*.PPolyproline II helixtrans-82119.5176.7-168.65.7000109.8D755N753-D755 VanDerWaalsContact C-N 3.33Å; N753-D755 PolarHBondContact ND2-OD2 3.4Å; N753-D755 PolarHBondContact OD1-N 3.24Å; N753-D755 PolarHBondContact OD1-OD2 3.03Å; N753-D755 VanDerWaalsContact OD1-OD2 3.11Å
754D51.6Low48.5Very low59 Ų5993.6 Ų93.632%0.31657%0.568SS.*  trans-86.30.6-179.2-73.1-25.4000113.2W756 L757D754-W756 PolarHBondContact O-N 2.66Å; D754-L757 WeakPolarHBondContact O-CB 3.43Å; D754-L757 PolarHBondContact O-N 3.25Å
755D53.3Low47.7Very low96 Ų9697.3 Ų97.351%0.51358%0.583SS.*G310 helixtrans-53.4-24.3-175-76.2-22.6000114.6N753 L757 L758 S759N753-D755 VanDerWaalsContact C-N 3.33Å; N753-D755 PolarHBondContact ND2-OD2 3.4Å; N753-D755 PolarHBondContact OD1-N 3.24Å; N753-D755 PolarHBondContact OD1-OD2 3.03Å; N753-D755 VanDerWaalsContact OD1-OD2 3.11Å; D755-L757 VanDerWaalsContact C-N 3.32Å; D755-L757 PolarHBondContact O-N 3Å; D755-L758 PolarHBondContact O-N 3.36Å; D755-S759 PolarHBondContact O-OG 3.36Å
756W52.5Low46.8Very low102 Ų102100.8 Ų100.839%0.38660%0.602SS.*G310 helixtrans-69.4-26.3178.173.7-82.1000113.2L225 P227 D754 L758 S759L225-W756 WeakPolarHBondContact O-CH2 3.29Å; L225-W756 WeakPolarHBondContact O-CZ2 3.29Å; P227-W756 HydrophobicContact CG-CZ2 4.36Å; D754-W756 PolarHBondContact O-N 2.66Å; W756-L758 PolarHBondContact O-N 3.29Å; W756-S759 WeakPolarHBondContact O-CB 3.32Å; W756-S759 PolarHBondContact O-N 3.33Å; W756-S759 VanDerWaalsContact O-N 3.09Å
757L49.9Very low45.6Very low110 Ų110102.6 Ų102.658%0.57662%0.623SS**G310 helixtrans-66.2-22.5173.9-85.6160.7000113D754 D755 S759D754-L757 WeakPolarHBondContact O-CB 3.43Å; D754-L757 PolarHBondContact O-N 3.25Å; D755-L757 VanDerWaalsContact C-N 3.32Å; D755-L757 PolarHBondContact O-N 3Å; L757-S759 VanDerWaalsContact C-N 3.33Å
758L49.9Very low44.4Very low138 Ų138103.3 Ų103.372%0.72363%0.628SS**G310 helixtrans-84.6-9.5175.8-71.8162.5000112.7D755 W756D755-L758 PolarHBondContact O-N 3.36Å; W756-L758 PolarHBondContact O-N 3.29Å
759S41.7Very low43.1Very low87 Ų87103.7 Ų103.761%0.60865%0.65SS**SBendtrans-89.4-10.2-168.3-57.90000114.5D755 W756 L757 I761D755-S759 PolarHBondContact O-OG 3.36Å; W756-S759 WeakPolarHBondContact O-CB 3.32Å; W756-S759 PolarHBondContact O-N 3.33Å; W756-S759 VanDerWaalsContact O-N 3.09Å; L757-S759 VanDerWaalsContact C-N 3.33Å; S759-I761 PolarHBondContact O-N 3.04Å
760D38.9Very low41.9Very low132 Ų132106.4 Ų106.471%0.70667%0.67SS**  trans-99.352.6-178.9-76.9-21.8000113.1P762D760-P762 VanDerWaalsContact O-CD 3.3Å; D760-P762 WeakPolarHBondContact O-CD 3.46Å
761I35.8Very low40.8Very low150 Ų150108.7 Ų108.777%0.76968%0.682SS**  trans-97.795.1157.9-54.7175.8000106.7S759 G763S759-I761 PolarHBondContact O-N 3.04Å; I761-G763 PolarHBondContact O-N 2.93Å; I761-G763 VanDerWaalsContact O-N 3.17Å
762P34.2Very low39.6Very low129 Ų129107 Ų10784%0.83868%0.682SS**  trans-83.597.8-177.411.18.2000107.9D760D760-P762 VanDerWaalsContact O-CD 3.3Å; D760-P762 WeakPolarHBondContact O-CD 3.46Å
763G34.3Very low38.3Very low73 Ų73111 Ų11175%0.75371%0.706SS**  trans172.480.8177.200000113.3I761I761-G763 PolarHBondContact O-N 2.93Å; I761-G763 VanDerWaalsContact O-N 3.17Å
764G31.3Very low37.4Very low64 Ų64114 Ų11466%0.6672%0.722SS**  trans176.555.9176.500000114.1T766G764-T766 PolarHBondContact O-N 3.02Å
765L31.6Very low36.6Very low184 Ų184116.8 Ų116.896%0.96374%0.743SS**  trans-63.589.9157.8-74.7166.6000108.2
766T33.2Very low36Very low129 Ų129117.8 Ų117.879%0.79175%0.754SS**  trans-132.2113.4162.853.50000109.2G764G764-T766 PolarHBondContact O-N 3.02Å
767A31.6Very low35.2Very low95 Ų95119 Ų11979%0.78578%0.776SS**  trans-52.5151.5-176.900000113.6
768P29.7Very low34.4Very low137 Ų137119.1 Ų119.189%0.8979%0.786SS**SBendtrans-77.6132.5179.831-31.4000110.7
769G29.6Very low33.6Very low80 Ų80118.6 Ų118.683%0.82579%0.79SS**  trans130.888.1163.300000114.1
770S30.7Very low33.4Very low113 Ų113121.4 Ų121.479%0.7980%0.804SS**  trans-169.1104.9143.5-1790000108.9G772S770-G772 PolarHBondContact O-N 3.04Å
771T29.7Very low33.2Very low153 Ų153119.5 Ų119.594%0.93981%0.807SS**  trans-64.881164.242.60000108.9
772G32.1Very low33.3Very low59 Ų59120.4 Ų120.461%0.60881%0.813SS**  trans-98.2105.7175.800000110.8S770 L774S770-G772 PolarHBondContact O-N 3.04Å; G772-L774 PolarHBondContact O-N 3.24Å
773T33.1Very low33.4Very low137 Ų137126 Ų12684%0.8482%0.817SS**PPolyproline II helixtrans-47.5126.8171.7440000112.7
774L30.5Very low33.3Very low168 Ų168133.9 Ų133.988%0.8883%0.825SS**PPolyproline II helixtrans-57.2128.2172.7-73.1157.6000110.9G772G772-L774 PolarHBondContact O-N 3.24Å
775P35.9Very low33.8Very low116 Ų116136.3 Ų136.375%0.75383%0.829SS**PPolyproline II helixtrans-76.8145169.130.3-30.4000110.7
776P39.8Very low34.4Very low117 Ų117133.5 Ų133.576%0.7682%0.822SS**PPolyproline II helixtrans-74.3154.1-174.729.7-34.4000112.9
777P35.7Very low34.5Very low128 Ų128131.9 Ų131.983%0.83182%0.821SS**PPolyproline II helixtrans-75.4131.6-175.428.9-32.8000112.6
778S32.4Very low35.1Very low113 Ų113133 Ų13379%0.7982%0.82SS**PPolyproline II helixtrans-71.1141.3173-36.70000111.8
779P34.3Very low35.7Very low126 Ų126132 Ų13282%0.81881%0.814SS**PPolyproline II helixtrans-94.4128.5-178.834.9-28.6000111.2
780T37.7Very low36.3Very low146 Ų146133.8 Ų133.890%0.89681%0.811SS**  trans-132.7118160.346.70000110.5
781A34.2Very low36.6Very low93 Ų93134.6 Ų134.677%0.76981%0.814SS**  trans-70.6134.7-177.800000112.3
782N38.4Very low36.6Very low168 Ų168131.3 Ų131.390%0.89881%0.81SS**  trans-169.369.7147.6-101.5-11.8000108.8
783R35.8Very low36.5Very low246 Ų246131.6 Ų131.693%0.92881%0.813SS**  trans-115.7108.1164.4-82.4-171.6175.6-172-0.7108.5
784R32Very low36.3Very low239 Ų239137.7 Ų137.790%0.90282%0.821SS**PPolyproline II helixtrans-56.4138.1166.3-95.6178.1169.6-179.3-3.6109.5
785P42.7Very low36Very low115 Ų115135.6 Ų135.675%0.74782%0.82SS**PPolyproline II helixtrans-76.6149.1178.930.4-32.6000111.7
786P43.2Very low35.8Very low126 Ų126135.1 Ų135.182%0.81882%0.82SS**PPolyproline II helixtrans-72.2146.6172.329.2-31.6000111.5
787A36.6Very low35.3Very low94 Ų94135.5 Ų135.578%0.77782%0.82SS**PPolyproline II helixtrans-68.4152.7-179.200000112.7
788P42.8Very low34.8Very low118 Ų118136.7 Ų136.777%0.76682%0.82SS**PPolyproline II helixtrans-80.6150.7-17318-6.5000113.1
789P43.3Very low34.7Very low117 Ų117137 Ų13776%0.7682%0.822SS**PPolyproline II helixtrans-75.8156.8177.330.4-33.2000112.8
790P42Very low34.4Very low118 Ų118137.7 Ų137.777%0.76682%0.824SS**PPolyproline II helixtrans-69.3160.1-178.5-8.724.4000112.9
791P35.9Very low34Very low130 Ų130134 Ų13484%0.84482%0.815SS**PPolyproline II helixtrans-75.3138.5-167.631.2-33.3000112.4
792G30.4Very low33.6Very low84 Ų84135 Ų13587%0.86682%0.816SS**PPolyproline II helixtrans-71.9157172.600000113.3
793G29.1Very low33.2Very low65 Ų65135 Ų13567%0.6782%0.815SS**  trans-178.1107.5170.500000113.3
794W29.4Very low33Very low264 Ų264132.1 Ų132.1100%181%0.809SS**  trans101.679.6148.9-52.2-1.7000116.8
795S25.4Very low32.7Very low124 Ų124124.4 Ų124.487%0.86780%0.804SS**  trans-68.7127.5147.953.50000110.9
796S30.7Very low32.2Very low107 Ų107124.9 Ų124.975%0.74881%0.81SS**  trans-136.6104159.7-172.80000110.1
797T29.3Very low31.7Very low124 Ų124123.1 Ų123.176%0.76181%0.806SS**  trans37.8113.5145.462.20000121.3
798N25.2Very low31.5Very low154 Ų154124.7 Ų124.782%0.82481%0.809SS**  trans-11.7125.4141.1-75.5-17.2000117.4
799S29.6Very low31Very low119 Ų119130.8 Ų130.883%0.83282%0.816SS**  trans-137.793.414264.80000110.1G801S799-G801 PolarHBondContact O-N 3.19Å; S799-G801 VanDerWaalsContact O-N 3.16Å
800T28.4Very low30.3Very low140 Ų140134.3 Ų134.386%0.85982%0.823SS**  trans-74.192.2166.933.70000109.2
801G29.5Very low29.9Very low70 Ų70135 Ų13572%0.72283%0.825SS**  trans-101.395.7169.300000110.9S799 I803S799-G801 PolarHBondContact O-N 3.19Å; S799-G801 VanDerWaalsContact O-N 3.16Å; G801-I803 PolarHBondContact O-N 3.45Å
802S26Very low29.8Very low113 Ų113134.4 Ų134.479%0.7982%0.82SS**  trans-68.7107.9170.5154.90000110
803I30.9Very low29.8Very low168 Ų168136.2 Ų136.286%0.86282%0.82SS**  trans-111.1125.1164.9-64179.3000109.5G801G801-I803 PolarHBondContact O-N 3.45Å
804K29.9Very low30.1Very low185 Ų185139.4 Ų139.480%0.80483%0.826SS**  trans-65.5151.1-175.5-70.3172.2171.6176.40112.8
805G26.6Very low30.3Very low78 Ų78132.6 Ų132.680%0.80482%0.816SS**  trans-17.8131.8168.900000118.4
806S31.4Very low30.5Very low125 Ų125131.2 Ų131.287%0.87481%0.812SS**  trans-127128.1151.1-73.60000108.1
807A33.2Very low30.5Very low89 Ų89136.3 Ų136.374%0.73682%0.821SS**PPolyproline II helixtrans-58.4155.7-171.700000113.8R809A807-R809 PolarHBondContact O-N 3.01Å
808P33.4Very low30.7Very low127 Ų127137 Ų13783%0.82583%0.825SS**PPolyproline II helixtrans-67.8126.2-173.927.2-33.2000111.3Q810P808-Q810 PolarHBondContact O-N 3.12Å
809R30.8Very low31.1Very low245 Ų245134.9 Ų134.993%0.92582%0.822SS**PPolyproline II helixtrans-67.8121170.4-81.1-177.1174.4-161.9-1.7109.2A807 V811A807-R809 PolarHBondContact O-N 3.01Å; R809-V811 PolarHBondContact O-N 3.13Å
810Q29.7Very low31.3Very low192 Ų192134.9 Ų134.990%0.89782%0.822SS**PPolyproline II helixtrans-58.1128.2170-72.9177.3-1200110.1P808P808-Q810 PolarHBondContact O-N 3.12Å
811V34.3Very low31.6Very low133 Ų133131.4 Ų131.481%0.80681%0.814SS**PPolyproline II helixtrans-71138.7171.1-99.50000109.8R809R809-V811 PolarHBondContact O-N 3.13Å
812P32.3Very low31.7Very low116 Ų116137.2 Ų137.275%0.75382%0.822SS**PPolyproline II helixtrans-72134.8-174.7-11.227.2000111.8V814P812-V814 PolarHBondContact O-N 2.87Å
813S31.5Very low32Very low123 Ų123139.7 Ų139.786%0.8683%0.826SS**PPolyproline II helixtrans-56.9118.4170.5-690000111.4
814V34.1Very low32.1Very low132 Ų132137.3 Ų137.380%0.882%0.821SS**PPolyproline II helixtrans-74.5131.9171.8178.30000109P812P812-V814 PolarHBondContact O-N 2.87Å
815P33.4Very low32.3Very low120 Ų120133.4 Ų133.478%0.77982%0.818SS**PPolyproline II helixtrans-67.3147.8-176.4-15.429.1000113
816A31.4Very low32.5Very low96 Ų96135.6 Ų135.679%0.79382%0.817SS**PPolyproline II helixtrans-61.7142.9-177.400000113.7T818A816-T818 PolarHBondContact O-N 3.37Å
817K29.9Very low32.5Very low213 Ų213137.8 Ų137.893%0.92682%0.818SS**  trans-42.8115.4173.5-67.6172.2174.2177.70112.3
818T33.8Very low32.5Very low138 Ų138140.7 Ų140.785%0.84782%0.82SS**  trans-85.9140157.751.90000109.4A816A816-T818 PolarHBondContact O-N 3.37Å
819S33.2Very low32.3Very low111 Ų111140.5 Ų140.578%0.77682%0.819SS**  trans-58.4137.4-171.347.90000114G821S819-G821 PolarHBondContact O-N 2.97Å; S819-G821 VanDerWaalsContact O-N 3.12Å
820S33.8Very low32.3Very low118 Ų118137.8 Ų137.883%0.82582%0.817SS**  trans-29.2101.8162.351.30000114.9
821G34.4Very low32.2Very low67 Ų67139.2 Ų139.269%0.69181%0.814SS**  trans-85115.1153.200000108.3S819 L823S819-G821 PolarHBondContact O-N 2.97Å; S819-G821 VanDerWaalsContact O-N 3.12Å; G821-L823 PolarHBondContact O-N 3.12Å; G821-L823 VanDerWaalsContact O-N 3.1Å
822Q32.5Very low31.8Very low192 Ų192141.2 Ų141.290%0.89782%0.819SS**  trans-57.7111.1170.2-78.8172.9-55.200108.8
823L31.2Very low31.8Very low165 Ų165145.6 Ų145.686%0.86482%0.822SS**PPolyproline II helixtrans-68.6124.8166.4-80.9154.6000108G821G821-L823 PolarHBondContact O-N 3.12Å; G821-L823 VanDerWaalsContact O-N 3.1Å
824P33.8Very low31.9Very low118 Ų118145.7 Ų145.777%0.76682%0.82SS**PPolyproline II helixtrans-67.8141.6178.625.4-30.7000111.1
825S33.1Very low31.6Very low104 Ų104143.4 Ų143.473%0.72782%0.815SS**PPolyproline II helixtrans-57.9144.4174.9-57.30000111.6L827S825-L827 PolarHBondContact O-N 3.28Å
826P31.8Very low31.5Very low123 Ų123145.1 Ų145.180%0.79982%0.817SS**PPolyproline II helixtrans-63.1131.9-177.124.1-32000111.7I828P826-I828 PolarHBondContact O-N 3.19Å
827L31Very low31.3Very low171 Ų171148.8 Ų148.890%0.89582%0.82SS**PPolyproline II helixtrans-65.8126.3176.9-8896.5000111.2S825S825-L827 PolarHBondContact O-N 3.28Å
828I33.9Very low31.2Very low151 Ų151148.2 Ų148.277%0.77482%0.818SS**PPolyproline II helixtrans-79.4130.9169.2-60.6170.8000108.3P826 Q830P826-I828 PolarHBondContact O-N 3.19Å; I828-Q830 PolarHBondContact O-N 3.26Å; I828-Q830 VanDerWaalsContact O-N 3.16Å
829P29.1Very low31.1Very low122 Ų122147.4 Ų147.479%0.79282%0.815SS**  trans-67.4112.6-179.6-14.227.8000111.2R831P829-R831 PolarHBondContact O-N 3.2Å
830Q29.8Very low30.8Very low188 Ų188148.4 Ų148.488%0.87982%0.816SS**  trans-81.9110.6169.8-69-168.6-15.600109.4I828 L832I828-Q830 PolarHBondContact O-N 3.26Å; I828-Q830 VanDerWaalsContact O-N 3.16Å; Q830-L832 PolarHBondContact O-N 2.65Å
831R28.4Very low30.6Very low223 Ų223149.5 Ų149.584%0.84282%0.818SS**  trans-72.3121.1164.9-90.7-176.6176.7167.30.1108.7P829 Y833P829-R831 PolarHBondContact O-N 3.2Å; R831-Y833 WeakPolarHBondContact O-CD2 3.11Å; R831-Y833 PolarHBondContact O-N 3.05Å
832L26.6Very low30.3Very low174 Ų174155.2 Ų155.291%0.91182%0.824SS**  trans-61.6112.2171.9-77.1149.4000109.6Q830Q830-L832 PolarHBondContact O-N 2.65Å
833Y32.3Very low30Very low208 Ų208154 Ų15482%0.81682%0.823SS**PPolyproline II helixtrans-82.4137.9167.3-70.5-84000109.3R831 A835R831-Y833 WeakPolarHBondContact O-CD2 3.11Å; R831-Y833 PolarHBondContact O-N 3.05Å; Y833-A835 PolarHBondContact O-N 3.4Å
834P32.5Very low30.1Very low125 Ų125151.8 Ų151.881%0.81282%0.821SS**PPolyproline II helixtrans-67.3120.4169-5.821.7000108.5
835A28.8Very low29.8Very low85 Ų85153.8 Ų153.870%0.70283%0.825SS**PPolyproline II helixtrans-65.5150164.900000109.3Y833Y833-A835 PolarHBondContact O-N 3.4Å
836D31Very low29.7Very low155 Ų155154.3 Ų154.383%0.82983%0.829SS**  trans9762.1173.4-53.3-23.2000117.4
837M27.3Very low29.6Very low173 Ų173154.8 Ų154.885%0.85283%0.833SS**  trans-155.273.4144.9-78.5-156.175.300111.5
838F26.8Very low29.7Very low202 Ų202150.2 Ų150.289%0.88683%0.827SS**  trans-144.4111.6162.4-76.3-72.3000111.4
839P31.5Very low29.3Very low120 Ų120150.5 Ų150.578%0.77983%0.828SS**  trans-80.3120.6160.524.4-14.5000109.2V841P839-V841 PolarHBondContact O-N 3.03Å
840V26.7Very low29.4Very low133 Ų133152.1 Ų152.181%0.80683%0.828SS**  trans-61.5114.8173.8175.80000109.7
841V30.7Very low29.2Very low140 Ų140150.6 Ų150.685%0.84883%0.826SS**  trans-108.8121.8162.5-179.50000107.9P839P839-V841 PolarHBondContact O-N 3.03Å
842K28.6Very low29.5Very low188 Ų188144.4 Ų144.482%0.81782%0.817SS**  trans-63.6142.4-169.7-75.7172.7170.3175.90113.5
843D25.8Very low29.4Very low167 Ų167145.4 Ų145.489%0.89382%0.82SS**  trans-46.7136.4165.7-65.9-56000113.6
844S32Very low29.5Very low118 Ų118140.2 Ų140.283%0.82581%0.81SS**  trans-136.3118.6152.3520000109.8
845N28.4Very low29.4Very low159 Ų159139.9 Ų139.985%0.8581%0.811SS**  trans-51137.8172.8-75.1-40.3000112.7
846S31.5Very low29.5Very low115 Ų115144.5 Ų144.580%0.80482%0.815SS**  173.8136.3118.640.40000112.2
847P29.3Very low29.7Very low134 Ų134142.4 Ų142.487%0.8781%0.81SS**  trans-89112.417833.3-27.9000110.2
848G32.2Very low30Very low75 Ų75142.6 Ų142.677%0.77381%0.813SS**  trans-107.4104.9174.100000111.1I850G848-I850 PolarHBondContact O-N 3.39Å
849I26.3Very low30.4Very low157 Ų157139 Ų13981%0.80581%0.808SS**  trans-72.2113.7169.7-62.4166.2000108
850I31.8Very low30.6Very low155 Ų155138.3 Ų138.380%0.79580%0.803SS**  trans-137.1107.1160.3-59.4-177.9000109.1G848G848-I850 PolarHBondContact O-N 3.39Å
851N26Very low31.1Very low156 Ų156137.8 Ų137.883%0.83480%0.803SS**  trans-71.7119158.9-82-32.8000108.8
852S32.7Very low31.3Very low94 Ų94136.7 Ų136.766%0.65780%0.801SS**  trans-153.9113.9151.1630000110.3T854S852-T854 PolarHBondContact O-N 2.92Å
853M25.6Very low31.8Very low194 Ų194135.2 Ų135.296%0.95680%0.801SS**  trans-62.3121.9165.3-68-173.1166.800109.7
854T33.7Very low32.5Very low99 Ų99132.8 Ų132.861%0.60779%0.794SS**  trans-136.7106.3157.1500000108.8S852 F856S852-T854 PolarHBondContact O-N 2.92Å; T854-F856 PolarHBondContact O-N 3.45Å
855S30.5Very low32.8Very low119 Ų119135.7 Ų135.783%0.83283%0.825SS**  trans-60.2112167.549.60000110
856F32.4Very low33Very low182 Ų182134.5 Ų134.580%0.79882%0.823SS**  trans-84.7124.2169.4-81.3-84000109.9T854T854-F856 PolarHBondContact O-N 3.45Å
857P34.8Very low33.1Very low110 Ų110135.5 Ų135.571%0.71482%0.824SS**  trans-75.9125.5171.429.8-29.3000109.5V859P857-V859 PolarHBondContact O-N 2.8Å; P857-V859 VanDerWaalsContact O-N 3.11Å
858L33.3Very low33.3Very low177 Ų177135.6 Ų135.693%0.92782%0.822SS**  trans-63.1104.1170.9-85.7134.4000109.5
859V35.6Very low33.4Very low127 Ų127139.2 Ų139.277%0.7783%0.825SS**PPolyproline II helixtrans-86.7121.1166.3179.90000107.9P857P857-V859 PolarHBondContact O-N 2.8Å; P857-V859 VanDerWaalsContact O-N 3.11Å
860P35.1Very low33.8Very low106 Ų106138.1 Ų138.169%0.68883%0.826SS**PPolyproline II helixtrans-70.4148.7179.927-31.9000111.6S862P860-S862 PolarHBondContact O-N 2.85Å
861P37.4Very low33.9Very low122 Ų122136.9 Ų136.979%0.79283%0.828SS**PPolyproline II helixtrans-68.4131.2-175.626.9-32.1000111.4I863P861-I863 PolarHBondContact O-N 3.5Å
862S35.2Very low34.5Very low116 Ų116135.6 Ų135.681%0.81183%0.828SS**PPolyproline II helixtrans-66.4124171.547.20000110.9P860P860-S862 PolarHBondContact O-N 2.85Å
863I37.8Very low34.6Very low158 Ų158138.8 Ų138.881%0.8184%0.841SS**PPolyproline II helixtrans-72128.2171.9-60170.8000108.1P861P861-I863 PolarHBondContact O-N 3.5Å
864P40.8Very low35.4Very low116 Ų116134.2 Ų134.275%0.75383%0.831SS**PPolyproline II helixtrans-70.4144.5175.129.9-31.7000110.3
865A38Very low35.5Very low178 Ų178137.4 Ų137.4100%1.47185%0.852SS**  trans-570-177.100000114.5

Retrieved 865 of 865 residues in 214 ms (Link to these results)

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