C4Q2F2_SCHMA Loading...

Calcyphosine/tpp, putative

AlphaFold DB , UniProt , Accession C4Q2F2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 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
1M50.1Low64.9Low149 Ų14993.5 Ų93.573%0.73451%0.509SS*.  0133.40-68.6177.4-63.400107.6E5 V6 R9M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CB-CB 4.28Å; M1-V6 HydrophobicContact CB-CG2 3.94Å; M1-V6 HydrophobicContact CE-CG2 4.25Å; M1-R9 PolarHBondContact SD-NH1 3.36Å
2T59Low66.5Low73 Ų7391.3 Ų91.345%0.44849%0.493SS..  trans-70.8159.8173.962.20000110.1S4 E5 V6T2-S4 PolarHBondContact O-N 3.01Å; T2-S4 PolarHBondContact OG1-OG 3.31Å; T2-E5 PolarHBondContact N-OE2 3.11Å; T2-E5 PolarHBondContact O-N 2.75Å; T2-E5 VanDerWaalsContact O-N 3.07Å; T2-E5 VanDerWaalsContact OG1-CG 3.26Å; T2-E5 WeakPolarHBondContact OG1-CG 3.42Å; T2-E5 PolarHBondContact OG1-N 3.06Å; T2-E5 VanDerWaalsContact OG1-N 3.13Å; T2-V6 PolarHBondContact O-N 3.29Å; T2-V6 VanDerWaalsContact O-N 3.14Å
3A52.1Low68.1Low89 Ų8988.3 Ų88.374%0.73648%0.483SS*.Hα-helixtrans-55.5-35.4174.500000111.8V6 D7A3-V6 PolarHBondContact O-N 2.93Å; A3-D7 WeakPolarHBondContact O-CB 3.36Å; A3-D7 PolarHBondContact O-N 3.38Å; A3-D7 VanDerWaalsContact O-N 3.09Å
4S60.6Low69.4Low72 Ų7288.2 Ų88.250%0.50348%0.482SS..Hα-helixtrans-67.8-37.9175.357.20000113.5T2 V6 D7 I8T2-S4 PolarHBondContact O-N 3.01Å; T2-S4 PolarHBondContact OG1-OG 3.31Å; S4-V6 VanDerWaalsContact C-N 3.34Å; S4-D7 PolarHBondContact O-N 3.33Å; S4-I8 WeakPolarHBondContact O-CB 3.38Å; S4-I8 WeakPolarHBondContact O-CD1 3.44Å; S4-I8 WeakPolarHBondContact O-CG1 3.31Å; S4-I8 PolarHBondContact O-N 3.24Å
5E60.3Low70.7Confident90 Ų9083.1 Ų83.142%0.42145%0.454SS..Hα-helixtrans-67.4-35.5176.5-77.6172.6166.200112.4M1 T2 R9M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CB-CB 4.28Å; T2-E5 PolarHBondContact N-OE2 3.11Å; T2-E5 PolarHBondContact O-N 2.75Å; T2-E5 VanDerWaalsContact O-N 3.07Å; T2-E5 VanDerWaalsContact OG1-CG 3.26Å; T2-E5 WeakPolarHBondContact OG1-CG 3.42Å; T2-E5 PolarHBondContact OG1-N 3.06Å; T2-E5 VanDerWaalsContact OG1-N 3.13Å; E5-R9 VanDerWaalsContact O-CG 3.3Å; E5-R9 WeakPolarHBondContact O-CG 3.25Å; E5-R9 PolarHBondContact O-N 3.05Å; E5-R9 VanDerWaalsContact O-N 3.14Å
6V59.4Low71.9Confident57 Ų5787.5 Ų87.535%0.34546%0.462SS..Hα-helixtrans-66.7-47.7175.3177.50000109.8M1 T2 A3 S4 I8 R9 D10M1-V6 HydrophobicContact CB-CG2 3.94Å; M1-V6 HydrophobicContact CE-CG2 4.25Å; T2-V6 PolarHBondContact O-N 3.29Å; T2-V6 VanDerWaalsContact O-N 3.14Å; A3-V6 PolarHBondContact O-N 2.93Å; S4-V6 VanDerWaalsContact C-N 3.34Å; V6-I8 PolarHBondContact O-N 3.22Å; V6-R9 PolarHBondContact O-N 2.79Å; V6-R9 VanDerWaalsContact O-N 3.12Å; V6-D10 PolarHBondContact O-N 3.28Å
7D70.9Confident73Confident113 Ų11389.7 Ų89.760%0.60447%0.467SS*.Hα-helixtrans-60.7-42.1179.2-163.215.3000112.2A3 S4 R9 D10 L11A3-D7 WeakPolarHBondContact O-CB 3.36Å; A3-D7 PolarHBondContact O-N 3.38Å; A3-D7 VanDerWaalsContact O-N 3.09Å; S4-D7 PolarHBondContact O-N 3.33Å; D7-R9 PolarHBondContact O-N 2.91Å; D7-D10 PolarHBondContact O-N 3.27Å; D7-L11 WeakPolarHBondContact O-CB 3.4Å; D7-L11 PolarHBondContact O-N 2.92Å
8I70.7Confident73.9Confident78 Ų7887.8 Ų87.840%0.446%0.46SS..Hα-helixtrans-62.8-41.5174.9-69.1165.6000111.6S4 V6 Q12S4-I8 WeakPolarHBondContact O-CB 3.38Å; S4-I8 WeakPolarHBondContact O-CD1 3.44Å; S4-I8 WeakPolarHBondContact O-CG1 3.31Å; S4-I8 PolarHBondContact O-N 3.24Å; V6-I8 PolarHBondContact O-N 3.22Å; I8-Q12 HydrophobicContact CG2-CG 4.47Å; I8-Q12 WeakPolarHBondContact O-CB 3.44Å; I8-Q12 VanDerWaalsContact O-CG 3.28Å; I8-Q12 WeakPolarHBondContact O-CG 3.36Å; I8-Q12 PolarHBondContact O-N 3.2Å
9R75.3Confident74.7Confident146 Ų14685.4 Ų85.455%0.55145%0.447SS*.Hα-helixtrans-67.5-42.8179.3-76.4177.4-174.5-161.94.5111.8M1 E5 V6 D7 Q12 S13M1-R9 PolarHBondContact SD-NH1 3.36Å; E5-R9 VanDerWaalsContact O-CG 3.3Å; E5-R9 WeakPolarHBondContact O-CG 3.25Å; E5-R9 PolarHBondContact O-N 3.05Å; E5-R9 VanDerWaalsContact O-N 3.14Å; V6-R9 PolarHBondContact O-N 2.79Å; V6-R9 VanDerWaalsContact O-N 3.12Å; D7-R9 PolarHBondContact O-N 2.91Å; R9-Q12 PolarHBondContact O-N 2.73Å; R9-S13 WeakPolarHBondContact O-CB 3.19Å; R9-S13 PolarHBondContact O-N 3.27Å
10D79.2Confident75.5Confident91 Ų9187.4 Ų87.449%0.48746%0.463SS..Hα-helixtrans-66.1-41.7177.8-72.5-20.7000110.7V6 D7 S13 N14V6-D10 PolarHBondContact O-N 3.28Å; D7-D10 PolarHBondContact O-N 3.27Å; D10-S13 PolarHBondContact O-N 3.13Å; D10-N14 WeakPolarHBondContact O-CB 3.35Å; D10-N14 VanDerWaalsContact O-CG 3.24Å; D10-N14 PolarHBondContact O-N 2.93Å; D10-N14 PolarHBondContact O-ND2 3.4Å
11L76.9Confident76.2Confident71 Ų7187.6 Ų87.637%0.37247%0.471SS..Hα-helixtrans-57.6-51.5171.8-178.565.5000111.2D7 S13 N14 V15D7-L11 WeakPolarHBondContact O-CB 3.4Å; D7-L11 PolarHBondContact O-N 2.92Å; L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 3.03Å; L11-N14 PolarHBondContact O-N 3.18Å; L11-V15 HydrophobicContact CD1-CG2 4.13Å; L11-V15 HydrophobicContact CG-CG2 4.3Å; L11-V15 WeakPolarHBondContact O-CB 3.34Å; L11-V15 WeakPolarHBondContact O-CG2 3.33Å; L11-V15 PolarHBondContact O-N 3.01Å
12Q83.4Confident78.1Confident67 Ų6782 Ų8231%0.31345%0.445SS..Hα-helixtrans-60.4-40.9178.4-76.1-179.8-13.900112.5I8 R9 R16 L35I8-Q12 HydrophobicContact CG2-CG 4.47Å; I8-Q12 WeakPolarHBondContact O-CB 3.44Å; I8-Q12 VanDerWaalsContact O-CG 3.28Å; I8-Q12 WeakPolarHBondContact O-CG 3.36Å; I8-Q12 PolarHBondContact O-N 3.2Å; R9-Q12 PolarHBondContact O-N 2.73Å; Q12-R16 VanDerWaalsContact O-CG 3.29Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 2.77Å; Q12-L35 HydrophobicContact CB-CD2 4.44Å; Q12-L35 HydrophobicContact CG-CD2 4.45Å
13S87Confident79.6Confident52 Ų5287.3 Ų87.336%0.36446%0.462SS..Hα-helixtrans-61.5-46.7176.3-177.20000111.5R9 D10 L11 R16 K17R9-S13 WeakPolarHBondContact O-CB 3.19Å; R9-S13 PolarHBondContact O-N 3.27Å; D10-S13 PolarHBondContact O-N 3.13Å; L11-S13 VanDerWaalsContact C-N 3.32Å; L11-S13 PolarHBondContact O-N 3.03Å; S13-R16 PolarHBondContact O-N 2.63Å; S13-K17 WeakPolarHBondContact O-CG 3.32Å; S13-K17 PolarHBondContact O-N 3.36Å; S13-K17 VanDerWaalsContact O-N 3.16Å
14N86.4Confident81.5Confident87 Ų8785.4 Ų85.447%0.46544%0.44SS..Hα-helixtrans-66-44.6178.1-70.2-24.4000111.7D10 L11 R16 K17 V18D10-N14 WeakPolarHBondContact O-CB 3.35Å; D10-N14 VanDerWaalsContact O-CG 3.24Å; D10-N14 PolarHBondContact O-N 2.93Å; D10-N14 PolarHBondContact O-ND2 3.4Å; L11-N14 PolarHBondContact O-N 3.18Å; N14-R16 VanDerWaalsContact C-N 3.3Å; N14-R16 PolarHBondContact O-N 3.01Å; N14-K17 WeakPolarHBondContact O-CB 3.49Å; N14-K17 PolarHBondContact O-N 3.15Å; N14-K17 VanDerWaalsContact O-N 3.13Å; N14-V18 WeakPolarHBondContact O-CG2 3.49Å; N14-V18 PolarHBondContact O-N 2.93Å
15V89Confident83Confident12 Ų1283.1 Ų83.17%0.07342%0.423CS..Hα-helixtrans-59.7-40.6176.4171.90000111.2L11 K17 V18 L19 C31 L34 L35L11-V15 HydrophobicContact CD1-CG2 4.13Å; L11-V15 HydrophobicContact CG-CG2 4.3Å; L11-V15 WeakPolarHBondContact O-CB 3.34Å; L11-V15 WeakPolarHBondContact O-CG2 3.33Å; L11-V15 PolarHBondContact O-N 3.01Å; V15-K17 PolarHBondContact O-N 2.94Å; V15-V18 PolarHBondContact O-N 3.24Å; V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 3.43Å; V15-C31 HydrophobicContact CG1-CB 3.66Å; V15-C31 WeakPolarHBondContact CG1-O 3.49Å; V15-L34 HydrophobicContact CG1-CB 4.22Å; V15-L34 HydrophobicContact CG2-CB 4.22Å; V15-L34 HydrophobicContact CG2-CD1 4Å; V15-L35 HydrophobicContact CB-CD2 4.34Å; V15-L35 HydrophobicContact CG1-CD1 4.23Å; V15-L35 HydrophobicContact CG1-CD2 3.96Å; V15-L35 HydrophobicContact CG1-CG 3.69Å
16R90.6Very high84.5Confident153 Ų15379.4 Ų79.458%0.57741%0.406SS*.Hα-helixtrans-62.2-42.7174.9-74.4177.2-171.1-176.83.5112.3Q12 S13 N14 V18 L19 T20 L35Q12-R16 VanDerWaalsContact O-CG 3.29Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 2.77Å; S13-R16 PolarHBondContact O-N 2.63Å; N14-R16 VanDerWaalsContact C-N 3.3Å; N14-R16 PolarHBondContact O-N 3.01Å; R16-V18 VanDerWaalsContact C-N 3.34Å; R16-V18 PolarHBondContact O-N 2.61Å; R16-L19 PolarHBondContact O-N 3.04Å; R16-T20 WeakPolarHBondContact O-CG2 3.41Å; R16-T20 PolarHBondContact O-N 3.41Å; R16-T20 PolarHBondContact O-OG1 3.24Å; R16-L35 HydrophobicContact CG-CD1 4.36Å; R16-L35 HydrophobicContact CG-CD2 3.88Å
17K90.6Very high86.1Confident125 Ų12579.1 Ų79.154%0.54340%0.401SS..Hα-helixtrans-62.7-41.2176.7-68.2172.3-173.8171.80111.9S13 N14 V15 T20 S21S13-K17 WeakPolarHBondContact O-CG 3.32Å; S13-K17 PolarHBondContact O-N 3.36Å; S13-K17 VanDerWaalsContact O-N 3.16Å; N14-K17 WeakPolarHBondContact O-CB 3.49Å; N14-K17 PolarHBondContact O-N 3.15Å; N14-K17 VanDerWaalsContact O-N 3.13Å; V15-K17 PolarHBondContact O-N 2.94Å; K17-T20 PolarHBondContact O-N 3.37Å; K17-T20 PolarHBondContact O-OG1 3.47Å; K17-S21 PolarHBondContact O-N 3.37Å; K17-S21 PolarHBondContact O-OG 2.95Å
18V89.2Confident87.1Confident56 Ų5675.8 Ų75.834%0.33938%0.381SS..Hα-helixtrans-64.5-47.2175.7175.70000110.1N14 V15 R16 T20 S21 T22 E27N14-V18 WeakPolarHBondContact O-CG2 3.49Å; N14-V18 PolarHBondContact O-N 2.93Å; V15-V18 PolarHBondContact O-N 3.24Å; R16-V18 VanDerWaalsContact C-N 3.34Å; R16-V18 PolarHBondContact O-N 2.61Å; V18-T20 VanDerWaalsContact C-N 3.25Å; V18-T20 PolarHBondContact O-N 2.95Å; V18-S21 PolarHBondContact O-N 3.34Å; V18-S21 PolarHBondContact O-OG 3.4Å; V18-S21 VanDerWaalsContact O-OG 3.12Å; V18-T22 WeakPolarHBondContact O-CB 3.33Å; V18-T22 WeakPolarHBondContact O-CG2 3.46Å; V18-T22 PolarHBondContact O-N 3.29Å; V18-E27 HydrophobicContact CG1-CG 3.73Å
19L89.5Confident88.2Confident42 Ų4272.1 Ų72.122%0.2236%0.362CS..Hα-helixtrans-58-36.7179-177.460.6000112.6V15 R16 K28 C31 Q32 L35V15-L19 WeakPolarHBondContact O-CB 3.42Å; V15-L19 PolarHBondContact O-N 3.43Å; R16-L19 PolarHBondContact O-N 3.04Å; L19-K28 HydrophobicContact CD1-CB 4.12Å; L19-K28 HydrophobicContact CD1-CG 4.21Å; L19-C31 HydrophobicContact CB-CB 3.97Å; L19-C31 HydrophobicContact CD1-CB 3.98Å; L19-C31 HydrophobicContact CG-CB 4.4Å; L19-Q32 HydrophobicContact CD1-CG 4.46Å; L19-L35 HydrophobicContact CD2-CD1 3.8Å
20T89.2Confident89Confident125 Ų12566.4 Ų66.477%0.76734%0.341SS*.Hα-helixtrans-74.5-21.8177.252.80000114.5R16 K17 V18R16-T20 WeakPolarHBondContact O-CG2 3.41Å; R16-T20 PolarHBondContact O-N 3.41Å; R16-T20 PolarHBondContact O-OG1 3.24Å; K17-T20 PolarHBondContact O-N 3.37Å; K17-T20 PolarHBondContact O-OG1 3.47Å; V18-T20 VanDerWaalsContact C-N 3.25Å; V18-T20 PolarHBondContact O-N 2.95Å
21S91.1Very high89.6Confident91 Ų9162.2 Ų62.264%0.63632%0.319SS*.Hα-helixtrans-105.2-24.7-174.653.60000113.5K17 V18K17-S21 PolarHBondContact O-N 3.37Å; K17-S21 PolarHBondContact O-OG 2.95Å; V18-S21 PolarHBondContact O-N 3.34Å; V18-S21 PolarHBondContact O-OG 3.4Å; V18-S21 VanDerWaalsContact O-OG 3.12Å
22T90.3Very high90.4Very high31 Ų3160.2 Ų60.219%0.1931%0.308CS..  trans-76.6138.4-176.3-169.30000112.9V18 D24 E27 K28V18-T22 WeakPolarHBondContact O-CB 3.33Å; V18-T22 WeakPolarHBondContact O-CG2 3.46Å; V18-T22 PolarHBondContact O-N 3.29Å; T22-D24 PolarHBondContact OG1-N 2.83Å; T22-E27 HydrophobicContact CG2-CB 3.94Å; T22-E27 HydrophobicContact CG2-CG 3.85Å; T22-E27 WeakPolarHBondContact OG1-CB 3.45Å; T22-K28 HydrophobicContact CG2-CG 3.82Å
23K89.7Confident90.8Very high185 Ų18557 Ų5780%0.80429%0.293SS*.  trans-101.7-11.2170.1-64.2-176.7-179.4-179.70112.5P25K23-P25 VanDerWaalsContact O-CD 3.31Å; K23-P25 WeakPolarHBondContact O-CD 3.42Å
24D92.1Very high90.9Very high50 Ų5055.5 Ų55.527%0.26728%0.28SS..  trans-74.8118-178.5-175.9-5.7000110T22 L26 E27 K28 R86T22-D24 PolarHBondContact OG1-N 2.83Å; D24-L26 PolarHBondContact O-N 3.04Å; D24-L26 WeakPolarHBondContact OD1-CB 3.42Å; D24-L26 PolarHBondContact OD1-N 3.5Å; D24-E27 HydrophobicContact CB-CB 4Å; D24-E27 PolarHBondContact O-N 2.82Å; D24-E27 VanDerWaalsContact O-N 3.07Å; D24-K28 PolarHBondContact O-N 2.71Å; D24-R86 IonicContact OD1-NH1 2.84Å; D24-R86 PolarHBondContact OD1-NH1 2.91Å; D24-R86 IonicContact OD2-CZ 2.68Å; D24-R86 IonicContact OD2-NH1 2.6Å; D24-R86 PolarHBondContact OD2-NH1 2.69Å; D24-R86 IonicContact OD2-NH2 3.91Å
25P92.4Very high91.1Very high23 Ų2353.4 Ų53.415%0.14927%0.269CS..Hα-helixtrans-52.5-35175.5-28.537.3000113.7K23 K28 L29 L75 E79 L83K23-P25 VanDerWaalsContact O-CD 3.31Å; K23-P25 WeakPolarHBondContact O-CD 3.42Å; P25-K28 PolarHBondContact O-N 2.68Å; P25-L29 PolarHBondContact O-N 3.39Å; P25-L75 HydrophobicContact CB-CD1 4.05Å; P25-L75 HydrophobicContact CB-CD2 3.83Å; P25-L75 HydrophobicContact CG-CD2 4.31Å; P25-E79 HydrophobicContact CG-CB 4.13Å; P25-E79 HydrophobicContact CG-CG 4.29Å; P25-L83 HydrophobicContact CB-CB 4.21Å; P25-L83 HydrophobicContact CB-CD1 4.49Å; P25-L83 HydrophobicContact CB-CD2 4.14Å
26L92.8Very high91.1Very high12 Ų1257.5 Ų57.56%0.06328%0.283CS..Hα-helixtrans-67.4-42178.8-177.667000111.5D24 L29 R30 L83 V87 A103 L104D24-L26 PolarHBondContact O-N 3.04Å; D24-L26 WeakPolarHBondContact OD1-CB 3.42Å; D24-L26 PolarHBondContact OD1-N 3.5Å; L26-L29 PolarHBondContact O-N 2.98Å; L26-R30 WeakPolarHBondContact O-CB 3.4Å; L26-R30 PolarHBondContact O-N 3.3Å; L26-L83 HydrophobicContact CB-CD1 3.68Å; L26-L83 HydrophobicContact CD1-CD1 3.69Å; L26-L83 HydrophobicContact CG-CD1 4.3Å; L26-V87 HydrophobicContact CD1-CG2 4.07Å; L26-A103 HydrophobicContact CD1-CB 4.06Å; L26-L104 HydrophobicContact CD1-CD2 3.65Å
27E91.6Very high90.7Very high52 Ų5252.1 Ų52.124%0.24328%0.275CS..Hα-helixtrans-68.5-37.2177.8-168.263.2-123.900111.3V18 T22 D24 R30 C31V18-E27 HydrophobicContact CG1-CG 3.73Å; T22-E27 HydrophobicContact CG2-CB 3.94Å; T22-E27 HydrophobicContact CG2-CG 3.85Å; T22-E27 WeakPolarHBondContact OG1-CB 3.45Å; D24-E27 HydrophobicContact CB-CB 4Å; D24-E27 PolarHBondContact O-N 2.82Å; D24-E27 VanDerWaalsContact O-N 3.07Å; E27-R30 VanDerWaalsContact CD-NH1 3.25Å; E27-R30 PolarHBondContact O-N 2.84Å; E27-R30 IonicContact OE1-NH1 3.71Å; E27-R30 PolarHBondContact OE1-NH1 3.33Å; E27-R30 IonicContact OE2-CZ 3.68Å; E27-R30 IonicContact OE2-NH1 3.76Å; E27-R30 PolarHBondContact OE2-NH1 2.99Å; E27-C31 WeakPolarHBondContact O-CB 3.28Å; E27-C31 PolarHBondContact O-N 2.84Å; E27-C31 PolarHBondContact O-SG 3.45Å
28K92.6Very high90.4Very high43 Ų4346.1 Ų46.119%0.18725%0.249CC..Hα-helixtrans-59.1-50.2172.7-68.3177.7-179.6171.30110.9L19 T22 D24 P25 C31 Q32 L75L19-K28 HydrophobicContact CD1-CB 4.12Å; L19-K28 HydrophobicContact CD1-CG 4.21Å; T22-K28 HydrophobicContact CG2-CG 3.82Å; D24-K28 PolarHBondContact O-N 2.71Å; P25-K28 PolarHBondContact O-N 2.68Å; K28-C31 PolarHBondContact O-N 3.09Å; K28-Q32 VanDerWaalsContact O-CG 3.31Å; K28-Q32 WeakPolarHBondContact O-CG 3.38Å; K28-Q32 PolarHBondContact O-N 3.4Å; K28-L75 HydrophobicContact CD-CD2 3.79Å
29L93.2Very high90Very high0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-62.3-45.2178.7-179.558000111.7P25 L26 C31 Q32 C33 M51 F64 F71 C73 L83 L104P25-L29 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 2.98Å; L29-C31 PolarHBondContact O-N 3.41Å; L29-Q32 PolarHBondContact O-N 3.2Å; L29-C33 PolarHBondContact O-N 2.64Å; L29-C33 PolarHBondContact O-SG 2.68Å; L29-C33 VanDerWaalsContact O-SG 3.39Å; L29-M51 HydrophobicContact CD1-CE 4.19Å; L29-F64 HydrophobicContact CD2-CE2 3.79Å; L29-F64 HydrophobicContact CD2-CZ 3.56Å; L29-F71 HydrophobicContact CD1-CD2 4.27Å; L29-C73 VanDerWaalsContact CD1-SG 3.59Å; L29-L83 HydrophobicContact CB-CD2 4.23Å; L29-L83 HydrophobicContact CD2-CD2 3.88Å; L29-L104 HydrophobicContact CB-CD2 4.06Å; L29-L104 HydrophobicContact CD2-CD1 3.92Å; L29-L104 HydrophobicContact CD2-CD2 3.86Å; L29-L104 HydrophobicContact CD2-CG 4.49Å; L29-L104 HydrophobicContact CG-CD1 4.01Å; L29-L104 HydrophobicContact CG-CD2 3.74Å
30R92.6Very high89.6Confident27 Ų2746.5 Ų46.510%0.10226%0.256CS..Hα-helixtrans-54.5-51.5174.4174.2176.8-52.4105.92111.5L26 E27 Q32 C33 L34 A103 L104 R105L26-R30 WeakPolarHBondContact O-CB 3.4Å; L26-R30 PolarHBondContact O-N 3.3Å; E27-R30 VanDerWaalsContact CD-NH1 3.25Å; E27-R30 PolarHBondContact O-N 2.84Å; E27-R30 IonicContact OE1-NH1 3.71Å; E27-R30 PolarHBondContact OE1-NH1 3.33Å; E27-R30 IonicContact OE2-CZ 3.68Å; E27-R30 IonicContact OE2-NH1 3.76Å; E27-R30 PolarHBondContact OE2-NH1 2.99Å; R30-Q32 VanDerWaalsContact C-N 3.31Å; R30-Q32 PolarHBondContact O-N 2.87Å; R30-C33 WeakPolarHBondContact O-CB 3.4Å; R30-C33 PolarHBondContact O-N 2.86Å; R30-L34 HydrophobicContact CG-CD1 3.9Å; R30-L34 WeakPolarHBondContact O-CG 3.47Å; R30-L34 PolarHBondContact O-N 2.94Å; R30-A103 PolarHBondContact NH2-O 2.93Å; R30-L104 HydrophobicContact CB-CD2 4.23Å; R30-L104 VanDerWaalsContact CG-O 3.25Å; R30-L104 WeakPolarHBondContact CG-O 3.42Å; R30-L104 PolarHBondContact NE-O 2.86Å; R30-R105 PolarHBondContact NE-O 3.34Å
31C92.2Very high89.3Confident2 Ų244.4 Ų44.41%0.01424%0.239CC..Hα-helixtrans-59.7-41.3178.7-73.70000111.8V15 L19 E27 K28 L29 L34 L35V15-C31 HydrophobicContact CG1-CB 3.66Å; V15-C31 WeakPolarHBondContact CG1-O 3.49Å; L19-C31 HydrophobicContact CB-CB 3.97Å; L19-C31 HydrophobicContact CD1-CB 3.98Å; L19-C31 HydrophobicContact CG-CB 4.4Å; E27-C31 WeakPolarHBondContact O-CB 3.28Å; E27-C31 PolarHBondContact O-N 2.84Å; E27-C31 PolarHBondContact O-SG 3.45Å; K28-C31 PolarHBondContact O-N 3.09Å; L29-C31 PolarHBondContact O-N 3.41Å; C31-L34 PolarHBondContact O-N 3Å; C31-L35 WeakPolarHBondContact O-CB 3.48Å; C31-L35 VanDerWaalsContact O-CG 3.29Å; C31-L35 WeakPolarHBondContact O-CG 3.22Å; C31-L35 PolarHBondContact O-N 2.65Å
32Q92.8Very high89.1Confident30 Ų3048.4 Ų48.414%0.1424%0.241CC..Hα-helixtrans-66.7-36178.1-73.1-70.19.100113.1L19 K28 L29 R30 R36 F71 G72L19-Q32 HydrophobicContact CD1-CG 4.46Å; K28-Q32 VanDerWaalsContact O-CG 3.31Å; K28-Q32 WeakPolarHBondContact O-CG 3.38Å; K28-Q32 PolarHBondContact O-N 3.4Å; L29-Q32 PolarHBondContact O-N 3.2Å; R30-Q32 VanDerWaalsContact C-N 3.31Å; R30-Q32 PolarHBondContact O-N 2.87Å; Q32-R36 WeakPolarHBondContact O-CG 3.28Å; Q32-R36 PolarHBondContact O-N 2.85Å; Q32-R36 PolarHBondContact O-NH1 2.93Å; Q32-R36 VanDerWaalsContact O-NH1 3.08Å; Q32-F71 HydrophobicContact CB-CB 4.32Å; Q32-F71 WeakPolarHBondContact CG-O 3.49Å; Q32-F71 PolarHBondContact OE1-O 2.84Å; Q32-F71 VanDerWaalsContact OE1-O 3.09Å; Q32-G72 PolarHBondContact NE2-O 2.82Å
33C92Very high89Confident0 Ų047.2 Ų47.20%024%0.235CC..Hα-helixtrans-63.7-48.2170.9-70.30000111.1L29 R30 L35 R36 G37 A38 F44L29-C33 PolarHBondContact O-N 2.64Å; L29-C33 PolarHBondContact O-SG 2.68Å; L29-C33 VanDerWaalsContact O-SG 3.39Å; R30-C33 WeakPolarHBondContact O-CB 3.4Å; R30-C33 PolarHBondContact O-N 2.86Å; C33-L35 PolarHBondContact O-N 2.89Å; C33-R36 CarbonylContact O-C 3.58Å; C33-R36 WeakPolarHBondContact O-CA 3.26Å; C33-R36 WeakPolarHBondContact O-CB 3.29Å; C33-R36 PolarHBondContact O-N 2.74Å; C33-R36 VanDerWaalsContact O-N 3.09Å; C33-G37 PolarHBondContact O-N 3.43Å; C33-A38 VanDerWaalsContact C-CB 3.49Å; C33-A38 HydrophobicContact CB-CB 3.87Å; C33-A38 WeakPolarHBondContact O-CB 3.16Å; C33-A38 PolarHBondContact O-N 3.03Å; C33-F44 HydrophobicContact CB-CD1 4.35Å; C33-F44 HydrophobicContact CB-CE1 3.74Å
34L89.3Confident89.1Confident20 Ų2038.5 Ų38.511%0.10520%0.197CC..Hα-helixtrans-62.1-42-179.8-69166.3000112.1V15 R30 C31 R36 G37 A38 F44 P106V15-L34 HydrophobicContact CG1-CB 4.22Å; V15-L34 HydrophobicContact CG2-CB 4.22Å; V15-L34 HydrophobicContact CG2-CD1 4Å; R30-L34 HydrophobicContact CG-CD1 3.9Å; R30-L34 WeakPolarHBondContact O-CG 3.47Å; R30-L34 PolarHBondContact O-N 2.94Å; C31-L34 PolarHBondContact O-N 3Å; L34-R36 PolarHBondContact O-N 2.68Å; L34-G37 WeakPolarHBondContact O-CA 3.3Å; L34-G37 PolarHBondContact O-N 3.49Å; L34-A38 WeakPolarHBondContact CD2-O 3.28Å; L34-F44 HydrophobicContact CD2-CZ 4.28Å; L34-P106 HydrophobicContact CD1-CG 4.25Å; L34-P106 HydrophobicContact CD2-CG 3.85Å
35L89.4Confident89.2Confident43 Ų4336.4 Ų36.423%0.22519%0.187CC..Hα-helixtrans-63.2-26.9175.8-71.4172000113Q12 V15 R16 L19 C31 C33 G37Q12-L35 HydrophobicContact CB-CD2 4.44Å; Q12-L35 HydrophobicContact CG-CD2 4.45Å; V15-L35 HydrophobicContact CB-CD2 4.34Å; V15-L35 HydrophobicContact CG1-CD1 4.23Å; V15-L35 HydrophobicContact CG1-CD2 3.96Å; V15-L35 HydrophobicContact CG1-CG 3.69Å; R16-L35 HydrophobicContact CG-CD1 4.36Å; R16-L35 HydrophobicContact CG-CD2 3.88Å; L19-L35 HydrophobicContact CD2-CD1 3.8Å; C31-L35 WeakPolarHBondContact O-CB 3.48Å; C31-L35 VanDerWaalsContact O-CG 3.29Å; C31-L35 WeakPolarHBondContact O-CG 3.22Å; C31-L35 PolarHBondContact O-N 2.65Å; C33-L35 PolarHBondContact O-N 2.89Å; L35-G37 PolarHBondContact O-N 2.9Å
36R89.1Confident89.2Confident98 Ų9840.7 Ų40.737%0.3720%0.204SC..THydrogen-bonded Turntrans-82.46.8172.2-72.4175.217567.56.4113.5Q32 C33 L34 D70 F71Q32-R36 WeakPolarHBondContact O-CG 3.28Å; Q32-R36 PolarHBondContact O-N 2.85Å; Q32-R36 PolarHBondContact O-NH1 2.93Å; Q32-R36 VanDerWaalsContact O-NH1 3.08Å; C33-R36 CarbonylContact O-C 3.58Å; C33-R36 WeakPolarHBondContact O-CA 3.26Å; C33-R36 WeakPolarHBondContact O-CB 3.29Å; C33-R36 PolarHBondContact O-N 2.74Å; C33-R36 VanDerWaalsContact O-N 3.09Å; L34-R36 PolarHBondContact O-N 2.68Å; R36-D70 PolarHBondContact NH2-O 3.28Å; R36-F71 PolarHBondContact NH1-O 3.21Å; R36-F71 PolarHBondContact NH2-O 2.72Å
37G84Confident89.2Confident39 Ų3940.8 Ų40.840%0.40220%0.203SC..THydrogen-bonded Turntrans80.924.3179.100000113.7C33 L34 L35 N39C33-G37 PolarHBondContact O-N 3.43Å; L34-G37 WeakPolarHBondContact O-CA 3.3Å; L34-G37 PolarHBondContact O-N 3.49Å; L35-G37 PolarHBondContact O-N 2.9Å; G37-N39 PolarHBondContact O-N 3.17Å
38A83.3Confident89.4Confident0 Ų038.6 Ų38.60%019%0.193CC..  trans-70.477.4171.700000110.8C33 L34 F44 Q47C33-A38 VanDerWaalsContact C-CB 3.49Å; C33-A38 HydrophobicContact CB-CB 3.87Å; C33-A38 WeakPolarHBondContact O-CB 3.16Å; C33-A38 PolarHBondContact O-N 3.03Å; L34-A38 WeakPolarHBondContact CD2-O 3.28Å; A38-F44 HydrophobicContact CB-CD1 4.05Å; A38-F44 HydrophobicContact CB-CD2 4.31Å; A38-F44 HydrophobicContact CB-CE1 4.03Å; A38-F44 HydrophobicContact CB-CE2 4.29Å; A38-F44 HydrophobicContact CB-CG 4.18Å; A38-F44 HydrophobicContact CB-CZ 4.15Å; A38-F44 VanDerWaalsContact O-CE2 3.3Å; A38-F44 WeakPolarHBondContact O-CE2 3.47Å; A38-Q47 HydrophobicContact CB-CG 3.79Å
39N80.6Confident89.6Confident78 Ų7843.2 Ų43.242%0.41721%0.21SC..  trans-101.3126.8174.4-63.9-30.8000109.5G37 G43G37-N39 PolarHBondContact O-N 3.17Å; N39-G43 PolarHBondContact O-N 3.49Å
40G80.9Confident89.7Confident28 Ų2847.3 Ų47.329%0.28923%0.234SC..Hα-helixtrans59.5-173-178.900000114.5Y42 G43 F44 A190G40-Y42 VanDerWaalsContact C-N 3.28Å; G40-Y42 PolarHBondContact O-N 3.14Å; G40-G43 PolarHBondContact O-N 3.08Å; G40-F44 WeakPolarHBondContact O-CD2 3.45Å; G40-F44 PolarHBondContact O-N 3.29Å; G40-A190 WeakPolarHBondContact CA-O 3.29Å
41I83.9Confident89.8Confident81 Ų8146.2 Ų46.242%0.41523%0.231SC..Hα-helixtrans-58.4-37.8-175.4-169166.9000113G45 F97 L101 A190I41-G45 PolarHBondContact O-N 2.85Å; I41-F97 HydrophobicContact CD1-CE1 4.28Å; I41-F97 HydrophobicContact CG1-CE1 3.89Å; I41-F97 HydrophobicContact CG1-CZ 3.98Å; I41-L101 HydrophobicContact CD1-CD2 4.12Å; I41-L101 HydrophobicContact CG1-CD2 3.94Å; I41-A190 PolarHBondContact N-O 2.93Å
42Y86.9Confident90Very high175 Ų17547 Ų4769%0.68623%0.234SC*.Hα-helixtrans-66.1-45-179.8178.8-96.7000112G40 G45 K46G40-Y42 VanDerWaalsContact C-N 3.28Å; G40-Y42 PolarHBondContact O-N 3.14Å; Y42-G45 PolarHBondContact O-N 2.75Å; Y42-K46 PolarHBondContact O-N 2.99Å
43G88.6Confident90.1Very high5 Ų550 Ų505%0.05225%0.251CS..Hα-helixtrans-63.5-46.718000000112N39 G40 K46 Q47N39-G43 PolarHBondContact O-N 3.49Å; G40-G43 PolarHBondContact O-N 3.08Å; G43-K46 WeakPolarHBondContact O-CB 2.81Å; G43-K46 PolarHBondContact O-N 3.18Å; G43-Q47 WeakPolarHBondContact O-CG 2.96Å; G43-Q47 PolarHBondContact O-N 3.46Å; G43-Q47 VanDerWaalsContact O-N 3.17Å
44F90.9Very high90.3Very high2 Ų255.4 Ų55.41%0.00928%0.281CS..Hα-helixtrans-65.6-39.9175-78.7-75.7000112.3C33 L34 A38 G40 K46 Q47 F48 F97 F100 L101 L104C33-F44 HydrophobicContact CB-CD1 4.35Å; C33-F44 HydrophobicContact CB-CE1 3.74Å; L34-F44 HydrophobicContact CD2-CZ 4.28Å; A38-F44 HydrophobicContact CB-CD1 4.05Å; A38-F44 HydrophobicContact CB-CD2 4.31Å; A38-F44 HydrophobicContact CB-CE1 4.03Å; A38-F44 HydrophobicContact CB-CE2 4.29Å; A38-F44 HydrophobicContact CB-CG 4.18Å; A38-F44 HydrophobicContact CB-CZ 4.15Å; A38-F44 VanDerWaalsContact O-CE2 3.3Å; A38-F44 WeakPolarHBondContact O-CE2 3.47Å; G40-F44 WeakPolarHBondContact O-CD2 3.45Å; G40-F44 PolarHBondContact O-N 3.29Å; F44-K46 VanDerWaalsContact C-N 3.25Å; F44-K46 PolarHBondContact O-N 2.92Å; F44-Q47 PolarHBondContact O-N 2.92Å; F44-Q47 VanDerWaalsContact O-N 3.11Å; F44-F48 PolarHBondContact O-N 2.8Å; F44-F97 HydrophobicContact CB-CE2 4.33Å; F44-F100 HydrophobicContact CD1-CE1 4.12Å; F44-L101 HydrophobicContact CB-CD1 3.62Å; F44-L101 HydrophobicContact CD2-CD1 3.93Å; F44-L101 HydrophobicContact CG-CD1 3.88Å; F44-L104 HydrophobicContact CD1-CB 4.1Å; F44-L104 HydrophobicContact CE1-CB 3.66Å; F44-L104 HydrophobicContact CZ-CB 4.49Å; F44-L104 WeakPolarHBondContact CZ-O 3.47Å
45G93.3Very high90.6Very high6 Ų656.8 Ų56.86%0.06230%0.3CS..Hα-helixtrans-60.7-35.4174.800000112.7I41 Y42 R49I41-G45 PolarHBondContact O-N 2.85Å; Y42-G45 PolarHBondContact O-N 2.75Å; G45-R49 VanDerWaalsContact C-NH1 3.32Å; G45-R49 WeakPolarHBondContact O-CG 3.01Å; G45-R49 PolarHBondContact O-N 2.86Å; G45-R49 VanDerWaalsContact O-N 3.13Å; G45-R49 PolarHBondContact O-NH1 2.97Å; G45-R49 VanDerWaalsContact O-NH1 3.11Å
46K93.4Very high90.9Very high114 Ų11457.4 Ų57.450%0.49631%0.308SS..Hα-helixtrans-64.8-44.9172.7-174.4-176.4176.7-174.90111.7Y42 G43 F44 R49 V50Y42-K46 PolarHBondContact O-N 2.99Å; G43-K46 WeakPolarHBondContact O-CB 2.81Å; G43-K46 PolarHBondContact O-N 3.18Å; F44-K46 VanDerWaalsContact C-N 3.25Å; F44-K46 PolarHBondContact O-N 2.92Å; K46-R49 PolarHBondContact O-N 3Å; K46-V50 WeakPolarHBondContact O-CG2 2.95Å; K46-V50 PolarHBondContact O-N 3.23Å
47Q93.6Very high91.2Very high13 Ų1360.7 Ų60.76%0.06132%0.324CS..Hα-helixtrans-64.8-41.9178.3-59.8-46-3800112A38 G43 F44 R49 V50 M51 F71A38-Q47 HydrophobicContact CB-CG 3.79Å; G43-Q47 WeakPolarHBondContact O-CG 2.96Å; G43-Q47 PolarHBondContact O-N 3.46Å; G43-Q47 VanDerWaalsContact O-N 3.17Å; F44-Q47 PolarHBondContact O-N 2.92Å; F44-Q47 VanDerWaalsContact O-N 3.11Å; Q47-R49 PolarHBondContact O-N 3.17Å; Q47-V50 WeakPolarHBondContact O-CB 3.31Å; Q47-V50 PolarHBondContact O-N 3.01Å; Q47-V50 VanDerWaalsContact O-N 3.09Å; Q47-M51 PolarHBondContact O-N 2.83Å; Q47-F71 HydrophobicContact CB-CE2 3.84Å; Q47-F71 HydrophobicContact CB-CZ 3.8Å; Q47-F71 HydrophobicContact CG-CE2 4.04Å; Q47-F71 HydrophobicContact CG-CZ 4.17Å
48F96Very high91.9Very high7 Ų760 Ų603%0.03131%0.313CS..Hα-helixtrans-56.9-50.2176.4-175.5-86.9000111.5F44 V50 M51 D52 L59 I95 F97 F100F44-F48 PolarHBondContact O-N 2.8Å; F48-V50 PolarHBondContact O-N 3.21Å; F48-M51 PolarHBondContact O-N 2.92Å; F48-D52 HydrophobicContact CE1-CB 4.41Å; F48-D52 WeakPolarHBondContact O-CB 3.47Å; F48-D52 PolarHBondContact O-N 3Å; F48-L59 HydrophobicContact CD2-CD1 3.84Å; F48-L59 HydrophobicContact CD2-CG 4.05Å; F48-L59 HydrophobicContact CE2-CD1 3.8Å; F48-L59 HydrophobicContact CE2-CD2 4.33Å; F48-L59 HydrophobicContact CE2-CG 3.59Å; F48-L59 HydrophobicContact CZ-CD2 4.32Å; F48-L59 HydrophobicContact CZ-CG 3.89Å; F48-I95 WeakPolarHBondContact CE2-O 3.22Å; F48-F97 HydrophobicContact CB-CD2 3.76Å; F48-F97 HydrophobicContact CB-CE2 4.14Å; F48-F97 HydrophobicContact CD1-CB 4.38Å; F48-F97 HydrophobicContact CD1-CD2 4.25Å; F48-F97 HydrophobicContact CD2-CB 4.35Å; F48-F97 AromaticContact CD2-CD2 3.91Å; F48-F97 HydrophobicContact CD2-CD2 3.91Å; F48-F97 HydrophobicContact CE1-CB 4.26Å; F48-F97 HydrophobicContact CE2-CB 4.19Å; F48-F97 HydrophobicContact CG-CB 4.42Å; F48-F97 AromaticContact CG-CD2 3.71Å; F48-F97 HydrophobicContact CG-CD2 3.71Å; F48-F97 HydrophobicContact CZ-CB 4.15Å; F48-F100 HydrophobicContact CB-CD1 4.21Å; F48-F100 HydrophobicContact CB-CE1 4.18Å; F48-F100 HydrophobicContact CD2-CB 3.72Å; F48-F100 AromaticContact CD2-CD1 3.93Å; F48-F100 HydrophobicContact CD2-CD1 3.93Å; F48-F100 HydrophobicContact CD2-CD2 4.02Å; F48-F100 AromaticContact CD2-CG 3.65Å; F48-F100 HydrophobicContact CD2-CG 3.65Å; F48-F100 HydrophobicContact CE2-CB 3.98Å; F48-F100 HydrophobicContact CE2-CG 4.33Å
49R95.7Very high92.5Very high140 Ų14060 Ų6053%0.52831%0.313SS..Hα-helixtrans-64.1-19.9177-71.4-171.4-55.7-85.92.1114.6G45 K46 Q47G45-R49 VanDerWaalsContact C-NH1 3.32Å; G45-R49 WeakPolarHBondContact O-CG 3.01Å; G45-R49 PolarHBondContact O-N 2.86Å; G45-R49 VanDerWaalsContact O-N 3.13Å; G45-R49 PolarHBondContact O-NH1 2.97Å; G45-R49 VanDerWaalsContact O-NH1 3.11Å; K46-R49 PolarHBondContact O-N 3Å; Q47-R49 PolarHBondContact O-N 3.17Å
50V94.5Very high93.3Very high86 Ų8657.7 Ų57.752%0.52130%0.304SS..Hα-helixtrans-79.8-28.4174.2168.10000110.8K46 Q47 F48 F71K46-V50 WeakPolarHBondContact O-CG2 2.95Å; K46-V50 PolarHBondContact O-N 3.23Å; Q47-V50 WeakPolarHBondContact O-CB 3.31Å; Q47-V50 PolarHBondContact O-N 3.01Å; Q47-V50 VanDerWaalsContact O-N 3.09Å; F48-V50 PolarHBondContact O-N 3.21Å; V50-F71 HydrophobicContact CG1-CE1 4.31Å
51M95.4Very high94.1Very high4 Ų459.7 Ų59.72%0.0230%0.304CS..Hα-helixtrans-83.3-32175.6-62.2-171.4177.600112.8L29 Q47 F48 D53 L59 E63 F71 F100L29-M51 HydrophobicContact CD1-CE 4.19Å; Q47-M51 PolarHBondContact O-N 2.83Å; F48-M51 PolarHBondContact O-N 2.92Å; M51-D53 PolarHBondContact O-N 2.92Å; M51-L59 HydrophobicContact CB-CD1 3.97Å; M51-L59 HydrophobicContact CB-CD2 3.61Å; M51-L59 HydrophobicContact CB-CG 4.46Å; M51-L59 HydrophobicContact SD-CD1 4Å; M51-E63 WeakPolarHBondContact O-CB 3.22Å; M51-F71 HydrophobicContact CE-CD1 4.02Å; M51-F71 HydrophobicContact CE-CD2 3.43Å; M51-F71 VanDerWaalsContact CE-CD2 3.43Å; M51-F71 HydrophobicContact CE-CE1 3.89Å; M51-F71 HydrophobicContact CE-CE2 3.29Å; M51-F71 HydrophobicContact CE-CG 3.81Å; M51-F71 HydrophobicContact CE-CZ 3.51Å; M51-F71 HydrophobicContact CG-CE1 4.48Å; M51-F71 HydrophobicContact CG-CZ 4.35Å; M51-F100 HydrophobicContact CE-CE2 4.43Å; M51-F100 HydrophobicContact CE-CZ 4.45Å; M51-F100 HydrophobicContact SD-CE2 3.93Å; M51-F100 HydrophobicContact SD-CZ 4.31Å
52D97Very high94.6Very high17 Ų1762.4 Ų62.49%0.09132%0.315CS..  trans-74.483.7177.6-178.211.2000109.6F48 D54 G55 S56 K57 L59F48-D52 HydrophobicContact CE1-CB 4.41Å; F48-D52 WeakPolarHBondContact O-CB 3.47Å; F48-D52 PolarHBondContact O-N 3Å; D52-D54 VanDerWaalsContact OD1-OD1 3.14Å; D52-G55 VanDerWaalsContact OD1-CA 3.23Å; D52-G55 WeakPolarHBondContact OD1-CA 3.35Å; D52-G55 PolarHBondContact OD1-N 3.48Å; D52-S56 PolarHBondContact OD1-N 3.22Å; D52-S56 PolarHBondContact OD1-OG 2.9Å; D52-K57 WeakPolarHBondContact OD2-CA 3.48Å; D52-K57 PolarHBondContact OD2-N 2.98Å; D52-L59 HydrophobicContact CB-CD2 3.7Å; D52-L59 VanDerWaalsContact N-CD2 3.3Å
53D95.2Very high95.1Very high93 Ų9354.7 Ų54.750%0.49729%0.285SS..SBendtrans-70.9-34.5-174.2-79.4-39.7000111.2M51 E63 K66M51-D53 PolarHBondContact O-N 2.92Å; D53-E63 HydrophobicContact CB-CG 4.43Å; D53-E63 PolarHBondContact N-OE1 2.84Å; D53-K66 IonicContact OD1-NZ 2.61Å; D53-K66 PolarHBondContact OD1-NZ 3.29Å; D53-K66 WeakPolarHBondContact OD2-CD 3.5Å; D53-K66 IonicContact OD2-NZ 2.98Å; D53-K66 PolarHBondContact OD2-NZ 2.82Å
54D96.2Very high95.5Very high115 Ų11554.4 Ų54.462%0.61528%0.283SS*.SBendtrans-90.2-11.4-177.877.41.8000113.9D52 S56 E63D52-D54 VanDerWaalsContact OD1-OD1 3.14Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 WeakPolarHBondContact OD1-CA 3.47Å; D54-S56 WeakPolarHBondContact OD1-CB 3.32Å; D54-S56 PolarHBondContact OD1-N 2.9Å; D54-S56 PolarHBondContact OD1-OG 3.34Å; D54-E63 PolarHBondContact N-OE1 2.83Å
55G94.8Very high95.7Very high49 Ų4959.1 Ų59.151%0.50530%0.303SS..  trans73.821.217900000113.5D52 K57D52-G55 VanDerWaalsContact OD1-CA 3.23Å; D52-G55 WeakPolarHBondContact OD1-CA 3.35Å; D52-G55 PolarHBondContact OD1-N 3.48Å; G55-K57 PolarHBondContact O-N 3.09Å
56S96.2Very high95.7Very high56 Ų5663.2 Ų63.239%0.39232%0.319SS..  trans-65.9-13.9178.162.30000113.1D52 D54 S58D52-S56 PolarHBondContact OD1-N 3.22Å; D52-S56 PolarHBondContact OD1-OG 2.9Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 WeakPolarHBondContact OD1-CA 3.47Å; D54-S56 WeakPolarHBondContact OD1-CB 3.32Å; D54-S56 PolarHBondContact OD1-N 2.9Å; D54-S56 PolarHBondContact OD1-OG 3.34Å; S56-S58 PolarHBondContact O-N 3.35Å; S56-S58 PolarHBondContact OG-N 2.76Å; S56-S58 PolarHBondContact OG-O 3.46Å; S56-S58 PolarHBondContact OG-OG 3.43Å
57K95.8Very high95.8Very high166 Ų16658 Ų5872%0.72230%0.298SS*.SBendtrans67.818.4-171.7-49.7174.2-178.3173.20113.2D52 G55D52-K57 WeakPolarHBondContact OD2-CA 3.48Å; D52-K57 PolarHBondContact OD2-N 2.98Å; G55-K57 PolarHBondContact O-N 3.09Å
58S97.1Very high95.8Very high24 Ų2457.4 Ų57.417%0.16830%0.295CS..EExtended strand (participates in β ladder)trans-137.7153.917357.30000108.3S56 I95S56-S58 PolarHBondContact O-N 3.35Å; S56-S58 PolarHBondContact OG-N 2.76Å; S56-S58 PolarHBondContact OG-O 3.46Å; S56-S58 PolarHBondContact OG-OG 3.43Å; S58-I95 CarbonylContact C-O 3.54Å; S58-I95 WeakPolarHBondContact CA-O 3.37Å
59L97.5Very high95.6Very high0 Ų063.7 Ų63.70%032%0.324CS..EExtended strand (participates in β ladder)trans-102.6117.3172.5-56.4177.6000109F48 M51 D52 E63 F64 T94 I95 F100F48-L59 HydrophobicContact CD2-CD1 3.84Å; F48-L59 HydrophobicContact CD2-CG 4.05Å; F48-L59 HydrophobicContact CE2-CD1 3.8Å; F48-L59 HydrophobicContact CE2-CD2 4.33Å; F48-L59 HydrophobicContact CE2-CG 3.59Å; F48-L59 HydrophobicContact CZ-CD2 4.32Å; F48-L59 HydrophobicContact CZ-CG 3.89Å; M51-L59 HydrophobicContact CB-CD1 3.97Å; M51-L59 HydrophobicContact CB-CD2 3.61Å; M51-L59 HydrophobicContact CB-CG 4.46Å; M51-L59 HydrophobicContact SD-CD1 4Å; D52-L59 HydrophobicContact CB-CD2 3.7Å; D52-L59 VanDerWaalsContact N-CD2 3.3Å; L59-E63 HydrophobicContact CD2-CB 4.5Å; L59-F64 HydrophobicContact CB-CB 4.42Å; L59-F64 HydrophobicContact CD1-CD2 4.15Å; L59-T94 CarbonylContact O-C 3.57Å; L59-T94 WeakPolarHBondContact O-CA 3.3Å; L59-I95 HydrophobicContact CB-CB 4.29Å; L59-I95 PolarHBondContact N-O 3.4Å; L59-I95 PolarHBondContact O-N 3.37Å; L59-F100 HydrophobicContact CD1-CD2 3.97Å; L59-F100 HydrophobicContact CD1-CE2 4.1Å
60S97.2Very high95.4Very high31 Ų3161.4 Ų61.422%0.21732%0.323CS..  trans-62.5164.6163.262.70000110.9E62 E63 F64S60-E62 PolarHBondContact O-N 3.32Å; S60-E63 WeakPolarHBondContact CB-OE2 3.42Å; S60-E63 PolarHBondContact N-OE2 3.21Å; S60-E63 PolarHBondContact O-N 3.25Å; S60-E63 WeakPolarHBondContact OG-CB 3.46Å; S60-E63 VanDerWaalsContact OG-CD 3.32Å; S60-E63 VanDerWaalsContact OG-CG 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.5Å; S60-E63 PolarHBondContact OG-N 2.67Å; S60-E63 PolarHBondContact OG-OE2 3.01Å; S60-F64 WeakPolarHBondContact O-CB 3.44Å; S60-F64 PolarHBondContact O-N 3.45Å
61K96.1Very high95.3Very high70 Ų7057.6 Ų57.630%0.30430%0.299SS..Hα-helixtrans-60-38.3176.5-172.1177179.3-176.90111.8K65 D81 F84K61-K65 VanDerWaalsContact O-CB 3.26Å; K61-K65 WeakPolarHBondContact O-CB 3Å; K61-K65 PolarHBondContact O-N 3Å; K61-D81 WeakPolarHBondContact CE-OD1 3.11Å; K61-D81 IonicContact NZ-OD1 2.86Å; K61-D81 PolarHBondContact NZ-OD1 2.96Å; K61-D81 IonicContact NZ-OD2 3.5Å; K61-D81 PolarHBondContact NZ-OD2 3.04Å; K61-F84 VanDerWaalsContact CA-CE2 3.49Å; K61-F84 HydrophobicContact CB-CD2 4.29Å; K61-F84 HydrophobicContact CB-CE2 4.05Å; K61-F84 HydrophobicContact CB-CZ 4.19Å; K61-F84 HydrophobicContact CG-CD2 4.28Å; K61-F84 HydrophobicContact CG-CG 4.31Å
62E95.9Very high94.9Very high137 Ų13758.6 Ų58.664%0.6431%0.311SS*.Hα-helixtrans-65.8-47.2178.3-69.566.5-149.900111.5S60 K65 K66S60-E62 PolarHBondContact O-N 3.32Å; E62-K65 PolarHBondContact O-N 3.34Å; E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 2.91Å
63E97.1Very high94.2Very high13 Ų1358.1 Ų58.16%0.06131%0.308CS..Hα-helixtrans-63.5-44.8175.5-75.9168.9134.700111.8M51 D53 D54 L59 S60 K65 K66 G67M51-E63 WeakPolarHBondContact O-CB 3.22Å; D53-E63 HydrophobicContact CB-CG 4.43Å; D53-E63 PolarHBondContact N-OE1 2.84Å; D54-E63 PolarHBondContact N-OE1 2.83Å; L59-E63 HydrophobicContact CD2-CB 4.5Å; S60-E63 WeakPolarHBondContact CB-OE2 3.42Å; S60-E63 PolarHBondContact N-OE2 3.21Å; S60-E63 PolarHBondContact O-N 3.25Å; S60-E63 WeakPolarHBondContact OG-CB 3.46Å; S60-E63 VanDerWaalsContact OG-CD 3.32Å; S60-E63 VanDerWaalsContact OG-CG 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.5Å; S60-E63 PolarHBondContact OG-N 2.67Å; S60-E63 PolarHBondContact OG-OE2 3.01Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.36Å; E63-K66 PolarHBondContact O-N 2.95Å; E63-G67 PolarHBondContact O-N 3.4Å
64F96.2Very high93.6Very high0 Ų060.3 Ų60.30%032%0.32CS..Hα-helixtrans-61.4-42176.6-174.2-100.3000111.6L29 L59 S60 G67 C68 V80 L83 F84 V87 I95L29-F64 HydrophobicContact CD2-CE2 3.79Å; L29-F64 HydrophobicContact CD2-CZ 3.56Å; L59-F64 HydrophobicContact CB-CB 4.42Å; L59-F64 HydrophobicContact CD1-CD2 4.15Å; S60-F64 WeakPolarHBondContact O-CB 3.44Å; S60-F64 PolarHBondContact O-N 3.45Å; F64-G67 PolarHBondContact O-N 2.87Å; F64-C68 VanDerWaalsContact CE1-SG 3.58Å; F64-C68 WeakPolarHBondContact O-CB 3.27Å; F64-C68 PolarHBondContact O-N 3.15Å; F64-C68 PolarHBondContact O-SG 3.09Å; F64-V80 HydrophobicContact CD1-CG1 4.16Å; F64-V80 HydrophobicContact CE1-CG1 4.49Å; F64-L83 HydrophobicContact CE1-CB 4.35Å; F64-L83 HydrophobicContact CE1-CD2 3.93Å; F64-L83 HydrophobicContact CE1-CG 3.85Å; F64-L83 HydrophobicContact CZ-CD2 3.83Å; F64-L83 HydrophobicContact CZ-CG 3.79Å; F64-F84 HydrophobicContact CB-CD2 3.78Å; F64-F84 HydrophobicContact CB-CE2 4.04Å; F64-F84 HydrophobicContact CD1-CB 4.13Å; F64-F84 AromaticContact CD1-CD2 3.74Å; F64-F84 HydrophobicContact CD1-CD2 3.74Å; F64-F84 HydrophobicContact CD1-CG 4.45Å; F64-F84 HydrophobicContact CE1-CB 4.29Å; F64-F84 AromaticContact CG-CD2 3.82Å; F64-F84 HydrophobicContact CG-CD2 3.82Å; F64-F84 HydrophobicContact CG-CE2 4.43Å; F64-V87 HydrophobicContact CZ-CG2 4.47Å; F64-I95 HydrophobicContact CD1-CD1 4.46Å; F64-I95 HydrophobicContact CD2-CD1 3.62Å; F64-I95 HydrophobicContact CE2-CD1 3.82Å; F64-I95 HydrophobicContact CG-CD1 3.96Å; F64-I95 HydrophobicContact CZ-CD1 4.31Å
65K95.2Very high93.3Very high100 Ų10056.1 Ų56.144%0.43530%0.298SS..Hα-helixtrans-63.2-47.4176.2-178.7174.2-178.21770111.8K61 E62 E63 C68 H69 V80K61-K65 VanDerWaalsContact O-CB 3.26Å; K61-K65 WeakPolarHBondContact O-CB 3Å; K61-K65 PolarHBondContact O-N 3Å; E62-K65 PolarHBondContact O-N 3.34Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.36Å; K65-C68 PolarHBondContact O-N 2.85Å; K65-H69 PolarHBondContact O-N 2.78Å; K65-H69 VanDerWaalsContact O-N 3.14Å; K65-V80 HydrophobicContact CB-CG1 3.83Å; K65-V80 HydrophobicContact CG-CG1 4.04Å
66K94.5Very high93.2Very high92 Ų9256.8 Ų56.840%0.429%0.292SS..Hα-helixtrans-60-47.8175.5-178.2-170.8168.3-162.40110.6D53 E62 E63 C68 H69 D70D53-K66 IonicContact OD1-NZ 2.61Å; D53-K66 PolarHBondContact OD1-NZ 3.29Å; D53-K66 WeakPolarHBondContact OD2-CD 3.5Å; D53-K66 IonicContact OD2-NZ 2.98Å; D53-K66 PolarHBondContact OD2-NZ 2.82Å; E62-K66 WeakPolarHBondContact O-CB 3.48Å; E62-K66 PolarHBondContact O-N 2.91Å; E63-K66 PolarHBondContact O-N 2.95Å; K66-C68 PolarHBondContact O-N 3.38Å; K66-H69 WeakPolarHBondContact O-CB 3.37Å; K66-H69 PolarHBondContact O-N 3.33Å; K66-H69 VanDerWaalsContact O-N 3.11Å; K66-D70 PolarHBondContact O-N 3.14Å
67G94.3Very high93Very high4 Ų457.1 Ų57.14%0.04129%0.293CS..Hα-helixtrans-58.2-44.5177.300000113.3E63 F64 H69 D70 F71E63-G67 PolarHBondContact O-N 3.4Å; F64-G67 PolarHBondContact O-N 2.87Å; G67-H69 VanDerWaalsContact C-N 3.3Å; G67-H69 PolarHBondContact O-N 3.27Å; G67-D70 PolarHBondContact O-N 2.87Å; G67-F71 VanDerWaalsContact O-CB 3.23Å; G67-F71 WeakPolarHBondContact O-CB 3.49Å; G67-F71 VanDerWaalsContact O-CD1 3.28Å; G67-F71 WeakPolarHBondContact O-CD1 3.38Å; G67-F71 WeakPolarHBondContact O-CG 3.38Å; G67-F71 PolarHBondContact O-N 2.76Å
68C93.7Very high92.8Very high2 Ų255.1 Ų55.11%0.01429%0.286CS..Hα-helixtrans-60.1-40.1174.9-71.60000112.4F64 K65 K66 G72 C73 L75F64-C68 VanDerWaalsContact CE1-SG 3.58Å; F64-C68 WeakPolarHBondContact O-CB 3.27Å; F64-C68 PolarHBondContact O-N 3.15Å; F64-C68 PolarHBondContact O-SG 3.09Å; K65-C68 PolarHBondContact O-N 2.85Å; K66-C68 PolarHBondContact O-N 3.38Å; C68-G72 PolarHBondContact O-N 3.4Å; C68-C73 WeakPolarHBondContact O-CB 3.47Å; C68-C73 PolarHBondContact O-N 2.84Å; C68-C73 PolarHBondContact O-SG 3.3Å; C68-L75 HydrophobicContact CB-CD1 4.5Å
69H92.4Very high92.7Very high138 Ų13856.6 Ų56.664%0.63929%0.29SS*.Hα-helixtrans-67.3-49.9176.6174.6-85.7000111.7K65 K66 G67 F71 G72K65-H69 PolarHBondContact O-N 2.78Å; K65-H69 VanDerWaalsContact O-N 3.14Å; K66-H69 WeakPolarHBondContact O-CB 3.37Å; K66-H69 PolarHBondContact O-N 3.33Å; K66-H69 VanDerWaalsContact O-N 3.11Å; G67-H69 VanDerWaalsContact C-N 3.3Å; G67-H69 PolarHBondContact O-N 3.27Å; H69-F71 PolarHBondContact O-N 3.03Å; H69-G72 WeakPolarHBondContact O-CA 3.14Å; H69-G72 PolarHBondContact O-N 2.87Å
70D91.6Very high92.6Very high92 Ų9256.9 Ų56.949%0.49229%0.292SS..Hα-helixtrans-63.8-26.3178.7-67.6-8.3000111.6R36 K66 G67 G72R36-D70 PolarHBondContact NH2-O 3.28Å; K66-D70 PolarHBondContact O-N 3.14Å; G67-D70 PolarHBondContact O-N 2.87Å; D70-G72 PolarHBondContact O-N 2.89Å
71F90.9Very high92.5Very high6 Ų658 Ų583%0.02630%0.296CS..THydrogen-bonded Turntrans-79.9-5.1174.4-78.129.8000112.8L29 Q32 R36 Q47 V50 M51 G67 H69 C73L29-F71 HydrophobicContact CD1-CD2 4.27Å; Q32-F71 HydrophobicContact CB-CB 4.32Å; Q32-F71 WeakPolarHBondContact CG-O 3.49Å; Q32-F71 PolarHBondContact OE1-O 2.84Å; Q32-F71 VanDerWaalsContact OE1-O 3.09Å; R36-F71 PolarHBondContact NH1-O 3.21Å; R36-F71 PolarHBondContact NH2-O 2.72Å; Q47-F71 HydrophobicContact CB-CE2 3.84Å; Q47-F71 HydrophobicContact CB-CZ 3.8Å; Q47-F71 HydrophobicContact CG-CE2 4.04Å; Q47-F71 HydrophobicContact CG-CZ 4.17Å; V50-F71 HydrophobicContact CG1-CE1 4.31Å; M51-F71 HydrophobicContact CE-CD1 4.02Å; M51-F71 HydrophobicContact CE-CD2 3.43Å; M51-F71 VanDerWaalsContact CE-CD2 3.43Å; M51-F71 HydrophobicContact CE-CE1 3.89Å; M51-F71 HydrophobicContact CE-CE2 3.29Å; M51-F71 HydrophobicContact CE-CG 3.81Å; M51-F71 HydrophobicContact CE-CZ 3.51Å; M51-F71 HydrophobicContact CG-CE1 4.48Å; M51-F71 HydrophobicContact CG-CZ 4.35Å; G67-F71 VanDerWaalsContact O-CB 3.23Å; G67-F71 WeakPolarHBondContact O-CB 3.49Å; G67-F71 VanDerWaalsContact O-CD1 3.28Å; G67-F71 WeakPolarHBondContact O-CD1 3.38Å; G67-F71 WeakPolarHBondContact O-CG 3.38Å; G67-F71 PolarHBondContact O-N 2.76Å; H69-F71 PolarHBondContact O-N 3.03Å; F71-C73 VanDerWaalsContact C-N 3.34Å
72G87.7Confident92.4Very high26 Ų2659.4 Ų59.427%0.26831%0.31SS..THydrogen-bonded Turntrans70.728.7178.900000113.1Q32 C68 H69 D70 N74Q32-G72 PolarHBondContact NE2-O 2.82Å; C68-G72 PolarHBondContact O-N 3.4Å; H69-G72 WeakPolarHBondContact O-CA 3.14Å; H69-G72 PolarHBondContact O-N 2.87Å; D70-G72 PolarHBondContact O-N 2.89Å; G72-N74 PolarHBondContact O-N 3.05Å
73C82.9Confident92.4Very high6 Ų653 Ų534%0.04128%0.28CS..  trans-71.9-11.5179.1-59.30000113.1L29 C68 F71 L75L29-C73 VanDerWaalsContact CD1-SG 3.59Å; C68-C73 WeakPolarHBondContact O-CB 3.47Å; C68-C73 PolarHBondContact O-N 2.84Å; C68-C73 PolarHBondContact O-SG 3.3Å; F71-C73 VanDerWaalsContact C-N 3.34Å; C73-L75 HydrophobicContact CB-CD1 4.03Å; C73-L75 HydrophobicContact CB-CG 3.81Å; C73-L75 PolarHBondContact O-N 3.19Å; C73-L75 VanDerWaalsContact O-N 3.14Å
74N82.9Confident92.4Very high140 Ų14052.6 Ų52.675%0.74928%0.278SS*.  trans41.749.3179.2-65.4-17.1000112.6G72G72-N74 PolarHBondContact O-N 3.05Å
75L89.3Confident92.3Very high27 Ų2757.8 Ų57.814%0.14131%0.306CS..  trans-91.6144179.2-60.6179000110P25 K28 C68 C73 E79 V80 L83P25-L75 HydrophobicContact CB-CD1 4.05Å; P25-L75 HydrophobicContact CB-CD2 3.83Å; P25-L75 HydrophobicContact CG-CD2 4.31Å; K28-L75 HydrophobicContact CD-CD2 3.79Å; C68-L75 HydrophobicContact CB-CD1 4.5Å; C73-L75 HydrophobicContact CB-CD1 4.03Å; C73-L75 HydrophobicContact CB-CG 3.81Å; C73-L75 PolarHBondContact O-N 3.19Å; C73-L75 VanDerWaalsContact O-N 3.14Å; L75-E79 VanDerWaalsContact CA-OE2 3.28Å; L75-E79 WeakPolarHBondContact CA-OE2 3.41Å; L75-E79 HydrophobicContact CB-CB 4.07Å; L75-E79 HydrophobicContact CD2-CB 4.39Å; L75-V80 HydrophobicContact CB-CG2 3.7Å; L75-V80 HydrophobicContact CD1-CG2 4.24Å; L75-L83 HydrophobicContact CD1-CD2 3.71Å
76T92.3Very high92.3Very high62 Ų6258.4 Ų58.438%0.3831%0.305SS..  trans-69.7159.4169.7830000110.5E78 E79 V80T76-E78 VanDerWaalsContact CB-OE2 3.29Å; T76-E78 WeakPolarHBondContact CB-OE2 3.12Å; T76-E78 PolarHBondContact O-N 3.49Å; T76-E78 PolarHBondContact OG1-N 2.7Å; T76-E78 PolarHBondContact OG1-OE2 2.82Å; T76-E79 PolarHBondContact N-OE2 2.84Å; T76-E79 PolarHBondContact O-N 3.48Å; T76-E79 VanDerWaalsContact O-N 3.11Å; T76-E79 PolarHBondContact OG1-N 2.88Å; T76-V80 WeakPolarHBondContact O-CG2 3.49Å; T76-V80 PolarHBondContact O-N 3.35Å
77P91.6Very high92.3Very high63 Ų6354 Ų5441%0.40929%0.286SS..Hα-helixtrans-52.2-38.4174.4-27.336.5000113.2V80 D81P77-V80 PolarHBondContact O-N 2.78Å; P77-D81 PolarHBondContact O-N 2.93Å
78E93.3Very high92.4Very high125 Ų12554.4 Ų54.458%0.58429%0.288SS*.Hα-helixtrans-69.8-39.9178.8-55.870.9-151.600111.7T76 V80 D81 V82T76-E78 VanDerWaalsContact CB-OE2 3.29Å; T76-E78 WeakPolarHBondContact CB-OE2 3.12Å; T76-E78 PolarHBondContact O-N 3.49Å; T76-E78 PolarHBondContact OG1-N 2.7Å; T76-E78 PolarHBondContact OG1-OE2 2.82Å; E78-V80 VanDerWaalsContact C-N 3.33Å; E78-D81 PolarHBondContact O-N 3.19Å; E78-V82 WeakPolarHBondContact O-CG2 3.48Å; E78-V82 PolarHBondContact O-N 3.34Å
79E94.6Very high92.2Very high55 Ų5560.9 Ų60.926%0.25732%0.315SS..Hα-helixtrans-64.7-38.1174.7-72179.9134.500111.7P25 L75 T76 L83P25-E79 HydrophobicContact CG-CB 4.13Å; P25-E79 HydrophobicContact CG-CG 4.29Å; L75-E79 VanDerWaalsContact CA-OE2 3.28Å; L75-E79 WeakPolarHBondContact CA-OE2 3.41Å; L75-E79 HydrophobicContact CB-CB 4.07Å; L75-E79 HydrophobicContact CD2-CB 4.39Å; T76-E79 PolarHBondContact N-OE2 2.84Å; T76-E79 PolarHBondContact O-N 3.48Å; T76-E79 VanDerWaalsContact O-N 3.11Å; T76-E79 PolarHBondContact OG1-N 2.88Å; E79-L83 WeakPolarHBondContact O-CB 3.44Å; E79-L83 PolarHBondContact O-N 3.44Å
80V95.3Very high92.1Very high5 Ų557 Ų573%0.0330%0.3CS..Hα-helixtrans-64.2-43.1174.7174.70000110.7F64 K65 L75 T76 P77 E78 L83 F84F64-V80 HydrophobicContact CD1-CG1 4.16Å; F64-V80 HydrophobicContact CE1-CG1 4.49Å; K65-V80 HydrophobicContact CB-CG1 3.83Å; K65-V80 HydrophobicContact CG-CG1 4.04Å; L75-V80 HydrophobicContact CB-CG2 3.7Å; L75-V80 HydrophobicContact CD1-CG2 4.24Å; T76-V80 WeakPolarHBondContact O-CG2 3.49Å; T76-V80 PolarHBondContact O-N 3.35Å; P77-V80 PolarHBondContact O-N 2.78Å; E78-V80 VanDerWaalsContact C-N 3.33Å; V80-L83 PolarHBondContact O-N 3.05Å; V80-F84 WeakPolarHBondContact O-CB 3.34Å; V80-F84 PolarHBondContact O-N 2.79Å
81D94.5Very high92.2Very high55 Ų5555.5 Ų55.529%0.29431%0.306SS..Hα-helixtrans-63.2-44.8178.8-77.110.5000112K61 P77 E78 L83 F84 N85K61-D81 WeakPolarHBondContact CE-OD1 3.11Å; K61-D81 IonicContact NZ-OD1 2.86Å; K61-D81 PolarHBondContact NZ-OD1 2.96Å; K61-D81 IonicContact NZ-OD2 3.5Å; K61-D81 PolarHBondContact NZ-OD2 3.04Å; P77-D81 PolarHBondContact O-N 2.93Å; E78-D81 PolarHBondContact O-N 3.19Å; D81-L83 VanDerWaalsContact C-N 3.34Å; D81-F84 PolarHBondContact O-N 3.24Å; D81-N85 VanDerWaalsContact O-CG 3.27Å; D81-N85 PolarHBondContact O-N 3.12Å; D81-N85 VanDerWaalsContact O-N 3.1Å; D81-N85 PolarHBondContact O-ND2 2.83Å
82V94.2Very high92.3Very high99 Ų9958.2 Ų58.260%0.633%0.325SS*.Hα-helixtrans-63.5-41.6174.9171.90000111E78 R86E78-V82 WeakPolarHBondContact O-CG2 3.48Å; E78-V82 PolarHBondContact O-N 3.34Å; V82-R86 WeakPolarHBondContact O-CB 3.18Å; V82-R86 PolarHBondContact O-N 2.86Å; V82-R86 VanDerWaalsContact O-N 3.11Å
83L95.6Very high92.7Very high3 Ų359 Ų592%0.01633%0.333CS..Hα-helixtrans-65.2-45.3178.2178.658000111.4P25 L26 L29 F64 L75 E79 V80 D81 N85 R86 V87P25-L83 HydrophobicContact CB-CB 4.21Å; P25-L83 HydrophobicContact CB-CD1 4.49Å; P25-L83 HydrophobicContact CB-CD2 4.14Å; L26-L83 HydrophobicContact CB-CD1 3.68Å; L26-L83 HydrophobicContact CD1-CD1 3.69Å; L26-L83 HydrophobicContact CG-CD1 4.3Å; L29-L83 HydrophobicContact CB-CD2 4.23Å; L29-L83 HydrophobicContact CD2-CD2 3.88Å; F64-L83 HydrophobicContact CE1-CB 4.35Å; F64-L83 HydrophobicContact CE1-CD2 3.93Å; F64-L83 HydrophobicContact CE1-CG 3.85Å; F64-L83 HydrophobicContact CZ-CD2 3.83Å; F64-L83 HydrophobicContact CZ-CG 3.79Å; L75-L83 HydrophobicContact CD1-CD2 3.71Å; E79-L83 WeakPolarHBondContact O-CB 3.44Å; E79-L83 PolarHBondContact O-N 3.44Å; V80-L83 PolarHBondContact O-N 3.05Å; D81-L83 VanDerWaalsContact C-N 3.34Å; L83-N85 PolarHBondContact O-N 3.32Å; L83-R86 WeakPolarHBondContact O-CB 3.27Å; L83-R86 PolarHBondContact O-N 3.45Å; L83-R86 VanDerWaalsContact O-N 3.09Å; L83-V87 HydrophobicContact CD1-CG2 4.03Å; L83-V87 HydrophobicContact CG-CG2 4.47Å; L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 2.96Å
84F97Very high93.3Very high5 Ų560.8 Ų60.82%0.02234%0.344CS..Hα-helixtrans-56-53.9177.8-174.7-85.6000110.4K61 F64 V80 D81 R86 V87 D88 G93 I95K61-F84 VanDerWaalsContact CA-CE2 3.49Å; K61-F84 HydrophobicContact CB-CD2 4.29Å; K61-F84 HydrophobicContact CB-CE2 4.05Å; K61-F84 HydrophobicContact CB-CZ 4.19Å; K61-F84 HydrophobicContact CG-CD2 4.28Å; K61-F84 HydrophobicContact CG-CG 4.31Å; F64-F84 HydrophobicContact CB-CD2 3.78Å; F64-F84 HydrophobicContact CB-CE2 4.04Å; F64-F84 HydrophobicContact CD1-CB 4.13Å; F64-F84 AromaticContact CD1-CD2 3.74Å; F64-F84 HydrophobicContact CD1-CD2 3.74Å; F64-F84 HydrophobicContact CD1-CG 4.45Å; F64-F84 HydrophobicContact CE1-CB 4.29Å; F64-F84 AromaticContact CG-CD2 3.82Å; F64-F84 HydrophobicContact CG-CD2 3.82Å; F64-F84 HydrophobicContact CG-CE2 4.43Å; V80-F84 WeakPolarHBondContact O-CB 3.34Å; V80-F84 PolarHBondContact O-N 2.79Å; D81-F84 PolarHBondContact O-N 3.24Å; F84-R86 PolarHBondContact O-N 3.45Å; F84-R86 VanDerWaalsContact O-N 3.13Å; F84-V87 PolarHBondContact O-N 3.46Å; F84-D88 HydrophobicContact CD1-CB 4.27Å; F84-D88 HydrophobicContact CE1-CB 3.98Å; F84-D88 WeakPolarHBondContact O-CB 3.36Å; F84-D88 PolarHBondContact O-N 3.08Å; F84-G93 WeakPolarHBondContact CZ-O 3.36Å; F84-I95 HydrophobicContact CD2-CD1 3.47Å; F84-I95 VanDerWaalsContact CD2-CD1 3.47Å; F84-I95 HydrophobicContact CD2-CG1 4.18Å; F84-I95 HydrophobicContact CE2-CD1 3.54Å; F84-I95 HydrophobicContact CE2-CG1 3.79Å; F84-I95 HydrophobicContact CG-CD1 4.15Å; F84-I95 HydrophobicContact CZ-CD1 4.26Å; F84-I95 HydrophobicContact CZ-CG1 4.06Å
85N95.3Very high94Very high109 Ų10954.1 Ų54.158%0.58331%0.308SS*.Hα-helixtrans-62.7-22.7178.7-65.7-19.2000113.5D81 L83D81-N85 VanDerWaalsContact O-CG 3.27Å; D81-N85 PolarHBondContact O-N 3.12Å; D81-N85 VanDerWaalsContact O-N 3.1Å; D81-N85 PolarHBondContact O-ND2 2.83Å; L83-N85 PolarHBondContact O-N 3.32Å
86R94.5Very high94.3Very high112 Ų11256.2 Ų56.242%0.42332%0.319SS..Hα-helixtrans-79.4-31.6175.9-175.7177.6178.9-168-2.2112.1D24 V82 L83 F84 K89D24-R86 IonicContact OD1-NH1 2.84Å; D24-R86 PolarHBondContact OD1-NH1 2.91Å; D24-R86 IonicContact OD2-CZ 2.68Å; D24-R86 IonicContact OD2-NH1 2.6Å; D24-R86 PolarHBondContact OD2-NH1 2.69Å; D24-R86 IonicContact OD2-NH2 3.91Å; V82-R86 WeakPolarHBondContact O-CB 3.18Å; V82-R86 PolarHBondContact O-N 2.86Å; V82-R86 VanDerWaalsContact O-N 3.11Å; L83-R86 WeakPolarHBondContact O-CB 3.27Å; L83-R86 PolarHBondContact O-N 3.45Å; L83-R86 VanDerWaalsContact O-N 3.09Å; F84-R86 PolarHBondContact O-N 3.45Å; F84-R86 VanDerWaalsContact O-N 3.13Å; R86-K89 VanDerWaalsContact O-CE 3.3Å; R86-K89 WeakPolarHBondContact O-CE 3.3Å; R86-K89 PolarHBondContact O-NZ 3.14Å; R86-K89 VanDerWaalsContact O-NZ 3.16Å
87V95.4Very high94.4Very high1 Ų156 Ų561%0.00631%0.313CS..Hα-helixtrans-85.9-44.2-179.3179.90000110.9L26 F64 L83 F84 K89 I95 A103L26-V87 HydrophobicContact CD1-CG2 4.07Å; F64-V87 HydrophobicContact CZ-CG2 4.47Å; L83-V87 HydrophobicContact CD1-CG2 4.03Å; L83-V87 HydrophobicContact CG-CG2 4.47Å; L83-V87 WeakPolarHBondContact O-CG2 3.35Å; L83-V87 PolarHBondContact O-N 2.96Å; F84-V87 PolarHBondContact O-N 3.46Å; V87-K89 PolarHBondContact O-N 3.21Å; V87-I95 HydrophobicContact CB-CD1 3.79Å; V87-I95 HydrophobicContact CB-CG1 4.28Å; V87-I95 HydrophobicContact CG1-CB 4.43Å; V87-I95 HydrophobicContact CG1-CD1 3.7Å; V87-I95 HydrophobicContact CG1-CG1 3.96Å; V87-I95 HydrophobicContact CG1-CG2 3.58Å; V87-A103 HydrophobicContact CB-CB 4.31Å; V87-A103 HydrophobicContact CG1-CB 3.88Å; V87-A103 HydrophobicContact CG2-CB 3.88Å
88D95.7Very high94.3Very high12 Ų1256.6 Ų56.66%0.06431%0.312CS..  trans-66.780.3168.6179.19000108.5F84 D90 G91 S92 G93 I95F84-D88 HydrophobicContact CD1-CB 4.27Å; F84-D88 HydrophobicContact CE1-CB 3.98Å; F84-D88 WeakPolarHBondContact O-CB 3.36Å; F84-D88 PolarHBondContact O-N 3.08Å; D88-D90 PolarHBondContact O-N 2.92Å; D88-G91 VanDerWaalsContact OD1-CA 3.3Å; D88-G91 WeakPolarHBondContact OD1-CA 3.36Å; D88-G91 PolarHBondContact OD1-N 3.29Å; D88-S92 PolarHBondContact OD1-N 3.49Å; D88-S92 VanDerWaalsContact OD1-N 3.09Å; D88-S92 PolarHBondContact OD2-N 3.01Å; D88-G93 WeakPolarHBondContact OD2-CA 3.49Å; D88-G93 PolarHBondContact OD2-N 2.97Å; D88-I95 HydrophobicContact CB-CG1 4.07Å
89K90.1Very high94.3Very high138 Ų13851 Ų5160%0.629%0.286SS*.SBendtrans-68.7-27.8-176.6-74.4-56.4-172.7-170.60111.3R86 V87 E99R86-K89 VanDerWaalsContact O-CE 3.3Å; R86-K89 WeakPolarHBondContact O-CE 3.3Å; R86-K89 PolarHBondContact O-NZ 3.14Å; R86-K89 VanDerWaalsContact O-NZ 3.16Å; V87-K89 PolarHBondContact O-N 3.21Å; K89-E99 PolarHBondContact N-OE1 3.34Å
90D89.5Confident94.3Very high57 Ų5748.3 Ų48.331%0.30527%0.274SS..SBendtrans-95.7-15.1-166.8109.5-42.2000111.2D88 S92 E99 K170D88-D90 PolarHBondContact O-N 2.92Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 WeakPolarHBondContact OD1-CA 3.46Å; D90-S92 WeakPolarHBondContact OD1-CB 3.38Å; D90-S92 PolarHBondContact OD1-N 2.93Å; D90-S92 PolarHBondContact OD1-OG 3.3Å; D90-E99 WeakPolarHBondContact CB-OE1 3.39Å; D90-E99 PolarHBondContact N-OE1 3.36Å; D90-E99 VanDerWaalsContact N-OE1 3.15Å; D90-K170 VanDerWaalsContact CA-NZ 3.31Å; D90-K170 HydrophobicContact CB-CD 3.99Å; D90-K170 PolarHBondContact O-NZ 3.09Å; D90-K170 IonicContact OD1-NZ 2.77Å; D90-K170 WeakPolarHBondContact OD2-CE 3.43Å; D90-K170 IonicContact OD2-NZ 3.55Å; D90-K170 PolarHBondContact OD2-NZ 3.46Å
91G93Very high94.1Very high60 Ų6048.6 Ų48.662%0.61928%0.275SS*.  trans73.821.4176.200000113.1D88 G93D88-G91 VanDerWaalsContact OD1-CA 3.3Å; D88-G91 WeakPolarHBondContact OD1-CA 3.36Å; D88-G91 PolarHBondContact OD1-N 3.29Å; G91-G93 PolarHBondContact O-N 3.35Å
92S93.9Very high93.9Very high63 Ų6349.7 Ų49.744%0.44128%0.275SS..SBendtrans-70.6-16.1-178.760.90000113D88 D90 T94D88-S92 PolarHBondContact OD1-N 3.49Å; D88-S92 VanDerWaalsContact OD1-N 3.09Å; D88-S92 PolarHBondContact OD2-N 3.01Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 WeakPolarHBondContact OD1-CA 3.46Å; D90-S92 WeakPolarHBondContact OD1-CB 3.38Å; D90-S92 PolarHBondContact OD1-N 2.93Å; D90-S92 PolarHBondContact OD1-OG 3.3Å; S92-T94 VanDerWaalsContact C-N 3.27Å; S92-T94 PolarHBondContact OG-N 3.19Å; S92-T94 PolarHBondContact OG-O 3.09Å; S92-T94 PolarHBondContact OG-OG1 3.21Å
93G95.4Very high93.8Very high41 Ų4145.7 Ų45.742%0.42325%0.252SS..SBendtrans82.17.2-17100000113F84 D88 G91F84-G93 WeakPolarHBondContact CZ-O 3.36Å; D88-G93 WeakPolarHBondContact OD2-CA 3.49Å; D88-G93 PolarHBondContact OD2-N 2.97Å; G91-G93 PolarHBondContact O-N 3.35Å
94T96.8Very high93.6Very high45 Ų4545.6 Ų45.628%0.27625%0.252SS..SBendtrans-139.2150175.158.90000109.8L59 S92L59-T94 CarbonylContact O-C 3.57Å; L59-T94 WeakPolarHBondContact O-CA 3.3Å; S92-T94 VanDerWaalsContact C-N 3.27Å; S92-T94 PolarHBondContact OG-N 3.19Å; S92-T94 PolarHBondContact OG-O 3.09Å; S92-T94 PolarHBondContact OG-OG1 3.21Å
95I97Very high93.2Very high0 Ų046.9 Ų46.90%026%0.257CS..EExtended strand (participates in β ladder)trans-103.1114.1176.5-65.6164000109.2F48 S58 L59 F64 F84 V87 D88 E99 F100F48-I95 WeakPolarHBondContact CE2-O 3.22Å; S58-I95 CarbonylContact C-O 3.54Å; S58-I95 WeakPolarHBondContact CA-O 3.37Å; L59-I95 HydrophobicContact CB-CB 4.29Å; L59-I95 PolarHBondContact N-O 3.4Å; L59-I95 PolarHBondContact O-N 3.37Å; F64-I95 HydrophobicContact CD1-CD1 4.46Å; F64-I95 HydrophobicContact CD2-CD1 3.62Å; F64-I95 HydrophobicContact CE2-CD1 3.82Å; F64-I95 HydrophobicContact CG-CD1 3.96Å; F64-I95 HydrophobicContact CZ-CD1 4.31Å; F84-I95 HydrophobicContact CD2-CD1 3.47Å; F84-I95 VanDerWaalsContact CD2-CD1 3.47Å; F84-I95 HydrophobicContact CD2-CG1 4.18Å; F84-I95 HydrophobicContact CE2-CD1 3.54Å; F84-I95 HydrophobicContact CE2-CG1 3.79Å; F84-I95 HydrophobicContact CG-CD1 4.15Å; F84-I95 HydrophobicContact CZ-CD1 4.26Å; F84-I95 HydrophobicContact CZ-CG1 4.06Å; V87-I95 HydrophobicContact CB-CD1 3.79Å; V87-I95 HydrophobicContact CB-CG1 4.28Å; V87-I95 HydrophobicContact CG1-CB 4.43Å; V87-I95 HydrophobicContact CG1-CD1 3.7Å; V87-I95 HydrophobicContact CG1-CG1 3.96Å; V87-I95 HydrophobicContact CG1-CG2 3.58Å; D88-I95 HydrophobicContact CB-CG1 4.07Å; I95-E99 WeakPolarHBondContact CA-OE2 3.47Å; I95-E99 HydrophobicContact CG2-CB 4.06Å; I95-F100 HydrophobicContact CG2-CB 3.85Å
96I95.5Very high92.6Very high70 Ų7044.5 Ų44.536%0.35925%0.247SC..EExtended strand (participates in β ladder)trans-79.1164.5171.862.1167.6000111.3D98 E99 F100I96-D98 VanDerWaalsContact C-N 3.28Å; I96-D98 HydrophobicContact CD1-CB 4.27Å; I96-D98 PolarHBondContact O-N 3.48Å; I96-E99 HydrophobicContact CD1-CG 4.49Å; I96-E99 HydrophobicContact CG1-CB 4.24Å; I96-E99 HydrophobicContact CG1-CG 3.76Å; I96-E99 PolarHBondContact N-OE2 3.47Å; I96-E99 PolarHBondContact O-N 2.99Å; I96-F100 PolarHBondContact O-N 2.88Å
97F93.7Very high92.1Very high59 Ų5944.7 Ų44.726%0.25926%0.263SS..Hα-helixtrans-59.3-35.5-177.2179.6-117.3000113.7I41 F44 F48 F100 L101I41-F97 HydrophobicContact CD1-CE1 4.28Å; I41-F97 HydrophobicContact CG1-CE1 3.89Å; I41-F97 HydrophobicContact CG1-CZ 3.98Å; F44-F97 HydrophobicContact CB-CE2 4.33Å; F48-F97 HydrophobicContact CB-CD2 3.76Å; F48-F97 HydrophobicContact CB-CE2 4.14Å; F48-F97 HydrophobicContact CD1-CB 4.38Å; F48-F97 HydrophobicContact CD1-CD2 4.25Å; F48-F97 HydrophobicContact CD2-CB 4.35Å; F48-F97 AromaticContact CD2-CD2 3.91Å; F48-F97 HydrophobicContact CD2-CD2 3.91Å; F48-F97 HydrophobicContact CE1-CB 4.26Å; F48-F97 HydrophobicContact CE2-CB 4.19Å; F48-F97 HydrophobicContact CG-CB 4.42Å; F48-F97 AromaticContact CG-CD2 3.71Å; F48-F97 HydrophobicContact CG-CD2 3.71Å; F48-F97 HydrophobicContact CZ-CB 4.15Å; F97-F100 PolarHBondContact O-N 3.25Å; F97-L101 HydrophobicContact CE1-CD2 4.22Å; F97-L101 HydrophobicContact CE2-CB 4.38Å; F97-L101 HydrophobicContact CZ-CB 4.32Å; F97-L101 HydrophobicContact CZ-CD1 4.34Å; F97-L101 HydrophobicContact CZ-CD2 4.23Å; F97-L101 VanDerWaalsContact O-CB 3.25Å; F97-L101 WeakPolarHBondContact O-CB 3.42Å; F97-L101 PolarHBondContact O-N 3.34Å
98D90.1Very high91.8Very high74 Ų7445.8 Ų45.840%0.39627%0.268SS..Hα-helixtrans-62.7-45177.5-176.265.8000111.7I96 L101 R102I96-D98 VanDerWaalsContact C-N 3.28Å; I96-D98 HydrophobicContact CD1-CB 4.27Å; I96-D98 PolarHBondContact O-N 3.48Å; D98-L101 PolarHBondContact O-N 3.44Å; D98-R102 WeakPolarHBondContact O-CB 3.47Å; D98-R102 PolarHBondContact O-N 3.13Å; D98-R102 IonicContact OD2-CZ 2.73Å; D98-R102 IonicContact OD2-NH2 2.8Å
99E93.4Very high91.5Very high7 Ų747.3 Ų47.33%0.03328%0.28CS..Hα-helixtrans-62.9-46.5176.8-69.5-178.8124.900111.8K89 D90 I95 I96 L101 R102 A103K89-E99 PolarHBondContact N-OE1 3.34Å; D90-E99 WeakPolarHBondContact CB-OE1 3.39Å; D90-E99 PolarHBondContact N-OE1 3.36Å; D90-E99 VanDerWaalsContact N-OE1 3.15Å; I95-E99 WeakPolarHBondContact CA-OE2 3.47Å; I95-E99 HydrophobicContact CG2-CB 4.06Å; I96-E99 HydrophobicContact CD1-CG 4.49Å; I96-E99 HydrophobicContact CG1-CB 4.24Å; I96-E99 HydrophobicContact CG1-CG 3.76Å; I96-E99 PolarHBondContact N-OE2 3.47Å; I96-E99 PolarHBondContact O-N 2.99Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 3.11Å; E99-R102 PolarHBondContact O-N 2.89Å; E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.17Å; E99-A103 PolarHBondContact O-N 3.11Å
100F94Very high91.6Very high0 Ų047.8 Ų47.80%029%0.289CS..Hα-helixtrans-57.6-47.9175.5-174.9-93.7000111.4F44 F48 M51 L59 I95 I96 F97 A103 L104F44-F100 HydrophobicContact CD1-CE1 4.12Å; F48-F100 HydrophobicContact CB-CD1 4.21Å; F48-F100 HydrophobicContact CB-CE1 4.18Å; F48-F100 HydrophobicContact CD2-CB 3.72Å; F48-F100 AromaticContact CD2-CD1 3.93Å; F48-F100 HydrophobicContact CD2-CD1 3.93Å; F48-F100 HydrophobicContact CD2-CD2 4.02Å; F48-F100 AromaticContact CD2-CG 3.65Å; F48-F100 HydrophobicContact CD2-CG 3.65Å; F48-F100 HydrophobicContact CE2-CB 3.98Å; F48-F100 HydrophobicContact CE2-CG 4.33Å; M51-F100 HydrophobicContact CE-CE2 4.43Å; M51-F100 HydrophobicContact CE-CZ 4.45Å; M51-F100 HydrophobicContact SD-CE2 3.93Å; M51-F100 HydrophobicContact SD-CZ 4.31Å; L59-F100 HydrophobicContact CD1-CD2 3.97Å; L59-F100 HydrophobicContact CD1-CE2 4.1Å; I95-F100 HydrophobicContact CG2-CB 3.85Å; I96-F100 PolarHBondContact O-N 2.88Å; F97-F100 PolarHBondContact O-N 3.25Å; F100-A103 PolarHBondContact O-N 3.11Å; F100-L104 HydrophobicContact CD1-CD1 3.97Å; F100-L104 HydrophobicContact CD2-CD1 3.68Å; F100-L104 HydrophobicContact CE1-CD1 3.62Å; F100-L104 HydrophobicContact CE2-CD1 3.3Å; F100-L104 HydrophobicContact CG-CD1 4Å; F100-L104 HydrophobicContact CZ-CD1 3.28Å; F100-L104 WeakPolarHBondContact O-CB 3.12Å; F100-L104 WeakPolarHBondContact O-CG 3.48Å; F100-L104 PolarHBondContact O-N 3.21Å
101L91.4Very high91.8Very high10 Ų1047.5 Ų47.55%0.05229%0.291CS..Hα-helixtrans-67-45.7-179.6-175.667.7000111.3I41 F44 F97 D98 E99 A103 L104 R105I41-L101 HydrophobicContact CD1-CD2 4.12Å; I41-L101 HydrophobicContact CG1-CD2 3.94Å; F44-L101 HydrophobicContact CB-CD1 3.62Å; F44-L101 HydrophobicContact CD2-CD1 3.93Å; F44-L101 HydrophobicContact CG-CD1 3.88Å; F97-L101 HydrophobicContact CE1-CD2 4.22Å; F97-L101 HydrophobicContact CE2-CB 4.38Å; F97-L101 HydrophobicContact CZ-CB 4.32Å; F97-L101 HydrophobicContact CZ-CD1 4.34Å; F97-L101 HydrophobicContact CZ-CD2 4.23Å; F97-L101 VanDerWaalsContact O-CB 3.25Å; F97-L101 WeakPolarHBondContact O-CB 3.42Å; F97-L101 PolarHBondContact O-N 3.34Å; D98-L101 PolarHBondContact O-N 3.44Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 3.11Å; L101-A103 VanDerWaalsContact C-N 3.26Å; L101-A103 PolarHBondContact O-N 3.28Å; L101-L104 PolarHBondContact O-N 3.26Å; L101-R105 HydrophobicContact CD1-CB 4.38Å; L101-R105 WeakPolarHBondContact O-CB 3.45Å; L101-R105 WeakPolarHBondContact O-CD 3.5Å; L101-R105 WeakPolarHBondContact O-CG 3.23Å; L101-R105 PolarHBondContact O-N 3.26Å
102R90Very high91.9Very high78 Ų7845.4 Ų45.429%0.29427%0.265SS..Hα-helixtrans-58.7-40.8177.5179.8-178.2-76.3160.4-3.3110.9D98 E99 N183D98-R102 WeakPolarHBondContact O-CB 3.47Å; D98-R102 PolarHBondContact O-N 3.13Å; D98-R102 IonicContact OD2-CZ 2.73Å; D98-R102 IonicContact OD2-NH2 2.8Å; E99-R102 PolarHBondContact O-N 2.89Å; R102-N183 WeakPolarHBondContact CG-OD1 3.21Å; R102-N183 PolarHBondContact NE-ND2 2.78Å; R102-N183 PolarHBondContact NE-OD1 3.46Å; R102-N183 PolarHBondContact NH2-ND2 3.1Å
103A92.3Very high92Very high16 Ų1643.9 Ų43.913%0.13225%0.253CS..Hα-helixtrans-74.6-40.7-179.900000112.9L26 R30 V87 E99 F100 L101L26-A103 HydrophobicContact CD1-CB 4.06Å; R30-A103 PolarHBondContact NH2-O 2.93Å; V87-A103 HydrophobicContact CB-CB 4.31Å; V87-A103 HydrophobicContact CG1-CB 3.88Å; V87-A103 HydrophobicContact CG2-CB 3.88Å; E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.17Å; E99-A103 PolarHBondContact O-N 3.11Å; F100-A103 PolarHBondContact O-N 3.11Å; L101-A103 VanDerWaalsContact C-N 3.26Å; L101-A103 PolarHBondContact O-N 3.28Å
104L92Very high92.1Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-102-17.3-169-63176.7000115.3L26 L29 R30 F44 F100 L101L26-L104 HydrophobicContact CD1-CD2 3.65Å; L29-L104 HydrophobicContact CB-CD2 4.06Å; L29-L104 HydrophobicContact CD2-CD1 3.92Å; L29-L104 HydrophobicContact CD2-CD2 3.86Å; L29-L104 HydrophobicContact CD2-CG 4.49Å; L29-L104 HydrophobicContact CG-CD1 4.01Å; L29-L104 HydrophobicContact CG-CD2 3.74Å; R30-L104 HydrophobicContact CB-CD2 4.23Å; R30-L104 VanDerWaalsContact CG-O 3.25Å; R30-L104 WeakPolarHBondContact CG-O 3.42Å; R30-L104 PolarHBondContact NE-O 2.86Å; F44-L104 HydrophobicContact CD1-CB 4.1Å; F44-L104 HydrophobicContact CE1-CB 3.66Å; F44-L104 HydrophobicContact CZ-CB 4.49Å; F44-L104 WeakPolarHBondContact CZ-O 3.47Å; F100-L104 HydrophobicContact CD1-CD1 3.97Å; F100-L104 HydrophobicContact CD2-CD1 3.68Å; F100-L104 HydrophobicContact CE1-CD1 3.62Å; F100-L104 HydrophobicContact CE2-CD1 3.3Å; F100-L104 HydrophobicContact CG-CD1 4Å; F100-L104 HydrophobicContact CZ-CD1 3.28Å; F100-L104 WeakPolarHBondContact O-CB 3.12Å; F100-L104 WeakPolarHBondContact O-CG 3.48Å; F100-L104 PolarHBondContact O-N 3.21Å; L101-L104 PolarHBondContact O-N 3.26Å
105R87.8Confident92.1Very high33 Ų3345 Ų4513%0.12524%0.244CC..SBendtrans-57.6145174.370.2-170.3175.9-170.8-4.4110.6R30 L101 N183 S186R30-R105 PolarHBondContact NE-O 3.34Å; L101-R105 HydrophobicContact CD1-CB 4.38Å; L101-R105 WeakPolarHBondContact O-CB 3.45Å; L101-R105 WeakPolarHBondContact O-CD 3.5Å; L101-R105 WeakPolarHBondContact O-CG 3.23Å; L101-R105 PolarHBondContact O-N 3.26Å; R105-N183 PolarHBondContact NH1-O 3.01Å; R105-N183 VanDerWaalsContact NH1-O 3.08Å; R105-N183 PolarHBondContact NH2-O 3.42Å; R105-N183 PolarHBondContact NH2-OD1 3.21Å; R105-S186 VanDerWaalsContact NH1-C 3.31Å; R105-S186 VanDerWaalsContact NH1-CB 3.3Å
106P83Confident92.1Very high59 Ų5945 Ų4538%0.38324%0.244SC..PPolyproline II helixtrans-60.1151171.2-22.233.2000111.3L34L34-P106 HydrophobicContact CD1-CG 4.25Å; L34-P106 HydrophobicContact CD2-CG 3.85Å
107P84.5Confident92.2Very high116 Ų11647.7 Ų47.775%0.75325%0.25SC*.PPolyproline II helixtrans-60147.1168.427.7-33.9000110.1
108M88.3Confident92.4Very high24 Ų2449 Ų4912%0.11826%0.255CS..PPolyproline II helixtrans-62.7152172.7-69.7-164.6-66.700110.9R112 V116 L182 S186 S189 F198M108-R112 HydrophobicContact CB-CB 4.14Å; M108-R112 HydrophobicContact SD-CB 4.19Å; M108-V116 HydrophobicContact CE-CG2 4.2Å; M108-L182 HydrophobicContact CE-CD1 3.32Å; M108-L182 HydrophobicContact CE-CG 4.36Å; M108-S186 WeakPolarHBondContact CE-OG 3.32Å; M108-S189 WeakPolarHBondContact CG-OG 3.49Å; M108-S189 WeakPolarHBondContact SD-CB 3.34Å; M108-S189 PolarHBondContact SD-OG 3.25Å; M108-S189 VanDerWaalsContact SD-OG 3.4Å; M108-F198 HydrophobicContact SD-CZ 4.27Å
109S90.4Very high92.7Very high44 Ų4445.5 Ų45.531%0.30824%0.237SC..PPolyproline II helixtrans-59.1157171.274.80000110.8S111 R112 T113 D195S109-S111 PolarHBondContact O-N 3.19Å; S109-R112 PolarHBondContact O-N 2.89Å; S109-R112 WeakPolarHBondContact OG-CG 3.25Å; S109-R112 PolarHBondContact OG-N 2.99Å; S109-T113 WeakPolarHBondContact O-CB 3.49Å; S109-T113 PolarHBondContact O-N 2.99Å; S109-T113 PolarHBondContact O-OG1 2.84Å; S109-D195 WeakPolarHBondContact CB-OD2 3.46Å; S109-D195 PolarHBondContact OG-OD2 3.34Å
110N92.5Very high92.8Very high148 Ų14845.4 Ų45.479%0.79124%0.236SC*.Hα-helixtrans-57.8-37.8177.3-71.5-19.1000111.5T113 E114N110-T113 PolarHBondContact O-N 2.86Å; N110-E114 WeakPolarHBondContact O-CB 3.47Å; N110-E114 PolarHBondContact O-N 3.31Å
111S93.2Very high92.9Very high51 Ų5150 Ų5036%0.35726%0.261SS..Hα-helixtrans-61.5-49.1178.7-147.10000111.9S109 T113 E114 V115 E199S109-S111 PolarHBondContact O-N 3.19Å; S111-T113 VanDerWaalsContact C-N 3.34Å; S111-T113 PolarHBondContact O-N 3.39Å; S111-E114 PolarHBondContact O-N 2.97Å; S111-V115 PolarHBondContact O-N 2.93Å; S111-V115 VanDerWaalsContact O-N 3.16Å; S111-E199 VanDerWaalsContact CB-OE1 3.23Å; S111-E199 WeakPolarHBondContact CB-OE1 3.28Å; S111-E199 PolarHBondContact OG-OE1 3.23Å
112R95.2Very high93Very high16 Ų1653.1 Ų53.16%0.0627%0.274CS..Hα-helixtrans-62.5-41.7175.3-66.4-168.8-167.9-156.2-1.5111.9M108 S109 E114 V115 V116 S189 I192 D195 F198M108-R112 HydrophobicContact CB-CB 4.14Å; M108-R112 HydrophobicContact SD-CB 4.19Å; S109-R112 PolarHBondContact O-N 2.89Å; S109-R112 WeakPolarHBondContact OG-CG 3.25Å; S109-R112 PolarHBondContact OG-N 2.99Å; R112-E114 VanDerWaalsContact C-N 3.33Å; R112-E114 PolarHBondContact O-N 3.39Å; R112-V115 VanDerWaalsContact O-CG1 3.24Å; R112-V115 WeakPolarHBondContact O-CG1 3.04Å; R112-V115 PolarHBondContact O-N 3.06Å; R112-V116 VanDerWaalsContact O-CG2 3.23Å; R112-V116 WeakPolarHBondContact O-CG2 3.37Å; R112-V116 PolarHBondContact O-N 2.82Å; R112-V116 VanDerWaalsContact O-N 3.1Å; R112-S189 WeakPolarHBondContact CD-OG 3.31Å; R112-S189 PolarHBondContact NH1-O 2.83Å; R112-S189 PolarHBondContact NH1-OG 3.38Å; R112-I192 PolarHBondContact NH1-O 3.4Å; R112-I192 PolarHBondContact NH2-O 3.14Å; R112-D195 IonicContact CZ-OD1 3.54Å; R112-D195 IonicContact NE-OD1 2.61Å; R112-D195 PolarHBondContact NE-OD1 3.33Å; R112-D195 IonicContact NH2-OD1 3.84Å; R112-D195 PolarHBondContact NH2-OD1 3.02Å; R112-F198 HydrophobicContact CB-CD1 3.79Å; R112-F198 HydrophobicContact CB-CE1 3.75Å; R112-F198 HydrophobicContact CG-CB 4.35Å; R112-F198 HydrophobicContact CG-CD1 3.5Å; R112-F198 HydrophobicContact CG-CE1 4Å; R112-F198 HydrophobicContact CG-CG 4.02Å
113T95.9Very high93.2Very high30 Ų3049.6 Ų49.618%0.18426%0.261CS..Hα-helixtrans-65.1-38179.1-55.10000111.6S109 N110 S111 V116 R117 W178 L182S109-T113 WeakPolarHBondContact O-CB 3.49Å; S109-T113 PolarHBondContact O-N 2.99Å; S109-T113 PolarHBondContact O-OG1 2.84Å; N110-T113 PolarHBondContact O-N 2.86Å; S111-T113 VanDerWaalsContact C-N 3.34Å; S111-T113 PolarHBondContact O-N 3.39Å; T113-V116 PolarHBondContact O-N 2.94Å; T113-R117 WeakPolarHBondContact O-CB 3.26Å; T113-R117 PolarHBondContact O-N 3.16Å; T113-W178 HydrophobicContact CG2-CZ2 4.46Å; T113-L182 HydrophobicContact CG2-CD1 4.33Å
114E96.7Very high93.3Very high106 Ų10649.5 Ų49.550%0.49526%0.258SS..Hα-helixtrans-66.4-44.8178.3-168.5-172.214800112N110 S111 R112 V116 R117 K118N110-E114 WeakPolarHBondContact O-CB 3.47Å; N110-E114 PolarHBondContact O-N 3.31Å; S111-E114 PolarHBondContact O-N 2.97Å; R112-E114 VanDerWaalsContact C-N 3.33Å; R112-E114 PolarHBondContact O-N 3.39Å; E114-V116 VanDerWaalsContact C-N 3.34Å; E114-V116 PolarHBondContact O-N 3.25Å; E114-R117 WeakPolarHBondContact O-CB 3.34Å; E114-R117 PolarHBondContact O-N 3.35Å; E114-K118 WeakPolarHBondContact O-CG 3.23Å; E114-K118 PolarHBondContact O-N 2.92Å; E114-K118 WeakPolarHBondContact OE1-CE 3.38Å; E114-K118 IonicContact OE1-NZ 3.66Å; E114-K118 PolarHBondContact OE1-NZ 3.13Å
115V97.4Very high93.3Very high5 Ų554.7 Ų54.73%0.0328%0.281CS..Hα-helixtrans-67.5-35.4178.171.90000112S111 R112 R117 K118 A119 F198 E199 M202 L208S111-V115 PolarHBondContact O-N 2.93Å; S111-V115 VanDerWaalsContact O-N 3.16Å; R112-V115 VanDerWaalsContact O-CG1 3.24Å; R112-V115 WeakPolarHBondContact O-CG1 3.04Å; R112-V115 PolarHBondContact O-N 3.06Å; V115-R117 VanDerWaalsContact C-N 3.33Å; V115-K118 PolarHBondContact O-N 3.37Å; V115-A119 PolarHBondContact O-N 3.35Å; V115-F198 HydrophobicContact CG1-CD1 4.14Å; V115-F198 HydrophobicContact CG1-CE1 3.93Å; V115-E199 HydrophobicContact CB-CG 4.41Å; V115-E199 HydrophobicContact CG1-CG 4.03Å; V115-M202 HydrophobicContact CB-CB 4.48Å; V115-M202 HydrophobicContact CG1-CB 4.07Å; V115-M202 HydrophobicContact CG1-CG 3.98Å; V115-M202 HydrophobicContact CG2-CB 3.6Å; V115-M202 HydrophobicContact CG2-CG 4.41Å; V115-L208 HydrophobicContact CG2-CD1 3.61Å
116V97.6Very high93.5Very high0 Ų057.3 Ų57.30%030%0.3CS..Hα-helixtrans-63.7-40172.1173.80000110.9M108 R112 T113 E114 A119 F120 W178 F181 L182 Y185 F198 M202M108-V116 HydrophobicContact CE-CG2 4.2Å; R112-V116 VanDerWaalsContact O-CG2 3.23Å; R112-V116 WeakPolarHBondContact O-CG2 3.37Å; R112-V116 PolarHBondContact O-N 2.82Å; R112-V116 VanDerWaalsContact O-N 3.1Å; T113-V116 PolarHBondContact O-N 2.94Å; E114-V116 VanDerWaalsContact C-N 3.34Å; E114-V116 PolarHBondContact O-N 3.25Å; V116-A119 WeakPolarHBondContact O-CB 3.24Å; V116-A119 PolarHBondContact O-N 3.01Å; V116-F120 PolarHBondContact O-N 3.05Å; V116-W178 HydrophobicContact CG1-CH2 4Å; V116-W178 HydrophobicContact CG1-CZ3 4.02Å; V116-F181 HydrophobicContact CG1-CD1 3.8Å; V116-F181 HydrophobicContact CG1-CE1 3.91Å; V116-L182 HydrophobicContact CG1-CD1 4.17Å; V116-Y185 HydrophobicContact CG1-CD2 4.07Å; V116-Y185 HydrophobicContact CG1-CG 4.26Å; V116-Y185 HydrophobicContact CG2-CD2 4.45Å; V116-Y185 HydrophobicContact CG2-CG 3.95Å; V116-F198 HydrophobicContact CG2-CE1 3.85Å; V116-F198 HydrophobicContact CG2-CZ 3.82Å; V116-M202 HydrophobicContact CB-CE 4.38Å; V116-M202 HydrophobicContact CG2-CE 3.86Å
117R97.8Very high94Very high125 Ų12557.3 Ų57.347%0.47231%0.311SS..Hα-helixtrans-64.3-40.7174.6-171.2169.6-65177.51.6112.6T113 E114 V115 A119 F120 N121 W178T113-R117 WeakPolarHBondContact O-CB 3.26Å; T113-R117 PolarHBondContact O-N 3.16Å; E114-R117 WeakPolarHBondContact O-CB 3.34Å; E114-R117 PolarHBondContact O-N 3.35Å; V115-R117 VanDerWaalsContact C-N 3.33Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 2.89Å; R117-F120 PolarHBondContact O-N 2.94Å; R117-N121 WeakPolarHBondContact O-CB 3.46Å; R117-N121 PolarHBondContact O-N 3.45Å; R117-N121 PolarHBondContact O-OD1 2.92Å; R117-W178 HydrophobicContact CB-CH2 3.7Å; R117-W178 HydrophobicContact CB-CZ3 4.06Å; R117-W178 HydrophobicContact CG-CH2 4.24Å; R117-W178 HydrophobicContact CG-CZ3 4.38Å
118K97Very high94.5Very high87 Ų8756 Ų5638%0.37830%0.298SS..Hα-helixtrans-60.7-42.8173.9-72.3173.7-176.3163.80111.5E114 V115 K122 L208E114-K118 WeakPolarHBondContact O-CG 3.23Å; E114-K118 PolarHBondContact O-N 2.92Å; E114-K118 WeakPolarHBondContact OE1-CE 3.38Å; E114-K118 IonicContact OE1-NZ 3.66Å; E114-K118 PolarHBondContact OE1-NZ 3.13Å; V115-K118 PolarHBondContact O-N 3.37Å; K118-K122 WeakPolarHBondContact O-CB 3.04Å; K118-K122 PolarHBondContact O-N 3.41Å; K118-L208 HydrophobicContact CB-CD1 3.89Å; K118-L208 HydrophobicContact CB-CD2 4.08Å
119A96.2Very high94.8Very high0 Ų056.7 Ų56.70%031%0.312CS..Hα-helixtrans-61.8-47.8174.600000112.3V115 V116 R117 K122 M123 F181 M202 Y206 L208V115-A119 PolarHBondContact O-N 3.35Å; V116-A119 WeakPolarHBondContact O-CB 3.24Å; V116-A119 PolarHBondContact O-N 3.01Å; R117-A119 VanDerWaalsContact C-N 3.33Å; R117-A119 PolarHBondContact O-N 2.89Å; A119-K122 WeakPolarHBondContact O-CB 3.32Å; A119-K122 PolarHBondContact O-N 2.6Å; A119-M123 WeakPolarHBondContact O-CG 3.43Å; A119-M123 PolarHBondContact O-N 2.92Å; A119-F181 HydrophobicContact CB-CE1 4.13Å; A119-F181 HydrophobicContact CB-CZ 4.15Å; A119-M202 HydrophobicContact CB-CE 3.63Å; A119-Y206 HydrophobicContact CB-CD1 4.18Å; A119-Y206 HydrophobicContact CB-CD2 3.41Å; A119-Y206 VanDerWaalsContact CB-CD2 3.41Å; A119-Y206 HydrophobicContact CB-CE1 4.47Å; A119-Y206 HydrophobicContact CB-CE2 3.69Å; A119-Y206 HydrophobicContact CB-CG 3.65Å; A119-L208 HydrophobicContact CB-CD1 4.48Å
120F96.7Very high95Very high5 Ų558.8 Ų58.82%0.02232%0.315CS..Hα-helixtrans-58-52177.3-173.7-91.4000111.8V116 R117 K122 M123 D124 G129 I131 W178 F181V116-F120 PolarHBondContact O-N 3.05Å; R117-F120 PolarHBondContact O-N 2.94Å; F120-K122 PolarHBondContact O-N 2.78Å; F120-M123 WeakPolarHBondContact O-CA 3.4Å; F120-M123 WeakPolarHBondContact O-CB 3.3Å; F120-M123 PolarHBondContact O-N 3.38Å; F120-D124 HydrophobicContact CD1-CB 4.46Å; F120-D124 HydrophobicContact CE1-CB 4.2Å; F120-D124 PolarHBondContact O-N 3.45Å; F120-G129 WeakPolarHBondContact CZ-O 3.45Å; F120-I131 HydrophobicContact CD2-CD1 3.48Å; F120-I131 VanDerWaalsContact CD2-CD1 3.48Å; F120-I131 HydrophobicContact CD2-CG1 4.13Å; F120-I131 HydrophobicContact CE2-CD1 3.55Å; F120-I131 HydrophobicContact CE2-CG1 3.78Å; F120-I131 HydrophobicContact CG-CD1 4.22Å; F120-I131 HydrophobicContact CZ-CD1 4.32Å; F120-I131 HydrophobicContact CZ-CG1 4.09Å; F120-W178 HydrophobicContact CB-CE3 3.79Å; F120-W178 HydrophobicContact CB-CZ3 3.71Å; F120-W178 AromaticContact CD1-CE3 4Å; F120-W178 HydrophobicContact CD1-CE3 4Å; F120-W178 AromaticContact CD2-CE3 3.91Å; F120-W178 HydrophobicContact CD2-CE3 3.91Å; F120-W178 HydrophobicContact CE1-CB 4.33Å; F120-W178 HydrophobicContact CE2-CB 4.3Å; F120-W178 AromaticContact CG-CE3 3.61Å; F120-W178 HydrophobicContact CG-CE3 3.61Å; F120-W178 HydrophobicContact CG-CZ3 4.08Å; F120-W178 HydrophobicContact CZ-CB 4.05Å; F120-F181 HydrophobicContact CB-CD1 3.91Å; F120-F181 HydrophobicContact CB-CE1 3.94Å; F120-F181 HydrophobicContact CD2-CB 3.58Å; F120-F181 AromaticContact CD2-CD1 3.77Å; F120-F181 HydrophobicContact CD2-CD1 3.77Å; F120-F181 HydrophobicContact CD2-CD2 4.1Å; F120-F181 HydrophobicContact CD2-CE1 4.42Å; F120-F181 AromaticContact CD2-CG 3.56Å; F120-F181 HydrophobicContact CD2-CG 3.56Å; F120-F181 HydrophobicContact CE2-CB 3.91Å; F120-F181 HydrophobicContact CE2-CG 4.31Å; F120-F181 HydrophobicContact CG-CD1 4.34Å
121N95.2Very high95.2Very high98 Ų9851.8 Ų51.852%0.52428%0.278SS..Hα-helixtrans-63.6-28179.6-67.10.5000112.9R117 M123R117-N121 WeakPolarHBondContact O-CB 3.46Å; R117-N121 PolarHBondContact O-N 3.45Å; R117-N121 PolarHBondContact O-OD1 2.92Å; N121-M123 VanDerWaalsContact C-N 3.31Å
122K93.8Very high95.2Very high75 Ų7550.7 Ų50.733%0.32627%0.269SS..Hα-helixtrans-69.2-35.4174.7179.7170.2-177.5175.80111.3K118 A119 F120 K125 Y206 G207 L208K118-K122 WeakPolarHBondContact O-CB 3.04Å; K118-K122 PolarHBondContact O-N 3.41Å; A119-K122 WeakPolarHBondContact O-CB 3.32Å; A119-K122 PolarHBondContact O-N 2.6Å; F120-K122 PolarHBondContact O-N 2.78Å; K122-K125 VanDerWaalsContact O-CE 3.3Å; K122-K125 WeakPolarHBondContact O-CE 3.24Å; K122-K125 PolarHBondContact O-NZ 2.92Å; K122-Y206 WeakPolarHBondContact CD-O 3.41Å; K122-Y206 VanDerWaalsContact CE-O 3.29Å; K122-Y206 WeakPolarHBondContact CE-O 3.39Å; K122-Y206 PolarHBondContact NZ-O 2.8Å; K122-G207 PolarHBondContact NZ-O 3.32Å; K122-L208 HydrophobicContact CB-CD2 4.25Å; K122-L208 HydrophobicContact CD-CD2 3.9Å
123M92.9Very high95.1Very high4 Ų450.7 Ų50.72%0.0227%0.27CS..Hα-helixtrans-79.5-45.5-179.9-67.6176.77300112A119 F120 N121 K125 I131 D135 L136 F162 F181 Y206A119-M123 WeakPolarHBondContact O-CG 3.43Å; A119-M123 PolarHBondContact O-N 2.92Å; F120-M123 WeakPolarHBondContact O-CA 3.4Å; F120-M123 WeakPolarHBondContact O-CB 3.3Å; F120-M123 PolarHBondContact O-N 3.38Å; N121-M123 VanDerWaalsContact C-N 3.31Å; M123-K125 PolarHBondContact O-N 3.37Å; M123-I131 HydrophobicContact CB-CD1 3.58Å; M123-I131 HydrophobicContact CB-CG1 3.96Å; M123-I131 HydrophobicContact CB-CG2 4.26Å; M123-I131 HydrophobicContact CE-CD1 4.06Å; M123-I131 HydrophobicContact CE-CG2 4.18Å; M123-I131 HydrophobicContact CG-CD1 4.4Å; M123-I131 HydrophobicContact SD-CD1 3.97Å; M123-D135 WeakPolarHBondContact O-CB 3.19Å; M123-L136 HydrophobicContact CE-CD2 3.47Å; M123-L136 VanDerWaalsContact CE-CD2 3.47Å; M123-F162 HydrophobicContact CE-CE1 3.5Å; M123-F162 HydrophobicContact CE-CZ 3.93Å; M123-F181 HydrophobicContact CE-CE2 4.3Å; M123-F181 HydrophobicContact SD-CE2 3.52Å; M123-F181 VanDerWaalsContact SD-CE2 3.52Å; M123-F181 HydrophobicContact SD-CZ 3.77Å; M123-Y206 HydrophobicContact CE-CE1 4.39Å; M123-Y206 HydrophobicContact CG-CD1 4.28Å; M123-Y206 HydrophobicContact CG-CE1 4.08Å; M123-Y206 HydrophobicContact SD-CD1 4.03Å; M123-Y206 HydrophobicContact SD-CE1 3.26Å; M123-Y206 WeakPolarHBondContact SD-CE1 3.43Å
124D95.3Very high94.9Very high13 Ų1353.9 Ų53.97%0.0729%0.286CS..  trans-68.191.4174.3176.68.6000110F120 T126 G127 D128 G129 I131F120-D124 HydrophobicContact CD1-CB 4.46Å; F120-D124 HydrophobicContact CE1-CB 4.2Å; F120-D124 PolarHBondContact O-N 3.45Å; D124-T126 PolarHBondContact OD1-OG1 3.5Å; D124-G127 WeakPolarHBondContact OD1-CA 3.36Å; D124-G127 PolarHBondContact OD1-N 2.87Å; D124-G127 WeakPolarHBondContact OD2-CA 3.26Å; D124-D128 PolarHBondContact OD1-N 2.95Å; D124-D128 PolarHBondContact OD2-N 3.2Å; D124-G129 VanDerWaalsContact OD2-CA 3.3Å; D124-G129 WeakPolarHBondContact OD2-CA 3.33Å; D124-G129 PolarHBondContact OD2-N 3.47Å; D124-I131 HydrophobicContact CB-CG1 4.16Å
125K92.1Very high94.7Very high110 Ų11048.8 Ų48.848%0.47826%0.262SS..SBendtrans-79.4-32-177.2-71.4-55.8-175.6-158.20112.1K122 M123 G127 D135 V139K122-K125 VanDerWaalsContact O-CE 3.3Å; K122-K125 WeakPolarHBondContact O-CE 3.24Å; K122-K125 PolarHBondContact O-NZ 2.92Å; M123-K125 PolarHBondContact O-N 3.37Å; K125-G127 VanDerWaalsContact C-N 3.26Å; K125-D135 WeakPolarHBondContact CA-OD1 3.36Å; K125-D135 PolarHBondContact N-OD1 3.17Å; K125-V139 HydrophobicContact CD-CG2 4.26Å; K125-V139 HydrophobicContact CG-CG2 4.04Å
126T92.3Very high94.3Very high87 Ų8748.6 Ų48.653%0.53426%0.261SS..SBendtrans-71-27.4176.765.40000111.5D124 D128 D135D124-T126 PolarHBondContact OD1-OG1 3.5Å; T126-D128 VanDerWaalsContact C-N 3.3Å; T126-D128 VanDerWaalsContact OG1-CG 3.22Å; T126-D128 PolarHBondContact OG1-OD1 3.4Å; T126-D135 VanDerWaalsContact CG2-OD1 3.31Å; T126-D135 WeakPolarHBondContact CG2-OD1 3.32Å; T126-D135 PolarHBondContact N-OD1 2.83Å; T126-D135 PolarHBondContact OG1-OD1 3.49Å
127G93.2Very high93.9Very high60 Ų6053 Ų5362%0.61928%0.278SS*.  trans74.520.4-178.100000113D124 K125 G129D124-G127 WeakPolarHBondContact OD1-CA 3.36Å; D124-G127 PolarHBondContact OD1-N 2.87Å; D124-G127 WeakPolarHBondContact OD2-CA 3.26Å; K125-G127 VanDerWaalsContact C-N 3.26Å; G127-G129 VanDerWaalsContact C-N 3.33Å
128D94.7Very high93Very high87 Ų8753.4 Ų53.447%0.46529%0.289SS..SBendtrans-91.23.8-175.877.3-3.9000113.5D124 T126 K130D124-D128 PolarHBondContact OD1-N 2.95Å; D124-D128 PolarHBondContact OD2-N 3.2Å; T126-D128 VanDerWaalsContact C-N 3.3Å; T126-D128 VanDerWaalsContact OG1-CG 3.22Å; T126-D128 PolarHBondContact OG1-OD1 3.4Å; D128-K130 WeakPolarHBondContact OD1-CG 3.32Å; D128-K130 PolarHBondContact OD1-N 2.83Å; D128-K130 WeakPolarHBondContact OD2-CE 3.45Å; D128-K130 IonicContact OD2-NZ 2.63Å
129G95.1Very high92.3Very high40 Ų4051.7 Ų51.741%0.41229%0.286SS..SBendtrans89.712.417400000114.4F120 D124 G127F120-G129 WeakPolarHBondContact CZ-O 3.45Å; D124-G129 VanDerWaalsContact OD2-CA 3.3Å; D124-G129 WeakPolarHBondContact OD2-CA 3.33Å; D124-G129 PolarHBondContact OD2-N 3.47Å; G127-G129 VanDerWaalsContact C-N 3.33Å
130K95.3Very high91.6Very high88 Ų8855.3 Ų55.338%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-144.3150.8178.647.8-179.4176-179.40110D128 V175 V176D128-K130 WeakPolarHBondContact OD1-CG 3.32Å; D128-K130 PolarHBondContact OD1-N 2.83Å; D128-K130 WeakPolarHBondContact OD2-CE 3.45Å; D128-K130 IonicContact OD2-NZ 2.63Å; K130-V175 HydrophobicContact CB-CG1 3.68Å; K130-V175 HydrophobicContact CD-CG1 3.7Å; K130-V175 HydrophobicContact CG-CG1 4.13Å; K130-V176 WeakPolarHBondContact CA-O 3.25Å
131I94.8Very high91Very high1 Ų160.5 Ų60.51%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-105.3120178.8-58164.5000108.1F120 M123 D124 D135 L136 L163 V176 F181F120-I131 HydrophobicContact CD2-CD1 3.48Å; F120-I131 VanDerWaalsContact CD2-CD1 3.48Å; F120-I131 HydrophobicContact CD2-CG1 4.13Å; F120-I131 HydrophobicContact CE2-CD1 3.55Å; F120-I131 HydrophobicContact CE2-CG1 3.78Å; F120-I131 HydrophobicContact CG-CD1 4.22Å; F120-I131 HydrophobicContact CZ-CD1 4.32Å; F120-I131 HydrophobicContact CZ-CG1 4.09Å; M123-I131 HydrophobicContact CB-CD1 3.58Å; M123-I131 HydrophobicContact CB-CG1 3.96Å; M123-I131 HydrophobicContact CB-CG2 4.26Å; M123-I131 HydrophobicContact CE-CD1 4.06Å; M123-I131 HydrophobicContact CE-CG2 4.18Å; M123-I131 HydrophobicContact CG-CD1 4.4Å; M123-I131 HydrophobicContact SD-CD1 3.97Å; D124-I131 HydrophobicContact CB-CG1 4.16Å; I131-D135 HydrophobicContact CG2-CB 4.3Å; I131-L136 HydrophobicContact CG2-CD2 3.81Å; I131-L136 HydrophobicContact CG2-CG 4.05Å; I131-L163 HydrophobicContact CG2-CD2 3.9Å; I131-V176 HydrophobicContact CB-CB 4.24Å; I131-V176 PolarHBondContact N-O 3.11Å; I131-V176 PolarHBondContact O-N 3.3Å; I131-F181 HydrophobicContact CD1-CD2 3.97Å; I131-F181 HydrophobicContact CD1-CE2 4.11Å
132T94.5Very high90.6Very high27 Ų2756.3 Ų56.317%0.16630%0.302CS..  trans-113.3176.5179.269.60000111.4D134 D135 L136 V175T132-D134 PolarHBondContact O-N 3.16Å; T132-D134 PolarHBondContact OG1-N 2.94Å; T132-D135 WeakPolarHBondContact CB-OD2 3.49Å; T132-D135 PolarHBondContact N-OD2 2.86Å; T132-D135 WeakPolarHBondContact O-CB 3.16Å; T132-D135 PolarHBondContact O-N 3.45Å; T132-D135 PolarHBondContact OG1-OD2 3.48Å; T132-L136 PolarHBondContact O-N 3.3Å; T132-V175 HydrophobicContact CG2-CG1 4.41Å; T132-V175 HydrophobicContact CG2-CG2 4.36Å
133L92.5Very high90.3Very high16 Ų1658.4 Ų58.48%0.08431%0.311CS..Hα-helixtrans-58.7-37.4172.2-69.7170.4000112.6D135 L136 R137 L159 R160 L163L133-D135 VanDerWaalsContact C-N 3.31Å; L133-D135 PolarHBondContact O-N 3.27Å; L133-L136 PolarHBondContact O-N 3.35Å; L133-R137 WeakPolarHBondContact O-CG 3.45Å; L133-R137 PolarHBondContact O-N 2.73Å; L133-L159 HydrophobicContact CD2-CB 3.43Å; L133-L159 VanDerWaalsContact CD2-CB 3.43Å; L133-R160 HydrophobicContact CD1-CG 3.72Å; L133-R160 HydrophobicContact CD2-CB 4.45Å; L133-R160 HydrophobicContact CD2-CG 3.7Å; L133-R160 HydrophobicContact CG-CG 4.25Å; L133-L163 HydrophobicContact CD2-CD1 3.64Å; L133-L163 HydrophobicContact CG-CD1 3.83Å
134D92.1Very high90Very high97 Ų9766 Ų6652%0.51934%0.341SS..Hα-helixtrans-65.2-37.3-179.9-73.4-42.8000112T132 R137 N138T132-D134 PolarHBondContact O-N 3.16Å; T132-D134 PolarHBondContact OG1-N 2.94Å; D134-R137 IonicContact OD1-CZ 3.2Å; D134-R137 IonicContact OD1-NH1 2.73Å; D134-R137 PolarHBondContact OD1-NH1 2.5Å; D134-N138 PolarHBondContact O-ND2 2.74Å
135D92.3Very high89.7Confident0 Ų067.1 Ų67.10%035%0.347CS..Hα-helixtrans-62.8-45.5173.4-64.9-66.7000111.4M123 K125 T126 I131 T132 L133 N138M123-D135 WeakPolarHBondContact O-CB 3.19Å; K125-D135 WeakPolarHBondContact CA-OD1 3.36Å; K125-D135 PolarHBondContact N-OD1 3.17Å; T126-D135 VanDerWaalsContact CG2-OD1 3.31Å; T126-D135 WeakPolarHBondContact CG2-OD1 3.32Å; T126-D135 PolarHBondContact N-OD1 2.83Å; T126-D135 PolarHBondContact OG1-OD1 3.49Å; I131-D135 HydrophobicContact CG2-CB 4.3Å; T132-D135 WeakPolarHBondContact CB-OD2 3.49Å; T132-D135 PolarHBondContact N-OD2 2.86Å; T132-D135 WeakPolarHBondContact O-CB 3.16Å; T132-D135 PolarHBondContact O-N 3.45Å; T132-D135 PolarHBondContact OG1-OD2 3.48Å; L133-D135 VanDerWaalsContact C-N 3.31Å; L133-D135 PolarHBondContact O-N 3.27Å; D135-N138 PolarHBondContact O-N 2.98Å
136L89.6Confident89.8Confident1 Ų165.4 Ų65.41%0.00535%0.353CS..Hα-helixtrans-70.4-31.9-176.5-68.2-172.3000114.5M123 I131 T132 L133 N138 V139 Y140 L159 F162 L163M123-L136 HydrophobicContact CE-CD2 3.47Å; M123-L136 VanDerWaalsContact CE-CD2 3.47Å; I131-L136 HydrophobicContact CG2-CD2 3.81Å; I131-L136 HydrophobicContact CG2-CG 4.05Å; T132-L136 PolarHBondContact O-N 3.3Å; L133-L136 PolarHBondContact O-N 3.35Å; L136-N138 PolarHBondContact O-N 2.64Å; L136-V139 PolarHBondContact O-N 2.83Å; L136-Y140 WeakPolarHBondContact O-CB 3.5Å; L136-Y140 PolarHBondContact O-N 2.8Å; L136-L159 HydrophobicContact CB-CD1 4.42Å; L136-L159 HydrophobicContact CB-CD2 4.04Å; L136-L159 HydrophobicContact CD1-CB 4.5Å; L136-L159 HydrophobicContact CD1-CD2 4.46Å; L136-F162 HydrophobicContact CD1-CD1 3.54Å; L136-F162 HydrophobicContact CD1-CE1 4.03Å; L136-F162 HydrophobicContact CD2-CD1 4.33Å; L136-F162 HydrophobicContact CD2-CE1 3.98Å; L136-L163 HydrophobicContact CD1-CD1 4.11Å; L136-L163 HydrophobicContact CD1-CD2 3.43Å; L136-L163 VanDerWaalsContact CD1-CD2 3.43Å; L136-L163 HydrophobicContact CD1-CG 3.5Å; L136-L163 HydrophobicContact CG-CD2 4.09Å
137R88.5Confident89.8Confident92 Ų9265.5 Ų65.535%0.34735%0.346SS..Hα-helixtrans-53.1-30178.7-78.8174.6-178.8141.7-1.7112.7L133 D134 D156 L159L133-R137 WeakPolarHBondContact O-CG 3.45Å; L133-R137 PolarHBondContact O-N 2.73Å; D134-R137 IonicContact OD1-CZ 3.2Å; D134-R137 IonicContact OD1-NH1 2.73Å; D134-R137 PolarHBondContact OD1-NH1 2.5Å; R137-D156 IonicContact CZ-OD1 3.78Å; R137-D156 IonicContact NE-OD1 2.74Å; R137-D156 VanDerWaalsContact NH2-CG 3.3Å; R137-D156 IonicContact NH2-OD1 3.57Å; R137-D156 PolarHBondContact NH2-OD1 3.46Å; R137-D156 IonicContact NH2-OD2 2.95Å; R137-D156 PolarHBondContact NH2-OD2 2.71Å; R137-L159 HydrophobicContact CB-CD1 4.49Å; R137-L159 HydrophobicContact CG-CD1 3.58Å
138N79.2Confident89.8Confident133 Ų13367.2 Ų67.271%0.71134%0.335SS*.THydrogen-bonded Turntrans-93.7-5.7-179.6-63.8-61000114.2D134 D135 L136D134-N138 PolarHBondContact O-ND2 2.74Å; D135-N138 PolarHBondContact O-N 2.98Å; L136-N138 PolarHBondContact O-N 2.64Å
139V83Confident89.7Confident51 Ų5168.7 Ų68.731%0.30934%0.341SS..THydrogen-bonded Turntrans-116.7-41.1-173.6-178.70000111.7K125 L136K125-V139 HydrophobicContact CD-CG2 4.26Å; K125-V139 HydrophobicContact CG-CG2 4.04Å; L136-V139 PolarHBondContact O-N 2.83Å
140Y81.5Confident89.7Confident76 Ų7669.5 Ų69.530%0.29834%0.341SS..  trans-93.8128.2-171.1-164.4-82.8000111.3L136 V142 V158 L159 F162L136-Y140 WeakPolarHBondContact O-CB 3.5Å; L136-Y140 PolarHBondContact O-N 2.8Å; Y140-V142 HydrophobicContact CD1-CB 4.48Å; Y140-V142 HydrophobicContact CD1-CG1 3.64Å; Y140-V142 HydrophobicContact CE1-CG1 4.09Å; Y140-V142 PolarHBondContact O-N 3.32Å; Y140-V158 HydrophobicContact CE1-CG1 4.07Å; Y140-L159 HydrophobicContact CD1-CD2 3.8Å; Y140-L159 HydrophobicContact CG-CD2 3.89Å; Y140-F162 HydrophobicContact CD2-CD1 4.49Å; Y140-F162 HydrophobicContact CD2-CD2 4.31Å; Y140-F162 HydrophobicContact CD2-CE2 4.35Å; Y140-F162 HydrophobicContact CD2-CG 4.36Å; Y140-F162 HydrophobicContact CD2-CZ 4.45Å; Y140-F162 AromaticContact CE2-CD2 3.71Å; Y140-F162 HydrophobicContact CE2-CD2 3.71Å; Y140-F162 AromaticContact CE2-CE2 3.92Å; Y140-F162 HydrophobicContact CE2-CE2 3.92Å; Y140-F162 HydrophobicContact CE2-CG 4.08Å; Y140-F162 HydrophobicContact CE2-CZ 4.46Å
141Q84Confident89.5Confident114 Ų11468.5 Ų68.553%0.53336%0.356SS..  trans-92.977.7-178.9-61.2-16923.900111.2K143 Y144Q141-K143 HydrophobicContact CB-CG 4.42Å; Q141-K143 PolarHBondContact O-N 2.98Å; Q141-K143 VanDerWaalsContact OE1-CE 3.26Å; Q141-Y144 HydrophobicContact CB-CD2 3.95Å; Q141-Y144 HydrophobicContact CB-CE2 4.25Å; Q141-Y144 PolarHBondContact O-N 3.04Å
142V85.8Confident89.5Confident11 Ų1178.5 Ų78.57%0.06739%0.393CS..G310 helixtrans-56.1-22.5-179.2-65.20000114.1Y140 Y144 D145 Y148 E155 V158 L159Y140-V142 HydrophobicContact CD1-CB 4.48Å; Y140-V142 HydrophobicContact CD1-CG1 3.64Å; Y140-V142 HydrophobicContact CE1-CG1 4.09Å; Y140-V142 PolarHBondContact O-N 3.32Å; V142-Y144 PolarHBondContact O-N 3.33Å; V142-D145 WeakPolarHBondContact O-CB 3.46Å; V142-D145 PolarHBondContact O-N 3.1Å; V142-Y148 HydrophobicContact CB-CG 4.44Å; V142-Y148 HydrophobicContact CG2-CD1 4.49Å; V142-Y148 HydrophobicContact CG2-CE1 4.41Å; V142-Y148 WeakPolarHBondContact O-CB 3.32Å; V142-Y148 WeakPolarHBondContact O-CD1 3.3Å; V142-E155 HydrophobicContact CG1-CG 4.08Å; V142-E155 HydrophobicContact CG2-CB 4.22Å; V142-E155 HydrophobicContact CG2-CG 3.89Å; V142-V158 HydrophobicContact CG1-CB 4.28Å; V142-V158 HydrophobicContact CG1-CG1 3.98Å; V142-L159 HydrophobicContact CG1-CD2 3.64Å; V142-L159 HydrophobicContact CG1-CG 3.98Å
143K87.8Confident89.5Confident118 Ų11877.7 Ų77.751%0.51339%0.389SS..G310 helixtrans-58.4-17.6177.668.7-177.3-179.9179.40114.7Q141 I149Q141-K143 HydrophobicContact CB-CG 4.42Å; Q141-K143 PolarHBondContact O-N 2.98Å; Q141-K143 VanDerWaalsContact OE1-CE 3.26Å; K143-I149 WeakPolarHBondContact O-CG1 3.49Å
144Y86.9Confident89.6Confident164 Ų16480.6 Ų80.664%0.64341%0.408SS*.G310 helixtrans-101.5-3176.2-57.7-52.9000113.5Q141 V142Q141-Y144 HydrophobicContact CB-CD2 3.95Å; Q141-Y144 HydrophobicContact CB-CE2 4.25Å; Q141-Y144 PolarHBondContact O-N 3.04Å; V142-Y144 PolarHBondContact O-N 3.33Å
145D89.5Confident89.6Confident36 Ų3679.3 Ų79.319%0.19340%0.399CS..  trans-75.6132.3177.1-174.8-81.5000111.1V142 K147 Y148 I149 V158V142-D145 WeakPolarHBondContact O-CB 3.46Å; V142-D145 PolarHBondContact O-N 3.1Å; D145-K147 VanDerWaalsContact C-N 3.33Å; D145-K147 PolarHBondContact O-N 3.45Å; D145-K147 WeakPolarHBondContact OD1-CA 3.46Å; D145-K147 VanDerWaalsContact OD1-CB 3.31Å; D145-K147 WeakPolarHBondContact OD1-CB 3.32Å; D145-K147 PolarHBondContact OD1-N 2.78Å; D145-Y148 PolarHBondContact O-N 3.27Å; D145-Y148 PolarHBondContact OD1-N 2.9Å; D145-I149 VanDerWaalsContact O-CG1 3.25Å; D145-I149 WeakPolarHBondContact O-CG1 3.12Å; D145-I149 PolarHBondContact O-N 3.11Å; D145-V158 HydrophobicContact CB-CG1 3.9Å; D145-V158 HydrophobicContact CB-CG2 4.41Å
146A92.7Very high89.6Confident74 Ų7482 Ų8261%0.61241%0.413SS*.Hα-helixtrans-64.5-33.3-175.500000113.6S150A146-S150 WeakPolarHBondContact O-CB 3.22Å; A146-S150 PolarHBondContact O-N 3.49Å; A146-S150 PolarHBondContact O-OG 3.41Å
147K92.7Very high89.8Confident89 Ų8986.7 Ų86.739%0.38744%0.435SS..Hα-helixtrans-73.4-36.9178.2-61.9178.2179173.70110.9D145 S150 G151 R152 A153 E161D145-K147 VanDerWaalsContact C-N 3.33Å; D145-K147 PolarHBondContact O-N 3.45Å; D145-K147 WeakPolarHBondContact OD1-CA 3.46Å; D145-K147 VanDerWaalsContact OD1-CB 3.31Å; D145-K147 WeakPolarHBondContact OD1-CB 3.32Å; D145-K147 PolarHBondContact OD1-N 2.78Å; K147-S150 PolarHBondContact O-OG 3.11Å; K147-G151 PolarHBondContact O-N 2.85Å; K147-R152 PolarHBondContact O-N 2.89Å; K147-A153 HydrophobicContact CB-CB 3.66Å; K147-A153 PolarHBondContact O-N 3.14Å; K147-A153 VanDerWaalsContact O-N 3.11Å; K147-E161 IonicContact NZ-OE1 3.2Å; K147-E161 PolarHBondContact NZ-OE1 3.43Å; K147-E161 IonicContact NZ-OE2 2.83Å; K147-E161 PolarHBondContact NZ-OE2 3.28Å
148Y92.6Very high90Very high96 Ų9682.5 Ų82.538%0.37642%0.42SS..Hα-helixtrans-66.4-49.4173-173.4-103.4000111.6V142 D145 S150 G151 E155V142-Y148 HydrophobicContact CB-CG 4.44Å; V142-Y148 HydrophobicContact CG2-CD1 4.49Å; V142-Y148 HydrophobicContact CG2-CE1 4.41Å; V142-Y148 WeakPolarHBondContact O-CB 3.32Å; V142-Y148 WeakPolarHBondContact O-CD1 3.3Å; D145-Y148 PolarHBondContact O-N 3.27Å; D145-Y148 PolarHBondContact OD1-N 2.9Å; Y148-S150 VanDerWaalsContact C-N 3.27Å; Y148-S150 PolarHBondContact O-N 3.09Å; Y148-G151 PolarHBondContact O-N 3.42Å; Y148-E155 HydrophobicContact CE2-CB 4.08Å
149I93.4Very high90.6Very high118 Ų11876.2 Ų76.261%0.60539%0.386SS*.Hα-helixtrans-58.2-40.2178.9-67.8164.5000111.5K143 D145 G151K143-I149 WeakPolarHBondContact O-CG1 3.49Å; D145-I149 VanDerWaalsContact O-CG1 3.25Å; D145-I149 WeakPolarHBondContact O-CG1 3.12Å; D145-I149 PolarHBondContact O-N 3.11Å; I149-G151 PolarHBondContact O-N 3.43Å
150S94.4Very high91.1Very high58 Ų5879.9 Ų79.941%0.40639%0.394SS..THydrogen-bonded Turntrans-79.1-1.6179.659.10000114.4A146 K147 Y148 R152A146-S150 WeakPolarHBondContact O-CB 3.22Å; A146-S150 PolarHBondContact O-N 3.49Å; A146-S150 PolarHBondContact O-OG 3.41Å; K147-S150 PolarHBondContact O-OG 3.11Å; Y148-S150 VanDerWaalsContact C-N 3.27Å; Y148-S150 PolarHBondContact O-N 3.09Å; S150-R152 PolarHBondContact O-N 3.43Å; S150-R152 WeakPolarHBondContact OG-CG 3.41Å
151G92.5Very high91.5Very high67 Ų6780.4 Ų80.469%0.69140%0.399SS*.THydrogen-bonded Turntrans69.312.5-176.500000114.3K147 Y148 I149K147-G151 PolarHBondContact O-N 2.85Å; Y148-G151 PolarHBondContact O-N 3.42Å; I149-G151 PolarHBondContact O-N 3.43Å
152R95Very high91.8Very high211 Ų21177.2 Ų77.280%0.79638%0.384SS*.SBendtrans-83-18.4180-65.1-178.4-164.3163.45.6113K147 S150K147-R152 PolarHBondContact O-N 2.89Å; S150-R152 PolarHBondContact O-N 3.43Å; S150-R152 WeakPolarHBondContact OG-CG 3.41Å
153A93.7Very high92.1Very high10 Ų1076.7 Ų76.78%0.08338%0.381CS..SBendtrans-137.9143.9176.200000111K147 Q157 V158K147-A153 HydrophobicContact CB-CB 3.66Å; K147-A153 PolarHBondContact O-N 3.14Å; K147-A153 VanDerWaalsContact O-N 3.11Å; A153-Q157 VanDerWaalsContact CA-OE1 3.24Å; A153-Q157 HydrophobicContact CB-CB 4.05Å; A153-V158 HydrophobicContact CB-CG2 3.83Å
154T94.1Very high92.3Very high77 Ų7777.1 Ų77.147%0.47238%0.383SS..  trans-75.1164.8167.866.60000110.8D156 Q157 V158T154-D156 VanDerWaalsContact C-N 3.31Å; T154-D156 PolarHBondContact O-N 2.9Å; T154-Q157 PolarHBondContact O-N 2.61Å; T154-Q157 VanDerWaalsContact O-N 3.13Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.08Å; T154-Q157 PolarHBondContact OG1-N 3.44Å; T154-V158 PolarHBondContact O-N 3.18Å
155E92.4Very high92.5Very high69 Ų6972.7 Ų72.732%0.32237%0.372SS..Hα-helixtrans-51.4-51.1171.9171.3169.2-159.200111.1V142 Y148 Q157 V158 L159V142-E155 HydrophobicContact CG1-CG 4.08Å; V142-E155 HydrophobicContact CG2-CB 4.22Å; V142-E155 HydrophobicContact CG2-CG 3.89Å; Y148-E155 HydrophobicContact CE2-CB 4.08Å; E155-Q157 VanDerWaalsContact C-N 3.28Å; E155-Q157 PolarHBondContact O-N 3.5Å; E155-V158 PolarHBondContact O-N 2.88Å; E155-V158 VanDerWaalsContact O-N 3.15Å; E155-L159 HydrophobicContact CG-CD1 3.95Å; E155-L159 HydrophobicContact CG-CG 4.34Å; E155-L159 WeakPolarHBondContact O-CG 3.38Å; E155-L159 PolarHBondContact O-N 3.24Å
156D92.6Very high92.6Very high57 Ų5771.4 Ų71.431%0.30537%0.365SS..Hα-helixtrans-58.1-37.7178-78.911.4000113.1R137 T154 R160R137-D156 IonicContact CZ-OD1 3.78Å; R137-D156 IonicContact NE-OD1 2.74Å; R137-D156 VanDerWaalsContact NH2-CG 3.3Å; R137-D156 IonicContact NH2-OD1 3.57Å; R137-D156 PolarHBondContact NH2-OD1 3.46Å; R137-D156 IonicContact NH2-OD2 2.95Å; R137-D156 PolarHBondContact NH2-OD2 2.71Å; T154-D156 VanDerWaalsContact C-N 3.31Å; T154-D156 PolarHBondContact O-N 2.9Å; D156-R160 VanDerWaalsContact O-CB 3.32Å; D156-R160 WeakPolarHBondContact O-CB 3.48Å; D156-R160 WeakPolarHBondContact O-CG 3.42Å; D156-R160 PolarHBondContact O-N 3.4Å
157Q93Very high92.5Very high100 Ų10068.8 Ų68.847%0.46734%0.34SS..Hα-helixtrans-67.4-43.1177.4-75.6170.6-27.100111.6A153 T154 E155 R160 E161A153-Q157 VanDerWaalsContact CA-OE1 3.24Å; A153-Q157 HydrophobicContact CB-CB 4.05Å; T154-Q157 PolarHBondContact O-N 2.61Å; T154-Q157 VanDerWaalsContact O-N 3.13Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.08Å; T154-Q157 PolarHBondContact OG1-N 3.44Å; E155-Q157 VanDerWaalsContact C-N 3.28Å; E155-Q157 PolarHBondContact O-N 3.5Å; Q157-R160 PolarHBondContact O-N 2.93Å; Q157-E161 WeakPolarHBondContact O-CB 3.23Å; Q157-E161 WeakPolarHBondContact O-CG 3.36Å; Q157-E161 PolarHBondContact O-N 3.25Å
158V93Very high91.8Very high4 Ų466.8 Ų66.82%0.02433%0.334CS..Hα-helixtrans-62.9-45.3176.2173.20000111Y140 V142 D145 A153 T154 E155 E161 F162Y140-V158 HydrophobicContact CE1-CG1 4.07Å; V142-V158 HydrophobicContact CG1-CB 4.28Å; V142-V158 HydrophobicContact CG1-CG1 3.98Å; D145-V158 HydrophobicContact CB-CG1 3.9Å; D145-V158 HydrophobicContact CB-CG2 4.41Å; A153-V158 HydrophobicContact CB-CG2 3.83Å; T154-V158 PolarHBondContact O-N 3.18Å; E155-V158 PolarHBondContact O-N 2.88Å; E155-V158 VanDerWaalsContact O-N 3.15Å; V158-E161 PolarHBondContact O-N 3.4Å; V158-F162 PolarHBondContact O-N 3.39Å
159L92.6Very high90.8Very high0 Ų071.1 Ų71.10%036%0.358CS..Hα-helixtrans-65.9-39.3179.2-64.2-178.1000112.1L133 L136 R137 Y140 V142 E155 F162 L163L133-L159 HydrophobicContact CD2-CB 3.43Å; L133-L159 VanDerWaalsContact CD2-CB 3.43Å; L136-L159 HydrophobicContact CB-CD1 4.42Å; L136-L159 HydrophobicContact CB-CD2 4.04Å; L136-L159 HydrophobicContact CD1-CB 4.5Å; L136-L159 HydrophobicContact CD1-CD2 4.46Å; R137-L159 HydrophobicContact CB-CD1 4.49Å; R137-L159 HydrophobicContact CG-CD1 3.58Å; Y140-L159 HydrophobicContact CD1-CD2 3.8Å; Y140-L159 HydrophobicContact CG-CD2 3.89Å; V142-L159 HydrophobicContact CG1-CD2 3.64Å; V142-L159 HydrophobicContact CG1-CG 3.98Å; E155-L159 HydrophobicContact CG-CD1 3.95Å; E155-L159 HydrophobicContact CG-CG 4.34Å; E155-L159 WeakPolarHBondContact O-CG 3.38Å; E155-L159 PolarHBondContact O-N 3.24Å; L159-F162 PolarHBondContact O-N 3.3Å; L159-L163 PolarHBondContact O-N 3.09Å
160R92.2Very high89.7Confident128 Ų12872 Ų7248%0.48336%0.357SS..Hα-helixtrans-64.8-42.6174.4-76.5179.1-169.2-78.5-0.9112.2L133 D156 Q157 F162 L163 K164L133-R160 HydrophobicContact CD1-CG 3.72Å; L133-R160 HydrophobicContact CD2-CB 4.45Å; L133-R160 HydrophobicContact CD2-CG 3.7Å; L133-R160 HydrophobicContact CG-CG 4.25Å; D156-R160 VanDerWaalsContact O-CB 3.32Å; D156-R160 WeakPolarHBondContact O-CB 3.48Å; D156-R160 WeakPolarHBondContact O-CG 3.42Å; D156-R160 PolarHBondContact O-N 3.4Å; Q157-R160 PolarHBondContact O-N 2.93Å; R160-F162 PolarHBondContact O-N 3.39Å; R160-L163 PolarHBondContact O-N 2.98Å; R160-K164 WeakPolarHBondContact O-CB 3.44Å; R160-K164 PolarHBondContact O-N 3.18Å
161E90.3Very high88.8Confident88 Ų8871.2 Ų71.241%0.41135%0.352SS..Hα-helixtrans-60.4-38.2174.9-77-176.2165.400111.5K147 Q157 V158K147-E161 IonicContact NZ-OE1 3.2Å; K147-E161 PolarHBondContact NZ-OE1 3.43Å; K147-E161 IonicContact NZ-OE2 2.83Å; K147-E161 PolarHBondContact NZ-OE2 3.28Å; Q157-E161 WeakPolarHBondContact O-CB 3.23Å; Q157-E161 WeakPolarHBondContact O-CG 3.36Å; Q157-E161 PolarHBondContact O-N 3.25Å; V158-E161 PolarHBondContact O-N 3.4Å
162F90.5Very high88.5Confident46 Ų4671.9 Ų71.920%0.20234%0.342CS..Hα-helixtrans-66.8-47.1175.3177.1-94.6000112.4M123 L136 Y140 V158 L159 R160 K164 T165 F166M123-F162 HydrophobicContact CE-CE1 3.5Å; M123-F162 HydrophobicContact CE-CZ 3.93Å; L136-F162 HydrophobicContact CD1-CD1 3.54Å; L136-F162 HydrophobicContact CD1-CE1 4.03Å; L136-F162 HydrophobicContact CD2-CD1 4.33Å; L136-F162 HydrophobicContact CD2-CE1 3.98Å; Y140-F162 HydrophobicContact CD2-CD1 4.49Å; Y140-F162 HydrophobicContact CD2-CD2 4.31Å; Y140-F162 HydrophobicContact CD2-CE2 4.35Å; Y140-F162 HydrophobicContact CD2-CG 4.36Å; Y140-F162 HydrophobicContact CD2-CZ 4.45Å; Y140-F162 AromaticContact CE2-CD2 3.71Å; Y140-F162 HydrophobicContact CE2-CD2 3.71Å; Y140-F162 AromaticContact CE2-CE2 3.92Å; Y140-F162 HydrophobicContact CE2-CE2 3.92Å; Y140-F162 HydrophobicContact CE2-CG 4.08Å; Y140-F162 HydrophobicContact CE2-CZ 4.46Å; V158-F162 PolarHBondContact O-N 3.39Å; L159-F162 PolarHBondContact O-N 3.3Å; R160-F162 PolarHBondContact O-N 3.39Å; F162-K164 VanDerWaalsContact C-N 3.27Å; F162-K164 PolarHBondContact O-N 3.08Å; F162-T165 WeakPolarHBondContact O-CB 2.75Å; F162-T165 PolarHBondContact O-N 2.91Å; F162-T165 VanDerWaalsContact O-N 3.09Å; F162-T165 PolarHBondContact O-OG1 3.27Å; F162-F166 HydrophobicContact CD1-CE2 4.18Å; F162-F166 AromaticContact CE1-CE2 3.66Å; F162-F166 HydrophobicContact CE1-CE2 3.66Å; F162-F166 HydrophobicContact CE1-CZ 4.35Å; F162-F166 HydrophobicContact CE2-CE2 4.17Å; F162-F166 HydrophobicContact CE2-CZ 4.43Å; F162-F166 AromaticContact CZ-CE2 3.65Å; F162-F166 HydrophobicContact CZ-CE2 3.65Å; F162-F166 AromaticContact CZ-CZ 3.94Å; F162-F166 HydrophobicContact CZ-CZ 3.94Å
163L92.9Very high88.3Confident0 Ų066.4 Ų66.40%033%0.329CS..Hα-helixtrans-58.7-41.5175.9-71.4174.4000111.9I131 L133 L136 L159 R160 T165 F166 E167 G174 V176I131-L163 HydrophobicContact CG2-CD2 3.9Å; L133-L163 HydrophobicContact CD2-CD1 3.64Å; L133-L163 HydrophobicContact CG-CD1 3.83Å; L136-L163 HydrophobicContact CD1-CD1 4.11Å; L136-L163 HydrophobicContact CD1-CD2 3.43Å; L136-L163 VanDerWaalsContact CD1-CD2 3.43Å; L136-L163 HydrophobicContact CD1-CG 3.5Å; L136-L163 HydrophobicContact CG-CD2 4.09Å; L159-L163 PolarHBondContact O-N 3.09Å; R160-L163 PolarHBondContact O-N 2.98Å; L163-T165 PolarHBondContact O-N 3.3Å; L163-F166 PolarHBondContact O-N 3.45Å; L163-E167 PolarHBondContact O-N 3.43Å; L163-G174 WeakPolarHBondContact CD1-O 3.48Å; L163-V176 HydrophobicContact CB-CG2 4.07Å; L163-V176 HydrophobicContact CD2-CB 4.33Å; L163-V176 HydrophobicContact CD2-CG2 3.68Å; L163-V176 HydrophobicContact CG-CG2 4.46Å; L163-V176 WeakPolarHBondContact O-CG2 3.4Å
164K91.8Very high88.2Confident128 Ų12866.4 Ų66.456%0.55733%0.33SS*.THydrogen-bonded Turntrans-55.8-22.3177.1-171.3177.8179.3-177.40113.7R160 F162 F166 E167 V172R160-K164 WeakPolarHBondContact O-CB 3.44Å; R160-K164 PolarHBondContact O-N 3.18Å; F162-K164 VanDerWaalsContact C-N 3.27Å; F162-K164 PolarHBondContact O-N 3.08Å; K164-F166 PolarHBondContact O-N 3.01Å; K164-E167 VanDerWaalsContact CA-OE2 3.28Å; K164-E167 WeakPolarHBondContact CA-OE2 3.4Å; K164-E167 PolarHBondContact N-OE2 3.44Å; K164-V172 HydrophobicContact CD-CG1 4.38Å; K164-V172 HydrophobicContact CG-CG1 4.21Å
165T90.2Very high88.1Confident70 Ų7064.5 Ų64.543%0.42932%0.317SS..THydrogen-bonded Turntrans-68.8-21.6176.1680000113.9F162 L163 Y184F162-T165 WeakPolarHBondContact O-CB 2.75Å; F162-T165 PolarHBondContact O-N 2.91Å; F162-T165 VanDerWaalsContact O-N 3.09Å; F162-T165 PolarHBondContact O-OG1 3.27Å; L163-T165 PolarHBondContact O-N 3.3Å; T165-Y184 WeakPolarHBondContact O-CD2 3.33Å; T165-Y184 WeakPolarHBondContact O-CE2 3.48Å
166F91.8Very high88.3Confident9 Ų961.2 Ų61.24%0.03930%0.302CS..THydrogen-bonded Turntrans-100.7-30.6178.6-55.7-81.8000112.5F162 L163 K164 V176 F181 Y184 Y185F162-F166 HydrophobicContact CD1-CE2 4.18Å; F162-F166 AromaticContact CE1-CE2 3.66Å; F162-F166 HydrophobicContact CE1-CE2 3.66Å; F162-F166 HydrophobicContact CE1-CZ 4.35Å; F162-F166 HydrophobicContact CE2-CE2 4.17Å; F162-F166 HydrophobicContact CE2-CZ 4.43Å; F162-F166 AromaticContact CZ-CE2 3.65Å; F162-F166 HydrophobicContact CZ-CE2 3.65Å; F162-F166 AromaticContact CZ-CZ 3.94Å; F162-F166 HydrophobicContact CZ-CZ 3.94Å; L163-F166 PolarHBondContact O-N 3.45Å; K164-F166 PolarHBondContact O-N 3.01Å; F166-V176 HydrophobicContact CB-CB 4.33Å; F166-V176 HydrophobicContact CB-CG1 3.54Å; F166-V176 HydrophobicContact CB-CG2 3.76Å; F166-V176 HydrophobicContact CD2-CG2 4.29Å; F166-V176 HydrophobicContact CG-CG1 4.12Å; F166-V176 HydrophobicContact CG-CG2 4.41Å; F166-F181 AromaticContact CD1-CD2 3.6Å; F166-F181 HydrophobicContact CD1-CD2 3.6Å; F166-F181 AromaticContact CD1-CE2 3.98Å; F166-F181 HydrophobicContact CD1-CE2 3.98Å; F166-F181 HydrophobicContact CD1-CG 4.4Å; F166-F181 AromaticContact CE1-CD2 3.71Å; F166-F181 HydrophobicContact CE1-CD2 3.71Å; F166-F181 AromaticContact CE1-CE2 3.56Å; F166-F181 HydrophobicContact CE1-CE2 3.56Å; F166-F181 HydrophobicContact CE1-CZ 4.44Å; F166-F181 HydrophobicContact CG-CD2 4.12Å; F166-F181 HydrophobicContact CZ-CD2 4.3Å; F166-F181 AromaticContact CZ-CE2 3.89Å; F166-F181 HydrophobicContact CZ-CE2 3.89Å; F166-Y184 AromaticContact CD1-CD1 3.71Å; F166-Y184 HydrophobicContact CD1-CD1 3.71Å; F166-Y184 HydrophobicContact CD1-CD2 4.35Å; F166-Y184 HydrophobicContact CD1-CE1 4.33Å; F166-Y184 AromaticContact CD1-CG 3.72Å; F166-Y184 HydrophobicContact CD1-CG 3.72Å; F166-Y184 AromaticContact CE1-CD1 3.61Å; F166-Y184 HydrophobicContact CE1-CD1 3.61Å; F166-Y184 AromaticContact CE1-CE1 3.87Å; F166-Y184 HydrophobicContact CE1-CE1 3.87Å; F166-Y184 HydrophobicContact CE1-CG 4.1Å; F166-Y185 AromaticContact CE1-CE2 3.88Å; F166-Y185 HydrophobicContact CE1-CE2 3.88Å
167E89.7Confident88.4Confident19 Ų1961.1 Ų61.19%0.08930%0.304CS..SBendtrans-61.5148.2178.5-68.4-179.3114.400111.8L163 K164 S171 V172 D173 G174 V175 V176L163-E167 PolarHBondContact O-N 3.43Å; K164-E167 VanDerWaalsContact CA-OE2 3.28Å; K164-E167 WeakPolarHBondContact CA-OE2 3.4Å; K164-E167 PolarHBondContact N-OE2 3.44Å; E167-S171 WeakPolarHBondContact CB-O 3.36Å; E167-V172 WeakPolarHBondContact OE1-CA 3.28Å; E167-D173 PolarHBondContact OE1-N 2.85Å; E167-G174 WeakPolarHBondContact OE1-CA 3.23Å; E167-G174 PolarHBondContact OE1-N 3.22Å; E167-V175 PolarHBondContact OE1-N 2.97Å; E167-V176 HydrophobicContact CG-CG2 3.93Å
168N79Confident88.5Confident48 Ų4859.6 Ų59.626%0.25729%0.294SS..BIsolated β-bridgetrans-84.3156.717468.874.8000111K170 S171 E180N168-K170 PolarHBondContact O-N 2.98Å; N168-K170 WeakPolarHBondContact OD1-CA 3.43Å; N168-K170 PolarHBondContact OD1-N 3.45Å; N168-K170 VanDerWaalsContact OD1-N 3.08Å; N168-S171 WeakPolarHBondContact ND2-CB 3.39Å; N168-S171 CarbonylContact O-C 3.45Å; N168-S171 PolarHBondContact O-N 3.13Å; N168-S171 WeakPolarHBondContact OD1-CB 3.46Å; N168-S171 PolarHBondContact OD1-N 3.07Å; N168-E180 PolarHBondContact ND2-OE1 2.86Å
169E71.1Confident88.5Confident187 Ų18766.7 Ų66.787%0.87433%0.327SS*.THydrogen-bonded Turntrans-57.7-22.6-176-65.9-171.9167.100114.2
170K70.6Confident88.5Confident137 Ų13767.4 Ų67.460%0.59633%0.33SS*.THydrogen-bonded Turntrans-93.1-15.8-179.6-64.5-161.9170.2-1700114.2D90 N168D90-K170 VanDerWaalsContact CA-NZ 3.31Å; D90-K170 HydrophobicContact CB-CD 3.99Å; D90-K170 PolarHBondContact O-NZ 3.09Å; D90-K170 IonicContact OD1-NZ 2.77Å; D90-K170 WeakPolarHBondContact OD2-CE 3.43Å; D90-K170 IonicContact OD2-NZ 3.55Å; D90-K170 PolarHBondContact OD2-NZ 3.46Å; N168-K170 PolarHBondContact O-N 2.98Å; N168-K170 WeakPolarHBondContact OD1-CA 3.43Å; N168-K170 PolarHBondContact OD1-N 3.45Å; N168-K170 VanDerWaalsContact OD1-N 3.08Å
171S75.1Confident88.6Confident41 Ų4161.3 Ų61.329%0.28731%0.307SS..BIsolated β-bridgetrans-132.776.4-176.6-167.30000109.7E167 N168E167-S171 WeakPolarHBondContact CB-O 3.36Å; N168-S171 WeakPolarHBondContact ND2-CB 3.39Å; N168-S171 CarbonylContact O-C 3.45Å; N168-S171 PolarHBondContact O-N 3.13Å; N168-S171 WeakPolarHBondContact OD1-CB 3.46Å; N168-S171 PolarHBondContact OD1-N 3.07Å
172V85.9Confident88.8Confident81 Ų8159.1 Ų59.149%0.49130%0.298SS..  trans-10280170.4-1740000107.4K164 E167K164-V172 HydrophobicContact CD-CG1 4.38Å; K164-V172 HydrophobicContact CG-CG1 4.21Å; E167-V172 WeakPolarHBondContact OE1-CA 3.28Å
173D90.8Very high88.8Confident96 Ų9658.1 Ų58.151%0.51330%0.295SS..SBendtrans-109-3.6-175.9680.2000113.1E167 V175E167-D173 PolarHBondContact OE1-N 2.85Å; D173-V175 WeakPolarHBondContact OD1-CA 3.35Å; D173-V175 WeakPolarHBondContact OD1-CB 3.35Å; D173-V175 PolarHBondContact OD1-N 3.23Å
174G91.7Very high88.8Confident10 Ų1062.3 Ų62.310%0.10331%0.311CS..SBendtrans78.320.1-175.200000113.3L163 E167L163-G174 WeakPolarHBondContact CD1-O 3.48Å; E167-G174 WeakPolarHBondContact OE1-CA 3.23Å; E167-G174 PolarHBondContact OE1-N 3.22Å
175V93.6Very high88.9Confident36 Ų3657 Ų5722%0.21829%0.288CS..  trans-130.6112.4180-177.10000109.1K130 T132 E167 D173K130-V175 HydrophobicContact CB-CG1 3.68Å; K130-V175 HydrophobicContact CD-CG1 3.7Å; K130-V175 HydrophobicContact CG-CG1 4.13Å; T132-V175 HydrophobicContact CG2-CG1 4.41Å; T132-V175 HydrophobicContact CG2-CG2 4.36Å; E167-V175 PolarHBondContact OE1-N 2.97Å; D173-V175 WeakPolarHBondContact OD1-CA 3.35Å; D173-V175 WeakPolarHBondContact OD1-CB 3.35Å; D173-V175 PolarHBondContact OD1-N 3.23Å
176V95.2Very high89Confident0 Ų054.4 Ų54.40%027%0.272CS..EExtended strand (participates in β ladder)trans-92.8113.6178.1174.50000109.7K130 I131 L163 F166 E167 E180 F181K130-V176 WeakPolarHBondContact CA-O 3.25Å; I131-V176 HydrophobicContact CB-CB 4.24Å; I131-V176 PolarHBondContact N-O 3.11Å; I131-V176 PolarHBondContact O-N 3.3Å; L163-V176 HydrophobicContact CB-CG2 4.07Å; L163-V176 HydrophobicContact CD2-CB 4.33Å; L163-V176 HydrophobicContact CD2-CG2 3.68Å; L163-V176 HydrophobicContact CG-CG2 4.46Å; L163-V176 WeakPolarHBondContact O-CG2 3.4Å; F166-V176 HydrophobicContact CB-CB 4.33Å; F166-V176 HydrophobicContact CB-CG1 3.54Å; F166-V176 HydrophobicContact CB-CG2 3.76Å; F166-V176 HydrophobicContact CD2-CG2 4.29Å; F166-V176 HydrophobicContact CG-CG1 4.12Å; F166-V176 HydrophobicContact CG-CG2 4.41Å; E167-V176 HydrophobicContact CG-CG2 3.93Å; V176-E180 HydrophobicContact CG1-CB 4.29Å; V176-F181 HydrophobicContact CG1-CB 3.99Å; V176-F181 HydrophobicContact CG1-CD2 4.17Å
177T95.2Very high88.8Confident56 Ų5655.1 Ų55.134%0.34428%0.282SS..EExtended strand (participates in β ladder)trans-77163.2175.562.90000112.2E179 E180 F181T177-E179 PolarHBondContact O-N 3.01Å; T177-E180 PolarHBondContact N-OE2 2.84Å; T177-E180 PolarHBondContact O-N 3.41Å; T177-E180 WeakPolarHBondContact OG1-CG 3.47Å; T177-E180 PolarHBondContact OG1-N 3.41Å; T177-E180 PolarHBondContact OG1-OE2 3.4Å; T177-F181 WeakPolarHBondContact O-CB 3.47Å; T177-F181 PolarHBondContact O-N 3.2Å
178W95.4Very high88.9Confident67 Ų6756 Ų5625%0.25429%0.289SS..Hα-helixtrans-55.5-38.7170.9168.4-111000112.2T113 V116 R117 F120 L182T113-W178 HydrophobicContact CG2-CZ2 4.46Å; V116-W178 HydrophobicContact CG1-CH2 4Å; V116-W178 HydrophobicContact CG1-CZ3 4.02Å; R117-W178 HydrophobicContact CB-CH2 3.7Å; R117-W178 HydrophobicContact CB-CZ3 4.06Å; R117-W178 HydrophobicContact CG-CH2 4.24Å; R117-W178 HydrophobicContact CG-CZ3 4.38Å; F120-W178 HydrophobicContact CB-CE3 3.79Å; F120-W178 HydrophobicContact CB-CZ3 3.71Å; F120-W178 AromaticContact CD1-CE3 4Å; F120-W178 HydrophobicContact CD1-CE3 4Å; F120-W178 AromaticContact CD2-CE3 3.91Å; F120-W178 HydrophobicContact CD2-CE3 3.91Å; F120-W178 HydrophobicContact CE1-CB 4.33Å; F120-W178 HydrophobicContact CE2-CB 4.3Å; F120-W178 AromaticContact CG-CE3 3.61Å; F120-W178 HydrophobicContact CG-CE3 3.61Å; F120-W178 HydrophobicContact CG-CZ3 4.08Å; F120-W178 HydrophobicContact CZ-CB 4.05Å; W178-L182 HydrophobicContact CD2-CB 4.46Å; W178-L182 HydrophobicContact CH2-CB 4.48Å; W178-L182 HydrophobicContact CH2-CD1 3.98Å; W178-L182 HydrophobicContact CZ2-CB 4.21Å; W178-L182 HydrophobicContact CZ2-CD1 3.8Å; W178-L182 HydrophobicContact CZ2-CD2 3.98Å; W178-L182 HydrophobicContact CZ2-CG 4.22Å; W178-L182 WeakPolarHBondContact O-CB 3.46Å; W178-L182 PolarHBondContact O-N 3.02Å
179E92.5Very high89.4Confident153 Ų15354.1 Ų54.172%0.71528%0.28SS*.Hα-helixtrans-64.5-43.9-179.8-176.2172.1-179.300111.8T177 N183T177-E179 PolarHBondContact O-N 3.01Å; E179-N183 WeakPolarHBondContact O-CB 3.21Å; E179-N183 PolarHBondContact O-N 3.48Å
180E93.3Very high90.1Very high16 Ų1646.3 Ų46.38%0.07525%0.247CC..Hα-helixtrans-66.2-46.6178.2-74.4168.3133.100112.1N168 V176 T177 L182 N183 Y184N168-E180 PolarHBondContact ND2-OE1 2.86Å; V176-E180 HydrophobicContact CG1-CB 4.29Å; T177-E180 PolarHBondContact N-OE2 2.84Å; T177-E180 PolarHBondContact O-N 3.41Å; T177-E180 WeakPolarHBondContact OG1-CG 3.47Å; T177-E180 PolarHBondContact OG1-N 3.41Å; T177-E180 PolarHBondContact OG1-OE2 3.4Å; E180-L182 PolarHBondContact O-N 2.97Å; E180-N183 WeakPolarHBondContact O-CB 3.5Å; E180-N183 PolarHBondContact O-N 2.96Å; E180-Y184 PolarHBondContact O-N 3.18Å
181F94.9Very high90.8Very high0 Ų043.4 Ų43.40%024%0.244CC..Hα-helixtrans-61.3-45.7177.1-164.6-94.6000111.8V116 A119 F120 M123 I131 F166 V176 T177 N183 Y184 Y185 Y206V116-F181 HydrophobicContact CG1-CD1 3.8Å; V116-F181 HydrophobicContact CG1-CE1 3.91Å; A119-F181 HydrophobicContact CB-CE1 4.13Å; A119-F181 HydrophobicContact CB-CZ 4.15Å; F120-F181 HydrophobicContact CB-CD1 3.91Å; F120-F181 HydrophobicContact CB-CE1 3.94Å; F120-F181 HydrophobicContact CD2-CB 3.58Å; F120-F181 AromaticContact CD2-CD1 3.77Å; F120-F181 HydrophobicContact CD2-CD1 3.77Å; F120-F181 HydrophobicContact CD2-CD2 4.1Å; F120-F181 HydrophobicContact CD2-CE1 4.42Å; F120-F181 AromaticContact CD2-CG 3.56Å; F120-F181 HydrophobicContact CD2-CG 3.56Å; F120-F181 HydrophobicContact CE2-CB 3.91Å; F120-F181 HydrophobicContact CE2-CG 4.31Å; F120-F181 HydrophobicContact CG-CD1 4.34Å; M123-F181 HydrophobicContact CE-CE2 4.3Å; M123-F181 HydrophobicContact SD-CE2 3.52Å; M123-F181 VanDerWaalsContact SD-CE2 3.52Å; M123-F181 HydrophobicContact SD-CZ 3.77Å; I131-F181 HydrophobicContact CD1-CD2 3.97Å; I131-F181 HydrophobicContact CD1-CE2 4.11Å; F166-F181 AromaticContact CD1-CD2 3.6Å; F166-F181 HydrophobicContact CD1-CD2 3.6Å; F166-F181 AromaticContact CD1-CE2 3.98Å; F166-F181 HydrophobicContact CD1-CE2 3.98Å; F166-F181 HydrophobicContact CD1-CG 4.4Å; F166-F181 AromaticContact CE1-CD2 3.71Å; F166-F181 HydrophobicContact CE1-CD2 3.71Å; F166-F181 AromaticContact CE1-CE2 3.56Å; F166-F181 HydrophobicContact CE1-CE2 3.56Å; F166-F181 HydrophobicContact CE1-CZ 4.44Å; F166-F181 HydrophobicContact CG-CD2 4.12Å; F166-F181 HydrophobicContact CZ-CD2 4.3Å; F166-F181 AromaticContact CZ-CE2 3.89Å; F166-F181 HydrophobicContact CZ-CE2 3.89Å; V176-F181 HydrophobicContact CG1-CB 3.99Å; V176-F181 HydrophobicContact CG1-CD2 4.17Å; T177-F181 WeakPolarHBondContact O-CB 3.47Å; T177-F181 PolarHBondContact O-N 3.2Å; F181-N183 VanDerWaalsContact C-N 3.32Å; F181-N183 PolarHBondContact O-N 3.4Å; F181-Y184 PolarHBondContact O-N 3.07Å; F181-Y185 AromaticContact CD1-CD2 3.85Å; F181-Y185 HydrophobicContact CD1-CD2 3.85Å; F181-Y185 HydrophobicContact CD1-CE2 4.22Å; F181-Y185 AromaticContact CE1-CD2 3.58Å; F181-Y185 HydrophobicContact CE1-CD2 3.58Å; F181-Y185 AromaticContact CE1-CE2 3.6Å; F181-Y185 HydrophobicContact CE1-CE2 3.6Å; F181-Y185 AromaticContact CE2-CE2 3.96Å; F181-Y185 HydrophobicContact CE2-CE2 3.96Å; F181-Y185 HydrophobicContact CG-CD2 4.45Å; F181-Y185 AromaticContact CZ-CD2 3.95Å; F181-Y185 HydrophobicContact CZ-CD2 3.95Å; F181-Y185 AromaticContact CZ-CE2 3.46Å; F181-Y185 HydrophobicContact CZ-CE2 3.46Å; F181-Y185 VanDerWaalsContact CZ-CE2 3.46Å; F181-Y185 WeakPolarHBondContact O-CD2 3.36Å; F181-Y185 PolarHBondContact O-N 2.84Å; F181-Y185 VanDerWaalsContact O-N 3.14Å; F181-Y206 WeakPolarHBondContact CE2-OH 3.47Å; F181-Y206 HydrophobicContact CZ-CE1 4.36Å; F181-Y206 HydrophobicContact CZ-CE2 4.3Å; F181-Y206 AromaticContact CZ-CZ 3.76Å; F181-Y206 VanDerWaalsContact CZ-OH 3.27Å; F181-Y206 WeakPolarHBondContact CZ-OH 3.44Å
182L94.3Very high91.4Very high42 Ų4242.6 Ų42.622%0.2224%0.236CC..Hα-helixtrans-63.2-40.4175.8-17866.7000111.1M108 T113 V116 W178 E180 Y185 S186M108-L182 HydrophobicContact CE-CD1 3.32Å; M108-L182 HydrophobicContact CE-CG 4.36Å; T113-L182 HydrophobicContact CG2-CD1 4.33Å; V116-L182 HydrophobicContact CG1-CD1 4.17Å; W178-L182 HydrophobicContact CD2-CB 4.46Å; W178-L182 HydrophobicContact CH2-CB 4.48Å; W178-L182 HydrophobicContact CH2-CD1 3.98Å; W178-L182 HydrophobicContact CZ2-CB 4.21Å; W178-L182 HydrophobicContact CZ2-CD1 3.8Å; W178-L182 HydrophobicContact CZ2-CD2 3.98Å; W178-L182 HydrophobicContact CZ2-CG 4.22Å; W178-L182 WeakPolarHBondContact O-CB 3.46Å; W178-L182 PolarHBondContact O-N 3.02Å; E180-L182 PolarHBondContact O-N 2.97Å; L182-Y185 PolarHBondContact O-N 3.09Å; L182-S186 VanDerWaalsContact O-CB 3.26Å; L182-S186 WeakPolarHBondContact O-CB 3.31Å; L182-S186 PolarHBondContact O-N 3.21Å; L182-S186 PolarHBondContact O-OG 3.4Å
183N90.5Very high91.2Very high24 Ų2446.7 Ų46.713%0.12826%0.256CS..Hα-helixtrans-62.8-46.2179.1172.970.4000112R102 R105 E179 E180 F181 S186 G187R102-N183 WeakPolarHBondContact CG-OD1 3.21Å; R102-N183 PolarHBondContact NE-ND2 2.78Å; R102-N183 PolarHBondContact NE-OD1 3.46Å; R102-N183 PolarHBondContact NH2-ND2 3.1Å; R105-N183 PolarHBondContact NH1-O 3.01Å; R105-N183 VanDerWaalsContact NH1-O 3.08Å; R105-N183 PolarHBondContact NH2-O 3.42Å; R105-N183 PolarHBondContact NH2-OD1 3.21Å; E179-N183 WeakPolarHBondContact O-CB 3.21Å; E179-N183 PolarHBondContact O-N 3.48Å; E180-N183 WeakPolarHBondContact O-CB 3.5Å; E180-N183 PolarHBondContact O-N 2.96Å; F181-N183 VanDerWaalsContact C-N 3.32Å; F181-N183 PolarHBondContact O-N 3.4Å; N183-S186 WeakPolarHBondContact O-CB 3.33Å; N183-S186 PolarHBondContact O-N 3.02Å; N183-G187 PolarHBondContact O-N 2.9Å; N183-G187 VanDerWaalsContact O-N 3.12Å
184Y92.1Very high91.1Very high88 Ų8844.5 Ų44.535%0.34525%0.248SC..Hα-helixtrans-56.1-52.9176.3174.6-93.2000110.3T165 F166 E180 F181 S186 G187 V188T165-Y184 WeakPolarHBondContact O-CD2 3.33Å; T165-Y184 WeakPolarHBondContact O-CE2 3.48Å; F166-Y184 AromaticContact CD1-CD1 3.71Å; F166-Y184 HydrophobicContact CD1-CD1 3.71Å; F166-Y184 HydrophobicContact CD1-CD2 4.35Å; F166-Y184 HydrophobicContact CD1-CE1 4.33Å; F166-Y184 AromaticContact CD1-CG 3.72Å; F166-Y184 HydrophobicContact CD1-CG 3.72Å; F166-Y184 AromaticContact CE1-CD1 3.61Å; F166-Y184 HydrophobicContact CE1-CD1 3.61Å; F166-Y184 AromaticContact CE1-CE1 3.87Å; F166-Y184 HydrophobicContact CE1-CE1 3.87Å; F166-Y184 HydrophobicContact CE1-CG 4.1Å; E180-Y184 PolarHBondContact O-N 3.18Å; F181-Y184 PolarHBondContact O-N 3.07Å; Y184-S186 VanDerWaalsContact C-N 3.3Å; Y184-S186 PolarHBondContact O-N 3.44Å; Y184-G187 WeakPolarHBondContact O-CA 3.49Å; Y184-G187 PolarHBondContact O-N 2.84Å; Y184-V188 HydrophobicContact CD1-CG2 4.3Å; Y184-V188 HydrophobicContact CE1-CG2 3.87Å; Y184-V188 PolarHBondContact O-N 2.83Å; Y184-V188 VanDerWaalsContact O-N 3.09Å
185Y94.3Very high91Very high16 Ų1646.8 Ų46.86%0.06326%0.258CS..Hα-helixtrans-69-27.1-179.1-85.5-63.2000114.2V116 F166 F181 L182 G187 V188 S189 F198 M201 M202 Y206V116-Y185 HydrophobicContact CG1-CD2 4.07Å; V116-Y185 HydrophobicContact CG1-CG 4.26Å; V116-Y185 HydrophobicContact CG2-CD2 4.45Å; V116-Y185 HydrophobicContact CG2-CG 3.95Å; F166-Y185 AromaticContact CE1-CE2 3.88Å; F166-Y185 HydrophobicContact CE1-CE2 3.88Å; F181-Y185 AromaticContact CD1-CD2 3.85Å; F181-Y185 HydrophobicContact CD1-CD2 3.85Å; F181-Y185 HydrophobicContact CD1-CE2 4.22Å; F181-Y185 AromaticContact CE1-CD2 3.58Å; F181-Y185 HydrophobicContact CE1-CD2 3.58Å; F181-Y185 AromaticContact CE1-CE2 3.6Å; F181-Y185 HydrophobicContact CE1-CE2 3.6Å; F181-Y185 AromaticContact CE2-CE2 3.96Å; F181-Y185 HydrophobicContact CE2-CE2 3.96Å; F181-Y185 HydrophobicContact CG-CD2 4.45Å; F181-Y185 AromaticContact CZ-CD2 3.95Å; F181-Y185 HydrophobicContact CZ-CD2 3.95Å; F181-Y185 AromaticContact CZ-CE2 3.46Å; F181-Y185 HydrophobicContact CZ-CE2 3.46Å; F181-Y185 VanDerWaalsContact CZ-CE2 3.46Å; F181-Y185 WeakPolarHBondContact O-CD2 3.36Å; F181-Y185 PolarHBondContact O-N 2.84Å; F181-Y185 VanDerWaalsContact O-N 3.14Å; L182-Y185 PolarHBondContact O-N 3.09Å; Y185-G187 VanDerWaalsContact C-N 3.26Å; Y185-G187 PolarHBondContact O-N 3.26Å; Y185-V188 HydrophobicContact CD1-CB 4.34Å; Y185-V188 HydrophobicContact CD1-CG2 4.48Å; Y185-V188 PolarHBondContact O-N 2.96Å; Y185-S189 WeakPolarHBondContact O-CB 3.44Å; Y185-S189 PolarHBondContact O-N 3.34Å; Y185-F198 HydrophobicContact CD1-CE2 4.46Å; Y185-F198 HydrophobicContact CD1-CZ 4.16Å; Y185-M201 HydrophobicContact CE1-CE 4.36Å; Y185-M202 HydrophobicContact CD1-CE 3.96Å; Y185-M202 HydrophobicContact CD1-SD 3.41Å; Y185-M202 WeakPolarHBondContact CD1-SD 3.26Å; Y185-M202 HydrophobicContact CD2-CE 4.1Å; Y185-M202 HydrophobicContact CE1-CE 3.82Å; Y185-M202 HydrophobicContact CE1-SD 3.14Å; Y185-M202 WeakPolarHBondContact CE1-SD 3.2Å; Y185-M202 HydrophobicContact CE2-CE 3.93Å; Y185-M202 HydrophobicContact CE2-SD 4.36Å; Y185-M202 HydrophobicContact CG-CE 4.12Å; Y185-M202 HydrophobicContact CG-SD 4.17Å; Y185-Y206 AromaticContact CE2-CE2 3.98Å; Y185-Y206 HydrophobicContact CE2-CE2 3.98Å; Y185-Y206 WeakPolarHBondContact CE2-OH 3.44Å; Y185-Y206 AromaticContact CZ-CE2 3.65Å; Y185-Y206 WeakPolarHBondContact OH-CE2 3.29Å; Y185-Y206 VanDerWaalsContact OH-CZ 3.29Å; Y185-Y206 PolarHBondContact OH-OH 3.45Å
186S91.7Very high91Very high16 Ų1649 Ų4911%0.11228%0.275CS..Hα-helixtrans-65.4-32.4170.1-61.90000111.8R105 M108 L182 N183 Y184 A190R105-S186 VanDerWaalsContact NH1-C 3.31Å; R105-S186 VanDerWaalsContact NH1-CB 3.3Å; M108-S186 WeakPolarHBondContact CE-OG 3.32Å; L182-S186 VanDerWaalsContact O-CB 3.26Å; L182-S186 WeakPolarHBondContact O-CB 3.31Å; L182-S186 PolarHBondContact O-N 3.21Å; L182-S186 PolarHBondContact O-OG 3.4Å; N183-S186 WeakPolarHBondContact O-CB 3.33Å; N183-S186 PolarHBondContact O-N 3.02Å; Y184-S186 VanDerWaalsContact C-N 3.3Å; Y184-S186 PolarHBondContact O-N 3.44Å; S186-A190 PolarHBondContact O-N 2.9Å; S186-A190 VanDerWaalsContact O-N 3.11Å
187G87.9Confident90.9Very high24 Ų2455.9 Ų55.925%0.24730%0.302CS..Hα-helixtrans-69.2-48.3173.700000111.6N183 Y184 Y185 S189 A190N183-G187 PolarHBondContact O-N 2.9Å; N183-G187 VanDerWaalsContact O-N 3.12Å; Y184-G187 WeakPolarHBondContact O-CA 3.49Å; Y184-G187 PolarHBondContact O-N 2.84Å; Y185-G187 VanDerWaalsContact C-N 3.26Å; Y185-G187 PolarHBondContact O-N 3.26Å; G187-S189 VanDerWaalsContact C-N 3.32Å; G187-S189 PolarHBondContact O-N 2.91Å; G187-A190 PolarHBondContact O-N 3.36Å
188V90.8Very high90.9Very high37 Ų3753.2 Ų53.222%0.22429%0.285CS..Hα-helixtrans-58.5-46174.2177.50000110.9Y184 Y185 A190 S191 I192 F198 M201Y184-V188 HydrophobicContact CD1-CG2 4.3Å; Y184-V188 HydrophobicContact CE1-CG2 3.87Å; Y184-V188 PolarHBondContact O-N 2.83Å; Y184-V188 VanDerWaalsContact O-N 3.09Å; Y185-V188 HydrophobicContact CD1-CB 4.34Å; Y185-V188 HydrophobicContact CD1-CG2 4.48Å; Y185-V188 PolarHBondContact O-N 2.96Å; V188-A190 VanDerWaalsContact C-N 3.3Å; V188-A190 PolarHBondContact O-N 2.86Å; V188-S191 PolarHBondContact O-N 3.42Å; V188-S191 PolarHBondContact O-OG 3.14Å; V188-I192 HydrophobicContact CG1-CD1 4.01Å; V188-F198 HydrophobicContact CG1-CE2 4.37Å; V188-M201 HydrophobicContact CG1-CE 3.93Å
189S91.2Very high90.9Very high9 Ų952.4 Ų52.46%0.06328%0.284CS..Hα-helixtrans-57.1-40.7178.1-178.70000112.4M108 R112 Y185 G187 S191 I192M108-S189 WeakPolarHBondContact CG-OG 3.49Å; M108-S189 WeakPolarHBondContact SD-CB 3.34Å; M108-S189 PolarHBondContact SD-OG 3.25Å; M108-S189 VanDerWaalsContact SD-OG 3.4Å; R112-S189 WeakPolarHBondContact CD-OG 3.31Å; R112-S189 PolarHBondContact NH1-O 2.83Å; R112-S189 PolarHBondContact NH1-OG 3.38Å; Y185-S189 WeakPolarHBondContact O-CB 3.44Å; Y185-S189 PolarHBondContact O-N 3.34Å; G187-S189 VanDerWaalsContact C-N 3.32Å; G187-S189 PolarHBondContact O-N 2.91Å; S189-S191 PolarHBondContact O-N 3.44Å; S189-I192 PolarHBondContact O-N 3.12Å
190A85.8Confident91.1Very high24 Ų2449.6 Ų49.620%0.19827%0.274CS..THydrogen-bonded Turntrans-65.5-8.8177.200000114.2G40 I41 S186 G187 V188G40-A190 WeakPolarHBondContact CA-O 3.29Å; I41-A190 PolarHBondContact N-O 2.93Å; S186-A190 PolarHBondContact O-N 2.9Å; S186-A190 VanDerWaalsContact O-N 3.11Å; G187-A190 PolarHBondContact O-N 3.36Å; V188-A190 VanDerWaalsContact C-N 3.3Å; V188-A190 PolarHBondContact O-N 2.86Å
191S84.6Confident91.2Very high76 Ų7651.1 Ų51.153%0.53128%0.281SS..THydrogen-bonded Turntrans-103.70.6174.173.30000113.7V188 S189V188-S191 PolarHBondContact O-N 3.42Å; V188-S191 PolarHBondContact O-OG 3.14Å; S189-S191 PolarHBondContact O-N 3.44Å
192I87Confident91.3Very high23 Ų2351.1 Ų51.112%0.11828%0.281CS..  trans-120.3117.8-176.4-69170.6000110.2R112 V188 S189 S194 Y197 F198 M201R112-I192 PolarHBondContact NH1-O 3.4Å; R112-I192 PolarHBondContact NH2-O 3.14Å; V188-I192 HydrophobicContact CG1-CD1 4.01Å; S189-I192 PolarHBondContact O-N 3.12Å; I192-S194 WeakPolarHBondContact CG2-O 3.49Å; I192-Y197 HydrophobicContact CD1-CD1 4.3Å; I192-Y197 HydrophobicContact CD1-CE1 4.3Å; I192-Y197 HydrophobicContact CG1-CD1 4.28Å; I192-Y197 HydrophobicContact CG1-CE1 4.38Å; I192-Y197 HydrophobicContact CG2-CD1 3.68Å; I192-F198 HydrophobicContact CB-CD2 4.44Å; I192-F198 HydrophobicContact CD1-CD2 3.85Å; I192-F198 HydrophobicContact CG2-CB 3.83Å; I192-M201 HydrophobicContact CD1-CE 4.17Å
193D83Confident91.3Very high168 Ų16854 Ų5490%0.89829%0.289SS*.  trans-73.4-30.2-174.8-62.9-26000113.6
194S87.6Confident91.5Very high50 Ų5060.7 Ų60.735%0.3532%0.317SS..  trans-111.4128-171.6-179.40000112.9I192 S196 Y197 F198I192-S194 WeakPolarHBondContact CG2-O 3.49Å; S194-S196 VanDerWaalsContact C-N 3.29Å; S194-S196 PolarHBondContact O-N 2.77Å; S194-S196 PolarHBondContact OG-OG 3.25Å; S194-Y197 PolarHBondContact O-N 2.88Å; S194-F198 PolarHBondContact O-N 2.87Å
195D90.1Very high91.5Very high58 Ų5859.5 Ų59.531%0.3133%0.326SS..Hα-helixtrans-58.9-40.6175.4-77.821.6000111.7S109 R112 Y197 F198 E199S109-D195 WeakPolarHBondContact CB-OD2 3.46Å; S109-D195 PolarHBondContact OG-OD2 3.34Å; R112-D195 IonicContact CZ-OD1 3.54Å; R112-D195 IonicContact NE-OD1 2.61Å; R112-D195 PolarHBondContact NE-OD1 3.33Å; R112-D195 IonicContact NH2-OD1 3.84Å; R112-D195 PolarHBondContact NH2-OD1 3.02Å; D195-Y197 PolarHBondContact O-N 3.14Å; D195-F198 PolarHBondContact O-N 3.12Å; D195-E199 WeakPolarHBondContact O-CB 3.19Å; D195-E199 WeakPolarHBondContact O-CG 3.38Å; D195-E199 PolarHBondContact O-N 3.01Å
196S93Very high91.4Very high82 Ų8260.2 Ų60.257%0.57333%0.329SS*.Hα-helixtrans-67.4-36.2179.461.10000112.6S194 L200S194-S196 VanDerWaalsContact C-N 3.29Å; S194-S196 PolarHBondContact O-N 2.77Å; S194-S196 PolarHBondContact OG-OG 3.25Å; S196-L200 VanDerWaalsContact O-CB 3.27Å; S196-L200 WeakPolarHBondContact O-CB 3.42Å; S196-L200 PolarHBondContact O-N 3.33Å
197Y93.8Very high91.3Very high144 Ų14461.6 Ų61.657%0.56535%0.346SS*.Hα-helixtrans-69.3-43.4173.9-176.4-104.4000111.5I192 S194 D195 L200 M201I192-Y197 HydrophobicContact CD1-CD1 4.3Å; I192-Y197 HydrophobicContact CD1-CE1 4.3Å; I192-Y197 HydrophobicContact CG1-CD1 4.28Å; I192-Y197 HydrophobicContact CG1-CE1 4.38Å; I192-Y197 HydrophobicContact CG2-CD1 3.68Å; S194-Y197 PolarHBondContact O-N 2.88Å; D195-Y197 PolarHBondContact O-N 3.14Å; Y197-L200 PolarHBondContact O-N 2.98Å; Y197-M201 WeakPolarHBondContact O-CB 3.22Å; Y197-M201 PolarHBondContact O-N 3.5Å
198F94.9Very high91.4Very high0 Ų064 Ų640%035%0.352CS..Hα-helixtrans-59.1-48.2175.6-177.7-89.9000111.2M108 R112 V115 V116 Y185 V188 I192 S194 D195 M201 M202M108-F198 HydrophobicContact SD-CZ 4.27Å; R112-F198 HydrophobicContact CB-CD1 3.79Å; R112-F198 HydrophobicContact CB-CE1 3.75Å; R112-F198 HydrophobicContact CG-CB 4.35Å; R112-F198 HydrophobicContact CG-CD1 3.5Å; R112-F198 HydrophobicContact CG-CE1 4Å; R112-F198 HydrophobicContact CG-CG 4.02Å; V115-F198 HydrophobicContact CG1-CD1 4.14Å; V115-F198 HydrophobicContact CG1-CE1 3.93Å; V116-F198 HydrophobicContact CG2-CE1 3.85Å; V116-F198 HydrophobicContact CG2-CZ 3.82Å; Y185-F198 HydrophobicContact CD1-CE2 4.46Å; Y185-F198 HydrophobicContact CD1-CZ 4.16Å; V188-F198 HydrophobicContact CG1-CE2 4.37Å; I192-F198 HydrophobicContact CB-CD2 4.44Å; I192-F198 HydrophobicContact CD1-CD2 3.85Å; I192-F198 HydrophobicContact CG2-CB 3.83Å; S194-F198 PolarHBondContact O-N 2.87Å; D195-F198 PolarHBondContact O-N 3.12Å; F198-M201 HydrophobicContact CD2-CE 4.01Å; F198-M201 HydrophobicContact CE2-CE 3.94Å; F198-M201 WeakPolarHBondContact O-CB 3.3Å; F198-M201 PolarHBondContact O-N 3.49Å; F198-M202 HydrophobicContact CD1-CG 4.1Å; F198-M202 HydrophobicContact CE1-CG 3.71Å; F198-M202 HydrophobicContact CE1-SD 4.46Å; F198-M202 HydrophobicContact CZ-CG 4.04Å; F198-M202 HydrophobicContact CZ-SD 4.25Å; F198-M202 WeakPolarHBondContact O-CG 3.28Å; F198-M202 PolarHBondContact O-N 3.37Å
199E95.9Very high91.4Very high50 Ų5065.3 Ų65.323%0.23436%0.359CS..Hα-helixtrans-59-52.8176.1-76.8174.7-146.500111.2S111 V115 D195 M201 M202 W203S111-E199 VanDerWaalsContact CB-OE1 3.23Å; S111-E199 WeakPolarHBondContact CB-OE1 3.28Å; S111-E199 PolarHBondContact OG-OE1 3.23Å; V115-E199 HydrophobicContact CB-CG 4.41Å; V115-E199 HydrophobicContact CG1-CG 4.03Å; D195-E199 WeakPolarHBondContact O-CB 3.19Å; D195-E199 WeakPolarHBondContact O-CG 3.38Å; D195-E199 PolarHBondContact O-N 3.01Å; E199-M201 PolarHBondContact O-N 3.13Å; E199-M202 WeakPolarHBondContact O-CA 2.99Å; E199-M202 WeakPolarHBondContact O-CB 3.29Å; E199-M202 PolarHBondContact O-N 3.39Å; E199-W203 PolarHBondContact O-N 3.26Å
200L96.2Very high91.4Very high94 Ų9468.3 Ų68.349%0.49237%0.374SS..Hα-helixtrans-55.5-42179.4178.962.6000111.8S196 Y197 W203 K204S196-L200 VanDerWaalsContact O-CB 3.27Å; S196-L200 WeakPolarHBondContact O-CB 3.42Å; S196-L200 PolarHBondContact O-N 3.33Å; Y197-L200 PolarHBondContact O-N 2.98Å; L200-W203 PolarHBondContact O-N 2.89Å; L200-K204 HydrophobicContact CD1-CG 4.17Å; L200-K204 WeakPolarHBondContact O-CB 3.33Å; L200-K204 VanDerWaalsContact O-CG 3.28Å; L200-K204 WeakPolarHBondContact O-CG 3.41Å; L200-K204 PolarHBondContact O-N 3.32Å
201M96Very high91.7Very high48 Ų4870.7 Ų70.724%0.23638%0.384CS..Hα-helixtrans-58.5-47.8175178.6-78.9-64.200111Y185 V188 I192 Y197 F198 E199 K204 A205Y185-M201 HydrophobicContact CE1-CE 4.36Å; V188-M201 HydrophobicContact CG1-CE 3.93Å; I192-M201 HydrophobicContact CD1-CE 4.17Å; Y197-M201 WeakPolarHBondContact O-CB 3.22Å; Y197-M201 PolarHBondContact O-N 3.5Å; F198-M201 HydrophobicContact CD2-CE 4.01Å; F198-M201 HydrophobicContact CE2-CE 3.94Å; F198-M201 WeakPolarHBondContact O-CB 3.3Å; F198-M201 PolarHBondContact O-N 3.49Å; E199-M201 PolarHBondContact O-N 3.13Å; M201-K204 PolarHBondContact O-N 3.16Å; M201-A205 VanDerWaalsContact O-CB 3.28Å; M201-A205 WeakPolarHBondContact O-CB 3.36Å; M201-A205 PolarHBondContact O-N 3.07Å; M201-A205 HydrophobicContact SD-CB 4.49Å
202M96.6Very high92.2Very high0 Ų070.4 Ų70.40%038%0.375CS..Hα-helixtrans-63.4-44.5177.5-67.6-62.7-68.100112.7V115 V116 A119 Y185 F198 E199 K204 A205 Y206V115-M202 HydrophobicContact CB-CB 4.48Å; V115-M202 HydrophobicContact CG1-CB 4.07Å; V115-M202 HydrophobicContact CG1-CG 3.98Å; V115-M202 HydrophobicContact CG2-CB 3.6Å; V115-M202 HydrophobicContact CG2-CG 4.41Å; V116-M202 HydrophobicContact CB-CE 4.38Å; V116-M202 HydrophobicContact CG2-CE 3.86Å; A119-M202 HydrophobicContact CB-CE 3.63Å; Y185-M202 HydrophobicContact CD1-CE 3.96Å; Y185-M202 HydrophobicContact CD1-SD 3.41Å; Y185-M202 WeakPolarHBondContact CD1-SD 3.26Å; Y185-M202 HydrophobicContact CD2-CE 4.1Å; Y185-M202 HydrophobicContact CE1-CE 3.82Å; Y185-M202 HydrophobicContact CE1-SD 3.14Å; Y185-M202 WeakPolarHBondContact CE1-SD 3.2Å; Y185-M202 HydrophobicContact CE2-CE 3.93Å; Y185-M202 HydrophobicContact CE2-SD 4.36Å; Y185-M202 HydrophobicContact CG-CE 4.12Å; Y185-M202 HydrophobicContact CG-SD 4.17Å; F198-M202 HydrophobicContact CD1-CG 4.1Å; F198-M202 HydrophobicContact CE1-CG 3.71Å; F198-M202 HydrophobicContact CE1-SD 4.46Å; F198-M202 HydrophobicContact CZ-CG 4.04Å; F198-M202 HydrophobicContact CZ-SD 4.25Å; F198-M202 WeakPolarHBondContact O-CG 3.28Å; F198-M202 PolarHBondContact O-N 3.37Å; E199-M202 WeakPolarHBondContact O-CA 2.99Å; E199-M202 WeakPolarHBondContact O-CB 3.29Å; E199-M202 PolarHBondContact O-N 3.39Å; M202-K204 VanDerWaalsContact C-N 3.3Å; M202-K204 PolarHBondContact O-N 2.96Å; M202-A205 PolarHBondContact O-N 2.9Å; M202-Y206 HydrophobicContact CE-CD2 3.84Å; M202-Y206 HydrophobicContact CE-CE2 3.62Å; M202-Y206 PolarHBondContact O-N 2.85Å; M202-Y206 HydrophobicContact SD-CD2 4.47Å; M202-Y206 HydrophobicContact SD-CE2 4.22Å
203W95.5Very high92.5Very high103 Ų10373.4 Ų73.439%0.3939%0.392SS..Hα-helixtrans-58.9-41.9176.4-80.298.7000111.5E199 L200 G207 L208E199-W203 PolarHBondContact O-N 3.26Å; L200-W203 PolarHBondContact O-N 2.89Å; W203-G207 WeakPolarHBondContact O-CA 3.4Å; W203-G207 PolarHBondContact O-N 2.88Å; W203-L208 HydrophobicContact CD2-CB 3.71Å; W203-L208 HydrophobicContact CE3-CB 3.3Å; W203-L208 HydrophobicContact CG-CB 4.37Å; W203-L208 HydrophobicContact CH2-CB 4.18Å; W203-L208 HydrophobicContact CZ3-CB 3.58Å; W203-L208 WeakPolarHBondContact CZ3-O 3.36Å; W203-L208 WeakPolarHBondContact CZ3-OXT 3.44Å; W203-L208 PolarHBondContact O-N 3.29Å
204K94.1Very high93.1Very high164 Ų16467.1 Ų67.171%0.71336%0.358SS*.Hα-helixtrans-72.6-42.7177.8-68.8-63.2-177.9-173.60112.8L200 M201 M202 Y206L200-K204 HydrophobicContact CD1-CG 4.17Å; L200-K204 WeakPolarHBondContact O-CB 3.33Å; L200-K204 VanDerWaalsContact O-CG 3.28Å; L200-K204 WeakPolarHBondContact O-CG 3.41Å; L200-K204 PolarHBondContact O-N 3.32Å; M201-K204 PolarHBondContact O-N 3.16Å; M202-K204 VanDerWaalsContact C-N 3.3Å; M202-K204 PolarHBondContact O-N 2.96Å; K204-Y206 PolarHBondContact O-N 3.29Å
205A91.7Very high93.5Very high64 Ų6468.3 Ų68.353%0.52936%0.358SS..Hα-helixtrans-63.7-41.5-178.700000112M201 M202M201-A205 VanDerWaalsContact O-CB 3.28Å; M201-A205 WeakPolarHBondContact O-CB 3.36Å; M201-A205 PolarHBondContact O-N 3.07Å; M201-A205 HydrophobicContact SD-CB 4.49Å; M202-A205 PolarHBondContact O-N 2.9Å
206Y91.4Very high93.8Very high30 Ų3069.1 Ų69.112%0.11836%0.362CS..Hα-helixtrans-103.2-5.1-175.7-70.3-73.5000114.3A119 K122 M123 F181 Y185 M202 K204 L208A119-Y206 HydrophobicContact CB-CD1 4.18Å; A119-Y206 HydrophobicContact CB-CD2 3.41Å; A119-Y206 VanDerWaalsContact CB-CD2 3.41Å; A119-Y206 HydrophobicContact CB-CE1 4.47Å; A119-Y206 HydrophobicContact CB-CE2 3.69Å; A119-Y206 HydrophobicContact CB-CG 3.65Å; K122-Y206 WeakPolarHBondContact CD-O 3.41Å; K122-Y206 VanDerWaalsContact CE-O 3.29Å; K122-Y206 WeakPolarHBondContact CE-O 3.39Å; K122-Y206 PolarHBondContact NZ-O 2.8Å; M123-Y206 HydrophobicContact CE-CE1 4.39Å; M123-Y206 HydrophobicContact CG-CD1 4.28Å; M123-Y206 HydrophobicContact CG-CE1 4.08Å; M123-Y206 HydrophobicContact SD-CD1 4.03Å; M123-Y206 HydrophobicContact SD-CE1 3.26Å; M123-Y206 WeakPolarHBondContact SD-CE1 3.43Å; F181-Y206 WeakPolarHBondContact CE2-OH 3.47Å; F181-Y206 HydrophobicContact CZ-CE1 4.36Å; F181-Y206 HydrophobicContact CZ-CE2 4.3Å; F181-Y206 AromaticContact CZ-CZ 3.76Å; F181-Y206 VanDerWaalsContact CZ-OH 3.27Å; F181-Y206 WeakPolarHBondContact CZ-OH 3.44Å; Y185-Y206 AromaticContact CE2-CE2 3.98Å; Y185-Y206 HydrophobicContact CE2-CE2 3.98Å; Y185-Y206 WeakPolarHBondContact CE2-OH 3.44Å; Y185-Y206 AromaticContact CZ-CE2 3.65Å; Y185-Y206 WeakPolarHBondContact OH-CE2 3.29Å; Y185-Y206 VanDerWaalsContact OH-CZ 3.29Å; Y185-Y206 PolarHBondContact OH-OH 3.45Å; M202-Y206 HydrophobicContact CE-CD2 3.84Å; M202-Y206 HydrophobicContact CE-CE2 3.62Å; M202-Y206 PolarHBondContact O-N 2.85Å; M202-Y206 HydrophobicContact SD-CD2 4.47Å; M202-Y206 HydrophobicContact SD-CE2 4.22Å; K204-Y206 PolarHBondContact O-N 3.29Å; Y206-L208 VanDerWaalsContact C-N 3.28Å; Y206-L208 PolarHBondContact O-N 3.05Å
207G89.8Confident93.9Very high46 Ų4668 Ų6847%0.47434%0.344SS..THydrogen-bonded Turntrans56.444.2-175.100000111.8K122 W203K122-G207 PolarHBondContact NZ-O 3.32Å; W203-G207 WeakPolarHBondContact O-CA 3.4Å; W203-G207 PolarHBondContact O-N 2.88Å
208L90.5Very high93.9Very high73 Ų7361.1 Ų61.138%0.38232%0.324SS..  trans-62.50179.3-65.7177.5000111.6V115 K118 A119 K122 W203 Y206V115-L208 HydrophobicContact CG2-CD1 3.61Å; K118-L208 HydrophobicContact CB-CD1 3.89Å; K118-L208 HydrophobicContact CB-CD2 4.08Å; A119-L208 HydrophobicContact CB-CD1 4.48Å; K122-L208 HydrophobicContact CB-CD2 4.25Å; K122-L208 HydrophobicContact CD-CD2 3.9Å; W203-L208 HydrophobicContact CD2-CB 3.71Å; W203-L208 HydrophobicContact CE3-CB 3.3Å; W203-L208 HydrophobicContact CG-CB 4.37Å; W203-L208 HydrophobicContact CH2-CB 4.18Å; W203-L208 HydrophobicContact CZ3-CB 3.58Å; W203-L208 WeakPolarHBondContact CZ3-O 3.36Å; W203-L208 WeakPolarHBondContact CZ3-OXT 3.44Å; W203-L208 PolarHBondContact O-N 3.29Å; Y206-L208 VanDerWaalsContact C-N 3.28Å; Y206-L208 PolarHBondContact O-N 3.05Å

Retrieved 208 of 208 residues in 157.2 ms (Link to these results)

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