A0A087YSJ8_POEFO Loading...

Leucine rich repeat containing 8 VRAC subunit Da

AlphaFold DB , UniProt , Accession A0A087YSJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 841 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
1M56.7Low65.7Low175 Ų17579.5 Ų79.586%0.86243%0.43SS*.  0114.50-155.7174.6-170.500105.7T44M1-T44 HydrophobicContact CE-CG2 3.15Å; M1-T44 VanDerWaalsContact CE-OG1 3.23Å; M1-T44 WeakPolarHBondContact CE-OG1 3.45Å
2F64.7Low65.4Low132 Ų13283.3 Ų83.358%0.57945%0.45SS*.  trans-72.3135.6-175.7-60.2-76.9000110V7F2-V7 HydrophobicContact CB-CG2 4.13Å
3T67.9Low65.3Low61 Ų6179.8 Ų79.837%0.37443%0.43SS..  trans-79.9144.7171.7620000109.6T5 E6 V7T3-T5 WeakPolarHBondContact CB-OG1 3.49Å; T3-T5 PolarHBondContact O-N 3.29Å; T3-T5 VanDerWaalsContact O-N 3.15Å; T3-T5 PolarHBondContact OG1-OG1 3.04Å; T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact O-N 3.15Å; T3-E6 VanDerWaalsContact OG1-CG 3.24Å; T3-E6 WeakPolarHBondContact OG1-CG 3.07Å; T3-E6 PolarHBondContact OG1-N 3.2Å; T3-E6 PolarHBondContact OG1-OE1 3.31Å; T3-V7 PolarHBondContact O-N 3.48Å
4L67.6Low65.3Low72 Ų7281.4 Ų81.438%0.37743%0.434SS..Hα-helixtrans-55.6-32.9176.7-176.269.4000111.2V7 A8 L36 M37 I40L4-V7 PolarHBondContact O-N 3.29Å; L4-A8 WeakPolarHBondContact O-CB 3.38Å; L4-A8 PolarHBondContact O-N 3.4Å; L4-L36 HydrophobicContact CD1-CD2 4.06Å; L4-L36 HydrophobicContact CD1-CG 4.16Å; L4-M37 HydrophobicContact CD1-CG 3.8Å; L4-M37 HydrophobicContact CD2-CG 3.87Å; L4-M37 HydrophobicContact CD2-SD 4.33Å; L4-I40 HydrophobicContact CD1-CD1 3.84Å
5T67.8Low65.2Low109 Ų10982.1 Ų82.167%0.66944%0.444SS*.Hα-helixtrans-64.9-40.8178.140.20000113.6T3 V7 S9T3-T5 WeakPolarHBondContact CB-OG1 3.49Å; T3-T5 PolarHBondContact O-N 3.29Å; T3-T5 VanDerWaalsContact O-N 3.15Å; T3-T5 PolarHBondContact OG1-OG1 3.04Å; T5-V7 VanDerWaalsContact C-N 3.33Å; T5-V7 PolarHBondContact O-N 3.04Å; T5-S9 PolarHBondContact O-N 3.02Å
6E68.6Low65.4Low109 Ų10981.5 Ų81.551%0.50945%0.445SS..Hα-helixtrans-64-40.3177.6-79158.2-143.600111.5T3 S9T3-E6 PolarHBondContact O-N 3.2Å; T3-E6 VanDerWaalsContact O-N 3.15Å; T3-E6 VanDerWaalsContact OG1-CG 3.24Å; T3-E6 WeakPolarHBondContact OG1-CG 3.07Å; T3-E6 PolarHBondContact OG1-N 3.2Å; T3-E6 PolarHBondContact OG1-OE1 3.31Å; E6-S9 PolarHBondContact O-OG 3.38Å
7V67.6Low66.2Low18 Ų1877.8 Ų77.811%0.10942%0.423CS..Hα-helixtrans-84.8-31.5-175.8-1730000112.2F2 T3 L4 T5 S9 L10 L36 L159F2-V7 HydrophobicContact CB-CG2 4.13Å; T3-V7 PolarHBondContact O-N 3.48Å; L4-V7 PolarHBondContact O-N 3.29Å; T5-V7 VanDerWaalsContact C-N 3.33Å; T5-V7 PolarHBondContact O-N 3.04Å; V7-S9 PolarHBondContact O-N 3.24Å; V7-L10 HydrophobicContact CG1-CD1 4.37Å; V7-L10 WeakPolarHBondContact O-CB 3.28Å; V7-L10 PolarHBondContact O-N 3.42Å; V7-L36 HydrophobicContact CB-CD2 4.12Å; V7-L36 HydrophobicContact CG1-CD1 3.82Å; V7-L36 HydrophobicContact CG1-CD2 3.69Å; V7-L36 HydrophobicContact CG1-CG 4.38Å; V7-L159 HydrophobicContact CG1-CD2 3.42Å; V7-L159 VanDerWaalsContact CG1-CD2 3.42Å
8A65.5Low67Low31 Ų3183.2 Ų83.226%0.25644%0.436SS..Hα-helixtrans-64.9-25.917500000112.8L4 L10 N11 L33L4-A8 WeakPolarHBondContact O-CB 3.38Å; L4-A8 PolarHBondContact O-N 3.4Å; A8-L10 PolarHBondContact O-N 3.14Å; A8-L10 VanDerWaalsContact O-N 3.16Å; A8-N11 WeakPolarHBondContact O-CB 3.29Å; A8-N11 PolarHBondContact O-N 3.1Å; A8-L33 HydrophobicContact CB-CD2 4.33Å
9S65.8Low68Low67 Ų6780.1 Ų80.147%0.46942%0.419SS..G310 helixtrans-58.6-24.9175.474.70000113.7T5 E6 V7 N11 D12T5-S9 PolarHBondContact O-N 3.02Å; E6-S9 PolarHBondContact O-OG 3.38Å; V7-S9 PolarHBondContact O-N 3.24Å; S9-N11 PolarHBondContact O-N 3.29Å; S9-D12 VanDerWaalsContact O-CB 3.3Å; S9-D12 WeakPolarHBondContact O-CB 3.46Å; S9-D12 PolarHBondContact O-N 3.03Å
10L63.7Low69Low80 Ų8076.1 Ų76.142%0.41940%0.398SS..G310 helixtrans-65.7-24175.6-66.2170.6000112.5V7 A8 L159 K170V7-L10 HydrophobicContact CG1-CD1 4.37Å; V7-L10 WeakPolarHBondContact O-CB 3.28Å; V7-L10 PolarHBondContact O-N 3.42Å; A8-L10 PolarHBondContact O-N 3.14Å; A8-L10 VanDerWaalsContact O-N 3.16Å; L10-L159 HydrophobicContact CD1-CD2 4.04Å; L10-K170 PolarHBondContact O-NZ 3.2Å
11N66.7Low69.9Low21 Ų2173.3 Ų73.311%0.11238%0.383CS..G310 helixtrans-93.10.6175.4-154.625.9000113.2A8 S9 I13 M162 N166A8-N11 WeakPolarHBondContact O-CB 3.29Å; A8-N11 PolarHBondContact O-N 3.1Å; S9-N11 PolarHBondContact O-N 3.29Å; N11-I13 PolarHBondContact O-N 3.2Å; N11-M162 HydrophobicContact CB-CE 3.67Å; N11-N166 PolarHBondContact OD1-ND2 2.77Å
12D62.2Low71.5Confident124 Ų12465 Ų6566%0.66334%0.343SS*.  trans-75.1129.3-179.4-153.70.9000110.1S9S9-D12 VanDerWaalsContact O-CB 3.3Å; S9-D12 WeakPolarHBondContact O-CB 3.46Å; S9-D12 PolarHBondContact O-N 3.03Å
13I64.3Low72.8Confident38 Ų3865.4 Ų65.420%0.19534%0.34CS..  trans-138.3143-172.2-59.1167.6000107.6N11 Y17 N166N11-I13 PolarHBondContact O-N 3.2Å; I13-Y17 HydrophobicContact CG2-CD2 3.73Å; I13-Y17 HydrophobicContact CG2-CG 4.39Å; I13-N166 WeakPolarHBondContact CD1-OD1 3.35Å
14Q64.7Low73.9Confident102 Ų10262.6 Ų62.648%0.47732%0.323SS..  trans-54.7134.7174.3-69.3-177.2-12.500111.3T16 Y17Q14-T16 PolarHBondContact O-N 3.22Å; Q14-T16 VanDerWaalsContact O-N 3.11Å; Q14-Y17 HydrophobicContact CB-CD2 4Å; Q14-Y17 HydrophobicContact CB-CE2 4.04Å; Q14-Y17 HydrophobicContact CG-CE2 4.4Å; Q14-Y17 PolarHBondContact O-N 2.64Å; Q14-Y17 VanDerWaalsContact O-N 3.12Å; Q14-Y17 PolarHBondContact OE1-OH 3.14Å
15P64.8Low74.9Confident92 Ų9259.8 Ų59.860%0.59731%0.308SS*.G310 helixtrans-61.9-23.5-176.223.9-33.4000113.2Y17 R18P15-Y17 VanDerWaalsContact C-N 3.29Å; P15-Y17 PolarHBondContact O-N 3.1Å; P15-R18 WeakPolarHBondContact O-CB 3.32Å; P15-R18 VanDerWaalsContact O-CG 3.3Å; P15-R18 WeakPolarHBondContact O-CG 3.38Å; P15-R18 PolarHBondContact O-N 3.08Å
16T67.1Low76Confident73 Ų7357.2 Ų57.245%0.44829%0.292SS..G310 helixtrans-64.4-27.3177.346.10000113.5Q14 R18Q14-T16 PolarHBondContact O-N 3.22Å; Q14-T16 VanDerWaalsContact O-N 3.11Å; T16-R18 VanDerWaalsContact C-N 3.27Å; T16-R18 PolarHBondContact O-N 3.11Å
17Y79.9Confident77.1Confident19 Ų1956.4 Ų56.48%0.07529%0.287CS..G310 helixtrans-81.4-2.6179.7-58.8-33.7000114.1I13 Q14 P15 I19 L20 F169 I178 V182I13-Y17 HydrophobicContact CG2-CD2 3.73Å; I13-Y17 HydrophobicContact CG2-CG 4.39Å; Q14-Y17 HydrophobicContact CB-CD2 4Å; Q14-Y17 HydrophobicContact CB-CE2 4.04Å; Q14-Y17 HydrophobicContact CG-CE2 4.4Å; Q14-Y17 PolarHBondContact O-N 2.64Å; Q14-Y17 VanDerWaalsContact O-N 3.12Å; Q14-Y17 PolarHBondContact OE1-OH 3.14Å; P15-Y17 VanDerWaalsContact C-N 3.29Å; P15-Y17 PolarHBondContact O-N 3.1Å; Y17-I19 PolarHBondContact O-N 3.01Å; Y17-L20 PolarHBondContact O-N 3.29Å; Y17-F169 HydrophobicContact CD2-CD1 4.11Å; Y17-F169 HydrophobicContact CG-CD1 4.11Å; Y17-F169 HydrophobicContact CG-CE1 4.27Å; Y17-I178 HydrophobicContact CD1-CG2 4.13Å; Y17-I178 HydrophobicContact CE1-CG2 4.08Å; Y17-V182 HydrophobicContact CD1-CG2 4.3Å
18R79.8Confident78.1Confident175 Ų17555.9 Ų55.966%0.6628%0.283SS*.G310 helixtrans-59.2-29.3177.3-72.3-179.8179.1-176.50.9113.1P15 T16 L20 K21P15-R18 WeakPolarHBondContact O-CB 3.32Å; P15-R18 VanDerWaalsContact O-CG 3.3Å; P15-R18 WeakPolarHBondContact O-CG 3.38Å; P15-R18 PolarHBondContact O-N 3.08Å; T16-R18 VanDerWaalsContact C-N 3.27Å; T16-R18 PolarHBondContact O-N 3.11Å; R18-L20 PolarHBondContact O-N 3.26Å; R18-K21 PolarHBondContact O-N 3.09Å; R18-K21 VanDerWaalsContact O-N 3.08Å
19I86.2Confident79.2Confident23 Ų2355.5 Ų55.512%0.11828%0.277CS..G310 helixtrans-63.4-23.6178.8-53.6167.9000111.5Y17 L185 V407 Y410 Y414Y17-I19 PolarHBondContact O-N 3.01Å; I19-L185 HydrophobicContact CG2-CD2 4.15Å; I19-V407 HydrophobicContact CG2-CG1 4.21Å; I19-V407 HydrophobicContact CG2-CG2 4.25Å; I19-Y410 HydrophobicContact CB-CD1 4.43Å; I19-Y410 HydrophobicContact CG1-CE1 4.35Å; I19-Y410 HydrophobicContact CG2-CD1 3.96Å; I19-Y410 HydrophobicContact CG2-CE1 4.4Å; I19-Y410 HydrophobicContact CG2-CG 4.48Å; I19-Y410 VanDerWaalsContact O-CB 3.31Å; I19-Y410 WeakPolarHBondContact O-CB 3.47Å; I19-Y414 HydrophobicContact CD1-CE1 4.42Å; I19-Y414 HydrophobicContact CG2-CD2 4.42Å; I19-Y414 HydrophobicContact CG2-CE2 4.36Å
20L88.1Confident80.4Confident0 Ų059.7 Ų59.70%028%0.284CS..G310 helixtrans-97.86.7179-72.8167.2000113.4Y17 R18 P22 W168 F169 I178 F181 V182 L403 M406 V407Y17-L20 PolarHBondContact O-N 3.29Å; R18-L20 PolarHBondContact O-N 3.26Å; L20-P22 WeakPolarHBondContact O-CD 3.46Å; L20-W168 HydrophobicContact CB-CH2 4.36Å; L20-F169 HydrophobicContact CB-CE1 4.14Å; L20-F169 HydrophobicContact CB-CZ 4.18Å; L20-F169 HydrophobicContact CD1-CE1 4.32Å; L20-I178 HydrophobicContact CD1-CG2 3.47Å; L20-I178 VanDerWaalsContact CD1-CG2 3.47Å; L20-F181 HydrophobicContact CD2-CD1 4.39Å; L20-F181 HydrophobicContact CD2-CE1 4.09Å; L20-V182 HydrophobicContact CD1-CG2 3.59Å; L20-V182 HydrophobicContact CG-CG2 4.3Å; L20-L403 HydrophobicContact CD1-CD2 4.47Å; L20-L403 HydrophobicContact CD2-CD2 3.94Å; L20-M406 HydrophobicContact CD2-CB 4.08Å; L20-V407 HydrophobicContact CD2-CG2 3.83Å
21K88.8Confident81.7Confident19 Ų1956.5 Ų56.58%0.08327%0.267CS..  trans-106.4105.9177.8-74-162.3167.8-163.30110.7R18 V26 D29 N166 F169R18-K21 PolarHBondContact O-N 3.09Å; R18-K21 VanDerWaalsContact O-N 3.08Å; K21-V26 HydrophobicContact CB-CG2 3.94Å; K21-D29 IonicContact NZ-OD1 3.92Å; K21-D29 IonicContact NZ-OD2 2.99Å; K21-D29 PolarHBondContact NZ-OD2 2.79Å; K21-N166 PolarHBondContact NZ-OD1 3.34Å; K21-F169 HydrophobicContact CG-CE2 4.22Å; K21-F169 HydrophobicContact CG-CZ 4.14Å
22P90.1Very high82.7Confident1 Ų155.7 Ų55.71%0.00626%0.264CS..  trans-64.9167.1170-2134.3000111.6L20 W24 D25 V26 M406 Q409L20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-W24 HydrophobicContact CB-CD2 3.58Å; P22-W24 VanDerWaalsContact CB-CE2 3.4Å; P22-W24 HydrophobicContact CB-CE3 3.66Å; P22-W24 HydrophobicContact CB-CG 4.38Å; P22-W24 HydrophobicContact CB-CH2 3.52Å; P22-W24 HydrophobicContact CB-CZ2 3.4Å; P22-W24 HydrophobicContact CB-CZ3 3.63Å; P22-W24 HydrophobicContact CG-CD2 4.35Å; P22-W24 HydrophobicContact CG-CH2 3.85Å; P22-W24 HydrophobicContact CG-CZ2 3.39Å; P22-W24 HydrophobicContact CG-CZ3 4.46Å; P22-W24 PolarHBondContact O-N 2.91Å; P22-W24 VanDerWaalsContact O-N 3.1Å; P22-D25 PolarHBondContact O-N 3.33Å; P22-D25 VanDerWaalsContact O-N 3.1Å; P22-V26 PolarHBondContact O-N 3.36Å; P22-M406 HydrophobicContact CG-CE 3.64Å; P22-M406 HydrophobicContact CG-SD 4.12Å; P22-Q409 HydrophobicContact CB-CB 4.23Å; P22-Q409 HydrophobicContact CG-CB 4.3Å
23W91.1Very high84Confident140 Ų14052.1 Ų52.153%0.5325%0.245SC..Hα-helixtrans-55.8-32.8-177.668.3-96.4000113.7F27 Y366W23-F27 WeakPolarHBondContact O-CB 3.43Å; W23-F27 PolarHBondContact O-N 3.25Å; W23-Y366 HydrophobicContact CH2-CD1 4.16Å; W23-Y366 HydrophobicContact CH2-CE1 4.07Å; W23-Y366 AromaticContact CZ2-CD1 3.96Å; W23-Y366 HydrophobicContact CZ2-CD1 3.96Å; W23-Y366 AromaticContact CZ2-CE1 3.4Å; W23-Y366 HydrophobicContact CZ2-CE1 3.4Å; W23-Y366 VanDerWaalsContact CZ2-CE1 3.4Å; W23-Y366 AromaticContact CZ2-CZ 3.74Å
24W91.5Very high85.3Confident1 Ų153.7 Ų53.70%0.00426%0.256CS..Hα-helixtrans-70-42.417956.483.7000112.1P22 V26 F27 M28 Y293 T363 Y366 W370 Q409P22-W24 HydrophobicContact CB-CD2 3.58Å; P22-W24 VanDerWaalsContact CB-CE2 3.4Å; P22-W24 HydrophobicContact CB-CE3 3.66Å; P22-W24 HydrophobicContact CB-CG 4.38Å; P22-W24 HydrophobicContact CB-CH2 3.52Å; P22-W24 HydrophobicContact CB-CZ2 3.4Å; P22-W24 HydrophobicContact CB-CZ3 3.63Å; P22-W24 HydrophobicContact CG-CD2 4.35Å; P22-W24 HydrophobicContact CG-CH2 3.85Å; P22-W24 HydrophobicContact CG-CZ2 3.39Å; P22-W24 HydrophobicContact CG-CZ3 4.46Å; P22-W24 PolarHBondContact O-N 2.91Å; P22-W24 VanDerWaalsContact O-N 3.1Å; W24-V26 VanDerWaalsContact C-N 3.32Å; W24-V26 PolarHBondContact O-N 3.07Å; W24-F27 PolarHBondContact O-N 3.44Å; W24-M28 WeakPolarHBondContact O-CB 3.49Å; W24-M28 WeakPolarHBondContact O-CG 3.48Å; W24-M28 PolarHBondContact O-N 3.01Å; W24-Y293 PolarHBondContact NE1-OH 2.67Å; W24-Y293 VanDerWaalsContact NE1-OH 3.16Å; W24-T363 HydrophobicContact CB-CG2 3.64Å; W24-Y366 HydrophobicContact CD2-CE1 4.33Å; W24-Y366 HydrophobicContact CE3-CD1 4.45Å; W24-Y366 AromaticContact CE3-CE1 3.74Å; W24-Y366 HydrophobicContact CE3-CE1 3.74Å; W24-Y366 HydrophobicContact CZ3-CE1 4.09Å; W24-W370 AromaticContact CH2-CD2 3.98Å; W24-W370 HydrophobicContact CH2-CD2 3.98Å; W24-W370 AromaticContact CH2-CE2 3.91Å; W24-W370 HydrophobicContact CH2-CE3 4.29Å; W24-W370 HydrophobicContact CH2-CG 4.37Å; W24-W370 HydrophobicContact CH2-CZ2 4.21Å; W24-W370 HydrophobicContact CZ2-CD2 4.13Å; W24-W370 AromaticContact CZ2-CE3 3.99Å; W24-W370 HydrophobicContact CZ2-CE3 3.99Å; W24-W370 HydrophobicContact CZ2-CH2 4.46Å; W24-W370 HydrophobicContact CZ2-CZ3 4.15Å; W24-Q409 HydrophobicContact CH2-CB 4.42Å; W24-Q409 HydrophobicContact CH2-CG 3.96Å
25D89.4Confident86.5Confident14 Ų1448.9 Ų48.98%0.07523%0.233CC..Hα-helixtrans-66.4-38.9178.8-78-26.5000110.6P22 M28 D29 Y293P22-D25 PolarHBondContact O-N 3.33Å; P22-D25 VanDerWaalsContact O-N 3.1Å; D25-M28 PolarHBondContact O-N 3.47Å; D25-D29 VanDerWaalsContact O-CG 3.3Å; D25-D29 PolarHBondContact O-N 3.46Å; D25-D29 VanDerWaalsContact O-N 3.08Å; D25-Y293 PolarHBondContact OD2-OH 3.23Å
26V89.9Confident87.7Confident55 Ų5544.5 Ų44.533%0.33321%0.205SC..Hα-helixtrans-61.4-46.9172.7177.40000111.2K21 P22 W24 M28 D29 Y30K21-V26 HydrophobicContact CB-CG2 3.94Å; P22-V26 PolarHBondContact O-N 3.36Å; W24-V26 VanDerWaalsContact C-N 3.32Å; W24-V26 PolarHBondContact O-N 3.07Å; V26-M28 VanDerWaalsContact C-N 3.31Å; V26-M28 PolarHBondContact O-N 3.27Å; V26-D29 PolarHBondContact O-N 2.7Å; V26-Y30 HydrophobicContact CG1-CD2 3.97Å; V26-Y30 HydrophobicContact CG1-CE2 3.57Å; V26-Y30 WeakPolarHBondContact O-CD2 3.29Å; V26-Y30 PolarHBondContact O-N 2.89Å
27F91.7Very high88.8Confident92 Ų9246.1 Ų46.140%0.40421%0.209SC..Hα-helixtrans-61.6-39.5178.5-175.9-114.9000112.2W23 W24 Y30 L31 I359 T363W23-F27 WeakPolarHBondContact O-CB 3.43Å; W23-F27 PolarHBondContact O-N 3.25Å; W24-F27 PolarHBondContact O-N 3.44Å; F27-Y30 PolarHBondContact O-N 3.35Å; F27-L31 HydrophobicContact CE1-CD2 4.44Å; F27-L31 WeakPolarHBondContact O-CB 3.24Å; F27-L31 PolarHBondContact O-N 3.17Å; F27-I359 HydrophobicContact CE1-CG2 3.77Å; F27-I359 HydrophobicContact CZ-CG2 3.92Å; F27-T363 HydrophobicContact CD1-CG2 4.23Å
28M89.9Confident89.3Confident6 Ų646.1 Ų46.13%0.0321%0.21CC..Hα-helixtrans-66.4-34.9177.7-69.1-68.5-132.900113.3W24 D25 V26 L31 G32 Y360 T363 C364W24-M28 WeakPolarHBondContact O-CB 3.49Å; W24-M28 WeakPolarHBondContact O-CG 3.48Å; W24-M28 PolarHBondContact O-N 3.01Å; D25-M28 PolarHBondContact O-N 3.47Å; V26-M28 VanDerWaalsContact C-N 3.31Å; V26-M28 PolarHBondContact O-N 3.27Å; M28-L31 PolarHBondContact O-N 2.99Å; M28-G32 PolarHBondContact O-N 3.1Å; M28-Y360 HydrophobicContact CB-CE2 3.98Å; M28-Y360 HydrophobicContact CE-CD1 3.95Å; M28-Y360 HydrophobicContact CE-CD2 4.22Å; M28-Y360 HydrophobicContact CE-CE1 3.87Å; M28-Y360 HydrophobicContact CE-CE2 4.15Å; M28-Y360 HydrophobicContact CE-CG 4.1Å; M28-Y360 WeakPolarHBondContact CE-O 3.37Å; M28-Y360 HydrophobicContact CG-CE2 4.24Å; M28-Y360 HydrophobicContact SD-CD1 4.05Å; M28-Y360 HydrophobicContact SD-CD2 3.26Å; M28-Y360 WeakPolarHBondContact SD-CD2 3.32Å; M28-Y360 HydrophobicContact SD-CE1 4.13Å; M28-Y360 HydrophobicContact SD-CE2 3.35Å; M28-Y360 WeakPolarHBondContact SD-CE2 3.47Å; M28-Y360 HydrophobicContact SD-CG 3.61Å; M28-T363 HydrophobicContact CE-CG2 3.73Å; M28-T363 HydrophobicContact CG-CG2 3.79Å; M28-T363 HydrophobicContact SD-CG2 3.84Å; M28-C364 HydrophobicContact CE-CB 3.84Å; M28-C364 WeakPolarHBondContact CE-SG 3.13Å
29D88.3Confident89.8Confident23 Ų2337.8 Ų37.812%0.12318%0.178CC..Hα-helixtrans-64.6-45.2175.1-68.8-25.5000111.1K21 D25 V26 G32 L33K21-D29 IonicContact NZ-OD1 3.92Å; K21-D29 IonicContact NZ-OD2 2.99Å; K21-D29 PolarHBondContact NZ-OD2 2.79Å; D25-D29 VanDerWaalsContact O-CG 3.3Å; D25-D29 PolarHBondContact O-N 3.46Å; D25-D29 VanDerWaalsContact O-N 3.08Å; V26-D29 PolarHBondContact O-N 2.7Å; D29-G32 PolarHBondContact O-N 2.99Å; D29-L33 WeakPolarHBondContact O-CG 3.44Å; D29-L33 PolarHBondContact O-N 2.99Å
30Y89.6Confident90Very high155 Ų15538 Ų3861%0.60818%0.18SC*.Hα-helixtrans-64.4-42.4175.7-73.3-66.1000111.9V26 F27 G32 L33 V34V26-Y30 HydrophobicContact CG1-CD2 3.97Å; V26-Y30 HydrophobicContact CG1-CE2 3.57Å; V26-Y30 WeakPolarHBondContact O-CD2 3.29Å; V26-Y30 PolarHBondContact O-N 2.89Å; F27-Y30 PolarHBondContact O-N 3.35Å; Y30-G32 VanDerWaalsContact C-N 3.32Å; Y30-G32 PolarHBondContact O-N 3.02Å; Y30-L33 WeakPolarHBondContact O-CB 3.06Å; Y30-L33 PolarHBondContact O-N 3.07Å; Y30-V34 WeakPolarHBondContact O-CG2 3.28Å; Y30-V34 PolarHBondContact O-N 3.38Å
31L91Very high90.1Very high13 Ų1343 Ų437%0.06820%0.201CC..Hα-helixtrans-64.3-39.4177.6-171.255.4000111.6F27 M28 L33 V34 M35 L356 I359 Y360F27-L31 HydrophobicContact CE1-CD2 4.44Å; F27-L31 WeakPolarHBondContact O-CB 3.24Å; F27-L31 PolarHBondContact O-N 3.17Å; M28-L31 PolarHBondContact O-N 2.99Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.16Å; L31-V34 PolarHBondContact O-N 2.92Å; L31-M35 HydrophobicContact CG-SD 4.33Å; L31-M35 WeakPolarHBondContact O-CB 3.44Å; L31-M35 VanDerWaalsContact O-CG 3.26Å; L31-M35 WeakPolarHBondContact O-CG 3.44Å; L31-M35 PolarHBondContact O-N 3.23Å; L31-L356 HydrophobicContact CD1-CB 4.19Å; L31-L356 HydrophobicContact CD1-CD2 3.62Å; L31-L356 HydrophobicContact CD1-CG 4.47Å; L31-I359 HydrophobicContact CD2-CB 4.23Å; L31-I359 HydrophobicContact CD2-CG2 3.9Å; L31-Y360 HydrophobicContact CB-CD2 4.33Å; L31-Y360 VanDerWaalsContact CD2-CA 3.44Å; L31-Y360 VanDerWaalsContact CD2-CB 3.5Å; L31-Y360 HydrophobicContact CD2-CD2 3.87Å; L31-Y360 HydrophobicContact CD2-CG 4.16Å; L31-Y360 HydrophobicContact CG-CD2 4.1Å
32G89.3Confident90.1Very high4 Ų442 Ų424%0.04120%0.197CC..Hα-helixtrans-59.7-41.7171.900000112.8M28 D29 Y30 M35 L36 T158M28-G32 PolarHBondContact O-N 3.1Å; D29-G32 PolarHBondContact O-N 2.99Å; Y30-G32 VanDerWaalsContact C-N 3.32Å; Y30-G32 PolarHBondContact O-N 3.02Å; G32-M35 PolarHBondContact O-N 2.98Å; G32-L36 WeakPolarHBondContact O-CB 3.47Å; G32-L36 PolarHBondContact O-N 3.25Å; G32-T158 VanDerWaalsContact O-CG2 3.31Å; G32-T158 WeakPolarHBondContact O-CG2 3.19Å
33L88.8Confident90.1Very high50 Ų5043 Ų4326%0.26220%0.202SC..Hα-helixtrans-64.6-42.3174.7-71.5170.8000112.4A8 D29 Y30 L31 L36 M37 M162A8-L33 HydrophobicContact CB-CD2 4.33Å; D29-L33 WeakPolarHBondContact O-CG 3.44Å; D29-L33 PolarHBondContact O-N 2.99Å; Y30-L33 WeakPolarHBondContact O-CB 3.06Å; Y30-L33 PolarHBondContact O-N 3.07Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.16Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.49Å; L33-M37 WeakPolarHBondContact O-CG 3.33Å; L33-M37 PolarHBondContact O-N 3.38Å; L33-M162 HydrophobicContact CD2-CE 4.1Å
34V91.2Very high90Very high71 Ų7138.2 Ų38.243%0.4319%0.188SC..Hα-helixtrans-63.8-42.9176.4173.90000110.9Y30 L31 L36 M37 L38 L356Y30-V34 WeakPolarHBondContact O-CG2 3.28Å; Y30-V34 PolarHBondContact O-N 3.38Å; L31-V34 PolarHBondContact O-N 2.92Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.23Å; V34-M37 PolarHBondContact O-N 2.89Å; V34-L38 PolarHBondContact O-N 2.97Å; V34-L356 HydrophobicContact CG1-CD1 3.96Å; V34-L356 HydrophobicContact CG1-CD2 4.15Å
35M90.4Very high89.8Confident1 Ų139.4 Ų39.41%0.00519%0.194CC..Hα-helixtrans-62-37.9174.4-71.2169.654.800111.9L31 G32 L38 A39 T158 L161 Y353 L356 I357 Y360L31-M35 HydrophobicContact CG-SD 4.33Å; L31-M35 WeakPolarHBondContact O-CB 3.44Å; L31-M35 VanDerWaalsContact O-CG 3.26Å; L31-M35 WeakPolarHBondContact O-CG 3.44Å; L31-M35 PolarHBondContact O-N 3.23Å; G32-M35 PolarHBondContact O-N 2.98Å; M35-L38 PolarHBondContact O-N 3.46Å; M35-A39 WeakPolarHBondContact O-CB 3.4Å; M35-A39 PolarHBondContact O-N 3.32Å; M35-T158 HydrophobicContact CB-CG2 3.86Å; M35-L161 HydrophobicContact CE-CD1 4.04Å; M35-Y353 HydrophobicContact CE-CE2 3.76Å; M35-L356 HydrophobicContact CG-CB 3.99Å; M35-L356 HydrophobicContact CG-CD1 4.17Å; M35-I357 HydrophobicContact CE-CD1 3.26Å; M35-I357 HydrophobicContact CE-CG1 4Å; M35-I357 HydrophobicContact SD-CD1 4.19Å; M35-Y360 HydrophobicContact SD-CD2 4.38Å
36L90.4Very high89.7Confident0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-66.8-44177.9178.864.9000110.9L4 V7 G32 L33 V34 L38 A39 I40 L155 T158 M162L4-L36 HydrophobicContact CD1-CD2 4.06Å; L4-L36 HydrophobicContact CD1-CG 4.16Å; V7-L36 HydrophobicContact CB-CD2 4.12Å; V7-L36 HydrophobicContact CG1-CD1 3.82Å; V7-L36 HydrophobicContact CG1-CD2 3.69Å; V7-L36 HydrophobicContact CG1-CG 4.38Å; G32-L36 WeakPolarHBondContact O-CB 3.47Å; G32-L36 PolarHBondContact O-N 3.25Å; L33-L36 WeakPolarHBondContact O-CB 3.42Å; L33-L36 PolarHBondContact O-N 3.49Å; V34-L36 VanDerWaalsContact C-N 3.29Å; V34-L36 PolarHBondContact O-N 3.23Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.94Å; L36-A39 PolarHBondContact O-N 3.48Å; L36-I40 HydrophobicContact CD1-CD1 3.97Å; L36-I40 HydrophobicContact CD1-CG1 4.27Å; L36-I40 HydrophobicContact CG-CD1 3.92Å; L36-I40 WeakPolarHBondContact O-CG1 3.24Å; L36-I40 PolarHBondContact O-N 3.31Å; L36-L155 HydrophobicContact CD1-CD1 3.45Å; L36-L155 VanDerWaalsContact CD1-CD1 3.45Å; L36-T158 HydrophobicContact CB-CG2 3.85Å; L36-M162 HydrophobicContact CB-SD 4.33Å; L36-M162 HydrophobicContact CD2-CE 4.27Å; L36-M162 HydrophobicContact CD2-SD 4.09Å
37M89.8Confident89.5Confident107 Ų10741.8 Ų41.853%0.52720%0.203SC..Hα-helixtrans-58.5-44.4173.8-72.1179.368.300111.4L4 L33 V34 F41L4-M37 HydrophobicContact CD1-CG 3.8Å; L4-M37 HydrophobicContact CD2-CG 3.87Å; L4-M37 HydrophobicContact CD2-SD 4.33Å; L33-M37 WeakPolarHBondContact O-CG 3.33Å; L33-M37 PolarHBondContact O-N 3.38Å; V34-M37 PolarHBondContact O-N 2.89Å; M37-F41 VanDerWaalsContact O-CB 3.23Å; M37-F41 WeakPolarHBondContact O-CB 2.98Å; M37-F41 PolarHBondContact O-N 3.49Å
38L90.8Very high89.3Confident19 Ų1941.2 Ų41.210%0.09921%0.208CC..Hα-helixtrans-64-42.1177.4-173147.2000111.8V34 M35 L36 F41 A42 L349 T352 Y353 L356V34-L38 PolarHBondContact O-N 2.97Å; M35-L38 PolarHBondContact O-N 3.46Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.94Å; L38-F41 PolarHBondContact O-N 3.39Å; L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.27Å; L38-A42 PolarHBondContact O-N 3.03Å; L38-L349 HydrophobicContact CD1-CD2 4.42Å; L38-L349 HydrophobicContact CG-CD2 4.14Å; L38-T352 HydrophobicContact CD1-CG2 3.53Å; L38-Y353 HydrophobicContact CD2-CD2 4.2Å; L38-L356 HydrophobicContact CD1-CD1 4.08Å
39A90.2Very high89Confident0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-65.1-45.617800000112.2M35 L36 F41 A42 M43 L155M35-A39 WeakPolarHBondContact O-CB 3.4Å; M35-A39 PolarHBondContact O-N 3.32Å; L36-A39 PolarHBondContact O-N 3.48Å; A39-F41 VanDerWaalsContact C-N 3.35Å; A39-A42 PolarHBondContact O-N 3.42Å; A39-M43 VanDerWaalsContact O-CB 3.31Å; A39-M43 WeakPolarHBondContact O-CB 3.38Å; A39-M43 PolarHBondContact O-N 2.92Å; A39-L155 HydrophobicContact CB-CB 4.12Å; A39-L155 HydrophobicContact CB-CD1 4.37Å
40I89.8Confident88.7Confident28 Ų2846.3 Ų46.314%0.14423%0.23CC..Hα-helixtrans-64.6-40.6177-67.2171.3000110.8L4 L36 M43 T44 L155L4-I40 HydrophobicContact CD1-CD1 3.84Å; L36-I40 HydrophobicContact CD1-CD1 3.97Å; L36-I40 HydrophobicContact CD1-CG1 4.27Å; L36-I40 HydrophobicContact CG-CD1 3.92Å; L36-I40 WeakPolarHBondContact O-CG1 3.24Å; L36-I40 PolarHBondContact O-N 3.31Å; I40-M43 PolarHBondContact O-N 3.41Å; I40-T44 WeakPolarHBondContact O-CB 3.48Å; I40-T44 PolarHBondContact O-N 3.47Å; I40-T44 PolarHBondContact O-OG1 3.16Å; I40-L155 HydrophobicContact CG1-CD1 4.29Å
41F90.1Very high88.4Confident103 Ų10345 Ų4545%0.45223%0.229SC..Hα-helixtrans-62.4-48.5175.2176.6-102.6000111.6M37 L38 A39 M43 T44 M45 L349M37-F41 VanDerWaalsContact O-CB 3.23Å; M37-F41 WeakPolarHBondContact O-CB 2.98Å; M37-F41 PolarHBondContact O-N 3.49Å; L38-F41 PolarHBondContact O-N 3.39Å; A39-F41 VanDerWaalsContact C-N 3.35Å; F41-M43 VanDerWaalsContact C-N 3.32Å; F41-M43 PolarHBondContact O-N 3.13Å; F41-T44 PolarHBondContact O-N 3.31Å; F41-M45 HydrophobicContact CD1-CG 4.47Å; F41-M45 HydrophobicContact CE1-CG 4.04Å; F41-M45 HydrophobicContact CE1-SD 3.7Å; F41-M45 HydrophobicContact CE2-CG 4.1Å; F41-M45 HydrophobicContact CE2-SD 4.23Å; F41-M45 HydrophobicContact CZ-CG 3.84Å; F41-M45 HydrophobicContact CZ-SD 3.46Å; F41-M45 WeakPolarHBondContact CZ-SD 3.21Å; F41-M45 WeakPolarHBondContact O-CG 3.39Å; F41-M45 PolarHBondContact O-N 2.75Å; F41-L349 HydrophobicContact CD1-CD1 4.34Å; F41-L349 HydrophobicContact CD1-CD2 3.86Å; F41-L349 HydrophobicContact CE1-CD1 4.29Å; F41-L349 HydrophobicContact CE1-CD2 4.03Å
42A88.9Confident88.2Confident0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-60.6-41.7177.700000111.7L38 A39 M45 Q46 P151 L349L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.27Å; L38-A42 PolarHBondContact O-N 3.03Å; A39-A42 PolarHBondContact O-N 3.42Å; A42-M45 PolarHBondContact O-N 2.81Å; A42-Q46 WeakPolarHBondContact O-CB 3.23Å; A42-Q46 PolarHBondContact O-N 2.85Å; A42-P151 HydrophobicContact CB-CB 3.82Å; A42-P151 HydrophobicContact CB-CG 3.84Å; A42-L349 HydrophobicContact CB-CD1 3.95Å
43M89.1Confident88.2Confident20 Ų2047.2 Ų47.210%0.09925%0.248CC..Hα-helixtrans-65.7-42.5177.3-177.8178.2-64.200111.9A39 I40 F41 Q46 I47 P151 Y152 L155A39-M43 VanDerWaalsContact O-CB 3.31Å; A39-M43 WeakPolarHBondContact O-CB 3.38Å; A39-M43 PolarHBondContact O-N 2.92Å; I40-M43 PolarHBondContact O-N 3.41Å; F41-M43 VanDerWaalsContact C-N 3.32Å; F41-M43 PolarHBondContact O-N 3.13Å; M43-Q46 PolarHBondContact O-N 3.21Å; M43-I47 HydrophobicContact CG-CD1 3.85Å; M43-I47 WeakPolarHBondContact O-CG1 3.48Å; M43-I47 PolarHBondContact O-N 3.31Å; M43-P151 HydrophobicContact CB-CB 4.03Å; M43-Y152 HydrophobicContact CE-CD1 3.4Å; M43-Y152 HydrophobicContact CE-CE1 3.78Å; M43-Y152 HydrophobicContact CE-CG 3.99Å; M43-Y152 HydrophobicContact CG-CE1 4.1Å; M43-Y152 HydrophobicContact SD-CD1 4.21Å; M43-Y152 HydrophobicContact SD-CE1 3.97Å; M43-L155 HydrophobicContact CE-CB 4.04Å; M43-L155 HydrophobicContact CE-CD2 3.42Å; M43-L155 VanDerWaalsContact CE-CD2 3.42Å; M43-L155 HydrophobicContact CE-CG 4.34Å; M43-L155 HydrophobicContact SD-CD2 4.27Å
44T89.3Confident88.2Confident40 Ų4045 Ų4525%0.24524%0.236CC..Hα-helixtrans-61.7-47.1176.3-63.50000111.1M1 I40 F41 Q46 I47 T48M1-T44 HydrophobicContact CE-CG2 3.15Å; M1-T44 VanDerWaalsContact CE-OG1 3.23Å; M1-T44 WeakPolarHBondContact CE-OG1 3.45Å; I40-T44 WeakPolarHBondContact O-CB 3.48Å; I40-T44 PolarHBondContact O-N 3.47Å; I40-T44 PolarHBondContact O-OG1 3.16Å; F41-T44 PolarHBondContact O-N 3.31Å; T44-Q46 VanDerWaalsContact C-N 3.29Å; T44-Q46 PolarHBondContact O-N 2.96Å; T44-I47 PolarHBondContact O-N 3.11Å; T44-T48 WeakPolarHBondContact O-CB 3.32Å; T44-T48 VanDerWaalsContact O-CG2 3.3Å; T44-T48 WeakPolarHBondContact O-CG2 3.29Å; T44-T48 PolarHBondContact O-N 3.31Å; T44-T48 VanDerWaalsContact O-N 3.1Å; T44-T48 PolarHBondContact O-OG1 2.81Å
45M87.4Confident88.1Confident27 Ų2746.8 Ų46.813%0.13324%0.243CC..Hα-helixtrans-60.6-41.4176.7-75.5-140.66900111.6F41 A42 T48 K49 M342 M345F41-M45 HydrophobicContact CD1-CG 4.47Å; F41-M45 HydrophobicContact CE1-CG 4.04Å; F41-M45 HydrophobicContact CE1-SD 3.7Å; F41-M45 HydrophobicContact CE2-CG 4.1Å; F41-M45 HydrophobicContact CE2-SD 4.23Å; F41-M45 HydrophobicContact CZ-CG 3.84Å; F41-M45 HydrophobicContact CZ-SD 3.46Å; F41-M45 WeakPolarHBondContact CZ-SD 3.21Å; F41-M45 WeakPolarHBondContact O-CG 3.39Å; F41-M45 PolarHBondContact O-N 2.75Å; A42-M45 PolarHBondContact O-N 2.81Å; M45-T48 PolarHBondContact O-OG1 3.28Å; M45-K49 HydrophobicContact CE-CD 3.87Å; M45-K49 PolarHBondContact O-N 3.01Å; M45-M342 HydrophobicContact CE-SD 4.23Å; M45-M345 HydrophobicContact SD-CE 4.04Å
46Q87.1Confident88Confident10 Ų1047.3 Ų47.35%0.04725%0.246CC..Hα-helixtrans-65.8-49.8178.9-168.4178.34.900111.9A42 M43 T44 T48 D50 S147 K148 P151A42-Q46 WeakPolarHBondContact O-CB 3.23Å; A42-Q46 PolarHBondContact O-N 2.85Å; M43-Q46 PolarHBondContact O-N 3.21Å; T44-Q46 VanDerWaalsContact C-N 3.29Å; T44-Q46 PolarHBondContact O-N 2.96Å; Q46-T48 PolarHBondContact O-N 3.23Å; Q46-D50 HydrophobicContact CG-CB 4.1Å; Q46-D50 WeakPolarHBondContact O-CB 3.36Å; Q46-D50 PolarHBondContact O-N 2.94Å; Q46-S147 PolarHBondContact NE2-O 3.26Å; Q46-K148 VanDerWaalsContact NE2-C 3.31Å; Q46-K148 PolarHBondContact NE2-O 3.24Å; Q46-K148 PolarHBondContact OE1-O 3Å; Q46-P151 HydrophobicContact CB-CG 4.46Å
47I87.1Confident87.6Confident108 Ų10849.5 Ų49.555%0.55426%0.261SS*.Hα-helixtrans-62.8-32.5-179.2-67.7169.2000112.1M43 T44 Y152M43-I47 HydrophobicContact CG-CD1 3.85Å; M43-I47 WeakPolarHBondContact O-CG1 3.48Å; M43-I47 PolarHBondContact O-N 3.31Å; T44-I47 PolarHBondContact O-N 3.11Å; I47-Y152 WeakPolarHBondContact CG1-OH 3.26Å
48T86Confident86.7Confident81 Ų8147.2 Ų47.250%0.49725%0.254SS..Hα-helixtrans-91.4-26.5-17254.30000115T44 M45 Q46T44-T48 WeakPolarHBondContact O-CB 3.32Å; T44-T48 VanDerWaalsContact O-CG2 3.3Å; T44-T48 WeakPolarHBondContact O-CG2 3.29Å; T44-T48 PolarHBondContact O-N 3.31Å; T44-T48 VanDerWaalsContact O-N 3.1Å; T44-T48 PolarHBondContact O-OG1 2.81Å; M45-T48 PolarHBondContact O-OG1 3.28Å; Q46-T48 PolarHBondContact O-N 3.23Å
49K83.8Confident85.2Confident110 Ų11054.3 Ų54.348%0.47829%0.287SS..Hα-helixtrans-130.8-2.4-169.1-64.2-174.3179-177.60114.9M45 H51 N341 M342M45-K49 HydrophobicContact CE-CD 3.87Å; M45-K49 PolarHBondContact O-N 3.01Å; K49-H51 PolarHBondContact O-CD2 2.85Å; K49-H51 PolarHBondContact O-N 3.5Å; K49-N341 PolarHBondContact O-ND2 3.21Å; K49-N341 PolarHBondContact O-OD1 3.15Å; K49-M342 HydrophobicContact CB-CE 3.89Å; K49-M342 HydrophobicContact CB-SD 4.01Å; K49-M342 HydrophobicContact CD-CE 4.48Å
50D83Confident83.2Confident26 Ų2663 Ų6314%0.13933%0.328CS..  trans-69.6104.8-176.7-167.921.4000110.6Q46 Y139 H340Q46-D50 HydrophobicContact CG-CB 4.1Å; Q46-D50 WeakPolarHBondContact O-CB 3.36Å; Q46-D50 PolarHBondContact O-N 2.94Å; D50-Y139 VanDerWaalsContact OD2-CE2 3.29Å; D50-Y139 WeakPolarHBondContact OD2-CE2 3.46Å; D50-Y139 PolarHBondContact OD2-OH 3.41Å; D50-H340 IonicContact OD1-CD2 3.01Å; D50-H340 PolarHBondContact OD1-CD2 3.32Å; D50-H340 IonicContact OD1-CE1 3.48Å; D50-H340 IonicContact OD1-NE2 3.88Å; D50-H340 PolarHBondContact OD1-NE2 3.21Å
51H82.6Confident80.9Confident128 Ų12865.7 Ų65.759%0.59335%0.345SS*.  trans-137.2137.1178.3-66.9-64.9000109.5K49 N341K49-H51 PolarHBondContact O-CD2 2.85Å; K49-H51 PolarHBondContact O-N 3.5Å; H51-N341 PolarHBondContact N-OD1 2.81Å; H51-N341 VanDerWaalsContact O-CG 3.22Å; H51-N341 PolarHBondContact O-OD1 2.96Å
52V87.1Confident78.3Confident11 Ų1168.7 Ų68.77%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-112.8131.3174173.90000107.8N135 Y139 L143 C338 T339V52-N135 WeakPolarHBondContact O-CB 3.19Å; V52-N135 PolarHBondContact O-ND2 3Å; V52-Y139 HydrophobicContact CB-CD2 4.28Å; V52-Y139 HydrophobicContact CG2-CD2 3.62Å; V52-Y139 HydrophobicContact CG2-CE2 4.28Å; V52-L143 HydrophobicContact CB-CD1 4.41Å; V52-L143 HydrophobicContact CG1-CD1 4.08Å; V52-L143 HydrophobicContact CG2-CD1 3.58Å; V52-L143 HydrophobicContact CG2-CD2 3.89Å; V52-L143 HydrophobicContact CG2-CG 4.39Å; V52-C338 HydrophobicContact CG1-CB 3.88Å; V52-T339 WeakPolarHBondContact CA-O 3.37Å
53A89.6Confident75.7Confident52 Ų5272.9 Ų72.943%0.4340%0.395SS..EExtended strand (participates in β ladder)trans-113.6118.617600000108.9C338 T339A53-C338 CarbonylContact O-C 3.56Å; A53-C338 WeakPolarHBondContact O-CA 3.38Å; A53-T339 PolarHBondContact N-O 3.47Å; A53-T339 VanDerWaalsContact N-O 3.16Å; A53-T339 PolarHBondContact O-N 3.42Å; A53-T339 PolarHBondContact O-OG1 3.04Å
54C89.6Confident73.2Confident2 Ų279.1 Ų79.11%0.01443%0.429CS..EExtended strand (participates in β ladder)trans-115.7136.2-177.8-61.20000110.5I134 N135 C138 F336 Y337 C338C54-I134 HydrophobicContact CB-CG2 3.93Å; C54-N135 WeakPolarHBondContact CB-OD1 3.26Å; C54-N135 PolarHBondContact N-OD1 3.08Å; C54-C138 WeakPolarHBondContact SG-CB 3.31Å; C54-F336 HydrophobicContact CB-CB 4.46Å; C54-Y337 WeakPolarHBondContact CA-O 3.45Å; C54-C338 HydrophobicContact CB-CB 4.12Å; C54-C338 WeakPolarHBondContact CB-SG 3.42Å; C54-C338 WeakPolarHBondContact SG-CB 3.46Å; C54-C338 CovalentContact SG-SG 2.04Å; C54-C338 PolarHBondContact SG-SG 3.05Å
55L89Confident70.6Confident110 Ų11083.2 Ų83.258%0.57645%0.449SS*.EExtended strand (participates in β ladder)trans-122.8141.7174.8-64.4174.2000109.5Y131 F336 Y337L55-Y131 HydrophobicContact CD2-CD1 4.46Å; L55-Y131 HydrophobicContact CD2-CE1 3.83Å; L55-F336 CarbonylContact O-C 3.1Å; L55-F336 WeakPolarHBondContact O-CA 3.41Å; L55-Y337 PolarHBondContact N-O 3.05Å; L55-Y337 PolarHBondContact O-N 3.06Å
56P87.5Confident67.7Low12 Ų1290.6 Ų90.68%0.07848%0.476CS..EExtended strand (participates in β ladder)trans-66.7140.917628-34.6000110.9P58 T124 L126 Y333 F336P56-P58 WeakPolarHBondContact O-CD 3.41Å; P56-T124 HydrophobicContact CG-CG2 3.81Å; P56-L126 HydrophobicContact CG-CD1 3.9Å; P56-Y333 HydrophobicContact CB-CD1 3.56Å; P56-Y333 HydrophobicContact CB-CD2 3.66Å; P56-Y333 HydrophobicContact CB-CE1 3.94Å; P56-Y333 HydrophobicContact CB-CE2 4.03Å; P56-Y333 HydrophobicContact CB-CG 3.41Å; P56-Y333 VanDerWaalsContact CB-CG 3.41Å; P56-Y333 HydrophobicContact CG-CD2 4.18Å; P56-Y333 HydrophobicContact CG-CE1 4.47Å; P56-Y333 HydrophobicContact CG-CE2 4.13Å; P56-Y333 HydrophobicContact CG-CG 4.38Å; P56-F336 HydrophobicContact CB-CD1 3.94Å; P56-F336 HydrophobicContact CB-CE1 3.84Å
57C81.8Confident64.8Low46 Ų4696.3 Ų96.331%0.31152%0.515SS..  trans-89.5113.5168.2-70.30000108.5K335C57-K335 HydrophobicContact CB-CB 4.3Å; C57-K335 PolarHBondContact N-O 3.09Å
58P70.4Confident62Low59 Ų5996.9 Ų96.938%0.38352%0.523SS..  trans-63.9137.2172.125.6-30.9000109.8P56 E60P56-P58 WeakPolarHBondContact O-CD 3.41Å; P58-E60 PolarHBondContact O-N 3.45Å
59E60.1Low59.3Low167 Ų167101.1 Ų101.178%0.7854%0.537SS*.SBendtrans-65.9-2.6-176.4-76.4-173150.100114.6T61E59-T61 PolarHBondContact O-N 3.07Å
60E48.4Very low56.5Low184 Ų184104.6 Ų104.686%0.8655%0.552SS**THydrogen-bonded Turntrans-92.767.1171.4-69.3-173.1167.100111.7P58P58-E60 PolarHBondContact O-N 3.45Å
61T41.8Very low53.8Low83 Ų83106.7 Ų106.751%0.50958%0.58SS.*THydrogen-bonded Turntrans-161.926.5159.43.70000114.6E59 A63E59-T61 PolarHBondContact O-N 3.07Å; T61-A63 VanDerWaalsContact C-N 3.25Å; T61-A63 PolarHBondContact O-N 3.28Å
62E35.3Very low51.1Low166 Ų166106 Ų10678%0.77659%0.589SS**THydrogen-bonded Turntrans-83.34.2166.8-81.7-171.2-177.500113.5K335E62-K335 IonicContact OE1-NZ 2.82Å; E62-K335 PolarHBondContact OE1-NZ 2.92Å
63A33.9Very low48.2Very low89 Ų89111 Ų11174%0.73663%0.625SS**THydrogen-bonded Turntrans-99.3-6.617700000115.9T61T61-A63 VanDerWaalsContact C-N 3.25Å; T61-A63 PolarHBondContact O-N 3.28Å
64N37.1Very low45.5Very low150 Ų150114.1 Ų114.180%0.80264%0.641SS**SBendtrans-152.830.4-177.1-92.6-32.4000116
65L33.9Very low42.4Very low126 Ų126125 Ų12566%0.6668%0.682SS**SBendtrans-141.1120159.3-89.3113.6000110.4
66Y27Very low39.6Very low182 Ų182125.6 Ų125.671%0.71469%0.692SS**  trans91.5106.6-178.8-59.5-74.8000117.2T68Y66-T68 PolarHBondContact O-N 3.37Å
67P26.3Very low36.7Very low131 Ų131131.4 Ų131.485%0.85173%0.727SS**  trans-72.4104.914630.1-24.9000107.3
68T28.6Very low34.1Very low119 Ų119132.8 Ų132.873%0.7375%0.75SS**  trans-142.1103.2152.322.10000110.8Y66Y66-T68 PolarHBondContact O-N 3.37Å
69Q27.7Very low32.1Very low170 Ų170134.5 Ų134.579%0.79477%0.769SS**  trans-137.2143.2148.2-76.7-165.36.400106.4
70K26.3Very low31.4Very low184 Ų184131.7 Ų131.780%0.877%0.765SS**  cis-170.9162.9-9-113171.5-178.6176.10104.4
71G26Very low30.5Very low69 Ų69129.8 Ų129.871%0.71177%0.766SS**  trans-77176.1-169.900000118.9
72S25.9Very low30Very low113 Ų113132.8 Ų132.879%0.7978%0.777SS**  trans71.1102.615162.90000123
73S25.8Very low30.4Very low116 Ų116129.1 Ų129.181%0.81177%0.767SS**  trans63155.1134.364.90000121.1
74P32.3Very low30.2Very low118 Ų118131.7 Ų131.777%0.76677%0.774SS**  cis-130.9176.815.837.8-18.1000116.7
75R24.7Very low29.8Very low232 Ų232131.4 Ų131.488%0.87577%0.771SS**  trans-29.3148.5164.7-92.3173.7170.7175.2-3.1114.4
76P30Very low30.1Very low122 Ų122130.4 Ų130.479%0.79277%0.772SS**  -131.3149.7109.730.6-17000113.9
77T28Very low30Very low133 Ų133127.5 Ų127.582%0.81678%0.779SS**  trans-55.5143.2165.340.80000113.1
78G27.4Very low30Very low76 Ų76124.3 Ų124.378%0.78477%0.769SS**  trans155.199.6161.800000113.6
79A28.2Very low29.9Very low95 Ų95124.5 Ų124.579%0.78577%0.771SS**  trans-70.1-166.7165.900000111.3
80P44.4Very low29.8Very low108 Ų108122.8 Ų122.870%0.70177%0.772SS**  -116.8-179.1-70.333.3-17.6000109.9
81V29.6Very low29.9Very low144 Ų144118.4 Ų118.487%0.87377%0.77SS**  trans-172.8137.1133.6159.50000109.6
82I31.2Very low29.9Very low145 Ų145124.2 Ų124.274%0.74478%0.779SS**  trans-95.2-171.3-169.4-61.7160.8000108.1
83P44.8Very low29.9Very low89 Ų89123.4 Ų123.458%0.57877%0.773SS**  cis-120.2176.3-48.932.1-17.9000112
84T29.3Very low30Very low143 Ų143124.6 Ų124.688%0.87777%0.77SS**  -163.9121.9110.88.30000112.7
85I27.8Very low29.8Very low145 Ų145127.9 Ų127.974%0.74477%0.772SS**  trans-73.4179.7166.6-62156.5000106.9
86P40.5Very low29.9Very low104 Ų104120.4 Ų120.468%0.67576%0.76SS**  cis-130.6155.54.9128.4000116.1
87S24.4Very low29.9Very low122 Ų122121.9 Ų121.985%0.85376%0.76SS**  84.4139.385.288.10000116.4
88G27.5Very low29.9Very low63 Ų63121.7 Ų121.765%0.64976%0.758SS**  trans15170.9160.200000113.5
89T25.9Very low29.9Very low124 Ų124121 Ų12176%0.76175%0.752SS**  57.4121.1104.742.60000118.4
90T25.1Very low29.9Very low133 Ų133124.3 Ų124.382%0.81675%0.754SS**  trans63.7123133.755.60000121.5
91A29.1Very low29.2Very low93 Ų93126.6 Ų126.677%0.76976%0.76SS**  154.3108.2118.600000108.9
92Q26Very low29Very low191 Ų191125.5 Ų125.589%0.89375%0.754SS**  32.8107.798.7-83.3-173.7-7.100115.3
93S24.8Very low28.9Very low95 Ų95123.8 Ų123.866%0.66475%0.75SS**  150.9144.896.286.30000110.8
94N28.5Very low28.1Very low141 Ų141128.6 Ų128.675%0.75477%0.765SS**  trans55.3143141.8-68.4-19000118.7
95K28.5Very low28Very low187 Ų187130.2 Ų130.281%0.81376%0.762SS**  cis166.4159.9-4.3-137.1178.5-176.8179.50101.8
96A26.7Very low28.4Very low75 Ų75129.5 Ų129.562%0.6277%0.767SS**  trans78.3112.715700000116.9
97I30.1Very low27.8Very low153 Ų153127.9 Ų127.979%0.78577%0.769SS**  68110.694.5-58.2155.6000108.6
98T27.7Very low27.9Very low129 Ų129129 Ų12979%0.79177%0.77SS**  177.3137.171.6-160000103.9
99G27.8Very low28Very low62 Ų62131 Ų13164%0.63978%0.781SS**  65.6103.491.100000113.1
100I28.8Very low28.3Very low164 Ų164134.4 Ų134.484%0.84179%0.788SS**  156.6123.3129-77.3157000110.5
101L28.8Very low28.6Very low156 Ų156137.4 Ų137.482%0.81779%0.793SS**  trans-64.9140.3163-80114.7000111.2
102T25.7Very low28.8Very low121 Ų121143.2 Ų143.274%0.74280%0.801SS**  trans-166.5106.2137.126.90000107.7
103T28.6Very low29.2Very low109 Ų109140.8 Ų140.867%0.66980%0.8SS**  54111.49957.10000114.3
104H27.8Very low29.8Very low191 Ų191143.7 Ų143.788%0.88481%0.808SS**  trans-171.9110.2132.1-100.5-64000111.4
105Q27.3Very low30.6Very low177 Ų177142.7 Ų142.783%0.82781%0.809SS**  trans-80.4163140.6-93.6-173.4-6.700107.6
106P36.6Very low31.5Very low130 Ų130142.4 Ų142.484%0.84481%0.81SS**  cis-146.517739.337-14.5000116.8
107G27Very low33Very low69 Ų69144.5 Ų144.571%0.71182%0.818SS**  trans133.884.4154.400000117.9
108T27.5Very low34.1Very low145 Ų145145.6 Ų145.689%0.8982%0.819SS**  trans27.1122.6136.651.10000122
109A30.3Very low35.9Very low105 Ų105145.9 Ų145.987%0.86882%0.823SS**  -161128.6128.800000111
110E30.6Very low38.1Very low196 Ų196154.3 Ų154.392%0.91684%0.836SS**  trans-71.8144.1-173.9-62.4169.314400113.2
111Q32.2Very low40.2Very low197 Ų197150 Ų15092%0.92183%0.832SS**  trans-139.5129.9154.1-110.5177.4-2.700110.9
112K33.2Very low42.6Very low214 Ų214148.1 Ų148.193%0.9383%0.826SS**PPolyproline II helixtrans-50.1131-169.7-73.6166.2169.4175.20115.2
113T33.8Very low45.1Very low141 Ų141151.1 Ų151.187%0.86583%0.829SS**PPolyproline II helixtrans-89.8122164.2130000110.7
114D38.5Very low47.5Very low156 Ų156147.3 Ų147.383%0.83481%0.806SS**PPolyproline II helixtrans-76.2141.1153.4-102.4-31.8000108.8Q116D114-Q116 PolarHBondContact O-N 3.14Å
115P45.7Very low50Low119 Ų119145.8 Ų145.877%0.77380%0.804SS**  trans-79.3112.3-17729.4-30.3000111.4
116Q46.6Very low52.8Low182 Ų182138.6 Ų138.685%0.8577%0.771SS**PPolyproline II helixtrans-61.7135.1159.3-103.8-176.4-32.700109.2D114 E118D114-Q116 PolarHBondContact O-N 3.14Å; Q116-E118 PolarHBondContact O-N 3.2Å
117P58.2Low55.3Low119 Ų119137.3 Ų137.377%0.77376%0.757SS**PPolyproline II helixtrans-62.2133.7171.424.9-30.9000109.7
118E54.1Low58.2Low176 Ų176141.2 Ų141.282%0.82276%0.755SS**PPolyproline II helixtrans-52.6133.8175.9-68-178.5157.300110.5Q116 R120Q116-E118 PolarHBondContact O-N 3.2Å; E118-R120 PolarHBondContact O-N 2.94Å
119P65.4Low61.2Low134 Ų134140.5 Ų140.587%0.8774%0.741SS**  trans-63.4109179.525-32.5000110.3
120R73.9Confident63.9Low240 Ų240138.7 Ų138.791%0.90672%0.715SS**PPolyproline II helixtrans-82.9132166.2-70.1-176.8177.6-178-0.1109E118E118-R120 PolarHBondContact O-N 2.94Å
121G72.9Confident66.7Low73 Ų73131.5 Ų131.575%0.75368%0.68SS**PPolyproline II helixtrans-62.7152177.200000113.1
122V79.5Confident69.5Low116 Ų116125 Ų12570%0.70365%0.653SS**PPolyproline II helixtrans-80.8127.8178.7-178.10000110T124V122-T124 HydrophobicContact CG1-CG2 4.22Å
123K78.1Confident72.1Confident185 Ų185119.2 Ų119.280%0.80463%0.628SS**PPolyproline II helixtrans-96.4120.2171.2-68.3-175.1179.8-177.60109.4
124T77.7Confident74.8Confident28 Ų28112.5 Ų112.517%0.17259%0.587CS.*  trans-103.4-1.9-175.455.30000114P56 V122 L126 Y131P56-T124 HydrophobicContact CG-CG2 3.81Å; V122-T124 HydrophobicContact CG1-CG2 4.22Å; T124-L126 PolarHBondContact O-N 3.49Å; T124-Y131 PolarHBondContact OG1-OH 3.1Å
125N81.5Confident77.2Confident159 Ų159106.9 Ų106.985%0.8556%0.557SS**  trans5321.9-179.6-60.7-26.1000115.5
126L85.6Confident79.3Confident27 Ų27106.4 Ų106.414%0.14155%0.545CS..  trans-94.3140174.3-71.9170.8000111P56 T124 Q130 Y131 I134 T331 Y333P56-L126 HydrophobicContact CG-CD1 3.9Å; T124-L126 PolarHBondContact O-N 3.49Å; L126-Q130 HydrophobicContact CD2-CB 4.29Å; L126-Y131 HydrophobicContact CB-CD2 4.08Å; L126-Y131 HydrophobicContact CB-CE2 3.51Å; L126-Y131 HydrophobicContact CD1-CE1 4.16Å; L126-Y131 HydrophobicContact CD1-CE2 4.29Å; L126-I134 HydrophobicContact CD1-CD1 4.17Å; L126-T331 WeakPolarHBondContact CD2-O 3.43Å; L126-Y333 HydrophobicContact CD1-CD2 4.12Å; L126-Y333 HydrophobicContact CD1-CE2 4.11Å; L126-Y333 HydrophobicContact CG-CE2 4.32Å
127D88.8Confident81.2Confident102 Ų102100.9 Ų100.955%0.54552%0.52SS..  trans-77.7154.6170.9-176.134.1000111.4Q129 Q130 Y131D127-Q129 PolarHBondContact O-N 3.24Å; D127-Q130 WeakPolarHBondContact O-CB 3.34Å; D127-Q130 PolarHBondContact O-N 3.36Å; D127-Y131 WeakPolarHBondContact O-CD2 3.35Å; D127-Y131 PolarHBondContact O-N 2.93Å
128F88.5Confident82.6Confident152 Ų15295.2 Ų95.267%0.66748%0.483SS*.Hα-helixtrans-56.8-38.1179.7-178.8-102.4000112.3Q130 Y131 V132F128-Q130 VanDerWaalsContact C-N 3.27Å; F128-Q130 PolarHBondContact O-N 3.01Å; F128-Y131 WeakPolarHBondContact O-CB 3.4Å; F128-Y131 PolarHBondContact O-N 3.07Å; F128-Y131 VanDerWaalsContact O-N 3.16Å; F128-V132 HydrophobicContact CD1-CG2 4.22Å; F128-V132 HydrophobicContact CE1-CG2 3.77Å; F128-V132 HydrophobicContact CZ-CG2 4Å; F128-V132 PolarHBondContact O-N 3.23Å; F128-V132 VanDerWaalsContact O-N 3.09Å
129Q89.4Confident84.2Confident130 Ų13088.9 Ų88.961%0.60745%0.452SS*.Hα-helixtrans-64.3-33.2178.2-17064.5900112.3D127 V132 F133D127-Q129 PolarHBondContact O-N 3.24Å; Q129-V132 PolarHBondContact O-N 3.21Å; Q129-F133 PolarHBondContact O-N 2.97Å
130Q88.5Confident85.2Confident67 Ų6787.6 Ų87.631%0.31343%0.434SS..Hα-helixtrans-69.2-37.6175.4-64.8175.5-54.800111.1L126 D127 F128 F133 I134 L330L126-Q130 HydrophobicContact CD2-CB 4.29Å; D127-Q130 WeakPolarHBondContact O-CB 3.34Å; D127-Q130 PolarHBondContact O-N 3.36Å; F128-Q130 VanDerWaalsContact C-N 3.27Å; F128-Q130 PolarHBondContact O-N 3.01Å; Q130-F133 PolarHBondContact O-N 2.85Å; Q130-I134 WeakPolarHBondContact O-CD1 3.25Å; Q130-I134 WeakPolarHBondContact O-CG1 3.05Å; Q130-I134 PolarHBondContact O-N 3.44Å; Q130-L330 PolarHBondContact NE2-O 2.86Å
131Y89.3Confident85.7Confident44 Ų4480.8 Ų80.817%0.17342%0.416CS..Hα-helixtrans-62.3-41.3172.3-78.7-76.9000112.8L55 T124 L126 D127 F128 F133 I134 N135L55-Y131 HydrophobicContact CD2-CD1 4.46Å; L55-Y131 HydrophobicContact CD2-CE1 3.83Å; T124-Y131 PolarHBondContact OG1-OH 3.1Å; L126-Y131 HydrophobicContact CB-CD2 4.08Å; L126-Y131 HydrophobicContact CB-CE2 3.51Å; L126-Y131 HydrophobicContact CD1-CE1 4.16Å; L126-Y131 HydrophobicContact CD1-CE2 4.29Å; D127-Y131 WeakPolarHBondContact O-CD2 3.35Å; D127-Y131 PolarHBondContact O-N 2.93Å; F128-Y131 WeakPolarHBondContact O-CB 3.4Å; F128-Y131 PolarHBondContact O-N 3.07Å; F128-Y131 VanDerWaalsContact O-N 3.16Å; Y131-F133 VanDerWaalsContact C-N 3.32Å; Y131-F133 PolarHBondContact O-N 3.36Å; Y131-I134 PolarHBondContact O-N 3.35Å; Y131-N135 WeakPolarHBondContact O-CB 3.17Å; Y131-N135 PolarHBondContact O-N 3.02Å; Y131-N135 PolarHBondContact O-ND2 3.27Å; Y131-N135 PolarHBondContact O-OD1 2.72Å
132V89.3Confident86.2Confident61 Ų6178.5 Ų78.537%0.3739%0.389SS..Hα-helixtrans-62.5-42.1175.4176.60000110.8F128 Q129 N135 Q136F128-V132 HydrophobicContact CD1-CG2 4.22Å; F128-V132 HydrophobicContact CE1-CG2 3.77Å; F128-V132 HydrophobicContact CZ-CG2 4Å; F128-V132 PolarHBondContact O-N 3.23Å; F128-V132 VanDerWaalsContact O-N 3.09Å; Q129-V132 PolarHBondContact O-N 3.21Å; V132-N135 PolarHBondContact O-N 3.44Å; V132-Q136 PolarHBondContact O-N 3.29Å
133F89.6Confident86.4Confident92 Ų9273.3 Ų73.340%0.40436%0.357SS..Hα-helixtrans-62.2-47.2175.3176.8-100000112.4Q129 Q130 Y131 N135 Q136 M137 I327 L330Q129-F133 PolarHBondContact O-N 2.97Å; Q130-F133 PolarHBondContact O-N 2.85Å; Y131-F133 VanDerWaalsContact C-N 3.32Å; Y131-F133 PolarHBondContact O-N 3.36Å; F133-N135 PolarHBondContact O-N 3.41Å; F133-Q136 PolarHBondContact O-N 3.31Å; F133-M137 PolarHBondContact O-N 2.83Å; F133-I327 HydrophobicContact CE1-CD1 4.29Å; F133-I327 HydrophobicContact CE1-CG2 4.24Å; F133-L330 HydrophobicContact CE1-CD2 4.44Å
134I89.1Confident86.7Confident0 Ų066.8 Ų66.80%033%0.334CS..Hα-helixtrans-60.2-45.6176.9-66.8157.1000110.6C54 L126 Q130 Y131 Q136 M137 C138 I327 T331 F336C54-I134 HydrophobicContact CB-CG2 3.93Å; L126-I134 HydrophobicContact CD1-CD1 4.17Å; Q130-I134 WeakPolarHBondContact O-CD1 3.25Å; Q130-I134 WeakPolarHBondContact O-CG1 3.05Å; Q130-I134 PolarHBondContact O-N 3.44Å; Y131-I134 PolarHBondContact O-N 3.35Å; I134-Q136 VanDerWaalsContact C-N 3.29Å; I134-Q136 PolarHBondContact O-N 3.45Å; I134-M137 PolarHBondContact O-N 3.3Å; I134-C138 WeakPolarHBondContact O-CB 3.32Å; I134-C138 PolarHBondContact O-N 2.88Å; I134-I327 HydrophobicContact CG1-CD1 4.07Å; I134-T331 HydrophobicContact CD1-CG2 3.78Å; I134-T331 HydrophobicContact CG1-CG2 3.8Å; I134-F336 HydrophobicContact CD1-CD1 4.38Å; I134-F336 HydrophobicContact CD1-CE1 3.61Å; I134-F336 HydrophobicContact CD1-CZ 4.05Å; I134-F336 HydrophobicContact CG1-CE1 4.07Å; I134-F336 HydrophobicContact CG1-CZ 4.17Å; I134-F336 HydrophobicContact CG2-CB 4.49Å; I134-F336 HydrophobicContact CG2-CD1 3.59Å; I134-F336 HydrophobicContact CG2-CD2 4.3Å; I134-F336 HydrophobicContact CG2-CE1 3.79Å; I134-F336 HydrophobicContact CG2-CE2 4.48Å; I134-F336 HydrophobicContact CG2-CG 3.86Å; I134-F336 HydrophobicContact CG2-CZ 4.23Å
135N90Very high87Confident39 Ų3972.4 Ų72.421%0.20935%0.352CS..Hα-helixtrans-57.5-43.2177.3-70.9-15.6000111.3V52 C54 Y131 V132 F133 Y139V52-N135 WeakPolarHBondContact O-CB 3.19Å; V52-N135 PolarHBondContact O-ND2 3Å; C54-N135 WeakPolarHBondContact CB-OD1 3.26Å; C54-N135 PolarHBondContact N-OD1 3.08Å; Y131-N135 WeakPolarHBondContact O-CB 3.17Å; Y131-N135 PolarHBondContact O-N 3.02Å; Y131-N135 PolarHBondContact O-ND2 3.27Å; Y131-N135 PolarHBondContact O-OD1 2.72Å; V132-N135 PolarHBondContact O-N 3.44Å; F133-N135 PolarHBondContact O-N 3.41Å; N135-Y139 WeakPolarHBondContact O-CB 3.44Å; N135-Y139 PolarHBondContact O-N 3.06Å
136Q88.3Confident86.9Confident108 Ų10865.2 Ų65.251%0.50532%0.315SS..Hα-helixtrans-69.1-42.1178.5-168.166.220.800112.1V132 F133 I134 Y139 H140V132-Q136 PolarHBondContact O-N 3.29Å; F133-Q136 PolarHBondContact O-N 3.31Å; I134-Q136 VanDerWaalsContact C-N 3.29Å; I134-Q136 PolarHBondContact O-N 3.45Å; Q136-Y139 WeakPolarHBondContact O-CB 2.98Å; Q136-Y139 PolarHBondContact O-N 3.11Å; Q136-H140 PolarHBondContact NE2-NE2 3.48Å; Q136-H140 PolarHBondContact O-CD2 3.48Å; Q136-H140 PolarHBondContact O-N 3.46Å
137M87Confident86.8Confident67 Ų6764 Ų6433%0.3331%0.309SS..Hα-helixtrans-64-51.2178.5-165.871.6-178.400111F133 I134 Y139 H140 D141 P325 I327F133-M137 PolarHBondContact O-N 2.83Å; I134-M137 PolarHBondContact O-N 3.3Å; M137-Y139 PolarHBondContact O-N 2.84Å; M137-H140 PolarHBondContact O-N 3.17Å; M137-D141 WeakPolarHBondContact CE-OD2 3.34Å; M137-D141 PolarHBondContact O-N 3.26Å; M137-P325 HydrophobicContact CG-CB 4.03Å; M137-I327 HydrophobicContact CG-CG2 4.44Å
138C87.4Confident86.6Confident0 Ų060 Ų600%029%0.286CS..Hα-helixtrans-67-26176.7-72.10000113C54 I134 H140 A142 C323 C338C54-C138 WeakPolarHBondContact SG-CB 3.31Å; I134-C138 WeakPolarHBondContact O-CB 3.32Å; I134-C138 PolarHBondContact O-N 2.88Å; C138-H140 VanDerWaalsContact C-N 3.32Å; C138-A142 WeakPolarHBondContact O-CB 3.28Å; C138-A142 PolarHBondContact O-N 3.18Å; C138-C323 WeakPolarHBondContact CA-SG 3.47Å; C138-C323 HydrophobicContact CB-CB 3.75Å; C138-C323 WeakPolarHBondContact CB-SG 3.49Å; C138-C323 WeakPolarHBondContact SG-CB 3.43Å; C138-C323 CovalentContact SG-SG 2.04Å; C138-C323 PolarHBondContact SG-SG 2.82Å; C138-C338 VanDerWaalsContact CB-SG 3.51Å
139Y88.3Confident86.6Confident43 Ų4359.1 Ų59.117%0.16928%0.28CS..Hα-helixtrans-58.1-48.3167.9-176.9-88.7000110.1D50 V52 N135 Q136 M137 L143 K148D50-Y139 VanDerWaalsContact OD2-CE2 3.29Å; D50-Y139 WeakPolarHBondContact OD2-CE2 3.46Å; D50-Y139 PolarHBondContact OD2-OH 3.41Å; V52-Y139 HydrophobicContact CB-CD2 4.28Å; V52-Y139 HydrophobicContact CG2-CD2 3.62Å; V52-Y139 HydrophobicContact CG2-CE2 4.28Å; N135-Y139 WeakPolarHBondContact O-CB 3.44Å; N135-Y139 PolarHBondContact O-N 3.06Å; Q136-Y139 WeakPolarHBondContact O-CB 2.98Å; Q136-Y139 PolarHBondContact O-N 3.11Å; M137-Y139 PolarHBondContact O-N 2.84Å; Y139-L143 HydrophobicContact CE2-CD2 4.47Å; Y139-K148 HydrophobicContact CE1-CD 4.22Å; Y139-K148 HydrophobicContact CE1-CG 4.28Å; Y139-K148 WeakPolarHBondContact O-CE 3.35Å; Y139-K148 PolarHBondContact O-NZ 3.21Å
140H86.6Confident86.5Confident107 Ų10753.2 Ų53.250%0.49525%0.252SS..Hα-helixtrans-71.3-42.3-179.5-75.4-72.1000113.7Q136 M137 C138 K148Q136-H140 PolarHBondContact NE2-NE2 3.48Å; Q136-H140 PolarHBondContact O-CD2 3.48Å; Q136-H140 PolarHBondContact O-N 3.46Å; M137-H140 PolarHBondContact O-N 3.17Å; C138-H140 VanDerWaalsContact C-N 3.32Å; H140-K148 PolarHBondContact O-NZ 2.89Å
141D85.1Confident86.5Confident97 Ų9750 Ų5052%0.51924%0.237SC..Hα-helixtrans-89.2-41.5-170.6-65.6-19.6000114.2M137M137-D141 WeakPolarHBondContact CE-OD2 3.34Å; M137-D141 PolarHBondContact O-N 3.26Å
142A83.1Confident86.5Confident24 Ų2452 Ų5220%0.19825%0.245CC..Hα-helixtrans-93.1-26.6-168.800000114.2C138 H321 C323C138-A142 WeakPolarHBondContact O-CB 3.28Å; C138-A142 PolarHBondContact O-N 3.18Å; A142-H321 HydrophobicContact CB-CB 4.5Å; A142-C323 HydrophobicContact CB-CB 3.62Å
143L83.4Confident86.5Confident7 Ų751.1 Ų51.14%0.03724%0.238CC..SBendtrans-80.4131.1-179.3-88.787.6000112.3V52 Y139 K148 H340V52-L143 HydrophobicContact CB-CD1 4.41Å; V52-L143 HydrophobicContact CG1-CD1 4.08Å; V52-L143 HydrophobicContact CG2-CD1 3.58Å; V52-L143 HydrophobicContact CG2-CD2 3.89Å; V52-L143 HydrophobicContact CG2-CG 4.39Å; Y139-L143 HydrophobicContact CE2-CD2 4.47Å; L143-K148 PolarHBondContact O-NZ 3.49Å; L143-H340 HydrophobicContact CD2-CB 4.3Å
144P83.8Confident86.5Confident49 Ų4946.8 Ų46.832%0.31822%0.219SC..  trans-55.1142.8172.7-24.633000112.5S146 S147P144-S146 PolarHBondContact O-N 3.36Å; P144-S146 VanDerWaalsContact O-N 3.13Å; P144-S147 PolarHBondContact O-N 2.78Å
145W84.3Confident86.5Confident145 Ų14547.7 Ų47.755%0.54922%0.224SC..Hα-helixtrans-56.5-30.6176.868.6-92.8000112.6S147 K148 Y149 L153 L314W145-S147 VanDerWaalsContact C-N 3.34Å; W145-S147 PolarHBondContact O-N 2.94Å; W145-K148 PolarHBondContact O-N 3.03Å; W145-Y149 HydrophobicContact CB-CD2 4.23Å; W145-Y149 WeakPolarHBondContact O-CD2 3.49Å; W145-Y149 PolarHBondContact O-N 2.79Å; W145-L153 HydrophobicContact CZ3-CD2 4.33Å; W145-L314 HydrophobicContact CH2-CD1 3.77Å; W145-L314 HydrophobicContact CH2-CD2 4.15Å; W145-L314 HydrophobicContact CZ2-CD1 4.29Å; W145-L314 HydrophobicContact CZ2-CD2 3.78Å; W145-L314 HydrophobicContact CZ3-CD1 4.29Å
146S80.3Confident86.6Confident9 Ų950.2 Ų50.26%0.06324%0.236CC..Hα-helixtrans-64.6-35.8177.755.80000112.8P144 K148 F150P144-S146 PolarHBondContact O-N 3.36Å; P144-S146 VanDerWaalsContact O-N 3.13Å; S146-K148 VanDerWaalsContact C-N 3.31Å; S146-K148 PolarHBondContact O-N 2.88Å; S146-F150 WeakPolarHBondContact O-CB 3.4Å; S146-F150 PolarHBondContact O-N 3.08Å
147S82.9Confident86.7Confident2 Ų246.2 Ų46.21%0.01422%0.217CC..Hα-helixtrans-68.9-33.1176.8-159.20000111.5Q46 P144 W145 H340Q46-S147 PolarHBondContact NE2-O 3.26Å; P144-S147 PolarHBondContact O-N 2.78Å; W145-S147 VanDerWaalsContact C-N 3.34Å; W145-S147 PolarHBondContact O-N 2.94Å; S147-H340 PolarHBondContact OG-CE1 3.02Å; S147-H340 PolarHBondContact OG-ND1 2.87Å
148K85.1Confident86.8Confident17 Ų1743 Ų437%0.07420%0.201CC..Hα-helixtrans-83.4-35.8-178.7-64.7173.6-179.8146.50114.4Q46 Y139 H140 L143 W145 S146Q46-K148 VanDerWaalsContact NE2-C 3.31Å; Q46-K148 PolarHBondContact NE2-O 3.24Å; Q46-K148 PolarHBondContact OE1-O 3Å; Y139-K148 HydrophobicContact CE1-CD 4.22Å; Y139-K148 HydrophobicContact CE1-CG 4.28Å; Y139-K148 WeakPolarHBondContact O-CE 3.35Å; Y139-K148 PolarHBondContact O-NZ 3.21Å; H140-K148 PolarHBondContact O-NZ 2.89Å; L143-K148 PolarHBondContact O-NZ 3.49Å; W145-K148 PolarHBondContact O-N 3.03Å; S146-K148 VanDerWaalsContact C-N 3.31Å; S146-K148 PolarHBondContact O-N 2.88Å
149Y88.2Confident86.9Confident134 Ų13445.3 Ų45.353%0.52521%0.214SC..Hα-helixtrans-115-1.7-168.6-61.8-68.8000114.2W145 Y152 L153W145-Y149 HydrophobicContact CB-CD2 4.23Å; W145-Y149 WeakPolarHBondContact O-CD2 3.49Å; W145-Y149 PolarHBondContact O-N 2.79Å; Y149-Y152 PolarHBondContact O-N 3.3Å; Y149-L153 WeakPolarHBondContact O-CB 3.3Å; Y149-L153 PolarHBondContact O-N 3.29Å
150F87.3Confident86.9Confident5 Ų546.3 Ų46.32%0.02222%0.221CC..Hα-helixtrans-53.6-52.1-177.2163.6-102.9000113.9S146 Y152 L153 T154 L346 L350 Y353S146-F150 WeakPolarHBondContact O-CB 3.4Å; S146-F150 PolarHBondContact O-N 3.08Å; F150-Y152 VanDerWaalsContact C-N 3.3Å; F150-Y152 PolarHBondContact O-N 3.03Å; F150-L153 PolarHBondContact O-N 2.88Å; F150-L153 VanDerWaalsContact O-N 3.17Å; F150-T154 HydrophobicContact CD2-CG2 3.74Å; F150-T154 HydrophobicContact CE1-CG2 4.25Å; F150-T154 HydrophobicContact CE2-CG2 3.2Å; F150-T154 HydrophobicContact CG-CG2 4.43Å; F150-T154 HydrophobicContact CZ-CG2 3.51Å; F150-T154 WeakPolarHBondContact O-CG2 3.43Å; F150-T154 PolarHBondContact O-N 2.78Å; F150-T154 PolarHBondContact O-OG1 3.16Å; F150-L346 HydrophobicContact CD1-CD2 4.36Å; F150-L350 HydrophobicContact CD2-CD1 3.85Å; F150-L350 HydrophobicContact CE1-CB 4.29Å; F150-L350 HydrophobicContact CE2-CB 4.24Å; F150-L350 HydrophobicContact CE2-CD1 3.25Å; F150-L350 HydrophobicContact CE2-CG 4.32Å; F150-L350 HydrophobicContact CZ-CB 3.92Å; F150-L350 HydrophobicContact CZ-CD1 3.79Å; F150-L350 HydrophobicContact CZ-CG 4.48Å; F150-Y353 HydrophobicContact CE2-CD1 4.2Å; F150-Y353 HydrophobicContact CZ-CD1 4.42Å; F150-Y353 HydrophobicContact CZ-CG 4.39Å
151P88.1Confident87Confident0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-64.2-31-179.1-26.639.5000114.5A42 M43 Q46 T154 L155 L346A42-P151 HydrophobicContact CB-CB 3.82Å; A42-P151 HydrophobicContact CB-CG 3.84Å; M43-P151 HydrophobicContact CB-CB 4.03Å; Q46-P151 HydrophobicContact CB-CG 4.46Å; P151-T154 WeakPolarHBondContact CA-OG1 3.41Å; P151-T154 PolarHBondContact O-OG1 2.81Å; P151-L155 WeakPolarHBondContact O-CB 3.05Å; P151-L155 PolarHBondContact O-N 3.35Å; P151-L155 VanDerWaalsContact O-N 3.13Å; P151-L346 HydrophobicContact CG-CD2 4.14Å
152Y89.5Confident87.1Confident86 Ų8637.2 Ų37.234%0.33718%0.176SC..Hα-helixtrans-70.7-41.8174.7-60.5-85.6000111M43 I47 Y149 F150 L155 I156M43-Y152 HydrophobicContact CE-CD1 3.4Å; M43-Y152 HydrophobicContact CE-CE1 3.78Å; M43-Y152 HydrophobicContact CE-CG 3.99Å; M43-Y152 HydrophobicContact CG-CE1 4.1Å; M43-Y152 HydrophobicContact SD-CD1 4.21Å; M43-Y152 HydrophobicContact SD-CE1 3.97Å; I47-Y152 WeakPolarHBondContact CG1-OH 3.26Å; Y149-Y152 PolarHBondContact O-N 3.3Å; F150-Y152 VanDerWaalsContact C-N 3.3Å; F150-Y152 PolarHBondContact O-N 3.03Å; Y152-L155 PolarHBondContact O-N 3.46Å; Y152-I156 WeakPolarHBondContact O-CG1 3.31Å; Y152-I156 PolarHBondContact O-N 3Å
153L89.6Confident87.2Confident43 Ų4339.7 Ų39.723%0.22519%0.188CC..Hα-helixtrans-66.2-42.9178-170.863.6000111.4W145 Y149 F150 L155 I156 H157 Y310W145-L153 HydrophobicContact CZ3-CD2 4.33Å; Y149-L153 WeakPolarHBondContact O-CB 3.3Å; Y149-L153 PolarHBondContact O-N 3.29Å; F150-L153 PolarHBondContact O-N 2.88Å; F150-L153 VanDerWaalsContact O-N 3.17Å; L153-L155 VanDerWaalsContact C-N 3.33Å; L153-L155 PolarHBondContact O-N 3.27Å; L153-I156 PolarHBondContact O-N 3.12Å; L153-H157 VanDerWaalsContact CD1-NE2 3.32Å; L153-H157 WeakPolarHBondContact CD1-NE2 3.13Å; L153-H157 WeakPolarHBondContact CG-NE2 3.38Å; L153-H157 PolarHBondContact O-CD2 3.44Å; L153-H157 PolarHBondContact O-N 2.93Å; L153-Y310 HydrophobicContact CD2-CD2 4.42Å; L153-Y310 HydrophobicContact CD2-CE2 3.53Å
154T89.2Confident87.4Confident0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-64-37.3175.556.70000112.3F150 P151 T158 Y353F150-T154 HydrophobicContact CD2-CG2 3.74Å; F150-T154 HydrophobicContact CE1-CG2 4.25Å; F150-T154 HydrophobicContact CE2-CG2 3.2Å; F150-T154 HydrophobicContact CG-CG2 4.43Å; F150-T154 HydrophobicContact CZ-CG2 3.51Å; F150-T154 WeakPolarHBondContact O-CG2 3.43Å; F150-T154 PolarHBondContact O-N 2.78Å; F150-T154 PolarHBondContact O-OG1 3.16Å; P151-T154 WeakPolarHBondContact CA-OG1 3.41Å; P151-T154 PolarHBondContact O-OG1 2.81Å; T154-T158 WeakPolarHBondContact O-CB 3.49Å; T154-T158 PolarHBondContact O-N 3Å; T154-T158 PolarHBondContact O-OG1 3.38Å; T154-Y353 HydrophobicContact CG2-CD1 3.78Å; T154-Y353 HydrophobicContact CG2-CD2 4.02Å; T154-Y353 HydrophobicContact CG2-CE1 3.59Å; T154-Y353 HydrophobicContact CG2-CE2 3.83Å; T154-Y353 HydrophobicContact CG2-CG 3.98Å
155L89.8Confident87.4Confident20 Ų2038.4 Ų38.411%0.10518%0.181CC..Hα-helixtrans-61.4-51.7173.7-17966.5000110.9L36 A39 I40 M43 P151 Y152 L153 H157 T158 L159L36-L155 HydrophobicContact CD1-CD1 3.45Å; L36-L155 VanDerWaalsContact CD1-CD1 3.45Å; A39-L155 HydrophobicContact CB-CB 4.12Å; A39-L155 HydrophobicContact CB-CD1 4.37Å; I40-L155 HydrophobicContact CG1-CD1 4.29Å; M43-L155 HydrophobicContact CE-CB 4.04Å; M43-L155 HydrophobicContact CE-CD2 3.42Å; M43-L155 VanDerWaalsContact CE-CD2 3.42Å; M43-L155 HydrophobicContact CE-CG 4.34Å; M43-L155 HydrophobicContact SD-CD2 4.27Å; P151-L155 WeakPolarHBondContact O-CB 3.05Å; P151-L155 PolarHBondContact O-N 3.35Å; P151-L155 VanDerWaalsContact O-N 3.13Å; Y152-L155 PolarHBondContact O-N 3.46Å; L153-L155 VanDerWaalsContact C-N 3.33Å; L153-L155 PolarHBondContact O-N 3.27Å; L155-H157 VanDerWaalsContact C-N 3.33Å; L155-H157 PolarHBondContact O-N 3.1Å; L155-T158 PolarHBondContact O-N 3.37Å; L155-L159 HydrophobicContact CD1-CD1 4.47Å; L155-L159 HydrophobicContact CD1-CG 4.45Å; L155-L159 HydrophobicContact CG-CD1 4.17Å; L155-L159 WeakPolarHBondContact O-CG 3.26Å; L155-L159 PolarHBondContact O-N 2.92Å
156I90.6Very high87.3Confident91 Ų9131.6 Ų31.647%0.46716%0.155SC..Hα-helixtrans-58.5-45.5179.7-68.9167.5000110.8Y152 L153 T158 L159 I160Y152-I156 WeakPolarHBondContact O-CG1 3.31Å; Y152-I156 PolarHBondContact O-N 3Å; L153-I156 PolarHBondContact O-N 3.12Å; I156-T158 PolarHBondContact O-N 3.34Å; I156-L159 PolarHBondContact O-N 3.41Å; I156-I160 HydrophobicContact CG2-CD1 3.77Å; I156-I160 HydrophobicContact CG2-CG1 4.47Å; I156-I160 VanDerWaalsContact O-CG1 3.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.31Å; I156-I160 PolarHBondContact O-N 3.19Å
157H90.8Very high87.6Confident24 Ų2435.5 Ų35.511%0.11117%0.172CC..Hα-helixtrans-62.6-42.3177.3-73-47.4000112.7L153 L155 I160 L161 I307 Y310L153-H157 VanDerWaalsContact CD1-NE2 3.32Å; L153-H157 WeakPolarHBondContact CD1-NE2 3.13Å; L153-H157 WeakPolarHBondContact CG-NE2 3.38Å; L153-H157 PolarHBondContact O-CD2 3.44Å; L153-H157 PolarHBondContact O-N 2.93Å; L155-H157 VanDerWaalsContact C-N 3.33Å; L155-H157 PolarHBondContact O-N 3.1Å; H157-I160 PolarHBondContact O-N 3.43Å; H157-L161 WeakPolarHBondContact O-CG 3.5Å; H157-L161 PolarHBondContact O-N 3.49Å; H157-I307 HydrophobicContact CB-CD1 3.8Å; H157-I307 HydrophobicContact CB-CG1 4.44Å; H157-Y310 AromaticContact CD2-CZ 3.93Å; H157-Y310 PolarHBondContact CD2-OH 2.8Å; H157-Y310 AromaticContact NE2-CE1 3.55Å; H157-Y310 AromaticContact NE2-CZ 3.58Å; H157-Y310 PolarHBondContact NE2-OH 2.97Å; H157-Y310 VanDerWaalsContact NE2-OH 3.08Å
158T89.8Confident87.9Confident0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-64.5-41.9178.4-54.70000111.2G32 M35 L36 T154 L155 I156 L161 M162G32-T158 VanDerWaalsContact O-CG2 3.31Å; G32-T158 WeakPolarHBondContact O-CG2 3.19Å; M35-T158 HydrophobicContact CB-CG2 3.86Å; L36-T158 HydrophobicContact CB-CG2 3.85Å; T154-T158 WeakPolarHBondContact O-CB 3.49Å; T154-T158 PolarHBondContact O-N 3Å; T154-T158 PolarHBondContact O-OG1 3.38Å; L155-T158 PolarHBondContact O-N 3.37Å; I156-T158 PolarHBondContact O-N 3.34Å; T158-L161 PolarHBondContact O-N 3.24Å; T158-M162 HydrophobicContact CG2-CG 4.43Å; T158-M162 HydrophobicContact CG2-SD 4.03Å; T158-M162 WeakPolarHBondContact O-CB 3.14Å; T158-M162 VanDerWaalsContact O-CG 3.29Å; T158-M162 WeakPolarHBondContact O-CG 3.34Å; T158-M162 PolarHBondContact O-N 3.21Å
159L88.6Confident87.9Confident49 Ų4935.1 Ų35.126%0.25717%0.169SC..Hα-helixtrans-61.3-45.5174.8-70.9175000112.3V7 L10 L155 I156 L161 M162 V163V7-L159 HydrophobicContact CG1-CD2 3.42Å; V7-L159 VanDerWaalsContact CG1-CD2 3.42Å; L10-L159 HydrophobicContact CD1-CD2 4.04Å; L155-L159 HydrophobicContact CD1-CD1 4.47Å; L155-L159 HydrophobicContact CD1-CG 4.45Å; L155-L159 HydrophobicContact CG-CD1 4.17Å; L155-L159 WeakPolarHBondContact O-CG 3.26Å; L155-L159 PolarHBondContact O-N 2.92Å; I156-L159 PolarHBondContact O-N 3.41Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.05Å; L159-M162 PolarHBondContact O-N 3.35Å; L159-V163 WeakPolarHBondContact O-CB 3.22Å; L159-V163 WeakPolarHBondContact O-CG2 3.08Å; L159-V163 PolarHBondContact O-N 3.47Å
160I89.3Confident87.7Confident64 Ų6434.1 Ų34.133%0.32817%0.168SC..Hα-helixtrans-60.5-45.3177.5-69.4167.1000110.5I156 H157 S164I156-I160 HydrophobicContact CG2-CD1 3.77Å; I156-I160 HydrophobicContact CG2-CG1 4.47Å; I156-I160 VanDerWaalsContact O-CG1 3.28Å; I156-I160 WeakPolarHBondContact O-CG1 3.31Å; I156-I160 PolarHBondContact O-N 3.19Å; H157-I160 PolarHBondContact O-N 3.43Å; I160-S164 WeakPolarHBondContact O-CB 3.49Å; I160-S164 PolarHBondContact O-N 2.95Å; I160-S164 PolarHBondContact O-OG 3.39Å
161L88.9Confident87.8Confident4 Ų437.3 Ų37.32%0.02118%0.18CC..Hα-helixtrans-62.4-46.8178.1-71.2173.6000111.3M35 H157 T158 L159 S164 S165 K300 K303 I307 I357 Y360M35-L161 HydrophobicContact CE-CD1 4.04Å; H157-L161 WeakPolarHBondContact O-CG 3.5Å; H157-L161 PolarHBondContact O-N 3.49Å; T158-L161 PolarHBondContact O-N 3.24Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.05Å; L161-S164 PolarHBondContact O-N 2.91Å; L161-S164 PolarHBondContact O-OG 3.07Å; L161-S165 PolarHBondContact O-N 3.47Å; L161-S165 VanDerWaalsContact O-N 3.11Å; L161-S165 PolarHBondContact O-OG 2.86Å; L161-K300 HydrophobicContact CD2-CG 4.43Å; L161-K303 HydrophobicContact CD2-CB 4.28Å; L161-I307 HydrophobicContact CD1-CD1 4.35Å; L161-I357 HydrophobicContact CD1-CD1 4.32Å; L161-Y360 HydrophobicContact CD1-CD1 4.48Å; L161-Y360 HydrophobicContact CD1-CE1 4.17Å; L161-Y360 HydrophobicContact CD2-CE1 3.91Å; L161-Y360 HydrophobicContact CG-CE1 4.5Å
162M86.7Confident87.7Confident8 Ų841.8 Ų41.84%0.03921%0.209CC..Hα-helixtrans-61.7-46.6178-72.4176.469.500112.8N11 L33 L36 T158 L159 S165 N166N11-M162 HydrophobicContact CB-CE 3.67Å; L33-M162 HydrophobicContact CD2-CE 4.1Å; L36-M162 HydrophobicContact CB-SD 4.33Å; L36-M162 HydrophobicContact CD2-CE 4.27Å; L36-M162 HydrophobicContact CD2-SD 4.09Å; T158-M162 HydrophobicContact CG2-CG 4.43Å; T158-M162 HydrophobicContact CG2-SD 4.03Å; T158-M162 WeakPolarHBondContact O-CB 3.14Å; T158-M162 VanDerWaalsContact O-CG 3.29Å; T158-M162 WeakPolarHBondContact O-CG 3.34Å; T158-M162 PolarHBondContact O-N 3.21Å; L159-M162 PolarHBondContact O-N 3.35Å; M162-S165 PolarHBondContact O-N 3.02Å; M162-N166 PolarHBondContact O-ND2 2.99Å
163V86.2Confident87.5Confident76 Ų7644.4 Ų44.446%0.46122%0.222SC..Hα-helixtrans-66-41.5178.9172.90000110.9L159 S165 N166 F167L159-V163 WeakPolarHBondContact O-CB 3.22Å; L159-V163 WeakPolarHBondContact O-CG2 3.08Å; L159-V163 PolarHBondContact O-N 3.47Å; V163-S165 PolarHBondContact O-N 2.95Å; V163-N166 PolarHBondContact O-N 2.94Å; V163-F167 PolarHBondContact O-N 2.93Å; V163-F167 VanDerWaalsContact O-N 3.17Å
164S86.4Confident87.5Confident20 Ų2042.3 Ų42.314%0.1421%0.212CC..Hα-helixtrans-64.2-24.2177.874.70000113.2I160 L161 Q296 K300I160-S164 WeakPolarHBondContact O-CB 3.49Å; I160-S164 PolarHBondContact O-N 2.95Å; I160-S164 PolarHBondContact O-OG 3.39Å; L161-S164 PolarHBondContact O-N 2.91Å; L161-S164 PolarHBondContact O-OG 3.07Å; S164-Q296 PolarHBondContact O-OE1 3.15Å; S164-K300 WeakPolarHBondContact OG-CG 3.47Å
165S83.4Confident87.5Confident9 Ų943.6 Ų43.66%0.06322%0.22CC..Hα-helixtrans-73-31.8175.6-67.40000114.2L161 M162 V163 K300L161-S165 PolarHBondContact O-N 3.47Å; L161-S165 VanDerWaalsContact O-N 3.11Å; L161-S165 PolarHBondContact O-OG 2.86Å; M162-S165 PolarHBondContact O-N 3.02Å; V163-S165 PolarHBondContact O-N 2.95Å; S165-K300 VanDerWaalsContact CA-CE 3.44Å; S165-K300 WeakPolarHBondContact OG-CE 3.38Å; S165-K300 PolarHBondContact OG-NZ 3.39Å
166N83.5Confident87.4Confident2 Ų246.4 Ų46.41%0.01124%0.242CC..Hα-helixtrans-105.81.2-173.1-63.8-40.8000113.3N11 I13 K21 M162 V163 W168 F169 K170N11-N166 PolarHBondContact OD1-ND2 2.77Å; I13-N166 WeakPolarHBondContact CD1-OD1 3.35Å; K21-N166 PolarHBondContact NZ-OD1 3.34Å; M162-N166 PolarHBondContact O-ND2 2.99Å; V163-N166 PolarHBondContact O-N 2.94Å; N166-W168 VanDerWaalsContact C-N 3.34Å; N166-W168 PolarHBondContact O-N 3.18Å; N166-F169 PolarHBondContact O-N 2.8Å; N166-K170 PolarHBondContact O-N 2.86Å
167F86.8Confident87.4Confident92 Ų9243.8 Ų43.840%0.40423%0.227SC..Hα-helixtrans-58.2-44.9-174.8-175.5-100.5000112.5V163 F169 K170 Y171 L292V163-F167 PolarHBondContact O-N 2.93Å; V163-F167 VanDerWaalsContact O-N 3.17Å; F167-F169 VanDerWaalsContact C-N 3.26Å; F167-F169 PolarHBondContact O-N 3.17Å; F167-K170 PolarHBondContact O-N 3.39Å; F167-Y171 HydrophobicContact CE1-CD2 4.04Å; F167-Y171 HydrophobicContact CE1-CG 4.21Å; F167-Y171 HydrophobicContact CE2-CD2 4.39Å; F167-Y171 AromaticContact CZ-CD2 3.64Å; F167-Y171 HydrophobicContact CZ-CD2 3.64Å; F167-Y171 HydrophobicContact CZ-CE2 4.24Å; F167-Y171 HydrophobicContact CZ-CG 4.24Å; F167-Y171 WeakPolarHBondContact O-CB 3.44Å; F167-Y171 PolarHBondContact O-N 3.02Å; F167-L292 HydrophobicContact CD1-CD1 3.9Å; F167-L292 HydrophobicContact CD1-CD2 4.1Å; F167-L292 HydrophobicContact CD1-CG 4.34Å; F167-L292 HydrophobicContact CE1-CD1 3.81Å; F167-L292 HydrophobicContact CE1-CD2 4.18Å
168W87.5Confident87.4Confident1 Ų142.7 Ų42.70%0.00422%0.222CC..Hα-helixtrans-67.5-22.8-178.378.6-68.3000114.4L20 N166 T174 I178 I289 L292 Y293 Q296 F402 L403 M406L20-W168 HydrophobicContact CB-CH2 4.36Å; N166-W168 VanDerWaalsContact C-N 3.34Å; N166-W168 PolarHBondContact O-N 3.18Å; W168-T174 WeakPolarHBondContact O-CB 3.41Å; W168-T174 PolarHBondContact O-OG1 3.23Å; W168-I178 HydrophobicContact CD2-CD1 4.38Å; W168-I178 HydrophobicContact CE3-CD1 3.48Å; W168-I178 VanDerWaalsContact CE3-CD1 3.48Å; W168-I178 HydrophobicContact CZ3-CD1 3.56Å; W168-I178 HydrophobicContact CZ3-CG1 4.28Å; W168-I289 HydrophobicContact CE3-CG2 3.8Å; W168-I289 HydrophobicContact CZ3-CG2 3.78Å; W168-L292 HydrophobicContact CB-CD2 3.76Å; W168-L292 HydrophobicContact CB-CG 4.11Å; W168-Y293 HydrophobicContact CD2-CD2 4.26Å; W168-Y293 HydrophobicContact CZ2-CD2 4.23Å; W168-Y293 HydrophobicContact CZ2-CE2 4.29Å; W168-Q296 VanDerWaalsContact CD1-OE1 3.22Å; W168-F402 HydrophobicContact CZ3-CE1 4.4Å; W168-L403 HydrophobicContact CZ3-CD2 4.33Å; W168-M406 HydrophobicContact CZ2-CE 4.48Å
169F85.6Confident87.4Confident9 Ų947.7 Ų47.74%0.03925%0.245CC..Hα-helixtrans-79.4-31.8173.1-72.7-66.1000112.9Y17 L20 K21 N166 F167 S175 I178Y17-F169 HydrophobicContact CD2-CD1 4.11Å; Y17-F169 HydrophobicContact CG-CD1 4.11Å; Y17-F169 HydrophobicContact CG-CE1 4.27Å; L20-F169 HydrophobicContact CB-CE1 4.14Å; L20-F169 HydrophobicContact CB-CZ 4.18Å; L20-F169 HydrophobicContact CD1-CE1 4.32Å; K21-F169 HydrophobicContact CG-CE2 4.22Å; K21-F169 HydrophobicContact CG-CZ 4.14Å; N166-F169 PolarHBondContact O-N 2.8Å; F167-F169 VanDerWaalsContact C-N 3.26Å; F167-F169 PolarHBondContact O-N 3.17Å; F169-S175 WeakPolarHBondContact O-CB 3.39Å; F169-I178 HydrophobicContact CD1-CD1 4.46Å; F169-I178 HydrophobicContact CD1-CG2 4.33Å; F169-I178 HydrophobicContact CE1-CG2 4.41Å
170K85.1Confident87.5Confident113 Ų11350 Ų5049%0.49125%0.254SS..Hα-helixtrans-94-16.7-175.5-65.9-176.1177.6-179.90113.5L10 N166 F167L10-K170 PolarHBondContact O-NZ 3.2Å; N166-K170 PolarHBondContact O-N 2.86Å; F167-K170 PolarHBondContact O-N 3.39Å
171Y88.6Confident87.6Confident72 Ų7247 Ų4728%0.28224%0.239SC..SBendtrans-72.7123.9-177.7-173.1-105.5000111.7F167 K173 T174 S175 F288 L292F167-Y171 HydrophobicContact CE1-CD2 4.04Å; F167-Y171 HydrophobicContact CE1-CG 4.21Å; F167-Y171 HydrophobicContact CE2-CD2 4.39Å; F167-Y171 AromaticContact CZ-CD2 3.64Å; F167-Y171 HydrophobicContact CZ-CD2 3.64Å; F167-Y171 HydrophobicContact CZ-CE2 4.24Å; F167-Y171 HydrophobicContact CZ-CG 4.24Å; F167-Y171 WeakPolarHBondContact O-CB 3.44Å; F167-Y171 PolarHBondContact O-N 3.02Å; Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 HydrophobicContact CD1-CB 4.03Å; Y171-K173 HydrophobicContact CE1-CB 3.68Å; Y171-K173 HydrophobicContact CE1-CD 4.06Å; Y171-K173 HydrophobicContact CE1-CG 3.89Å; Y171-K173 PolarHBondContact O-N 3.48Å; Y171-K173 VanDerWaalsContact O-N 3.13Å; Y171-T174 HydrophobicContact CD1-CG2 4.37Å; Y171-T174 PolarHBondContact O-N 3.29Å; Y171-T174 PolarHBondContact O-OG1 3.33Å; Y171-S175 WeakPolarHBondContact O-CB 3.22Å; Y171-S175 PolarHBondContact O-N 3.16Å; Y171-F288 AromaticContact CD1-CE1 3.92Å; Y171-F288 HydrophobicContact CD1-CE1 3.92Å; Y171-F288 HydrophobicContact CD1-CZ 4.41Å; Y171-F288 AromaticContact CE1-CE1 3.6Å; Y171-F288 HydrophobicContact CE1-CE1 3.6Å; Y171-F288 AromaticContact CE1-CZ 3.74Å; Y171-F288 HydrophobicContact CE1-CZ 3.74Å; Y171-L292 HydrophobicContact CD1-CD2 4.46Å
172P86.9Confident87.8Confident94 Ų9447.4 Ų47.461%0.6124%0.242SC*.Hα-helixtrans-57.8-35.8-167.5-29.335000116T174 S176P172-T174 VanDerWaalsContact C-N 3.31Å; P172-T174 PolarHBondContact O-N 2.93Å; P172-S176 PolarHBondContact O-N 3.36Å
173K85Confident88Confident141 Ų14150.3 Ų50.361%0.61326%0.263SS*.Hα-helixtrans-72-24.9-179.4-60.8-173.7175.6-178.90113Y171 F288Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 HydrophobicContact CD1-CB 4.03Å; Y171-K173 HydrophobicContact CE1-CB 3.68Å; Y171-K173 HydrophobicContact CE1-CD 4.06Å; Y171-K173 HydrophobicContact CE1-CG 3.89Å; Y171-K173 PolarHBondContact O-N 3.48Å; Y171-K173 VanDerWaalsContact O-N 3.13Å; K173-F288 HydrophobicContact CB-CE1 4.29Å
174T89.6Confident88.2Confident0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-95.7-40.7176.449.20000111.4W168 Y171 P172 S176 K177 I178 F288 I289 L292W168-T174 WeakPolarHBondContact O-CB 3.41Å; W168-T174 PolarHBondContact O-OG1 3.23Å; Y171-T174 HydrophobicContact CD1-CG2 4.37Å; Y171-T174 PolarHBondContact O-N 3.29Å; Y171-T174 PolarHBondContact O-OG1 3.33Å; P172-T174 VanDerWaalsContact C-N 3.31Å; P172-T174 PolarHBondContact O-N 2.93Å; T174-S176 VanDerWaalsContact C-N 3.32Å; T174-S176 PolarHBondContact O-N 3.08Å; T174-K177 PolarHBondContact O-N 2.9Å; T174-K177 VanDerWaalsContact O-N 3.16Å; T174-I178 VanDerWaalsContact O-CG1 3.31Å; T174-I178 WeakPolarHBondContact O-CG1 3.29Å; T174-I178 PolarHBondContact O-N 3.11Å; T174-F288 HydrophobicContact CG2-CD1 3.58Å; T174-F288 HydrophobicContact CG2-CE1 3.7Å; T174-I289 HydrophobicContact CG2-CG1 3.92Å; T174-L292 HydrophobicContact CG2-CD2 3.75Å
175S88.4Confident88.5Confident26 Ų2646.1 Ų46.118%0.18224%0.237CC..Hα-helixtrans-59.1-41.6-176.180.90000112F169 Y171 K177 I178 E179F169-S175 WeakPolarHBondContact O-CB 3.39Å; Y171-S175 WeakPolarHBondContact O-CB 3.22Å; Y171-S175 PolarHBondContact O-N 3.16Å; S175-K177 PolarHBondContact O-N 3.33Å; S175-I178 PolarHBondContact O-N 2.97Å; S175-E179 VanDerWaalsContact O-CB 3.27Å; S175-E179 WeakPolarHBondContact O-CB 3.41Å; S175-E179 PolarHBondContact O-N 2.76Å
176S88.7Confident88.8Confident79 Ų7946.8 Ų46.855%0.55224%0.244SC*.Hα-helixtrans-60.5-42.7178.51760000112.4P172 T174 H180P172-S176 PolarHBondContact O-N 3.36Å; T174-S176 VanDerWaalsContact C-N 3.32Å; T174-S176 PolarHBondContact O-N 3.08Å; S176-H180 WeakPolarHBondContact O-CB 3.3Å; S176-H180 PolarHBondContact O-N 3.49Å; S176-H180 VanDerWaalsContact O-N 3.11Å
177K89.8Confident89.2Confident36 Ų3654 Ų5416%0.15727%0.272CS..Hα-helixtrans-69-41.6177.4-66.8-171.9178.8-165.90111.7T174 S175 F181 V283 S286 I289T174-K177 PolarHBondContact O-N 2.9Å; T174-K177 VanDerWaalsContact O-N 3.16Å; S175-K177 PolarHBondContact O-N 3.33Å; K177-F181 WeakPolarHBondContact O-CB 3.47Å; K177-F181 PolarHBondContact O-N 2.77Å; K177-V283 HydrophobicContact CD-CG2 4.41Å; K177-S286 PolarHBondContact NZ-OG 3.06Å; K177-I289 HydrophobicContact CB-CD1 3.93Å; K177-I289 HydrophobicContact CD-CD1 4.27Å
178I90.8Very high89.3Confident1 Ų149.7 Ų49.71%0.00525%0.253CS..Hα-helixtrans-65-44.9178.6-69.9166.1000111Y17 L20 W168 F169 T174 S175 F181 V182 I289 L403Y17-I178 HydrophobicContact CD1-CG2 4.13Å; Y17-I178 HydrophobicContact CE1-CG2 4.08Å; L20-I178 HydrophobicContact CD1-CG2 3.47Å; L20-I178 VanDerWaalsContact CD1-CG2 3.47Å; W168-I178 HydrophobicContact CD2-CD1 4.38Å; W168-I178 HydrophobicContact CE3-CD1 3.48Å; W168-I178 VanDerWaalsContact CE3-CD1 3.48Å; W168-I178 HydrophobicContact CZ3-CD1 3.56Å; W168-I178 HydrophobicContact CZ3-CG1 4.28Å; F169-I178 HydrophobicContact CD1-CD1 4.46Å; F169-I178 HydrophobicContact CD1-CG2 4.33Å; F169-I178 HydrophobicContact CE1-CG2 4.41Å; T174-I178 VanDerWaalsContact O-CG1 3.31Å; T174-I178 WeakPolarHBondContact O-CG1 3.29Å; T174-I178 PolarHBondContact O-N 3.11Å; S175-I178 PolarHBondContact O-N 2.97Å; I178-F181 WeakPolarHBondContact O-CB 3.43Å; I178-F181 PolarHBondContact O-N 2.9Å; I178-V182 HydrophobicContact CG2-CG2 4.43Å; I178-V182 WeakPolarHBondContact O-CB 3.45Å; I178-V182 VanDerWaalsContact O-CG2 3.31Å; I178-V182 WeakPolarHBondContact O-CG2 3.49Å; I178-V182 PolarHBondContact O-N 3Å; I178-I289 HydrophobicContact CG1-CD1 4.23Å; I178-L403 HydrophobicContact CG1-CD2 4.31Å
179E89.9Confident89.3Confident106 Ų10652.8 Ų52.850%0.49527%0.266SS..Hα-helixtrans-63.3-44.8178.6-173.2179.6-178.300111.4S175 F181 V182 S183S175-E179 VanDerWaalsContact O-CB 3.27Å; S175-E179 WeakPolarHBondContact O-CB 3.41Å; S175-E179 PolarHBondContact O-N 2.76Å; E179-F181 PolarHBondContact O-N 2.93Å; E179-V182 PolarHBondContact O-N 2.78Å; E179-S183 VanDerWaalsContact O-CB 3.31Å; E179-S183 WeakPolarHBondContact O-CB 3.3Å; E179-S183 PolarHBondContact O-N 3.26Å
180H90.3Very high89.5Confident96 Ų9658.5 Ų58.544%0.44429%0.293SS..Hα-helixtrans-64.4-41.1176.6-159.390.1000111.9S176 S183 I184 F279S176-H180 WeakPolarHBondContact O-CB 3.3Å; S176-H180 PolarHBondContact O-N 3.49Å; S176-H180 VanDerWaalsContact O-N 3.11Å; H180-S183 PolarHBondContact O-N 2.82Å; H180-I184 WeakPolarHBondContact CD2-CD1 3.35Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.28Å; H180-I184 WeakPolarHBondContact O-CG1 3.44Å; H180-I184 PolarHBondContact O-N 2.68Å; H180-F279 HydrophobicContact CB-CD2 4.38Å; H180-F279 HydrophobicContact CB-CE2 3.96Å; H180-F279 AromaticContact CD2-CD2 3.12Å; H180-F279 WeakPolarHBondContact CD2-CD2 3.4Å; H180-F279 AromaticContact CD2-CE2 3.59Å; H180-F279 AromaticContact CD2-CG 3.8Å; H180-F279 AromaticContact NE2-CD2 3.93Å
181F92.3Very high89.7Confident1 Ų153.7 Ų53.70%0.00427%0.274CS..Hα-helixtrans-59.3-52.4174.5178-115.1000112L20 K177 I178 E179 S183 I184 L185 F279 F400 L403 L404 V407L20-F181 HydrophobicContact CD2-CD1 4.39Å; L20-F181 HydrophobicContact CD2-CE1 4.09Å; K177-F181 WeakPolarHBondContact O-CB 3.47Å; K177-F181 PolarHBondContact O-N 2.77Å; I178-F181 WeakPolarHBondContact O-CB 3.43Å; I178-F181 PolarHBondContact O-N 2.9Å; E179-F181 PolarHBondContact O-N 2.93Å; F181-S183 VanDerWaalsContact C-N 3.29Å; F181-S183 PolarHBondContact O-N 3.27Å; F181-I184 PolarHBondContact O-N 3.28Å; F181-L185 HydrophobicContact CE1-CD2 4.15Å; F181-L185 HydrophobicContact CZ-CD2 4.28Å; F181-L185 VanDerWaalsContact O-CB 3.28Å; F181-L185 WeakPolarHBondContact O-CB 3.35Å; F181-L185 PolarHBondContact O-N 3Å; F181-F279 HydrophobicContact CB-CE1 4.07Å; F181-F279 HydrophobicContact CB-CZ 3.64Å; F181-F279 AromaticContact CD2-CE1 3.72Å; F181-F279 HydrophobicContact CD2-CE1 3.72Å; F181-F279 HydrophobicContact CD2-CZ 4.16Å; F181-F279 HydrophobicContact CG-CE1 4.37Å; F181-F279 HydrophobicContact CG-CZ 4.37Å; F181-F400 HydrophobicContact CE2-CE2 4.48Å; F181-L403 HydrophobicContact CB-CD1 4.16Å; F181-L403 HydrophobicContact CD1-CB 4.07Å; F181-L403 HydrophobicContact CD1-CD1 4.07Å; F181-L403 HydrophobicContact CD1-CD2 4.49Å; F181-L403 HydrophobicContact CD1-CG 4.45Å; F181-L403 HydrophobicContact CD2-CD1 4.45Å; F181-L403 HydrophobicContact CE1-CB 3.78Å; F181-L403 HydrophobicContact CE2-CB 4.42Å; F181-L403 HydrophobicContact CG-CD1 3.97Å; F181-L403 HydrophobicContact CZ-CB 3.96Å; F181-L404 HydrophobicContact CE2-CD2 4.37Å; F181-L404 HydrophobicContact CZ-CD2 4.12Å; F181-L404 HydrophobicContact CZ-CG 4.36Å; F181-V407 HydrophobicContact CE1-CG2 3.61Å; F181-V407 HydrophobicContact CZ-CG2 3.97Å
182V91.8Very high89.6Confident13 Ų1353.1 Ų53.18%0.07928%0.279CS..Hα-helixtrans-63.4-37.5-178.81720000111.1Y17 L20 I178 E179 L185 G186Y17-V182 HydrophobicContact CD1-CG2 4.3Å; L20-V182 HydrophobicContact CD1-CG2 3.59Å; L20-V182 HydrophobicContact CG-CG2 4.3Å; I178-V182 HydrophobicContact CG2-CG2 4.43Å; I178-V182 WeakPolarHBondContact O-CB 3.45Å; I178-V182 VanDerWaalsContact O-CG2 3.31Å; I178-V182 WeakPolarHBondContact O-CG2 3.49Å; I178-V182 PolarHBondContact O-N 3Å; E179-V182 PolarHBondContact O-N 2.78Å; V182-L185 PolarHBondContact O-N 2.94Å; V182-G186 PolarHBondContact O-N 2.75Å
183S91.1Very high89.6Confident70 Ų7048.7 Ų48.749%0.4925%0.25SC..Hα-helixtrans-62-49174.9-172.10000111.9E179 H180 F181 G186 R187E179-S183 VanDerWaalsContact O-CB 3.31Å; E179-S183 WeakPolarHBondContact O-CB 3.3Å; E179-S183 PolarHBondContact O-N 3.26Å; H180-S183 PolarHBondContact O-N 2.82Å; F181-S183 VanDerWaalsContact C-N 3.29Å; F181-S183 PolarHBondContact O-N 3.27Å; S183-G186 PolarHBondContact O-N 2.89Å; S183-R187 VanDerWaalsContact O-CG 3.32Å; S183-R187 WeakPolarHBondContact O-CG 3.12Å; S183-R187 PolarHBondContact O-N 2.83Å; S183-R187 VanDerWaalsContact O-N 3.11Å
184I91.8Very high89.6Confident6 Ų642 Ų423%0.03122%0.221CC..Hα-helixtrans-62.7-47.1177-68.5176.9000110.2H180 F181 G186 R187 C188 L272 V276 F279 F418H180-I184 WeakPolarHBondContact CD2-CD1 3.35Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.28Å; H180-I184 WeakPolarHBondContact O-CG1 3.44Å; H180-I184 PolarHBondContact O-N 2.68Å; F181-I184 PolarHBondContact O-N 3.28Å; I184-G186 VanDerWaalsContact C-N 3.31Å; I184-G186 PolarHBondContact O-N 3Å; I184-R187 PolarHBondContact O-N 3.1Å; I184-R187 VanDerWaalsContact O-N 3.12Å; I184-C188 PolarHBondContact O-N 3.03Å; I184-C188 PolarHBondContact O-SG 3.28Å; I184-L272 HydrophobicContact CG2-CD1 4.3Å; I184-V276 HydrophobicContact CG2-CG2 3.62Å; I184-F279 HydrophobicContact CD1-CB 3.46Å; I184-F279 VanDerWaalsContact CD1-CB 3.46Å; I184-F279 HydrophobicContact CD1-CD1 3.94Å; I184-F279 HydrophobicContact CD1-CD2 4.17Å; I184-F279 HydrophobicContact CD1-CG 3.57Å; I184-F418 HydrophobicContact CG2-CE2 3.93Å
185L91.4Very high89.4Confident2 Ų245.3 Ų45.31%0.0124%0.241CC..Hα-helixtrans-58.9-43.3-178.2-172.567.3000111.7I19 F181 V182 C188 F189 V407 Y414 F418I19-L185 HydrophobicContact CG2-CD2 4.15Å; F181-L185 HydrophobicContact CE1-CD2 4.15Å; F181-L185 HydrophobicContact CZ-CD2 4.28Å; F181-L185 VanDerWaalsContact O-CB 3.28Å; F181-L185 WeakPolarHBondContact O-CB 3.35Å; F181-L185 PolarHBondContact O-N 3Å; V182-L185 PolarHBondContact O-N 2.94Å; L185-C188 PolarHBondContact O-N 3.43Å; L185-F189 WeakPolarHBondContact O-CB 3.42Å; L185-F189 PolarHBondContact O-N 3.24Å; L185-V407 HydrophobicContact CD2-CG1 3.9Å; L185-V407 HydrophobicContact CD2-CG2 3.77Å; L185-Y414 HydrophobicContact CD1-CD1 4.13Å; L185-Y414 HydrophobicContact CD2-CD1 3.98Å; L185-Y414 HydrophobicContact CD2-CG 4.36Å; L185-Y414 HydrophobicContact CG-CD1 3.74Å; L185-Y414 HydrophobicContact CG-CE1 4.45Å; L185-Y414 HydrophobicContact CG-CG 4.46Å; L185-F418 HydrophobicContact CD1-CB 4.08Å; L185-F418 HydrophobicContact CD1-CD2 3.81Å; L185-F418 HydrophobicContact CD1-CG 4.19Å
186G89.5Confident89.1Confident22 Ų2245.9 Ų45.923%0.22724%0.24CC..Hα-helixtrans-61-45.8174.300000112.3V182 S183 I184 C188 F189 E190V182-G186 PolarHBondContact O-N 2.75Å; S183-G186 PolarHBondContact O-N 2.89Å; I184-G186 VanDerWaalsContact C-N 3.31Å; I184-G186 PolarHBondContact O-N 3Å; G186-C188 PolarHBondContact O-N 3.1Å; G186-F189 PolarHBondContact O-N 3.04Å; G186-E190 WeakPolarHBondContact O-CG 3.29Å; G186-E190 PolarHBondContact O-N 3.11Å
187R91.5Very high88.7Confident155 Ų15542.2 Ų42.259%0.58521%0.214SC*.Hα-helixtrans-64.7-37.5176.8-66.4-61.9-171.2-173.74113S183 I184 F189 E190 S191 L272S183-R187 VanDerWaalsContact O-CG 3.32Å; S183-R187 WeakPolarHBondContact O-CG 3.12Å; S183-R187 PolarHBondContact O-N 2.83Å; S183-R187 VanDerWaalsContact O-N 3.11Å; I184-R187 PolarHBondContact O-N 3.1Å; I184-R187 VanDerWaalsContact O-N 3.12Å; R187-F189 VanDerWaalsContact C-N 3.32Å; R187-E190 IonicContact NH1-OE2 3.55Å; R187-E190 PolarHBondContact NH1-OE2 3.4Å; R187-S191 PolarHBondContact O-N 2.99Å; R187-S191 VanDerWaalsContact O-N 3.14Å; R187-L272 HydrophobicContact CB-CD1 3.96Å; R187-L272 HydrophobicContact CB-CD2 4.24Å
188C90.1Very high88.1Confident1 Ų143.1 Ų43.11%0.00722%0.221CC..Hα-helixtrans-63.9-41.4174.4-710000110.9I184 L185 G186 S191 L272 F418 F421I184-C188 PolarHBondContact O-N 3.03Å; I184-C188 PolarHBondContact O-SG 3.28Å; L185-C188 PolarHBondContact O-N 3.43Å; G186-C188 PolarHBondContact O-N 3.1Å; C188-S191 PolarHBondContact O-N 3.18Å; C188-L272 HydrophobicContact CB-CD2 4.28Å; C188-F418 HydrophobicContact CB-CD2 4.26Å; C188-F421 HydrophobicContact CB-CD2 3.82Å; C188-F421 HydrophobicContact CB-CE2 3.85Å; C188-F421 VanDerWaalsContact SG-CD2 3.6Å
189F88.3Confident87.5Confident65 Ų6545.6 Ų45.629%0.28524%0.238SC..Hα-helixtrans-68.4-39.8178.7-171.7-93.2000112.7L185 G186 R187 S191 L413 Y414 R417L185-F189 WeakPolarHBondContact O-CB 3.42Å; L185-F189 PolarHBondContact O-N 3.24Å; G186-F189 PolarHBondContact O-N 3.04Å; R187-F189 VanDerWaalsContact C-N 3.32Å; F189-S191 VanDerWaalsContact C-N 3.28Å; F189-S191 PolarHBondContact O-N 3.05Å; F189-L413 HydrophobicContact CE2-CB 4.48Å; F189-Y414 HydrophobicContact CB-CD1 4.03Å; F189-Y414 HydrophobicContact CB-CE1 3.78Å; F189-Y414 HydrophobicContact CD1-CE1 4.31Å; F189-Y414 AromaticContact CD2-CD1 3.72Å; F189-Y414 HydrophobicContact CD2-CD1 3.72Å; F189-Y414 AromaticContact CD2-CE1 3.63Å; F189-Y414 HydrophobicContact CD2-CE1 3.63Å; F189-Y414 HydrophobicContact CD2-CG 4.29Å; F189-Y414 HydrophobicContact CE2-CE1 4.31Å; F189-Y414 HydrophobicContact CG-CD1 4.06Å; F189-Y414 AromaticContact CG-CE1 3.64Å; F189-Y414 HydrophobicContact CG-CE1 3.64Å; F189-R417 PolarHBondContact O-NH1 3.42Å
190E88.6Confident86.5Confident130 Ų13043.4 Ų43.461%0.60723%0.228SC*.Hα-helixtrans-70.6-20176.7-73.1174.7177.600113.4G186 R187 P192G186-E190 WeakPolarHBondContact O-CG 3.29Å; G186-E190 PolarHBondContact O-N 3.11Å; R187-E190 IonicContact NH1-OE2 3.55Å; R187-E190 PolarHBondContact NH1-OE2 3.4Å; E190-P192 VanDerWaalsContact O-CD 3.31Å; E190-P192 WeakPolarHBondContact O-CD 3.46Å
191S88.7Confident85.3Confident12 Ų1239 Ų398%0.08421%0.208CC..  trans-68.2120.9-172.9-175.10000112.4R187 C188 F189 W193 T194R187-S191 PolarHBondContact O-N 2.99Å; R187-S191 VanDerWaalsContact O-N 3.14Å; C188-S191 PolarHBondContact O-N 3.18Å; F189-S191 VanDerWaalsContact C-N 3.28Å; F189-S191 PolarHBondContact O-N 3.05Å; S191-W193 PolarHBondContact O-N 3.09Å; S191-T194 PolarHBondContact O-N 3.46Å; S191-T194 PolarHBondContact O-OG1 3.06Å
192P87.1Confident83.8Confident59 Ų5941.9 Ų41.938%0.38323%0.232SC..Hα-helixtrans-60-27.2176.1-24.134.7000113.4E190 T194 T195 K196 L261E190-P192 VanDerWaalsContact O-CD 3.31Å; E190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-T194 VanDerWaalsContact C-N 3.31Å; P192-T194 PolarHBondContact O-N 2.96Å; P192-T195 PolarHBondContact O-N 3.06Å; P192-K196 PolarHBondContact O-N 2.93Å; P192-K196 VanDerWaalsContact O-N 3.14Å; P192-L261 HydrophobicContact CB-CD1 4.25Å
193W86.9Confident82.2Confident2 Ų243.8 Ų43.81%0.00825%0.245CC..Hα-helixtrans-54.6-44.3177.5171.9-111.8000112.6S191 T195 K196 A197 L261 A269 F273 F421 S426 K429 L430 I433S191-W193 PolarHBondContact O-N 3.09Å; W193-T195 VanDerWaalsContact C-N 3.27Å; W193-T195 PolarHBondContact O-N 3.4Å; W193-K196 PolarHBondContact O-N 2.98Å; W193-A197 HydrophobicContact CZ2-CB 4.41Å; W193-A197 WeakPolarHBondContact O-CB 3.27Å; W193-A197 PolarHBondContact O-N 3.05Å; W193-L261 HydrophobicContact CB-CD1 4.44Å; W193-L261 HydrophobicContact CE3-CD2 3.84Å; W193-L261 HydrophobicContact CZ3-CD2 4.41Å; W193-A269 HydrophobicContact CB-CB 3.9Å; W193-A269 HydrophobicContact CG-CB 4.11Å; W193-F273 AromaticContact NE1-CE2 3.77Å; W193-F273 AromaticContact NE1-CZ 3.82Å; W193-F421 AromaticContact CD1-CE1 3.9Å; W193-S426 WeakPolarHBondContact CZ2-O 3.44Å; W193-S426 PolarHBondContact NE1-OG 3.33Å; W193-K429 HydrophobicContact CH2-CB 4.27Å; W193-K429 HydrophobicContact CZ2-CB 4.49Å; W193-L430 HydrophobicContact CD2-CB 4.46Å; W193-L430 HydrophobicContact CD2-CD1 3.82Å; W193-L430 HydrophobicContact CE3-CD1 3.61Å; W193-L430 HydrophobicContact CG-CD1 4.48Å; W193-L430 HydrophobicContact CH2-CB 3.78Å; W193-L430 HydrophobicContact CH2-CD1 4.15Å; W193-L430 HydrophobicContact CZ2-CB 3.58Å; W193-L430 HydrophobicContact CZ2-CD1 4.35Å; W193-L430 HydrophobicContact CZ2-CG 4.49Å; W193-L430 HydrophobicContact CZ3-CB 4.3Å; W193-L430 HydrophobicContact CZ3-CD1 3.77Å; W193-I433 HydrophobicContact CH2-CD1 3.88Å; W193-I433 HydrophobicContact CZ3-CD1 3.68Å
194T84.9Confident80.7Confident0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-62.9-36.9-178.557.50000112.4S191 P192 L198 R417 I420 F421S191-T194 PolarHBondContact O-N 3.46Å; S191-T194 PolarHBondContact O-OG1 3.06Å; P192-T194 VanDerWaalsContact C-N 3.31Å; P192-T194 PolarHBondContact O-N 2.96Å; T194-L198 WeakPolarHBondContact O-CB 3.47Å; T194-L198 VanDerWaalsContact O-CG 3.27Å; T194-L198 WeakPolarHBondContact O-CG 3.22Å; T194-L198 PolarHBondContact O-N 3.27Å; T194-R417 HydrophobicContact CG2-CB 4.3Å; T194-I420 HydrophobicContact CG2-CD1 4.36Å; T194-F421 HydrophobicContact CG2-CD2 3.74Å; T194-F421 HydrophobicContact CG2-CE2 3.06Å; T194-F421 HydrophobicContact CG2-CZ 3.72Å
195T84.7Confident79Confident70 Ų7046.2 Ų46.243%0.42925%0.251SS..Hα-helixtrans-69.4-41.7179.1-55.80000110P192 W193 S199 R417P192-T195 PolarHBondContact O-N 3.06Å; W193-T195 VanDerWaalsContact C-N 3.27Å; W193-T195 PolarHBondContact O-N 3.4Å; T195-S199 WeakPolarHBondContact O-CB 3.09Å; T195-S199 PolarHBondContact O-N 3.32Å; T195-S199 PolarHBondContact O-OG 3.17Å; T195-R417 PolarHBondContact OG1-NH2 2.93Å
196K82.2Confident77.3Confident38 Ų3849.1 Ų49.117%0.16527%0.271CS..Hα-helixtrans-62.8-50.9174.9-178.5173173.9171.90111.9P192 W193 L198 S199 E200 L261P192-K196 PolarHBondContact O-N 2.93Å; P192-K196 VanDerWaalsContact O-N 3.14Å; W193-K196 PolarHBondContact O-N 2.98Å; K196-L198 VanDerWaalsContact C-N 3.31Å; K196-L198 PolarHBondContact O-N 3.43Å; K196-S199 WeakPolarHBondContact CA-OG 3.48Å; K196-S199 PolarHBondContact O-N 3.42Å; K196-S199 PolarHBondContact O-OG 3.12Å; K196-E200 WeakPolarHBondContact CE-OE1 3.34Å; K196-E200 HydrophobicContact CG-CG 4.48Å; K196-E200 IonicContact NZ-OE1 3.68Å; K196-E200 PolarHBondContact O-N 3.02Å; K196-L261 HydrophobicContact CD-CB 4.5Å
197A80.2Confident75.6Confident1 Ų151.7 Ų51.71%0.00828%0.278CS..Hα-helixtrans-56.7-44.3179.400000111.7W193 E200 T201 F390 I420W193-A197 HydrophobicContact CZ2-CB 4.41Å; W193-A197 WeakPolarHBondContact O-CB 3.27Å; W193-A197 PolarHBondContact O-N 3.05Å; A197-E200 PolarHBondContact O-N 2.96Å; A197-T201 WeakPolarHBondContact O-CG2 3.06Å; A197-T201 PolarHBondContact O-N 2.77Å; A197-T201 PolarHBondContact O-OG1 2.93Å; A197-F390 HydrophobicContact CB-CE2 4.5Å; A197-I420 HydrophobicContact CB-CG2 3.96Å
198L77.3Confident73.7Confident55 Ų5548 Ų4829%0.28827%0.267SS..Hα-helixtrans-67.2-34.5175.7-71.3169.2000113.5T194 K196 T201 A202 R417 I420T194-L198 WeakPolarHBondContact O-CB 3.47Å; T194-L198 VanDerWaalsContact O-CG 3.27Å; T194-L198 WeakPolarHBondContact O-CG 3.22Å; T194-L198 PolarHBondContact O-N 3.27Å; K196-L198 VanDerWaalsContact C-N 3.31Å; K196-L198 PolarHBondContact O-N 3.43Å; L198-T201 WeakPolarHBondContact CA-OG1 3.25Å; L198-T201 PolarHBondContact O-OG1 3.23Å; L198-A202 WeakPolarHBondContact O-CB 3.1Å; L198-A202 PolarHBondContact O-N 2.92Å; L198-A202 VanDerWaalsContact O-N 3.13Å; L198-R417 HydrophobicContact CD1-CG 4.18Å; L198-I420 HydrophobicContact CD1-CD1 3.8Å; L198-I420 HydrophobicContact CD2-CD1 3.69Å; L198-I420 HydrophobicContact CD2-CG1 4.38Å; L198-I420 HydrophobicContact CG-CD1 3.42Å; L198-I420 VanDerWaalsContact CG-CD1 3.42Å
199S78.6Confident71.6Confident53 Ų5352.6 Ų52.637%0.37129%0.291SS..Hα-helixtrans-70.1-38.5177.667.90000112.2T195 K196 A202 C203T195-S199 WeakPolarHBondContact O-CB 3.09Å; T195-S199 PolarHBondContact O-N 3.32Å; T195-S199 PolarHBondContact O-OG 3.17Å; K196-S199 WeakPolarHBondContact CA-OG 3.48Å; K196-S199 PolarHBondContact O-N 3.42Å; K196-S199 PolarHBondContact O-OG 3.12Å; S199-A202 PolarHBondContact O-N 3.15Å; S199-C203 PolarHBondContact O-N 2.73Å
200E68.8Low69.6Low60 Ų6055 Ų5528%0.2830%0.301SS..Hα-helixtrans-65.3-43.4177.2-74.2177.8178.800110.8K196 A197 A202 C203 E204K196-E200 WeakPolarHBondContact CE-OE1 3.34Å; K196-E200 HydrophobicContact CG-CG 4.48Å; K196-E200 IonicContact NZ-OE1 3.68Å; K196-E200 PolarHBondContact O-N 3.02Å; A197-E200 PolarHBondContact O-N 2.96Å; E200-A202 VanDerWaalsContact C-N 3.34Å; E200-A202 PolarHBondContact O-N 3.42Å; E200-C203 PolarHBondContact O-N 3.3Å; E200-E204 WeakPolarHBondContact O-CG 3.29Å; E200-E204 PolarHBondContact O-N 2.9Å
201T65.4Low67.6Low4 Ų453.6 Ų53.63%0.02530%0.295CS..Hα-helixtrans-63.7-38.5175.555.30000112.5A197 L198 C203 E204 D205 S389 F390A197-T201 WeakPolarHBondContact O-CG2 3.06Å; A197-T201 PolarHBondContact O-N 2.77Å; A197-T201 PolarHBondContact O-OG1 2.93Å; L198-T201 WeakPolarHBondContact CA-OG1 3.25Å; L198-T201 PolarHBondContact O-OG1 3.23Å; T201-C203 VanDerWaalsContact C-N 3.31Å; T201-C203 PolarHBondContact O-N 3.13Å; T201-E204 PolarHBondContact O-N 3.12Å; T201-D205 PolarHBondContact O-N 3.4Å; T201-S389 WeakPolarHBondContact CG2-OG 3.47Å; T201-F390 HydrophobicContact CG2-CD2 3.96Å; T201-F390 HydrophobicContact CG2-CE2 3.38Å; T201-F390 HydrophobicContact CG2-CZ 3.89Å
202A60Low65.6Low61 Ų6161.4 Ų61.450%0.50432%0.323SS..Hα-helixtrans-66.4-32.4176.900000112.8L198 S199 E200 S206L198-A202 WeakPolarHBondContact O-CB 3.1Å; L198-A202 PolarHBondContact O-N 2.92Å; L198-A202 VanDerWaalsContact O-N 3.13Å; S199-A202 PolarHBondContact O-N 3.15Å; E200-A202 VanDerWaalsContact C-N 3.34Å; E200-A202 PolarHBondContact O-N 3.42Å; A202-S206 PolarHBondContact O-N 3.44Å
203C60.2Low63.6Low54 Ų5464.4 Ų64.437%0.36534%0.335SS..Hα-helixtrans-71.9-42.2173.1-76.60000112.2S199 E200 T201 D205 S206 E207 V254S199-C203 PolarHBondContact O-N 2.73Å; E200-C203 PolarHBondContact O-N 3.3Å; T201-C203 VanDerWaalsContact C-N 3.31Å; T201-C203 PolarHBondContact O-N 3.13Å; C203-D205 VanDerWaalsContact C-N 3.34Å; C203-D205 PolarHBondContact O-N 3.23Å; C203-S206 PolarHBondContact O-N 3.38Å; C203-E207 PolarHBondContact O-N 2.81Å; C203-E207 VanDerWaalsContact O-N 3.12Å; C203-V254 HydrophobicContact CB-CG2 4.33Å
204E58.7Low61.2Low56 Ų5669.6 Ų69.626%0.26237%0.367SS..Hα-helixtrans-56.8-46.4174.9-72.6171.8178.400110.9E200 T201 S206 E207 E208 S389 K429E200-E204 WeakPolarHBondContact O-CG 3.29Å; E200-E204 PolarHBondContact O-N 2.9Å; T201-E204 PolarHBondContact O-N 3.12Å; E204-S206 PolarHBondContact O-N 3.15Å; E204-E207 PolarHBondContact O-N 3.09Å; E204-E208 PolarHBondContact O-N 3.32Å; E204-S389 PolarHBondContact OE2-OG 3.33Å; E204-S389 VanDerWaalsContact OE2-OG 3.07Å; E204-K429 IonicContact OE1-NZ 3.93Å; E204-K429 PolarHBondContact OE1-NZ 2.93Å; E204-K429 IonicContact OE2-NZ 3.69Å
205D55Low58.8Low71 Ų7172.8 Ų72.838%0.3840%0.4SS..Hα-helixtrans-65.7-36.4178-74.3-21.6000113T201 C203 E207 N209T201-D205 PolarHBondContact O-N 3.4Å; C203-D205 VanDerWaalsContact C-N 3.34Å; C203-D205 PolarHBondContact O-N 3.23Å; D205-E207 VanDerWaalsContact C-N 3.35Å; D205-N209 WeakPolarHBondContact O-CB 3.39Å; D205-N209 PolarHBondContact O-N 2.88Å
206S56.7Low56.5Low62 Ų6274 Ų7443%0.43441%0.411SS..Hα-helixtrans-66.9-35.8177.1-177.60000112.4A202 C203 E204 K210A202-S206 PolarHBondContact O-N 3.44Å; C203-S206 PolarHBondContact O-N 3.38Å; E204-S206 PolarHBondContact O-N 3.15Å; S206-K210 PolarHBondContact O-N 3.01Å; S206-K210 VanDerWaalsContact O-N 3.07Å
207E53.1Low54.1Low77 Ų7777.1 Ų77.136%0.3644%0.438SS..Hα-helixtrans-76.9-37.4177.4-73.3-60.5135.200111.4C203 E204 D205 N209 K210 Q211C203-E207 PolarHBondContact O-N 2.81Å; C203-E207 VanDerWaalsContact O-N 3.12Å; E204-E207 PolarHBondContact O-N 3.09Å; D205-E207 VanDerWaalsContact C-N 3.35Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.14Å; E207-K210 PolarHBondContact O-N 3.13Å; E207-K210 IonicContact OE1-NZ 2.57Å; E207-K210 PolarHBondContact OE1-NZ 3.17Å; E207-Q211 WeakPolarHBondContact O-CG 3.47Å; E207-Q211 PolarHBondContact O-N 3.05Å
208E51.8Low51.7Low78 Ų7883.1 Ų83.136%0.36448%0.48SS..Hα-helixtrans-58.6-42.4169-85.5-138.8154.300111.9E204 Q211 R212E204-E208 PolarHBondContact O-N 3.32Å; E208-Q211 PolarHBondContact O-N 2.87Å; E208-R212 WeakPolarHBondContact O-CG 3.49Å; E208-R212 PolarHBondContact O-N 3.47Å; E208-R212 IonicContact OE2-CZ 2.68Å; E208-R212 IonicContact OE2-NH2 2.64Å; E208-R212 PolarHBondContact OE2-NH2 2.84Å
209N47Very low49.2Very low96 Ų9684 Ų8451%0.51350%0.502SS..Hα-helixtrans-71.2-36.7-178.6-15014.2000111.7D205 E207 R212 L213D205-N209 WeakPolarHBondContact O-CB 3.39Å; D205-N209 PolarHBondContact O-N 2.88Å; E207-N209 VanDerWaalsContact C-N 3.3Å; E207-N209 PolarHBondContact O-N 3.14Å; N209-R212 PolarHBondContact O-N 2.99Å; N209-L213 VanDerWaalsContact O-CD1 3.3Å; N209-L213 WeakPolarHBondContact O-CD1 3.48Å; N209-L213 PolarHBondContact O-N 2.83Å; N209-L213 VanDerWaalsContact O-N 3.07Å
210K46.6Very low46.9Very low115 Ų11587.8 Ų87.850%0.553%0.526SS..Hα-helixtrans-61.4-43.8169.6-83.2179.7-170.4162.30112S206 E207 R212 L213 T214S206-K210 PolarHBondContact O-N 3.01Å; S206-K210 VanDerWaalsContact O-N 3.07Å; E207-K210 PolarHBondContact O-N 3.13Å; E207-K210 IonicContact OE1-NZ 2.57Å; E207-K210 PolarHBondContact OE1-NZ 3.17Å; K210-R212 VanDerWaalsContact C-N 3.33Å; K210-R212 PolarHBondContact O-N 2.9Å; K210-L213 PolarHBondContact O-N 2.88Å; K210-L213 VanDerWaalsContact O-N 3.17Å; K210-T214 WeakPolarHBondContact O-CG2 3.34Å; K210-T214 PolarHBondContact O-N 3.22Å; K210-T214 PolarHBondContact O-OG1 3.04Å; K210-T214 VanDerWaalsContact O-OG1 3.08Å
211Q45.5Very low44.8Very low102 Ų10294.9 Ų94.948%0.47756%0.556SS.*Hα-helixtrans-64.8-35.5178.2-73.7-179.710.400112.5E207 E208 T214 G215E207-Q211 WeakPolarHBondContact O-CG 3.47Å; E207-Q211 PolarHBondContact O-N 3.05Å; E208-Q211 PolarHBondContact O-N 2.87Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.25Å; Q211-T214 PolarHBondContact O-OG1 2.88Å; Q211-G215 PolarHBondContact O-N 2.96Å
212R47.6Very low42.9Very low176 Ų176104.1 Ų104.166%0.66460%0.598SS**Hα-helixtrans-66-36.6172-72.2-179.8-162.2-176.19.6112.4E208 N209 K210E208-R212 WeakPolarHBondContact O-CG 3.49Å; E208-R212 PolarHBondContact O-N 3.47Å; E208-R212 IonicContact OE2-CZ 2.68Å; E208-R212 IonicContact OE2-NH2 2.64Å; E208-R212 PolarHBondContact OE2-NH2 2.84Å; N209-R212 PolarHBondContact O-N 2.99Å; K210-R212 VanDerWaalsContact C-N 3.33Å; K210-R212 PolarHBondContact O-N 2.9Å
213L44.6Very low41.1Very low122 Ų122107.2 Ų107.264%0.63961%0.611SS**Hα-helixtrans-75.6-31.7176.7-93.4119.9000113.7N209 K210 G215N209-L213 VanDerWaalsContact O-CD1 3.3Å; N209-L213 WeakPolarHBondContact O-CD1 3.48Å; N209-L213 PolarHBondContact O-N 2.83Å; N209-L213 VanDerWaalsContact O-N 3.07Å; K210-L213 PolarHBondContact O-N 2.88Å; K210-L213 VanDerWaalsContact O-N 3.17Å; L213-G215 VanDerWaalsContact C-N 3.33Å
214T36.3Very low39.3Very low110 Ų110109.6 Ų109.668%0.67563%0.628SS**Hα-helixtrans-82-10.817654.20000113.7K210 Q211 S216K210-T214 WeakPolarHBondContact O-CG2 3.34Å; K210-T214 PolarHBondContact O-N 3.22Å; K210-T214 PolarHBondContact O-OG1 3.04Å; K210-T214 VanDerWaalsContact O-OG1 3.08Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.25Å; Q211-T214 PolarHBondContact O-OG1 2.88Å; T214-S216 VanDerWaalsContact C-N 3.33Å
215G33.8Very low37.7Very low68 Ų68114.6 Ų114.670%0.70166%0.656SS**THydrogen-bonded Turntrans-80.9-3.717500000115.1Q211 L213Q211-G215 PolarHBondContact O-N 2.96Å; L213-G215 VanDerWaalsContact C-N 3.33Å
216S36.4Very low36.2Very low94 Ų94120.5 Ų120.566%0.65768%0.681SS**SBendtrans-125.166-179.777.10000113T214T214-S216 VanDerWaalsContact C-N 3.33Å
217S32.5Very low34.7Very low105 Ų105121.4 Ų121.473%0.73470%0.7SS**  trans-159.494.6157.363.80000112.9
218S30.3Very low33.3Very low126 Ų126127 Ų12788%0.88172%0.723SS**  trans-167.2116.7145.458.10000111.8
219G24.9Very low31.9Very low74 Ų74130.4 Ų130.476%0.76374%0.744SS**  trans127.4116.6157.100000115.9
220P30.1Very low30.7Very low133 Ų133134 Ų13486%0.86476%0.757SS**  trans-83.8159.5-167.534.9-34.3000114.3
221K23.8Very low29.6Very low209 Ų209133.7 Ų133.791%0.90977%0.77SS**  trans-51129172.7-68.5173175.6176.40112.5
222Q25.1Very low29.3Very low197 Ų197133.7 Ų133.792%0.92178%0.779SS**  trans-133.1125.6148.6-124.4179.7-400109.8
223V23.2Very low28.1Very low127 Ų127132.1 Ų132.177%0.7778%0.784SS**  trans-77137.2174.5169.60000108.6
224S22.6Very low27.2Very low103 Ų103131.7 Ų131.772%0.7279%0.786SS**  trans172121131.6-730000113.6
225L25.1Very low26.6Very low161 Ų161133.6 Ų133.684%0.84379%0.792SS**  trans44.6143140.1-76.8107000124.9
226E23.4Very low26.4Very low196 Ų196136.2 Ų136.292%0.91680%0.797SS**  trans-56.1158.3177.3-61.8167.9131.400117
227G24.5Very low25.9Very low80 Ų80136.9 Ų136.983%0.82580%0.802SS**  trans166.2118.5156.700000114.4
228K24.2Very low25.6Very low195 Ų195138 Ų13885%0.84880%0.804SS**  trans-66155.2174.1-71.3167.7160.8175.70113.1
229D22.9Very low25.4Very low149 Ų149137.6 Ų137.680%0.79780%0.799SS**  169.2171.1116.6-84.2-20.1000113.9
230E22.3Very low25.3Very low172 Ų172142.9 Ų142.980%0.80481%0.805SS**  trans-77.9145.9-146.8-64.1164.6132.400119.8
231S21.6Very low25.2Very low109 Ų109144.1 Ų144.176%0.76280%0.804SS**  trans30.3174.9137.273.80000124.3
232P39.3Very low25.2Very low102 Ų102137.3 Ų137.366%0.66279%0.793SS**  -126.8167.7-53.634.6-17.5000112.6
233D22.8Very low25.4Very low143 Ų143133.6 Ų133.677%0.76578%0.783SS**  trans162.3130.5132.7-88.3-22.9000117
234T25.8Very low25.4Very low112 Ų112137.2 Ų137.269%0.68779%0.789SS**  trans56.6103.2144.952.90000122.7
235N24.5Very low25.7Very low150 Ų150136 Ų13680%0.80278%0.777SS**  161.5145.592.5-93-23.6000111.8
236P28.5Very low25.8Very low123 Ų123133.6 Ų133.680%0.79977%0.774SS**  trans-97.4127.7-169.635.4-27.4000112.1
237S25.6Very low25.8Very low109 Ų109128.6 Ų128.676%0.76277%0.766SS**  trans-118.9107.5163.150.50000110.1
238T26.7Very low26.1Very low127 Ų127131 Ų13178%0.77976%0.76SS**  trans27.7120.4147.523.50000119M240T238-M240 PolarHBondContact O-N 3.11Å
239P25.8Very low26.3Very low119 Ų119128.8 Ų128.877%0.77375%0.75SS**  trans-75.9116.7164.131.5-27.2000108.7L241P239-L241 PolarHBondContact O-N 3.35Å
240M24.3Very low26.4Very low184 Ų184126.9 Ų126.991%0.90675%0.746SS**  trans-66.1113.7163-90.6-158.176.500108.4T238 G242T238-M240 PolarHBondContact O-N 3.11Å; M240-G242 VanDerWaalsContact C-N 3.28Å; M240-G242 PolarHBondContact O-N 3.47Å
241L27Very low26.8Very low160 Ų160125.2 Ų125.284%0.83874%0.741SS**  trans-6788.2165.4-131.796.9000108P239 V243P239-L241 PolarHBondContact O-N 3.35Å; L241-V243 PolarHBondContact O-N 3.06Å
242G24.9Very low27.1Very low65 Ų65123 Ų12367%0.6773%0.729SS**  trans-73106.9166.800000108.9M240 K244M240-G242 VanDerWaalsContact C-N 3.28Å; M240-G242 PolarHBondContact O-N 3.47Å; G242-K244 PolarHBondContact O-N 2.96Å; G242-K244 VanDerWaalsContact O-N 3.09Å
243V28.1Very low26.6Very low119 Ų119125.9 Ų125.972%0.72173%0.734SS**  trans-56.4113.1165.61740000107.4L241 V245L241-V243 PolarHBondContact O-N 3.06Å; V243-V245 VanDerWaalsContact C-N 3.3Å; V243-V245 PolarHBondContact O-N 2.92Å
244K24.2Very low26.8Very low204 Ų204123.3 Ų123.389%0.88772%0.723SS**  trans-6692169-95.1179.2172.21790107.8G242 S246G242-K244 PolarHBondContact O-N 2.96Å; G242-K244 VanDerWaalsContact O-N 3.09Å; K244-S246 PolarHBondContact O-N 3.11Å
245V27.9Very low27Very low78 Ų78122.6 Ų122.647%0.47372%0.72SS.*  trans-63.3123.9156.4177.70000106V243 A247V243-V245 VanDerWaalsContact C-N 3.3Å; V243-V245 PolarHBondContact O-N 2.92Å; V245-A247 PolarHBondContact O-N 2.9Å
246S27.1Very low27.2Very low110 Ų110121.6 Ų121.677%0.76973%0.725SS**  trans-47110.7179.5-110.30000110.2K244 D248K244-S246 PolarHBondContact O-N 3.11Å; S246-D248 PolarHBondContact O-N 3.02Å
247A24.4Very low27.3Very low91 Ų91120.5 Ų120.575%0.75272%0.72SS**  trans-83.485.3174.400000108.3V245V245-A247 PolarHBondContact O-N 2.9Å
248D29.1Very low27.7Very low131 Ų131122.6 Ų122.670%0.70172%0.72SS**PPolyproline II helixtrans-73.8121.1154.6-76.3-22.8000106.9S246S246-D248 PolarHBondContact O-N 3.02Å
249K28.4Very low28.6Very low148 Ų148122.1 Ų122.164%0.64372%0.717SS**PPolyproline II helixtrans-68.3151.4-178.6-77.9178-177.5173.40110.4I251K249-I251 PolarHBondContact O-N 3.15Å
250P25.8Very low30Very low108 Ų108122.8 Ų122.870%0.70171%0.713SS**PPolyproline II helixtrans-65122.9-176.826.6-33.3000111A252P250-A252 PolarHBondContact O-N 2.99Å
251I30.7Very low32Very low137 Ų137115 Ų11570%0.70368%0.675SS**  trans-74.7104.3162.8-59172.6000106K249K249-I251 PolarHBondContact O-N 3.15Å
252A27.7Very low34.1Very low63 Ų63112.1 Ų112.152%0.52166%0.66SS.*PPolyproline II helixtrans-70.3136.2172.800000109.8P250 V254P250-A252 PolarHBondContact O-N 2.99Å; A252-V254 PolarHBondContact O-N 2.85Å
253E29.7Very low36.6Very low162 Ų162114.1 Ų114.176%0.75765%0.65SS**PPolyproline II helixtrans-57.1120.4-176.4-67.9179.5145.200112.4K492E253-K492 IonicContact OE1-NZ 2.85Å
254V27.1Very low39.3Very low89 Ų89115.3 Ų115.354%0.53965%0.646SS.*PPolyproline II helixtrans-86.7142.5162.71790000107.8C203 A252 S256C203-V254 HydrophobicContact CB-CG2 4.33Å; A252-V254 PolarHBondContact O-N 2.85Å; V254-S256 PolarHBondContact O-N 2.69Å
255P29.1Very low42.1Very low97 Ų97107.5 Ų107.563%0.6361%0.614SS**PPolyproline II helixtrans-59.8136.3-173.4-17.429.1000111.7S257P255-S257 PolarHBondContact O-N 3.14Å
256S29.8Very low44.8Very low130 Ų130104.1 Ų104.191%0.90960%0.595SS**THydrogen-bonded Turntrans-69.246.9178.354.50000113.9V254V254-S256 PolarHBondContact O-N 2.69Å
257S30.4Very low47.6Very low99 Ų99103.6 Ų103.669%0.69258%0.58SS**THydrogen-bonded Turntrans-132.93.5-177.364.90000115.7P255 T259P255-S257 PolarHBondContact O-N 3.14Å; S257-T259 PolarHBondContact O-N 3.14Å
258M34.4Very low50.7Low153 Ų153104.3 Ų104.375%0.75457%0.568SS**SBendtrans-95.195.3169.8-67.7-155.2113.700110.9
259T44.8Very low53.5Low118 Ų11898 Ų9872%0.72453%0.534SS*.  trans41.391164.650.30000115.1S257 L261S257-T259 PolarHBondContact O-N 3.14Å; T259-L261 PolarHBondContact O-N 3.49Å
260I54.4Low56.4Low132 Ų13296.9 Ų96.968%0.67753%0.529SS*.  trans-48.8120167-66.1166.4000108D262I260-D262 PolarHBondContact O-N 2.63Å; I260-D262 VanDerWaalsContact O-N 3.16Å
261L66.3Low59.5Low20 Ų2094.1 Ų94.111%0.10552%0.516CS..  trans-67113.5170.8-171.380.3000106.2P192 W193 K196 T259 D265 L430P192-L261 HydrophobicContact CB-CD1 4.25Å; W193-L261 HydrophobicContact CB-CD1 4.44Å; W193-L261 HydrophobicContact CE3-CD2 3.84Å; W193-L261 HydrophobicContact CZ3-CD2 4.41Å; K196-L261 HydrophobicContact CD-CB 4.5Å; T259-L261 PolarHBondContact O-N 3.49Å; L261-D265 HydrophobicContact CD1-CB 3.77Å; L261-D265 HydrophobicContact CG-CB 4.03Å; L261-L430 HydrophobicContact CD2-CD1 3.81Å
262D71.4Confident62.4Low101 Ų10188.3 Ų88.354%0.5449%0.486SS..  trans-61.4146.8178.1-82.7-18.7000109.8I260 K264 D265 G266I260-D262 PolarHBondContact O-N 2.63Å; I260-D262 VanDerWaalsContact O-N 3.16Å; D262-K264 PolarHBondContact O-N 3.19Å; D262-D265 PolarHBondContact O-N 3.22Å; D262-G266 PolarHBondContact O-N 3.01Å; D262-G266 VanDerWaalsContact O-N 3.14Å
263K78.9Confident65.5Low106 Ų10685.5 Ų85.546%0.46146%0.462SS..Hα-helixtrans-46.2-40.6178-173.1177.7176.7-179.20112.6D265 G266 E267K263-D265 PolarHBondContact O-N 3.38Å; K263-G266 PolarHBondContact O-N 3.28Å; K263-E267 WeakPolarHBondContact CE-OE1 3.41Å; K263-E267 PolarHBondContact O-N 3.32Å
264K83.3Confident68.4Low144 Ų14481.2 Ų81.263%0.62644%0.442SS*.Hα-helixtrans-61.9-41179.4-172.4-178.8177.8-1740112.4D262 Q268D262-K264 PolarHBondContact O-N 3.19Å; K264-Q268 WeakPolarHBondContact O-CB 3.39Å; K264-Q268 VanDerWaalsContact O-CG 3.23Å; K264-Q268 WeakPolarHBondContact O-CG 3.5Å; K264-Q268 PolarHBondContact O-N 3.06Å
265D84.1Confident71.5Confident41 Ų4182.8 Ų82.822%0.21944%0.441CS..Hα-helixtrans-74.7-34.6-178.3-63.5-19.3000111.1L261 D262 K263 Q268 A269L261-D265 HydrophobicContact CD1-CB 3.77Å; L261-D265 HydrophobicContact CG-CB 4.03Å; D262-D265 PolarHBondContact O-N 3.22Å; K263-D265 PolarHBondContact O-N 3.38Å; D265-Q268 PolarHBondContact O-N 2.84Å; D265-A269 WeakPolarHBondContact O-CB 3.39Å; D265-A269 PolarHBondContact O-N 2.73Å
266G84.7Confident74.6Confident6 Ų678.2 Ų78.26%0.06241%0.412CS..Hα-helixtrans-63.8-45.5172.900000112.9D262 K263 A269 K270D262-G266 PolarHBondContact O-N 3.01Å; D262-G266 VanDerWaalsContact O-N 3.14Å; K263-G266 PolarHBondContact O-N 3.28Å; G266-A269 PolarHBondContact O-N 3.34Å; G266-K270 PolarHBondContact O-N 2.71Å
267E85.6Confident77.5Confident100 Ų10077.2 Ų77.247%0.46739%0.388SS..Hα-helixtrans-64.4-39.9175.4-73.2179.3-171.500112K263 K270 A271K263-E267 WeakPolarHBondContact CE-OE1 3.41Å; K263-E267 PolarHBondContact O-N 3.32Å; E267-K270 PolarHBondContact O-N 2.83Å; E267-A271 PolarHBondContact O-N 2.78Å
268Q88.8Confident80.3Confident105 Ų10578.8 Ų78.849%0.49138%0.382SS..Hα-helixtrans-62.3-43.8174-76.2178.711.700112K264 D265 A271 L272K264-Q268 WeakPolarHBondContact O-CB 3.39Å; K264-Q268 VanDerWaalsContact O-CG 3.23Å; K264-Q268 WeakPolarHBondContact O-CG 3.5Å; K264-Q268 PolarHBondContact O-N 3.06Å; D265-Q268 PolarHBondContact O-N 2.84Å; Q268-A271 PolarHBondContact O-N 3.39Å; Q268-L272 WeakPolarHBondContact O-CB 3.49Å; Q268-L272 PolarHBondContact O-N 3.01Å
269A89.1Confident83Confident0 Ų071.9 Ų71.90%035%0.348CS..Hα-helixtrans-62.2-43.217600000111.2W193 D265 G266 A271 L272 F273 F421 L430W193-A269 HydrophobicContact CB-CB 3.9Å; W193-A269 HydrophobicContact CG-CB 4.11Å; D265-A269 WeakPolarHBondContact O-CB 3.39Å; D265-A269 PolarHBondContact O-N 2.73Å; G266-A269 PolarHBondContact O-N 3.34Å; A269-A271 PolarHBondContact O-N 3.35Å; A269-L272 WeakPolarHBondContact O-CA 3.41Å; A269-L272 WeakPolarHBondContact O-CB 3.47Å; A269-L272 PolarHBondContact O-N 3.15Å; A269-F273 VanDerWaalsContact O-CD2 3.24Å; A269-F273 WeakPolarHBondContact O-CD2 3.32Å; A269-F273 PolarHBondContact O-N 2.82Å; A269-F421 HydrophobicContact CB-CE1 4.27Å; A269-L430 HydrophobicContact CB-CD1 4.4Å; A269-L430 HydrophobicContact CB-CD2 3.62Å
270K88.9Confident85.2Confident124 Ų12469.1 Ų69.154%0.53932%0.324SS..Hα-helixtrans-59.6-44.6175.7-174.8179.2-179.31780112.3G266 E267 L272 F273 E274 L430G266-K270 PolarHBondContact O-N 2.71Å; E267-K270 PolarHBondContact O-N 2.83Å; K270-L272 PolarHBondContact O-N 3.05Å; K270-F273 PolarHBondContact O-N 2.81Å; K270-E274 PolarHBondContact O-N 3.15Å; K270-L430 HydrophobicContact CB-CD2 4.46Å
271A90.6Very high86.8Confident50 Ų5065.8 Ų65.841%0.41332%0.317SS..Hα-helixtrans-63.6-31.117500000112.1E267 Q268 A269 K275E267-A271 PolarHBondContact O-N 2.78Å; Q268-A271 PolarHBondContact O-N 3.39Å; A269-A271 PolarHBondContact O-N 3.35Å; A271-K275 WeakPolarHBondContact O-CG 3.34Å; A271-K275 PolarHBondContact O-N 2.89Å; A271-K275 VanDerWaalsContact O-N 3.12Å
272L92.3Very high87.8Confident14 Ų1470.8 Ų70.87%0.07334%0.339CS..Hα-helixtrans-73.5-41.5178.4-166.158.3000112.4I184 R187 C188 Q268 A269 K270 E274 K275 V276 F421I184-L272 HydrophobicContact CG2-CD1 4.3Å; R187-L272 HydrophobicContact CB-CD1 3.96Å; R187-L272 HydrophobicContact CB-CD2 4.24Å; C188-L272 HydrophobicContact CB-CD2 4.28Å; Q268-L272 WeakPolarHBondContact O-CB 3.49Å; Q268-L272 PolarHBondContact O-N 3.01Å; A269-L272 WeakPolarHBondContact O-CA 3.41Å; A269-L272 WeakPolarHBondContact O-CB 3.47Å; A269-L272 PolarHBondContact O-N 3.15Å; K270-L272 PolarHBondContact O-N 3.05Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.11Å; L272-K275 PolarHBondContact O-N 3.03Å; L272-K275 VanDerWaalsContact O-N 3.16Å; L272-V276 HydrophobicContact CG-CG2 4.47Å; L272-V276 WeakPolarHBondContact O-CB 3.44Å; L272-V276 VanDerWaalsContact O-CG2 3.29Å; L272-V276 WeakPolarHBondContact O-CG2 3.34Å; L272-V276 PolarHBondContact O-N 3.02Å; L272-F421 HydrophobicContact CB-CE1 4.21Å; L272-F421 HydrophobicContact CD2-CD1 4.47Å; L272-F421 HydrophobicContact CD2-CD2 4.48Å; L272-F421 HydrophobicContact CD2-CE1 3.95Å; L272-F421 HydrophobicContact CD2-CE2 3.88Å; L272-F421 HydrophobicContact CD2-CZ 3.64Å; L272-F421 HydrophobicContact CG-CD1 4.44Å; L272-F421 HydrophobicContact CG-CE1 4.26Å; L272-F421 HydrophobicContact CG-CZ 4.42Å
273F91.9Very high88.5Confident4 Ų466 Ų662%0.01831%0.314CS..Hα-helixtrans-53.3-46.9171.4-84.8-79.6000111.5W193 A269 K270 K275 V276 R277 F421 E427 L430W193-F273 AromaticContact NE1-CE2 3.77Å; W193-F273 AromaticContact NE1-CZ 3.82Å; A269-F273 VanDerWaalsContact O-CD2 3.24Å; A269-F273 WeakPolarHBondContact O-CD2 3.32Å; A269-F273 PolarHBondContact O-N 2.82Å; K270-F273 PolarHBondContact O-N 2.81Å; F273-K275 PolarHBondContact O-N 3.05Å; F273-V276 PolarHBondContact O-N 2.78Å; F273-R277 WeakPolarHBondContact O-CB 3.32Å; F273-R277 PolarHBondContact O-N 3.31Å; F273-F421 HydrophobicContact CD1-CB 4.47Å; F273-F421 HydrophobicContact CD1-CD1 4.07Å; F273-F421 VanDerWaalsContact CD1-O 3.24Å; F273-F421 WeakPolarHBondContact CD1-O 3.31Å; F273-F421 AromaticContact CD2-CD1 3.71Å; F273-F421 HydrophobicContact CD2-CD1 3.71Å; F273-F421 AromaticContact CD2-CE1 3.96Å; F273-F421 HydrophobicContact CD2-CE1 3.96Å; F273-F421 VanDerWaalsContact CE1-CA 3.48Å; F273-F421 HydrophobicContact CE1-CB 4.34Å; F273-F421 AromaticContact CE1-CD1 3.98Å; F273-F421 HydrophobicContact CE1-CD1 3.98Å; F273-F421 WeakPolarHBondContact CE1-O 3.43Å; F273-F421 AromaticContact CE2-CD1 3.57Å; F273-F421 HydrophobicContact CE2-CD1 3.57Å; F273-F421 AromaticContact CE2-CE1 3.73Å; F273-F421 HydrophobicContact CE2-CE1 3.73Å; F273-F421 AromaticContact CG-CD1 3.94Å; F273-F421 HydrophobicContact CG-CD1 3.94Å; F273-F421 AromaticContact CZ-CD1 3.71Å; F273-F421 HydrophobicContact CZ-CD1 3.71Å; F273-F421 HydrophobicContact CZ-CE1 4.23Å; F273-E427 HydrophobicContact CD1-CB 3.97Å; F273-E427 HydrophobicContact CD1-CG 4.19Å; F273-E427 HydrophobicContact CD2-CG 4.45Å; F273-E427 HydrophobicContact CE1-CB 3.84Å; F273-E427 HydrophobicContact CE1-CG 4.49Å; F273-E427 HydrophobicContact CG-CB 4.41Å; F273-E427 HydrophobicContact CG-CG 4.18Å; F273-E427 HydrophobicContact CZ-CB 4.2Å; F273-L430 HydrophobicContact CD2-CD2 3.88Å; F273-L430 HydrophobicContact CE2-CD2 3.67Å
274E91.2Very high88.9Confident72 Ų7262.5 Ų62.534%0.33630%0.299SS..Hα-helixtrans-63.2-42.4177.8-175.663.8-162.700112.5K270 L272 R277 K278K270-E274 PolarHBondContact O-N 3.15Å; L272-E274 VanDerWaalsContact C-N 3.29Å; L272-E274 PolarHBondContact O-N 3.11Å; E274-R277 PolarHBondContact O-N 3.33Å; E274-R277 IonicContact OE2-CZ 3.05Å; E274-R277 IonicContact OE2-NH1 3Å; E274-R277 PolarHBondContact OE2-NH1 2.76Å; E274-K278 HydrophobicContact CG-CD 4.45Å; E274-K278 WeakPolarHBondContact O-CG 3.14Å; E274-K278 PolarHBondContact O-N 3.13Å; E274-K278 WeakPolarHBondContact OE1-CE 3.36Å; E274-K278 IonicContact OE1-NZ 2.63Å; E274-K278 PolarHBondContact OE1-NZ 2.95Å
275K92.5Very high88.9Confident122 Ų12262.7 Ų62.753%0.5331%0.307SS..Hα-helixtrans-64.4-43.9176.5-77.1177.4-179.5-179.20111.9A271 L272 F273 K278 F279A271-K275 WeakPolarHBondContact O-CG 3.34Å; A271-K275 PolarHBondContact O-N 2.89Å; A271-K275 VanDerWaalsContact O-N 3.12Å; L272-K275 PolarHBondContact O-N 3.03Å; L272-K275 VanDerWaalsContact O-N 3.16Å; F273-K275 PolarHBondContact O-N 3.05Å; K275-K278 PolarHBondContact O-N 2.98Å; K275-F279 WeakPolarHBondContact O-CB 3.34Å; K275-F279 PolarHBondContact O-N 2.92Å
276V92.5Very high89Confident1 Ų161.8 Ų61.81%0.00630%0.304CS..Hα-helixtrans-61.1-45.9177.31700000110.2I184 L272 F273 K278 F279 R280 F418 F421 L422I184-V276 HydrophobicContact CG2-CG2 3.62Å; L272-V276 HydrophobicContact CG-CG2 4.47Å; L272-V276 WeakPolarHBondContact O-CB 3.44Å; L272-V276 VanDerWaalsContact O-CG2 3.29Å; L272-V276 WeakPolarHBondContact O-CG2 3.34Å; L272-V276 PolarHBondContact O-N 3.02Å; F273-V276 PolarHBondContact O-N 2.78Å; V276-K278 PolarHBondContact O-N 3.18Å; V276-F279 PolarHBondContact O-N 3.08Å; V276-R280 VanDerWaalsContact O-CB 3.31Å; V276-R280 WeakPolarHBondContact O-CB 3.07Å; V276-R280 PolarHBondContact O-N 2.88Å; V276-F418 HydrophobicContact CG1-CE1 4.43Å; V276-F418 HydrophobicContact CG1-CE2 4.46Å; V276-F418 HydrophobicContact CG1-CZ 3.85Å; V276-F418 HydrophobicContact CG2-CE2 4.22Å; V276-F418 HydrophobicContact CG2-CZ 4.4Å; V276-F421 HydrophobicContact CG2-CB 4.23Å; V276-L422 HydrophobicContact CG1-CD2 3.58Å; V276-L422 HydrophobicContact CG1-CG 4.39Å
277R90.7Very high89.2Confident109 Ų10963 Ų6341%0.41131%0.309SS..Hα-helixtrans-61.3-46.1178.6-158.7-176.4-50.5116.43.1112.3F273 E274 A281 E427F273-R277 WeakPolarHBondContact O-CB 3.32Å; F273-R277 PolarHBondContact O-N 3.31Å; E274-R277 PolarHBondContact O-N 3.33Å; E274-R277 IonicContact OE2-CZ 3.05Å; E274-R277 IonicContact OE2-NH1 3Å; E274-R277 PolarHBondContact OE2-NH1 2.76Å; R277-A281 PolarHBondContact O-N 3.3Å; R277-E427 IonicContact CZ-OE2 3.91Å; R277-E427 IonicContact NH2-OE1 2.65Å; R277-E427 PolarHBondContact NH2-OE1 2.65Å; R277-E427 IonicContact NH2-OE2 2.76Å; R277-E427 PolarHBondContact NH2-OE2 2.89Å
278K90.6Very high89.5Confident133 Ų13361.6 Ų61.658%0.57830%0.301SS*.Hα-helixtrans-64.7-43.1176.5-77.4177.2174.7154.90112.5E274 K275 V276 A281 H282E274-K278 HydrophobicContact CG-CD 4.45Å; E274-K278 WeakPolarHBondContact O-CG 3.14Å; E274-K278 PolarHBondContact O-N 3.13Å; E274-K278 WeakPolarHBondContact OE1-CE 3.36Å; E274-K278 IonicContact OE1-NZ 2.63Å; E274-K278 PolarHBondContact OE1-NZ 2.95Å; K275-K278 PolarHBondContact O-N 2.98Å; V276-K278 PolarHBondContact O-N 3.18Å; K278-A281 PolarHBondContact O-N 2.85Å; K278-H282 PolarHBondContact O-N 3.48Å; K278-H282 VanDerWaalsContact O-N 3.17Å
279F90.5Very high89.6Confident8 Ų856.7 Ų56.74%0.03528%0.278CS..Hα-helixtrans-66.4-42.1179.6177.5-106.4000111.9H180 F181 I184 K275 V276 A281 H282 V283 F400H180-F279 HydrophobicContact CB-CD2 4.38Å; H180-F279 HydrophobicContact CB-CE2 3.96Å; H180-F279 AromaticContact CD2-CD2 3.12Å; H180-F279 WeakPolarHBondContact CD2-CD2 3.4Å; H180-F279 AromaticContact CD2-CE2 3.59Å; H180-F279 AromaticContact CD2-CG 3.8Å; H180-F279 AromaticContact NE2-CD2 3.93Å; F181-F279 HydrophobicContact CB-CE1 4.07Å; F181-F279 HydrophobicContact CB-CZ 3.64Å; F181-F279 AromaticContact CD2-CE1 3.72Å; F181-F279 HydrophobicContact CD2-CE1 3.72Å; F181-F279 HydrophobicContact CD2-CZ 4.16Å; F181-F279 HydrophobicContact CG-CE1 4.37Å; F181-F279 HydrophobicContact CG-CZ 4.37Å; I184-F279 HydrophobicContact CD1-CB 3.46Å; I184-F279 VanDerWaalsContact CD1-CB 3.46Å; I184-F279 HydrophobicContact CD1-CD1 3.94Å; I184-F279 HydrophobicContact CD1-CD2 4.17Å; I184-F279 HydrophobicContact CD1-CG 3.57Å; K275-F279 WeakPolarHBondContact O-CB 3.34Å; K275-F279 PolarHBondContact O-N 2.92Å; V276-F279 PolarHBondContact O-N 3.08Å; F279-A281 PolarHBondContact O-N 2.82Å; F279-H282 PolarHBondContact O-N 3.17Å; F279-H282 VanDerWaalsContact O-N 3.13Å; F279-V283 HydrophobicContact CD2-CG2 3.81Å; F279-V283 HydrophobicContact CE1-CB 4.42Å; F279-V283 HydrophobicContact CE1-CG2 3.99Å; F279-V283 HydrophobicContact CE2-CB 4.46Å; F279-V283 HydrophobicContact CE2-CG2 3.27Å; F279-V283 HydrophobicContact CG-CG2 4.44Å; F279-V283 HydrophobicContact CZ-CB 4.19Å; F279-V283 HydrophobicContact CZ-CG1 4.49Å; F279-V283 HydrophobicContact CZ-CG2 3.35Å; F279-V283 PolarHBondContact O-N 3.49Å; F279-F400 HydrophobicContact CD1-CD2 4.17Å; F279-F400 AromaticContact CD1-CE2 3.71Å; F279-F400 HydrophobicContact CD1-CE2 3.71Å; F279-F400 AromaticContact CE1-CD2 3.73Å; F279-F400 HydrophobicContact CE1-CD2 3.73Å; F279-F400 AromaticContact CE1-CE2 3.58Å; F279-F400 HydrophobicContact CE1-CE2 3.58Å
280R90.4Very high89.8Confident59 Ų5958.3 Ų58.322%0.22329%0.285CS..Hα-helixtrans-53.1-54.6173.7178.1-175.3174.4179.88.4110.7V276 H282 V283 E284 D395V276-R280 VanDerWaalsContact O-CB 3.31Å; V276-R280 WeakPolarHBondContact O-CB 3.07Å; V276-R280 PolarHBondContact O-N 2.88Å; R280-H282 PolarHBondContact O-N 3.07Å; R280-V283 PolarHBondContact O-N 3.06Å; R280-E284 VanDerWaalsContact CG-OE2 3.28Å; R280-E284 WeakPolarHBondContact CG-OE2 3.49Å; R280-E284 IonicContact CZ-OE2 3.81Å; R280-E284 IonicContact NE-OE1 3.58Å; R280-E284 IonicContact NE-OE2 3.05Å; R280-E284 PolarHBondContact NE-OE2 3.21Å; R280-E284 IonicContact NH2-OE1 3.17Å; R280-E284 IonicContact NH2-OE2 3.63Å; R280-E284 WeakPolarHBondContact O-CB 3.24Å; R280-E284 PolarHBondContact O-N 3.27Å; R280-D395 PolarHBondContact NH2-O 3.35Å
281A87.9Confident89.9Confident63 Ų6359.1 Ų59.152%0.52128%0.284SS..Hα-helixtrans-57.5-35.1179.200000112.8R277 K278 F279R277-A281 PolarHBondContact O-N 3.3Å; K278-A281 PolarHBondContact O-N 2.85Å; F279-A281 PolarHBondContact O-N 2.82Å
282H87Confident89.9Confident124 Ų12458 Ų5857%0.57427%0.271SS*.Hα-helixtrans-75.9-31.2-180-175.967.8000114.4K278 F279 R280K278-H282 PolarHBondContact O-N 3.48Å; K278-H282 VanDerWaalsContact O-N 3.17Å; F279-H282 PolarHBondContact O-N 3.17Å; F279-H282 VanDerWaalsContact O-N 3.13Å; R280-H282 PolarHBondContact O-N 3.07Å
283V87.3Confident89.9Confident0 Ų057.3 Ų57.30%027%0.268CS..Hα-helixtrans-99-30.6-173.6178.80000112.9K177 F279 R280 D285 S286 D399 F400K177-V283 HydrophobicContact CD-CG2 4.41Å; F279-V283 HydrophobicContact CD2-CG2 3.81Å; F279-V283 HydrophobicContact CE1-CB 4.42Å; F279-V283 HydrophobicContact CE1-CG2 3.99Å; F279-V283 HydrophobicContact CE2-CB 4.46Å; F279-V283 HydrophobicContact CE2-CG2 3.27Å; F279-V283 HydrophobicContact CG-CG2 4.44Å; F279-V283 HydrophobicContact CZ-CB 4.19Å; F279-V283 HydrophobicContact CZ-CG1 4.49Å; F279-V283 HydrophobicContact CZ-CG2 3.35Å; F279-V283 PolarHBondContact O-N 3.49Å; R280-V283 PolarHBondContact O-N 3.06Å; V283-D285 PolarHBondContact O-N 2.69Å; V283-S286 PolarHBondContact O-N 3.28Å; V283-S286 VanDerWaalsContact O-N 3.13Å; V283-D399 HydrophobicContact CG1-CB 3.84Å; V283-F400 HydrophobicContact CB-CD2 4.39Å; V283-F400 HydrophobicContact CG1-CB 3.99Å; V283-F400 HydrophobicContact CG1-CD2 4.35Å
284E87.9Confident89.9Confident34 Ų3458.2 Ų58.216%0.15927%0.273CS..Hα-helixtrans-64-24.6-177.4-164.9160.5-156.300112.8R280 S286 K397 N398R280-E284 VanDerWaalsContact CG-OE2 3.28Å; R280-E284 WeakPolarHBondContact CG-OE2 3.49Å; R280-E284 IonicContact CZ-OE2 3.81Å; R280-E284 IonicContact NE-OE1 3.58Å; R280-E284 IonicContact NE-OE2 3.05Å; R280-E284 PolarHBondContact NE-OE2 3.21Å; R280-E284 IonicContact NH2-OE1 3.17Å; R280-E284 IonicContact NH2-OE2 3.63Å; R280-E284 WeakPolarHBondContact O-CB 3.24Å; R280-E284 PolarHBondContact O-N 3.27Å; E284-S286 VanDerWaalsContact C-N 3.3Å; E284-S286 PolarHBondContact O-N 3.11Å; E284-K397 HydrophobicContact CG-CB 4.18Å; E284-K397 PolarHBondContact OE1-N 2.77Å; E284-K397 VanDerWaalsContact OE1-N 3.11Å; E284-N398 WeakPolarHBondContact O-CB 3.31Å; E284-N398 PolarHBondContact O-ND2 3.02Å
285D83.4Confident89.9Confident148 Ų14857 Ų5779%0.79128%0.276SS*.THydrogen-bonded Turntrans-78.2-7.4177.4-70.1-16000114.5V283V283-D285 PolarHBondContact O-N 2.69Å
286S85.7Confident89.9Confident21 Ų2151.9 Ų51.915%0.14725%0.254CS..  trans-116.6140.9-172.7171.10000111.5K177 V283 E284 F288 N398 D399K177-S286 PolarHBondContact NZ-OG 3.06Å; V283-S286 PolarHBondContact O-N 3.28Å; V283-S286 VanDerWaalsContact O-N 3.13Å; E284-S286 VanDerWaalsContact C-N 3.3Å; E284-S286 PolarHBondContact O-N 3.11Å; S286-F288 PolarHBondContact OG-N 3.08Å; S286-N398 WeakPolarHBondContact O-CB 3.37Å; S286-D399 VanDerWaalsContact C-CG 3.45Å; S286-D399 WeakPolarHBondContact CB-OD2 3.49Å; S286-D399 WeakPolarHBondContact O-CB 3.37Å; S286-D399 PolarHBondContact O-N 3.43Å; S286-D399 VanDerWaalsContact O-OD2 3.06Å; S286-D399 PolarHBondContact OG-OD2 3Å
287D89.1Confident89.8Confident33 Ų3352 Ų5218%0.17625%0.254CS..  trans-122.520.6171.575.4-24.9000112.5R291 K377 N398 D399D287-R291 VanDerWaalsContact CG-NE 3.32Å; D287-R291 WeakPolarHBondContact O-CB 3.31Å; D287-R291 WeakPolarHBondContact O-CG 3.26Å; D287-R291 PolarHBondContact O-N 3.32Å; D287-R291 IonicContact OD1-CZ 3.7Å; D287-R291 IonicContact OD1-NE 2.67Å; D287-R291 PolarHBondContact OD1-NE 2.99Å; D287-R291 IonicContact OD1-NH2 3.37Å; D287-R291 PolarHBondContact OD1-NH2 2.82Å; D287-R291 IonicContact OD2-CZ 2.89Å; D287-R291 IonicContact OD2-NE 3.58Å; D287-R291 PolarHBondContact OD2-NE 2.92Å; D287-K377 IonicContact OD2-NZ 3.85Å; D287-K377 PolarHBondContact OD2-NZ 3.08Å; D287-N398 HydrophobicContact CB-CB 4.29Å; D287-D399 VanDerWaalsContact CA-CG 3.44Å; D287-D399 WeakPolarHBondContact CA-OD1 3.36Å; D287-D399 PolarHBondContact N-OD2 2.89Å
288F91Very high89.8Confident70 Ų7048.7 Ų48.731%0.30725%0.248SC..Hα-helixtrans-71-37.6-174.4-173.6-101.1000112.7Y171 K173 T174 S286 R291 L292 D399Y171-F288 AromaticContact CD1-CE1 3.92Å; Y171-F288 HydrophobicContact CD1-CE1 3.92Å; Y171-F288 HydrophobicContact CD1-CZ 4.41Å; Y171-F288 AromaticContact CE1-CE1 3.6Å; Y171-F288 HydrophobicContact CE1-CE1 3.6Å; Y171-F288 AromaticContact CE1-CZ 3.74Å; Y171-F288 HydrophobicContact CE1-CZ 3.74Å; K173-F288 HydrophobicContact CB-CE1 4.29Å; T174-F288 HydrophobicContact CG2-CD1 3.58Å; T174-F288 HydrophobicContact CG2-CE1 3.7Å; S286-F288 PolarHBondContact OG-N 3.08Å; F288-R291 PolarHBondContact O-N 2.86Å; F288-L292 HydrophobicContact CE1-CD2 4.49Å; F288-L292 WeakPolarHBondContact O-CB 3.49Å; F288-L292 PolarHBondContact O-N 2.84Å; F288-D399 PolarHBondContact N-OD1 2.91Å; F288-D399 PolarHBondContact N-OD2 2.84Å
289I91.8Very high89.9Confident1 Ų146 Ų461%0.00524%0.243CC..Hα-helixtrans-64.6-47.9178.3-58.3175.8000109.4W168 T174 K177 I178 L292 Y293 D399 F402 L403W168-I289 HydrophobicContact CE3-CG2 3.8Å; W168-I289 HydrophobicContact CZ3-CG2 3.78Å; T174-I289 HydrophobicContact CG2-CG1 3.92Å; K177-I289 HydrophobicContact CB-CD1 3.93Å; K177-I289 HydrophobicContact CD-CD1 4.27Å; I178-I289 HydrophobicContact CG1-CD1 4.23Å; I289-L292 PolarHBondContact O-N 3.38Å; I289-Y293 PolarHBondContact O-N 2.89Å; I289-D399 WeakPolarHBondContact CA-OD1 3.29Å; I289-D399 HydrophobicContact CB-CB 4.31Å; I289-D399 WeakPolarHBondContact CB-OD1 3.41Å; I289-D399 HydrophobicContact CD1-CB 4.21Å; I289-D399 HydrophobicContact CG1-CB 4.39Å; I289-D399 PolarHBondContact N-OD1 2.8Å; I289-D399 PolarHBondContact N-OD2 2.87Å; I289-F402 HydrophobicContact CG2-CD1 3.99Å; I289-F402 HydrophobicContact CG2-CE1 3.96Å; I289-L403 HydrophobicContact CD1-CD1 4Å; I289-L403 HydrophobicContact CD1-CG 4.46Å; I289-L403 HydrophobicContact CG2-CD2 4.33Å
290Y91.8Very high89.9Confident34 Ų3445.9 Ų45.913%0.13324%0.242CC..Hα-helixtrans-57.4-51.4175.7170.6-100.6000111.2L292 Y293 V294 V371 L376 K377 D399 F402Y290-L292 VanDerWaalsContact C-N 3.28Å; Y290-L292 PolarHBondContact O-N 2.8Å; Y290-Y293 PolarHBondContact O-N 3.37Å; Y290-Y293 VanDerWaalsContact O-N 3.13Å; Y290-V294 HydrophobicContact CD1-CG2 4.24Å; Y290-V294 HydrophobicContact CD2-CG2 4.11Å; Y290-V294 HydrophobicContact CE1-CG2 3.81Å; Y290-V294 HydrophobicContact CE2-CG2 3.67Å; Y290-V294 HydrophobicContact CG-CG2 4.39Å; Y290-V294 VanDerWaalsContact O-CG2 3.28Å; Y290-V294 WeakPolarHBondContact O-CG2 3.49Å; Y290-V294 PolarHBondContact O-N 2.88Å; Y290-V371 HydrophobicContact CE2-CG1 4.24Å; Y290-L376 HydrophobicContact CD2-CB 4.34Å; Y290-L376 HydrophobicContact CE2-CB 3.98Å; Y290-L376 HydrophobicContact CE2-CD1 4.26Å; Y290-K377 VanDerWaalsContact CD1-CE 3.45Å; Y290-K377 HydrophobicContact CD1-CG 4.29Å; Y290-K377 HydrophobicContact CE1-CD 4.42Å; Y290-K377 VanDerWaalsContact CE1-CE 3.43Å; Y290-K377 HydrophobicContact CE1-CG 4.28Å; Y290-D399 PolarHBondContact N-OD1 3.44Å; Y290-F402 HydrophobicContact CD2-CB 4.44Å; Y290-F402 AromaticContact CD2-CD2 3.71Å; Y290-F402 HydrophobicContact CD2-CD2 3.71Å; Y290-F402 HydrophobicContact CD2-CE2 4.19Å; Y290-F402 HydrophobicContact CD2-CG 4.09Å
291R90.8Very high89.9Confident141 Ų14143.5 Ų43.553%0.53223%0.234SC..Hα-helixtrans-57.8-41179.3-77.9-170.4-81.3170.8-7.5112.3D287 F288 V294 A295D287-R291 VanDerWaalsContact CG-NE 3.32Å; D287-R291 WeakPolarHBondContact O-CB 3.31Å; D287-R291 WeakPolarHBondContact O-CG 3.26Å; D287-R291 PolarHBondContact O-N 3.32Å; D287-R291 IonicContact OD1-CZ 3.7Å; D287-R291 IonicContact OD1-NE 2.67Å; D287-R291 PolarHBondContact OD1-NE 2.99Å; D287-R291 IonicContact OD1-NH2 3.37Å; D287-R291 PolarHBondContact OD1-NH2 2.82Å; D287-R291 IonicContact OD2-CZ 2.89Å; D287-R291 IonicContact OD2-NE 3.58Å; D287-R291 PolarHBondContact OD2-NE 2.92Å; F288-R291 PolarHBondContact O-N 2.86Å; R291-V294 PolarHBondContact O-N 3.05Å; R291-A295 VanDerWaalsContact O-CB 3.3Å; R291-A295 WeakPolarHBondContact O-CB 3.49Å; R291-A295 PolarHBondContact O-N 2.64Å
292L91.8Very high90.1Very high27 Ų2744.4 Ų44.414%0.14123%0.233CC..Hα-helixtrans-66.9-40.4177.8-172.361.6000111.9F167 W168 Y171 T174 F288 I289 Y290 A295 Q296F167-L292 HydrophobicContact CD1-CD1 3.9Å; F167-L292 HydrophobicContact CD1-CD2 4.1Å; F167-L292 HydrophobicContact CD1-CG 4.34Å; F167-L292 HydrophobicContact CE1-CD1 3.81Å; F167-L292 HydrophobicContact CE1-CD2 4.18Å; W168-L292 HydrophobicContact CB-CD2 3.76Å; W168-L292 HydrophobicContact CB-CG 4.11Å; Y171-L292 HydrophobicContact CD1-CD2 4.46Å; T174-L292 HydrophobicContact CG2-CD2 3.75Å; F288-L292 HydrophobicContact CE1-CD2 4.49Å; F288-L292 WeakPolarHBondContact O-CB 3.49Å; F288-L292 PolarHBondContact O-N 2.84Å; I289-L292 PolarHBondContact O-N 3.38Å; Y290-L292 VanDerWaalsContact C-N 3.28Å; Y290-L292 PolarHBondContact O-N 2.8Å; L292-A295 PolarHBondContact O-N 2.82Å; L292-Q296 WeakPolarHBondContact O-CG 3.41Å; L292-Q296 PolarHBondContact O-N 3.45Å
293Y91.8Very high90.2Very high0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-64.6-42.5176-168-88.9000112W24 D25 W168 I289 Y290 Q296 T297 V371 F402 M406W24-Y293 PolarHBondContact NE1-OH 2.67Å; W24-Y293 VanDerWaalsContact NE1-OH 3.16Å; D25-Y293 PolarHBondContact OD2-OH 3.23Å; W168-Y293 HydrophobicContact CD2-CD2 4.26Å; W168-Y293 HydrophobicContact CZ2-CD2 4.23Å; W168-Y293 HydrophobicContact CZ2-CE2 4.29Å; I289-Y293 PolarHBondContact O-N 2.89Å; Y290-Y293 PolarHBondContact O-N 3.37Å; Y290-Y293 VanDerWaalsContact O-N 3.13Å; Y293-Q296 WeakPolarHBondContact O-CG 3.31Å; Y293-T297 WeakPolarHBondContact O-CB 3.28Å; Y293-T297 PolarHBondContact O-N 3.42Å; Y293-T297 VanDerWaalsContact O-N 3.14Å; Y293-T297 PolarHBondContact O-OG1 2.84Å; Y293-V371 HydrophobicContact CD1-CG2 4.12Å; Y293-V371 HydrophobicContact CE1-CG2 3.92Å; Y293-F402 HydrophobicContact CD1-CE2 4.18Å; Y293-F402 AromaticContact CD1-CZ 3.77Å; Y293-F402 HydrophobicContact CD1-CZ 3.77Å; Y293-F402 AromaticContact CD2-CZ 3.93Å; Y293-F402 HydrophobicContact CD2-CZ 3.93Å; Y293-F402 HydrophobicContact CE1-CZ 4.42Å; Y293-F402 HydrophobicContact CG-CE1 4.26Å; Y293-F402 HydrophobicContact CG-CE2 4.34Å; Y293-F402 AromaticContact CG-CZ 3.5Å; Y293-F402 HydrophobicContact CG-CZ 3.5Å; Y293-M406 HydrophobicContact CD2-CE 4.48Å; Y293-M406 HydrophobicContact CE2-CE 3.76Å
294V92Very high90.4Very high22 Ų2242.7 Ų42.713%0.13322%0.224CC..Hα-helixtrans-63.3-44.1174.9-1790000110.9Y290 R291 T297 S298 V371 F372Y290-V294 HydrophobicContact CD1-CG2 4.24Å; Y290-V294 HydrophobicContact CD2-CG2 4.11Å; Y290-V294 HydrophobicContact CE1-CG2 3.81Å; Y290-V294 HydrophobicContact CE2-CG2 3.67Å; Y290-V294 HydrophobicContact CG-CG2 4.39Å; Y290-V294 VanDerWaalsContact O-CG2 3.28Å; Y290-V294 WeakPolarHBondContact O-CG2 3.49Å; Y290-V294 PolarHBondContact O-N 2.88Å; R291-V294 PolarHBondContact O-N 3.05Å; V294-T297 PolarHBondContact O-N 2.77Å; V294-S298 WeakPolarHBondContact O-CB 3.45Å; V294-S298 PolarHBondContact O-N 2.68Å; V294-S298 PolarHBondContact O-OG 2.96Å; V294-V371 HydrophobicContact CB-CG1 4.47Å; V294-V371 HydrophobicContact CG1-CG1 4.48Å; V294-V371 HydrophobicContact CG2-CG1 3.54Å; V294-F372 HydrophobicContact CG1-CZ 4.04Å
295A91.8Very high90.6Very high48 Ų4845.6 Ų45.640%0.39724%0.24SC..Hα-helixtrans-62.4-47.6179.700000112R291 L292 T297 S298 V299R291-A295 VanDerWaalsContact O-CB 3.3Å; R291-A295 WeakPolarHBondContact O-CB 3.49Å; R291-A295 PolarHBondContact O-N 2.64Å; L292-A295 PolarHBondContact O-N 2.82Å; A295-T297 PolarHBondContact O-N 3.01Å; A295-S298 PolarHBondContact O-N 2.92Å; A295-V299 VanDerWaalsContact O-CG2 3.3Å; A295-V299 WeakPolarHBondContact O-CG2 3.32Å; A295-V299 PolarHBondContact O-N 3.38Å
296Q91.6Very high90.9Very high14 Ų1442.9 Ų42.97%0.06523%0.225CC..Hα-helixtrans-62.9-41.8178.969.2-177.2-0.300111.8S164 W168 L292 Y293 S298 V299 K300S164-Q296 PolarHBondContact O-OE1 3.15Å; W168-Q296 VanDerWaalsContact CD1-OE1 3.22Å; L292-Q296 WeakPolarHBondContact O-CG 3.41Å; L292-Q296 PolarHBondContact O-N 3.45Å; Y293-Q296 WeakPolarHBondContact O-CG 3.31Å; Q296-S298 VanDerWaalsContact C-N 3.33Å; Q296-S298 PolarHBondContact O-N 3.25Å; Q296-V299 PolarHBondContact O-N 3.31Å; Q296-K300 VanDerWaalsContact O-CG 3.31Å; Q296-K300 WeakPolarHBondContact O-CG 3.49Å; Q296-K300 PolarHBondContact O-N 3.15Å
297T91.2Very high91.2Very high2 Ų242 Ų421%0.01222%0.218CC..Hα-helixtrans-67.4-37.5-180-58.10000111.1Y293 V294 A295 K300 T301 S367 L368Y293-T297 WeakPolarHBondContact O-CB 3.28Å; Y293-T297 PolarHBondContact O-N 3.42Å; Y293-T297 VanDerWaalsContact O-N 3.14Å; Y293-T297 PolarHBondContact O-OG1 2.84Å; V294-T297 PolarHBondContact O-N 2.77Å; A295-T297 PolarHBondContact O-N 3.01Å; T297-K300 PolarHBondContact O-N 3.28Å; T297-T301 WeakPolarHBondContact O-CB 3.3Å; T297-T301 PolarHBondContact O-N 3.4Å; T297-T301 PolarHBondContact O-OG1 3.34Å; T297-S367 VanDerWaalsContact CG2-OG 3.25Å; T297-S367 WeakPolarHBondContact CG2-OG 3.29Å; T297-L368 HydrophobicContact CG2-CB 4.12Å; T297-L368 HydrophobicContact CG2-CD1 3.98Å
298S91.1Very high91.2Very high40 Ų4043 Ų4328%0.2822%0.223SC..Hα-helixtrans-64.2-46.6173.7-57.10000111.4V294 A295 Q296 K300 T301 V302V294-S298 WeakPolarHBondContact O-CB 3.45Å; V294-S298 PolarHBondContact O-N 2.68Å; V294-S298 PolarHBondContact O-OG 2.96Å; A295-S298 PolarHBondContact O-N 2.92Å; Q296-S298 VanDerWaalsContact C-N 3.33Å; Q296-S298 PolarHBondContact O-N 3.25Å; S298-K300 PolarHBondContact O-N 2.78Å; S298-T301 PolarHBondContact O-N 3.28Å; S298-V302 WeakPolarHBondContact O-CG2 3.41Å; S298-V302 PolarHBondContact O-N 3.38Å
299V91.2Very high91Very high77 Ų7742.8 Ų42.847%0.46723%0.231SC..Hα-helixtrans-60.9-43.2177.3169.60000111.5A295 Q296 T301 V302 K303A295-V299 VanDerWaalsContact O-CG2 3.3Å; A295-V299 WeakPolarHBondContact O-CG2 3.32Å; A295-V299 PolarHBondContact O-N 3.38Å; Q296-V299 PolarHBondContact O-N 3.31Å; V299-T301 VanDerWaalsContact C-N 3.35Å; V299-T301 PolarHBondContact O-N 3.36Å; V299-V302 PolarHBondContact O-N 3.22Å; V299-K303 HydrophobicContact CG1-CG 4.44Å; V299-K303 WeakPolarHBondContact O-CB 3.24Å; V299-K303 WeakPolarHBondContact O-CG 3.32Å; V299-K303 PolarHBondContact O-N 3.27Å
300K90.8Very high90.7Very high5 Ų545 Ų452%0.02224%0.24CC..Hα-helixtrans-60.3-44.4175.3-71.1176.1-164.2-179.60111.8L161 S164 S165 Q296 T297 S298 K303 F304L161-K300 HydrophobicContact CD2-CG 4.43Å; S164-K300 WeakPolarHBondContact OG-CG 3.47Å; S165-K300 VanDerWaalsContact CA-CE 3.44Å; S165-K300 WeakPolarHBondContact OG-CE 3.38Å; S165-K300 PolarHBondContact OG-NZ 3.39Å; Q296-K300 VanDerWaalsContact O-CG 3.31Å; Q296-K300 WeakPolarHBondContact O-CG 3.49Å; Q296-K300 PolarHBondContact O-N 3.15Å; T297-K300 PolarHBondContact O-N 3.28Å; S298-K300 PolarHBondContact O-N 2.78Å; K300-K303 PolarHBondContact O-N 3.08Å; K300-F304 WeakPolarHBondContact O-CB 3.2Å; K300-F304 PolarHBondContact O-N 3.17Å
301T90.9Very high90.4Very high9 Ų943.4 Ų43.46%0.05523%0.233CC..Hα-helixtrans-63.8-43.8179.6-570000111.3T297 S298 V299 F304 I305 L365 L368T297-T301 WeakPolarHBondContact O-CB 3.3Å; T297-T301 PolarHBondContact O-N 3.4Å; T297-T301 PolarHBondContact O-OG1 3.34Å; S298-T301 PolarHBondContact O-N 3.28Å; V299-T301 VanDerWaalsContact C-N 3.35Å; V299-T301 PolarHBondContact O-N 3.36Å; T301-F304 WeakPolarHBondContact O-CB 3.29Å; T301-F304 PolarHBondContact O-N 3.1Å; T301-I305 HydrophobicContact CG2-CD1 4.3Å; T301-I305 WeakPolarHBondContact O-CG1 3.46Å; T301-I305 PolarHBondContact O-N 3.34Å; T301-L365 HydrophobicContact CG2-CD2 3.77Å; T301-L365 HydrophobicContact CG2-CG 4.47Å; T301-L368 HydrophobicContact CG2-CD2 4.16Å
302V91.9Very high89.8Confident83 Ų8340.6 Ų40.650%0.50324%0.235SC..Hα-helixtrans-62.3-44174.6172.30000111S298 V299 F304 I305 L306S298-V302 WeakPolarHBondContact O-CG2 3.41Å; S298-V302 PolarHBondContact O-N 3.38Å; V299-V302 PolarHBondContact O-N 3.22Å; V302-F304 VanDerWaalsContact C-N 3.35Å; V302-F304 PolarHBondContact O-N 3.23Å; V302-I305 PolarHBondContact O-N 3.05Å; V302-L306 HydrophobicContact CG1-CD1 4.05Å; V302-L306 HydrophobicContact CG1-CG 4.44Å; V302-L306 WeakPolarHBondContact O-CG 3.48Å; V302-L306 PolarHBondContact O-N 2.95Å
303K90.4Very high89.2Confident71 Ų7144.1 Ų44.131%0.30926%0.258SS..Hα-helixtrans-61.7-41.5176.3-75.8-69.1-177.3-176.70112.1L161 V299 K300 L306 I307L161-K303 HydrophobicContact CD2-CB 4.28Å; V299-K303 HydrophobicContact CG1-CG 4.44Å; V299-K303 WeakPolarHBondContact O-CB 3.24Å; V299-K303 WeakPolarHBondContact O-CG 3.32Å; V299-K303 PolarHBondContact O-N 3.27Å; K300-K303 PolarHBondContact O-N 3.08Å; K303-L306 PolarHBondContact O-N 2.61Å; K303-I307 WeakPolarHBondContact O-CB 3.23Å; K303-I307 WeakPolarHBondContact O-CD1 3.36Å; K303-I307 WeakPolarHBondContact O-CG1 3.41Å; K303-I307 PolarHBondContact O-N 3.09Å
304F91.2Very high88.3Confident16 Ų1645.1 Ų45.17%0.0726%0.263CS..Hα-helixtrans-57.1-50173.3155.9-107.5000111.8K300 T301 V302 L306 I307 L308 I357 G361 L365K300-F304 WeakPolarHBondContact O-CB 3.2Å; K300-F304 PolarHBondContact O-N 3.17Å; T301-F304 WeakPolarHBondContact O-CB 3.29Å; T301-F304 PolarHBondContact O-N 3.1Å; V302-F304 VanDerWaalsContact C-N 3.35Å; V302-F304 PolarHBondContact O-N 3.23Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 3.17Å; F304-I307 PolarHBondContact O-N 3.35Å; F304-L308 HydrophobicContact CE2-CB 4.34Å; F304-L308 HydrophobicContact CE2-CD2 4.11Å; F304-L308 HydrophobicContact CZ-CD2 3.85Å; F304-L308 WeakPolarHBondContact O-CB 3.23Å; F304-L308 PolarHBondContact O-N 3.48Å; F304-I357 HydrophobicContact CD2-CG2 3.73Å; F304-I357 WeakPolarHBondContact CD2-O 3.4Å; F304-I357 HydrophobicContact CE2-CG2 3.92Å; F304-I357 VanDerWaalsContact CE2-O 3.26Å; F304-I357 WeakPolarHBondContact CE2-O 3.33Å; F304-G361 VanDerWaalsContact CD2-CA 3.42Å; F304-L365 HydrophobicContact CE1-CD1 4.37Å
305I90.6Very high87.1Confident96 Ų9646.8 Ų46.849%0.49227%0.273SS..Hα-helixtrans-60.7-44.4179.8-66.4166.4000110.7T301 V302 L308 S309T301-I305 HydrophobicContact CG2-CD1 4.3Å; T301-I305 WeakPolarHBondContact O-CG1 3.46Å; T301-I305 PolarHBondContact O-N 3.34Å; V302-I305 PolarHBondContact O-N 3.05Å; I305-L308 PolarHBondContact O-N 2.88Å; I305-S309 WeakPolarHBondContact O-CB 3.37Å; I305-S309 PolarHBondContact O-N 3.29Å; I305-S309 PolarHBondContact O-OG 2.78Å
306L91.1Very high86Confident90 Ų9054.8 Ų54.847%0.47129%0.293SS..Hα-helixtrans-60.4-47.8175.9-70.6172.4000111.2V302 K303 F304 L308 S309 Y310V302-L306 HydrophobicContact CG1-CD1 4.05Å; V302-L306 HydrophobicContact CG1-CG 4.44Å; V302-L306 WeakPolarHBondContact O-CG 3.48Å; V302-L306 PolarHBondContact O-N 2.95Å; K303-L306 PolarHBondContact O-N 2.61Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 3.17Å; L306-L308 PolarHBondContact O-N 2.94Å; L306-S309 PolarHBondContact O-N 2.58Å; L306-S309 PolarHBondContact O-OG 3.23Å; L306-Y310 WeakPolarHBondContact O-CD1 3.47Å; L306-Y310 PolarHBondContact O-N 2.95Å; L306-Y310 VanDerWaalsContact O-N 3.15Å
307I90.8Very high85.3Confident2 Ų255 Ų551%0.0130%0.295CS..Hα-helixtrans-59.6-48.4179.2-66.5161.7000111.1H157 L161 K303 F304 S309 Y310 T311 Y353 I357H157-I307 HydrophobicContact CB-CD1 3.8Å; H157-I307 HydrophobicContact CB-CG1 4.44Å; L161-I307 HydrophobicContact CD1-CD1 4.35Å; K303-I307 WeakPolarHBondContact O-CB 3.23Å; K303-I307 WeakPolarHBondContact O-CD1 3.36Å; K303-I307 WeakPolarHBondContact O-CG1 3.41Å; K303-I307 PolarHBondContact O-N 3.09Å; F304-I307 PolarHBondContact O-N 3.35Å; I307-S309 VanDerWaalsContact C-N 3.33Å; I307-S309 PolarHBondContact O-N 2.83Å; I307-Y310 VanDerWaalsContact CA-CE1 3.41Å; I307-Y310 HydrophobicContact CB-CE1 4.08Å; I307-Y310 HydrophobicContact CG1-CE1 3.97Å; I307-Y310 HydrophobicContact CG2-CE1 4.25Å; I307-T311 HydrophobicContact CG2-CG2 4.01Å; I307-T311 VanDerWaalsContact O-CB 3.3Å; I307-T311 WeakPolarHBondContact O-CB 3.35Å; I307-T311 VanDerWaalsContact O-CG2 3.27Å; I307-T311 WeakPolarHBondContact O-CG2 3.37Å; I307-T311 PolarHBondContact O-N 2.84Å; I307-T311 PolarHBondContact O-OG1 3.08Å; I307-Y353 HydrophobicContact CG2-CE1 4.06Å; I307-I357 HydrophobicContact CD1-CD1 4.35Å; I307-I357 HydrophobicContact CG2-CD1 4.08Å; I307-I357 HydrophobicContact CG2-CG1 4.16Å; I307-I357 HydrophobicContact CG2-CG2 4.1Å
308L89.4Confident84.7Confident54 Ų5460.7 Ų60.728%0.28332%0.321SS..Hα-helixtrans-62.6-40.9179.9-171.963.5000111.9F304 I305 L306 T311 S312 I354 I358F304-L308 HydrophobicContact CE2-CB 4.34Å; F304-L308 HydrophobicContact CE2-CD2 4.11Å; F304-L308 HydrophobicContact CZ-CD2 3.85Å; F304-L308 WeakPolarHBondContact O-CB 3.23Å; F304-L308 PolarHBondContact O-N 3.48Å; I305-L308 PolarHBondContact O-N 2.88Å; L306-L308 PolarHBondContact O-N 2.94Å; L308-T311 PolarHBondContact O-OG1 2.82Å; L308-S312 WeakPolarHBondContact O-CB 3.38Å; L308-S312 PolarHBondContact O-N 2.79Å; L308-I354 HydrophobicContact CD1-CG2 4.26Å; L308-I358 HydrophobicContact CD1-CD1 4.3Å; L308-I358 HydrophobicContact CD1-CG1 3.93Å
309S87.6Confident84.4Confident67 Ų6763.8 Ų63.847%0.46933%0.33SS..Hα-helixtrans-62.7-49.4-179.271.10000112.5I305 L306 I307I305-S309 WeakPolarHBondContact O-CB 3.37Å; I305-S309 PolarHBondContact O-N 3.29Å; I305-S309 PolarHBondContact O-OG 2.78Å; L306-S309 PolarHBondContact O-N 2.58Å; L306-S309 PolarHBondContact O-OG 3.23Å; I307-S309 VanDerWaalsContact C-N 3.33Å; I307-S309 PolarHBondContact O-N 2.83Å
310Y85.9Confident84.1Confident48 Ų4865.7 Ų65.719%0.18833%0.332CS..Hα-helixtrans-75.9-41.4-17984.6-106.7000110.7L153 H157 L306 I307 S312 T313 L314L153-Y310 HydrophobicContact CD2-CD2 4.42Å; L153-Y310 HydrophobicContact CD2-CE2 3.53Å; H157-Y310 AromaticContact CD2-CZ 3.93Å; H157-Y310 PolarHBondContact CD2-OH 2.8Å; H157-Y310 AromaticContact NE2-CE1 3.55Å; H157-Y310 AromaticContact NE2-CZ 3.58Å; H157-Y310 PolarHBondContact NE2-OH 2.97Å; H157-Y310 VanDerWaalsContact NE2-OH 3.08Å; L306-Y310 WeakPolarHBondContact O-CD1 3.47Å; L306-Y310 PolarHBondContact O-N 2.95Å; L306-Y310 VanDerWaalsContact O-N 3.15Å; I307-Y310 VanDerWaalsContact CA-CE1 3.41Å; I307-Y310 HydrophobicContact CB-CE1 4.08Å; I307-Y310 HydrophobicContact CG1-CE1 3.97Å; I307-Y310 HydrophobicContact CG2-CE1 4.25Å; Y310-S312 VanDerWaalsContact C-N 3.27Å; Y310-S312 PolarHBondContact O-N 2.87Å; Y310-T313 PolarHBondContact O-N 3.01Å; Y310-T313 PolarHBondContact O-OG1 2.82Å; Y310-L314 HydrophobicContact CD2-CD1 3.6Å; Y310-L314 HydrophobicContact CD2-CG 4.29Å; Y310-L314 HydrophobicContact CE2-CD1 3.86Å; Y310-L314 WeakPolarHBondContact O-CG 3.46Å; Y310-L314 PolarHBondContact O-N 3.24Å
311T84.4Confident83.9Confident0 Ų066.4 Ų66.40%034%0.335CS..Hα-helixtrans-63.8-32.2-179.353.10000112.6I307 L308 T313 L314 V315 Y353I307-T311 HydrophobicContact CG2-CG2 4.01Å; I307-T311 VanDerWaalsContact O-CB 3.3Å; I307-T311 WeakPolarHBondContact O-CB 3.35Å; I307-T311 VanDerWaalsContact O-CG2 3.27Å; I307-T311 WeakPolarHBondContact O-CG2 3.37Å; I307-T311 PolarHBondContact O-N 2.84Å; I307-T311 PolarHBondContact O-OG1 3.08Å; L308-T311 PolarHBondContact O-OG1 2.82Å; T311-T313 VanDerWaalsContact C-N 3.29Å; T311-T313 PolarHBondContact O-N 3Å; T311-L314 PolarHBondContact O-N 3.01Å; T311-L314 VanDerWaalsContact O-N 3.09Å; T311-V315 WeakPolarHBondContact O-CG2 3.35Å; T311-V315 PolarHBondContact O-N 3.35Å; T311-Y353 HydrophobicContact CG2-CE1 4.44Å
312S78.3Confident83.7Confident81 Ų8173.4 Ų73.457%0.56636%0.362SS*.Hα-helixtrans-61.1-37173.4-177.40000112.3L308 Y310 L314 V315L308-S312 WeakPolarHBondContact O-CB 3.38Å; L308-S312 PolarHBondContact O-N 2.79Å; Y310-S312 VanDerWaalsContact C-N 3.27Å; Y310-S312 PolarHBondContact O-N 2.87Å; S312-L314 VanDerWaalsContact C-N 3.33Å; S312-V315 WeakPolarHBondContact O-CG2 3.15Å
313T79.4Confident83.5Confident102 Ų10269.6 Ų69.663%0.62634%0.338SS*.Hα-helixtrans-73.3-24.8174.665.70000113.2Y310 T311Y310-T313 PolarHBondContact O-N 3.01Å; Y310-T313 PolarHBondContact O-OG1 2.82Å; T311-T313 VanDerWaalsContact C-N 3.29Å; T311-T313 PolarHBondContact O-N 3Å
314L72.7Confident83.3Confident20 Ų2071.8 Ų71.811%0.10535%0.35CS..THydrogen-bonded Turntrans-87.20.7-176.5-64.3-174.4000114.9W145 Y310 T311 S312 R316 L350W145-L314 HydrophobicContact CH2-CD1 3.77Å; W145-L314 HydrophobicContact CH2-CD2 4.15Å; W145-L314 HydrophobicContact CZ2-CD1 4.29Å; W145-L314 HydrophobicContact CZ2-CD2 3.78Å; W145-L314 HydrophobicContact CZ3-CD1 4.29Å; Y310-L314 HydrophobicContact CD2-CD1 3.6Å; Y310-L314 HydrophobicContact CD2-CG 4.29Å; Y310-L314 HydrophobicContact CE2-CD1 3.86Å; Y310-L314 WeakPolarHBondContact O-CG 3.46Å; Y310-L314 PolarHBondContact O-N 3.24Å; T311-L314 PolarHBondContact O-N 3.01Å; T311-L314 VanDerWaalsContact O-N 3.09Å; S312-L314 VanDerWaalsContact C-N 3.33Å; L314-R316 PolarHBondContact O-N 3.31Å; L314-L350 WeakPolarHBondContact O-CD2 3.44Å
315V67.8Low83Confident58 Ų5871.3 Ų71.335%0.35235%0.348SS..THydrogen-bonded Turntrans-62-17-179.1178.80000113.1T311 S312 I317 H347 I354T311-V315 WeakPolarHBondContact O-CG2 3.35Å; T311-V315 PolarHBondContact O-N 3.35Å; S312-V315 WeakPolarHBondContact O-CG2 3.15Å; V315-I317 VanDerWaalsContact C-N 3.33Å; V315-I317 PolarHBondContact O-N 3.43Å; V315-H347 PolarHBondContact O-CE1 3.36Å; V315-H347 VanDerWaalsContact O-CE1 3.26Å; V315-H347 PolarHBondContact O-ND1 3.1Å; V315-H347 VanDerWaalsContact O-ND1 3.15Å; V315-I354 HydrophobicContact CG2-CD1 3.81Å
316R67.9Low82.7Confident215 Ų21574.9 Ų74.981%0.81137%0.368SS*.  trans-82.368.9179.3-60.8-177-177.6-176.60.6112.2L314L314-R316 PolarHBondContact O-N 3.31Å
317I76.9Confident82.3Confident20 Ų2071.1 Ų71.110%0.10335%0.349CS..  trans-93113.6167.1-58.7174.9000107.5V315 A343 L346 L350V315-I317 VanDerWaalsContact C-N 3.33Å; V315-I317 PolarHBondContact O-N 3.43Å; I317-A343 HydrophobicContact CG2-CB 3.9Å; I317-L346 HydrophobicContact CD1-CB 4.08Å; I317-L350 HydrophobicContact CD1-CD2 4.03Å
318E79.1Confident81.9Confident120 Ų12076.1 Ų76.156%0.56137%0.372SS*.  trans-97.8150.4-178.5-66.4-176.3-179.600111.4H321 A343E318-H321 PolarHBondContact O-NE2 2.95Å; E318-A343 WeakPolarHBondContact O-CB 3.44Å
319F83.9Confident81.4Confident105 Ų10582.9 Ų82.946%0.46140%0.402SS..SBendtrans-80.4-22.7177.5177.9-104.3000112.8T339 H340 A343F319-T339 HydrophobicContact CE1-CG2 3.9Å; F319-T339 HydrophobicContact CZ-CG2 4.24Å; F319-T339 WeakPolarHBondContact O-CA 3.28Å; F319-H340 WeakPolarHBondContact CD2-O 3.36Å; F319-H340 WeakPolarHBondContact CE2-O 3.25Å; F319-H340 PolarHBondContact O-N 3.43Å; F319-A343 HydrophobicContact CB-CB 4.37Å; F319-A343 HydrophobicContact CD2-CB 4.42Å
320K84.5Confident81.1Confident117 Ų11785 Ų8551%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-121132.3-169.4-57.9176166.6-156.40109.2Y337K320-Y337 HydrophobicContact CB-CE2 4.08Å; K320-Y337 HydrophobicContact CD-CE2 4.32Å; K320-Y337 WeakPolarHBondContact CD-OH 3.34Å; K320-Y337 WeakPolarHBondContact CE-OH 3.48Å; K320-Y337 HydrophobicContact CG-CE2 4.38Å; K320-Y337 WeakPolarHBondContact CG-OH 3.35Å; K320-Y337 PolarHBondContact NZ-OH 3.16Å
321H87Confident80.9Confident21 Ų2183.3 Ų83.310%0.09740%0.402CS..EExtended strand (participates in β ladder)trans-134.3136.9178.2-63.7-64.1000110.4A142 E318 C338A142-H321 HydrophobicContact CB-CB 4.5Å; E318-H321 PolarHBondContact O-NE2 2.95Å; H321-C338 HydrophobicContact CB-CB 4.41Å; H321-C338 PolarHBondContact N-O 2.97Å; H321-C338 PolarHBondContact O-N 3.4Å
322Y86.1Confident80.7Confident156 Ų15686.1 Ų86.161%0.61243%0.431SS*.EExtended strand (participates in β ladder)trans-92.7132.2167.9-65.3-83.8000108.4Y337Y322-Y337 HydrophobicContact CD1-CD2 4.1Å; Y322-Y337 AromaticContact CE1-CD2 3.66Å; Y322-Y337 HydrophobicContact CE1-CD2 3.66Å; Y322-Y337 HydrophobicContact CE1-CE2 4.34Å; Y322-Y337 AromaticContact CZ-CD2 3.98Å
323C87.9Confident81Confident2 Ų284.7 Ų84.71%0.01441%0.414CS..EExtended strand (participates in β ladder)trans-122.8125.1-177.3178.10000108.7C138 A142 P325 F336C138-C323 WeakPolarHBondContact CA-SG 3.47Å; C138-C323 HydrophobicContact CB-CB 3.75Å; C138-C323 WeakPolarHBondContact CB-SG 3.49Å; C138-C323 WeakPolarHBondContact SG-CB 3.43Å; C138-C323 CovalentContact SG-SG 2.04Å; C138-C323 PolarHBondContact SG-SG 2.82Å; A142-C323 HydrophobicContact CB-CB 3.62Å; C323-P325 VanDerWaalsContact C-CD 3.48Å; C323-P325 WeakPolarHBondContact O-CD 3.4Å; C323-P325 VanDerWaalsContact SG-CD 3.56Å; C323-F336 HydrophobicContact CB-CB 4.27Å; C323-F336 PolarHBondContact N-O 2.85Å; C323-F336 PolarHBondContact O-N 2.86Å
324E87.7Confident81.1Confident117 Ų11784.8 Ų84.855%0.54741%0.405SS..  trans-122.374.9175.6-58.6-168.717100109.3K335E324-K335 HydrophobicContact CG-CG 4.04Å; E324-K335 WeakPolarHBondContact OE1-CD 3.27Å; E324-K335 WeakPolarHBondContact OE1-CE 3.36Å; E324-K335 WeakPolarHBondContact OE1-CG 3.47Å
325P84.7Confident81.8Confident6 Ų687.7 Ų87.74%0.03942%0.417CS..  trans-83.1147.7178.928.6-20.7000111M137 C323 I327 F336M137-P325 HydrophobicContact CG-CB 4.03Å; C323-P325 VanDerWaalsContact C-CD 3.48Å; C323-P325 WeakPolarHBondContact O-CD 3.4Å; C323-P325 VanDerWaalsContact SG-CD 3.56Å; P325-I327 HydrophobicContact CB-CD1 4.21Å; P325-I327 HydrophobicContact CB-CG1 4.1Å; P325-I327 HydrophobicContact CB-CG2 4.41Å; P325-I327 HydrophobicContact CG-CD1 3.7Å; P325-I327 HydrophobicContact CG-CG1 3.8Å; P325-I327 PolarHBondContact O-N 3.02Å; P325-F336 HydrophobicContact CG-CD2 3.86Å; P325-F336 HydrophobicContact CG-CE2 3.93Å
326D83.1Confident82.8Confident171 Ų17184.9 Ų84.991%0.91440%0.4SS*.SBendtrans-74.654.1178.6-65.9-36.7000112.6
327I84.3Confident83.8Confident11 Ų1177.6 Ų77.66%0.05637%0.373CS..  trans-120.614.7-175.763.9177.6000113.5F133 I134 M137 P325 Q329 L330 T331 F336F133-I327 HydrophobicContact CE1-CD1 4.29Å; F133-I327 HydrophobicContact CE1-CG2 4.24Å; I134-I327 HydrophobicContact CG1-CD1 4.07Å; M137-I327 HydrophobicContact CG-CG2 4.44Å; P325-I327 HydrophobicContact CB-CD1 4.21Å; P325-I327 HydrophobicContact CB-CG1 4.1Å; P325-I327 HydrophobicContact CB-CG2 4.41Å; P325-I327 HydrophobicContact CG-CD1 3.7Å; P325-I327 HydrophobicContact CG-CG1 3.8Å; P325-I327 PolarHBondContact O-N 3.02Å; I327-Q329 PolarHBondContact O-N 3.02Å; I327-Q329 VanDerWaalsContact O-N 3.09Å; I327-L330 PolarHBondContact O-N 2.79Å; I327-T331 HydrophobicContact CD1-CG2 4.22Å; I327-T331 PolarHBondContact O-N 3.1Å; I327-T331 PolarHBondContact O-OG1 2.97Å; I327-F336 HydrophobicContact CD1-CE2 4.11Å; I327-F336 HydrophobicContact CD1-CZ 4.36Å; I327-F336 HydrophobicContact CG1-CE2 4.24Å
328E81.1Confident84.4Confident108 Ų10876.6 Ų76.651%0.50537%0.368SS..Hα-helixtrans-53-35.4-177.6-170179.4167.600112.6L330 G332E328-L330 VanDerWaalsContact C-N 3.28Å; E328-L330 PolarHBondContact O-N 3.26Å; E328-G332 VanDerWaalsContact O-CA 3.29Å; E328-G332 WeakPolarHBondContact O-CA 3.25Å; E328-G332 PolarHBondContact O-N 2.82Å
329Q79.8Confident84.9Confident195 Ų19572.8 Ų72.891%0.91135%0.353SS*.Hα-helixtrans-66.8-23.9177.9-64.4-174.7-8.100114.1I327I327-Q329 PolarHBondContact O-N 3.02Å; I327-Q329 VanDerWaalsContact O-N 3.09Å
330L81.3Confident85.1Confident113 Ų11367.8 Ų67.859%0.59233%0.331SS*.Hα-helixtrans-96.9-31.9-179-83.780.9000113Q130 F133 I327 E328Q130-L330 PolarHBondContact NE2-O 2.86Å; F133-L330 HydrophobicContact CE1-CD2 4.44Å; I327-L330 PolarHBondContact O-N 2.79Å; E328-L330 VanDerWaalsContact C-N 3.28Å; E328-L330 PolarHBondContact O-N 3.26Å
331T81.5Confident85.2Confident12 Ų1265.5 Ų65.57%0.07432%0.324CS..Hα-helixtrans-118.2-13.8-170.755.80000113.8L126 I134 I327 Y333L126-T331 WeakPolarHBondContact CD2-O 3.43Å; I134-T331 HydrophobicContact CD1-CG2 3.78Å; I134-T331 HydrophobicContact CG1-CG2 3.8Å; I327-T331 HydrophobicContact CD1-CG2 4.22Å; I327-T331 PolarHBondContact O-N 3.1Å; I327-T331 PolarHBondContact O-OG1 2.97Å; T331-Y333 WeakPolarHBondContact O-CD2 3.34Å; T331-Y333 PolarHBondContact O-N 2.98Å
332G80.5Confident85.1Confident58 Ų5865.4 Ų65.460%0.59832%0.324SS*.SBendtrans73.47.2179.900000115.5E328E328-G332 VanDerWaalsContact O-CA 3.29Å; E328-G332 WeakPolarHBondContact O-CA 3.25Å; E328-G332 PolarHBondContact O-N 2.82Å
333Y82.8Confident85Confident52 Ų5258.1 Ų58.120%0.20430%0.296CS..  trans-131.4141.2178.4-68.4-86.4000110.6P56 L126 T331 F336P56-Y333 HydrophobicContact CB-CD1 3.56Å; P56-Y333 HydrophobicContact CB-CD2 3.66Å; P56-Y333 HydrophobicContact CB-CE1 3.94Å; P56-Y333 HydrophobicContact CB-CE2 4.03Å; P56-Y333 HydrophobicContact CB-CG 3.41Å; P56-Y333 VanDerWaalsContact CB-CG 3.41Å; P56-Y333 HydrophobicContact CG-CD2 4.18Å; P56-Y333 HydrophobicContact CG-CE1 4.47Å; P56-Y333 HydrophobicContact CG-CE2 4.13Å; P56-Y333 HydrophobicContact CG-CG 4.38Å; L126-Y333 HydrophobicContact CD1-CD2 4.12Å; L126-Y333 HydrophobicContact CD1-CE2 4.11Å; L126-Y333 HydrophobicContact CG-CE2 4.32Å; T331-Y333 WeakPolarHBondContact O-CD2 3.34Å; T331-Y333 PolarHBondContact O-N 2.98Å; Y333-F336 WeakPolarHBondContact O-CE2 3.27Å; Y333-F336 WeakPolarHBondContact O-CZ 3.45Å
334K83Confident84.9Confident104 Ų10464.2 Ų64.245%0.45232%0.323SS..SBendtrans-96.4-38.3-179.3-174.8174.2-179.6174.80114.2
335K86.9Confident84.9Confident80 Ų8062 Ų6235%0.34831%0.313SS..  trans-110.3131.3-177.9-59.7-171.8-177.2172.70111C57 E62 E324C57-K335 HydrophobicContact CB-CB 4.3Å; C57-K335 PolarHBondContact N-O 3.09Å; E62-K335 IonicContact OE1-NZ 2.82Å; E62-K335 PolarHBondContact OE1-NZ 2.92Å; E324-K335 HydrophobicContact CG-CG 4.04Å; E324-K335 WeakPolarHBondContact OE1-CD 3.27Å; E324-K335 WeakPolarHBondContact OE1-CE 3.36Å; E324-K335 WeakPolarHBondContact OE1-CG 3.47Å
336F88.8Confident85Confident0 Ų062 Ų620%031%0.313CS..EExtended strand (participates in β ladder)trans-122.9139.5174.9-58.4-88.4000110.9C54 L55 P56 I134 C323 P325 I327 Y333C54-F336 HydrophobicContact CB-CB 4.46Å; L55-F336 CarbonylContact O-C 3.1Å; L55-F336 WeakPolarHBondContact O-CA 3.41Å; P56-F336 HydrophobicContact CB-CD1 3.94Å; P56-F336 HydrophobicContact CB-CE1 3.84Å; I134-F336 HydrophobicContact CD1-CD1 4.38Å; I134-F336 HydrophobicContact CD1-CE1 3.61Å; I134-F336 HydrophobicContact CD1-CZ 4.05Å; I134-F336 HydrophobicContact CG1-CE1 4.07Å; I134-F336 HydrophobicContact CG1-CZ 4.17Å; I134-F336 HydrophobicContact CG2-CB 4.49Å; I134-F336 HydrophobicContact CG2-CD1 3.59Å; I134-F336 HydrophobicContact CG2-CD2 4.3Å; I134-F336 HydrophobicContact CG2-CE1 3.79Å; I134-F336 HydrophobicContact CG2-CE2 4.48Å; I134-F336 HydrophobicContact CG2-CG 3.86Å; I134-F336 HydrophobicContact CG2-CZ 4.23Å; C323-F336 HydrophobicContact CB-CB 4.27Å; C323-F336 PolarHBondContact N-O 2.85Å; C323-F336 PolarHBondContact O-N 2.86Å; P325-F336 HydrophobicContact CG-CD2 3.86Å; P325-F336 HydrophobicContact CG-CE2 3.93Å; I327-F336 HydrophobicContact CD1-CE2 4.11Å; I327-F336 HydrophobicContact CD1-CZ 4.36Å; I327-F336 HydrophobicContact CG1-CE2 4.24Å; Y333-F336 WeakPolarHBondContact O-CE2 3.27Å; Y333-F336 WeakPolarHBondContact O-CZ 3.45Å
337Y89.2Confident85.2Confident61 Ų6157.3 Ų57.324%0.23929%0.285CS..EExtended strand (participates in β ladder)trans-102.7118.2173.2177.3-94.4000109.6C54 L55 K320 Y322 T339C54-Y337 WeakPolarHBondContact CA-O 3.45Å; L55-Y337 PolarHBondContact N-O 3.05Å; L55-Y337 PolarHBondContact O-N 3.06Å; K320-Y337 HydrophobicContact CB-CE2 4.08Å; K320-Y337 HydrophobicContact CD-CE2 4.32Å; K320-Y337 WeakPolarHBondContact CD-OH 3.34Å; K320-Y337 WeakPolarHBondContact CE-OH 3.48Å; K320-Y337 HydrophobicContact CG-CE2 4.38Å; K320-Y337 WeakPolarHBondContact CG-OH 3.35Å; K320-Y337 PolarHBondContact NZ-OH 3.16Å; Y322-Y337 HydrophobicContact CD1-CD2 4.1Å; Y322-Y337 AromaticContact CE1-CD2 3.66Å; Y322-Y337 HydrophobicContact CE1-CD2 3.66Å; Y322-Y337 HydrophobicContact CE1-CE2 4.34Å; Y322-Y337 AromaticContact CZ-CD2 3.98Å; Y337-T339 HydrophobicContact CE1-CG2 3.89Å
338C90.1Very high85.4Confident0 Ų062.1 Ų62.10%031%0.306CS..EExtended strand (participates in β ladder)trans-113.2142.4-172.9-60.70000111.7V52 A53 C54 C138 H321V52-C338 HydrophobicContact CG1-CB 3.88Å; A53-C338 CarbonylContact O-C 3.56Å; A53-C338 WeakPolarHBondContact O-CA 3.38Å; C54-C338 HydrophobicContact CB-CB 4.12Å; C54-C338 WeakPolarHBondContact CB-SG 3.42Å; C54-C338 WeakPolarHBondContact SG-CB 3.46Å; C54-C338 CovalentContact SG-SG 2.04Å; C54-C338 PolarHBondContact SG-SG 3.05Å; C138-C338 VanDerWaalsContact CB-SG 3.51Å; H321-C338 HydrophobicContact CB-CB 4.41Å; H321-C338 PolarHBondContact N-O 2.97Å; H321-C338 PolarHBondContact O-N 3.4Å
339T89.3Confident85.8Confident40 Ų4057.9 Ų57.925%0.24529%0.286CS..EExtended strand (participates in β ladder)trans-116.2135173.557.30000110.5V52 A53 F319 Y337V52-T339 WeakPolarHBondContact CA-O 3.37Å; A53-T339 PolarHBondContact N-O 3.47Å; A53-T339 VanDerWaalsContact N-O 3.16Å; A53-T339 PolarHBondContact O-N 3.42Å; A53-T339 PolarHBondContact O-OG1 3.04Å; F319-T339 HydrophobicContact CE1-CG2 3.9Å; F319-T339 HydrophobicContact CZ-CG2 4.24Å; F319-T339 WeakPolarHBondContact O-CA 3.28Å; Y337-T339 HydrophobicContact CE1-CG2 3.89Å
340H88.4Confident86.3Confident0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-104.7108.6177-176-139.3000110.6D50 L143 S147 F319 M342 A343D50-H340 IonicContact OD1-CD2 3.01Å; D50-H340 PolarHBondContact OD1-CD2 3.32Å; D50-H340 IonicContact OD1-CE1 3.48Å; D50-H340 IonicContact OD1-NE2 3.88Å; D50-H340 PolarHBondContact OD1-NE2 3.21Å; L143-H340 HydrophobicContact CD2-CB 4.3Å; S147-H340 PolarHBondContact OG-CE1 3.02Å; S147-H340 PolarHBondContact OG-ND1 2.87Å; F319-H340 WeakPolarHBondContact CD2-O 3.36Å; F319-H340 WeakPolarHBondContact CE2-O 3.25Å; F319-H340 PolarHBondContact O-N 3.43Å; H340-M342 VanDerWaalsContact C-N 3.28Å; H340-M342 PolarHBondContact O-N 2.91Å; H340-A343 HydrophobicContact CB-CB 4.23Å; H340-A343 PolarHBondContact ND1-N 3.3Å; H340-A343 WeakPolarHBondContact O-CB 3.18Å; H340-A343 PolarHBondContact O-N 3.42Å
341N84.8Confident86.7Confident68 Ų6849.9 Ų49.936%0.36424%0.244SC..THydrogen-bonded Turntrans-64.2-30-173.867.9-8.8000113.7K49 H51K49-N341 PolarHBondContact O-ND2 3.21Å; K49-N341 PolarHBondContact O-OD1 3.15Å; H51-N341 PolarHBondContact N-OD1 2.81Å; H51-N341 VanDerWaalsContact O-CG 3.22Å; H51-N341 PolarHBondContact O-OD1 2.96Å
342M85.6Confident87.2Confident20 Ų2052.4 Ų52.410%0.09926%0.26CS..THydrogen-bonded Turntrans-89.3-8.3-176.2-72.5-57.4103.400113.9M45 K49 H340 F344 M345 L346M45-M342 HydrophobicContact CE-SD 4.23Å; K49-M342 HydrophobicContact CB-CE 3.89Å; K49-M342 HydrophobicContact CB-SD 4.01Å; K49-M342 HydrophobicContact CD-CE 4.48Å; H340-M342 VanDerWaalsContact C-N 3.28Å; H340-M342 PolarHBondContact O-N 2.91Å; M342-F344 VanDerWaalsContact C-N 3.32Å; M342-F344 PolarHBondContact O-N 3Å; M342-M345 PolarHBondContact O-N 3.24Å; M342-M345 VanDerWaalsContact O-N 3.08Å; M342-L346 HydrophobicContact CB-CD1 4.04Å; M342-L346 HydrophobicContact CB-CG 4.26Å; M342-L346 WeakPolarHBondContact O-CB 3.35Å; M342-L346 WeakPolarHBondContact O-CG 3.36Å; M342-L346 PolarHBondContact O-N 3.3Å
343A84.1Confident87.7Confident3 Ų349.6 Ų49.63%0.02523%0.231CC..Hα-helixtrans-51.4-45.9-174.800000113.5I317 E318 F319 H340 H347I317-A343 HydrophobicContact CG2-CB 3.9Å; E318-A343 WeakPolarHBondContact O-CB 3.44Å; F319-A343 HydrophobicContact CB-CB 4.37Å; F319-A343 HydrophobicContact CD2-CB 4.42Å; H340-A343 HydrophobicContact CB-CB 4.23Å; H340-A343 PolarHBondContact ND1-N 3.3Å; H340-A343 WeakPolarHBondContact O-CB 3.18Å; H340-A343 PolarHBondContact O-N 3.42Å; A343-H347 VanDerWaalsContact O-CB 3.31Å; A343-H347 WeakPolarHBondContact O-CB 3.27Å; A343-H347 PolarHBondContact O-N 3.09Å
344F86Confident88.1Confident129 Ų12948.2 Ų48.257%0.56623%0.227SC*.Hα-helixtrans-68.5-40-179.7-177-105.6000113.2M342 K348M342-F344 VanDerWaalsContact C-N 3.32Å; M342-F344 PolarHBondContact O-N 3Å; F344-K348 HydrophobicContact CD1-CD 4.43Å; F344-K348 HydrophobicContact CE1-CD 3.97Å; F344-K348 VanDerWaalsContact CE1-NZ 3.28Å; F344-K348 HydrophobicContact CZ-CD 4.25Å; F344-K348 PolarHBondContact O-N 2.73Å; F344-K348 VanDerWaalsContact O-N 3.16Å
345M87.4Confident88.5Confident70 Ų7046.2 Ų46.235%0.34522%0.223SC..Hα-helixtrans-68.3-44.2177.7-73.3-60.4-64.500111.1M45 M342 H347 K348 L349M45-M345 HydrophobicContact SD-CE 4.04Å; M342-M345 PolarHBondContact O-N 3.24Å; M342-M345 VanDerWaalsContact O-N 3.08Å; M345-H347 VanDerWaalsContact C-N 3.34Å; M345-H347 PolarHBondContact O-N 3.49Å; M345-K348 PolarHBondContact O-N 3.27Å; M345-L349 WeakPolarHBondContact O-CG 3.49Å; M345-L349 PolarHBondContact O-N 3.27Å
346L86.3Confident88.8Confident6 Ų643.6 Ų43.63%0.03121%0.213CC..Hα-helixtrans-63.5-39.1175.9-71.5172.1000111.8F150 P151 I317 M342 K348 L349 L350F150-L346 HydrophobicContact CD1-CD2 4.36Å; P151-L346 HydrophobicContact CG-CD2 4.14Å; I317-L346 HydrophobicContact CD1-CB 4.08Å; M342-L346 HydrophobicContact CB-CD1 4.04Å; M342-L346 HydrophobicContact CB-CG 4.26Å; M342-L346 WeakPolarHBondContact O-CB 3.35Å; M342-L346 WeakPolarHBondContact O-CG 3.36Å; M342-L346 PolarHBondContact O-N 3.3Å; L346-K348 PolarHBondContact O-N 3.36Å; L346-L349 PolarHBondContact O-N 3.39Å; L346-L350 VanDerWaalsContact O-CB 3.23Å; L346-L350 WeakPolarHBondContact O-CB 3.49Å; L346-L350 PolarHBondContact O-N 3.27Å
347H87.3Confident89Confident73 Ų7343.6 Ų43.634%0.33821%0.213SC..Hα-helixtrans-61.7-43.9175.6-173.182.5000112.1V315 A343 M345 L350 F351V315-H347 PolarHBondContact O-CE1 3.36Å; V315-H347 VanDerWaalsContact O-CE1 3.26Å; V315-H347 PolarHBondContact O-ND1 3.1Å; V315-H347 VanDerWaalsContact O-ND1 3.15Å; A343-H347 VanDerWaalsContact O-CB 3.31Å; A343-H347 WeakPolarHBondContact O-CB 3.27Å; A343-H347 PolarHBondContact O-N 3.09Å; M345-H347 VanDerWaalsContact C-N 3.34Å; M345-H347 PolarHBondContact O-N 3.49Å; H347-L350 PolarHBondContact O-N 3.1Å; H347-F351 PolarHBondContact O-N 3.5Å
348K89.6Confident89.1Confident112 Ų11244.1 Ų44.149%0.48722%0.219SC..Hα-helixtrans-63.5-44.9174.7-74.7-175.2172-178.20112.3F344 M345 L346 L350 F351 T352F344-K348 HydrophobicContact CD1-CD 4.43Å; F344-K348 HydrophobicContact CE1-CD 3.97Å; F344-K348 VanDerWaalsContact CE1-NZ 3.28Å; F344-K348 HydrophobicContact CZ-CD 4.25Å; F344-K348 PolarHBondContact O-N 2.73Å; F344-K348 VanDerWaalsContact O-N 3.16Å; M345-K348 PolarHBondContact O-N 3.27Å; L346-K348 PolarHBondContact O-N 3.36Å; K348-L350 VanDerWaalsContact C-N 3.35Å; K348-F351 PolarHBondContact O-N 3.22Å; K348-T352 PolarHBondContact O-N 2.96Å; K348-T352 PolarHBondContact O-OG1 2.63Å; K348-T352 VanDerWaalsContact O-OG1 3.08Å
349L90.2Very high89.3Confident19 Ų1947.4 Ų47.410%0.09924%0.236CC..Hα-helixtrans-63.7-39.3177.5-73.6166.1000112.2L38 F41 A42 M345 L346 T352 Y353L38-L349 HydrophobicContact CD1-CD2 4.42Å; L38-L349 HydrophobicContact CG-CD2 4.14Å; F41-L349 HydrophobicContact CD1-CD1 4.34Å; F41-L349 HydrophobicContact CD1-CD2 3.86Å; F41-L349 HydrophobicContact CE1-CD1 4.29Å; F41-L349 HydrophobicContact CE1-CD2 4.03Å; A42-L349 HydrophobicContact CB-CD1 3.95Å; M345-L349 WeakPolarHBondContact O-CG 3.49Å; M345-L349 PolarHBondContact O-N 3.27Å; L346-L349 PolarHBondContact O-N 3.39Å; L349-T352 PolarHBondContact O-N 3.02Å; L349-Y353 WeakPolarHBondContact O-CB 3.12Å; L349-Y353 PolarHBondContact O-N 3.19Å
350L88.8Confident89.5Confident3 Ų345.6 Ų45.62%0.01623%0.225CC..Hα-helixtrans-62.7-45.9174.4174.563.6000111.3F150 L314 I317 L346 H347 K348 Y353 I354F150-L350 HydrophobicContact CD2-CD1 3.85Å; F150-L350 HydrophobicContact CE1-CB 4.29Å; F150-L350 HydrophobicContact CE2-CB 4.24Å; F150-L350 HydrophobicContact CE2-CD1 3.25Å; F150-L350 HydrophobicContact CE2-CG 4.32Å; F150-L350 HydrophobicContact CZ-CB 3.92Å; F150-L350 HydrophobicContact CZ-CD1 3.79Å; F150-L350 HydrophobicContact CZ-CG 4.48Å; L314-L350 WeakPolarHBondContact O-CD2 3.44Å; I317-L350 HydrophobicContact CD1-CD2 4.03Å; L346-L350 VanDerWaalsContact O-CB 3.23Å; L346-L350 WeakPolarHBondContact O-CB 3.49Å; L346-L350 PolarHBondContact O-N 3.27Å; H347-L350 PolarHBondContact O-N 3.1Å; K348-L350 VanDerWaalsContact C-N 3.35Å; L350-Y353 PolarHBondContact O-N 3.15Å; L350-I354 HydrophobicContact CD1-CD1 4.03Å; L350-I354 HydrophobicContact CD1-CG1 4.27Å; L350-I354 HydrophobicContact CG-CD1 4.02Å; L350-I354 VanDerWaalsContact O-CG1 3.3Å; L350-I354 WeakPolarHBondContact O-CG1 3.25Å; L350-I354 PolarHBondContact O-N 3.28Å
351F89.7Confident89.7Confident137 Ų13745.6 Ų45.660%0.60123%0.225SC*.Hα-helixtrans-60.1-47.9175.5-179.7-95.8000111.7H347 K348 Y353 I354 V355H347-F351 PolarHBondContact O-N 3.5Å; K348-F351 PolarHBondContact O-N 3.22Å; F351-Y353 VanDerWaalsContact C-N 3.31Å; F351-Y353 PolarHBondContact O-N 3.04Å; F351-I354 PolarHBondContact O-N 2.76Å; F351-V355 HydrophobicContact CD1-CG2 4.34Å; F351-V355 HydrophobicContact CE1-CG2 3.92Å; F351-V355 HydrophobicContact CZ-CG2 4.06Å; F351-V355 WeakPolarHBondContact O-CG2 3.34Å; F351-V355 PolarHBondContact O-N 3.22Å
352T91.6Very high90.1Very high65 Ų6548 Ų4840%0.39924%0.236SC..Hα-helixtrans-59.5-42176-56.30000111.7L38 K348 L349 V355 L356L38-T352 HydrophobicContact CD1-CG2 3.53Å; K348-T352 PolarHBondContact O-N 2.96Å; K348-T352 PolarHBondContact O-OG1 2.63Å; K348-T352 VanDerWaalsContact O-OG1 3.08Å; L349-T352 PolarHBondContact O-N 3.02Å; T352-V355 PolarHBondContact O-N 3.16Å; T352-L356 HydrophobicContact CG2-CD1 4.38Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 3.38Å; T352-L356 VanDerWaalsContact O-N 3.07Å
353Y91.3Very high90.4Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-62.8-42.9176.3-178.5-104000112.6M35 L38 F150 T154 I307 T311 L349 L350 F351 V355 L356 I357M35-Y353 HydrophobicContact CE-CE2 3.76Å; L38-Y353 HydrophobicContact CD2-CD2 4.2Å; F150-Y353 HydrophobicContact CE2-CD1 4.2Å; F150-Y353 HydrophobicContact CZ-CD1 4.42Å; F150-Y353 HydrophobicContact CZ-CG 4.39Å; T154-Y353 HydrophobicContact CG2-CD1 3.78Å; T154-Y353 HydrophobicContact CG2-CD2 4.02Å; T154-Y353 HydrophobicContact CG2-CE1 3.59Å; T154-Y353 HydrophobicContact CG2-CE2 3.83Å; T154-Y353 HydrophobicContact CG2-CG 3.98Å; I307-Y353 HydrophobicContact CG2-CE1 4.06Å; T311-Y353 HydrophobicContact CG2-CE1 4.44Å; L349-Y353 WeakPolarHBondContact O-CB 3.12Å; L349-Y353 PolarHBondContact O-N 3.19Å; L350-Y353 PolarHBondContact O-N 3.15Å; F351-Y353 VanDerWaalsContact C-N 3.31Å; F351-Y353 PolarHBondContact O-N 3.04Å; Y353-V355 VanDerWaalsContact C-N 3.34Å; Y353-V355 PolarHBondContact O-N 3.2Å; Y353-L356 PolarHBondContact O-N 3.25Å; Y353-I357 HydrophobicContact CD1-CG1 4.1Å; Y353-I357 HydrophobicContact CD2-CG1 4.47Å; Y353-I357 HydrophobicContact CE1-CD1 4.29Å; Y353-I357 HydrophobicContact CE1-CG1 3.66Å; Y353-I357 HydrophobicContact CE2-CD1 4.39Å; Y353-I357 HydrophobicContact CE2-CG1 4.08Å; Y353-I357 HydrophobicContact CG-CG1 4.49Å; Y353-I357 WeakPolarHBondContact O-CB 3.29Å; Y353-I357 WeakPolarHBondContact O-CG1 3.15Å; Y353-I357 PolarHBondContact O-N 2.95Å
354I90.9Very high90.8Very high23 Ų2347.7 Ų47.712%0.11823%0.234CC..Hα-helixtrans-60.7-44176.6-70.1166.6000110.5L308 V315 L350 F351 L356 I357 I358L308-I354 HydrophobicContact CD1-CG2 4.26Å; V315-I354 HydrophobicContact CG2-CD1 3.81Å; L350-I354 HydrophobicContact CD1-CD1 4.03Å; L350-I354 HydrophobicContact CD1-CG1 4.27Å; L350-I354 HydrophobicContact CG-CD1 4.02Å; L350-I354 VanDerWaalsContact O-CG1 3.3Å; L350-I354 WeakPolarHBondContact O-CG1 3.25Å; L350-I354 PolarHBondContact O-N 3.28Å; F351-I354 PolarHBondContact O-N 2.76Å; I354-L356 PolarHBondContact O-N 3.11Å; I354-I357 PolarHBondContact O-N 3.21Å; I354-I358 HydrophobicContact CG2-CD1 3.81Å; I354-I358 HydrophobicContact CG2-CG1 4.41Å; I354-I358 VanDerWaalsContact O-CG1 3.29Å; I354-I358 WeakPolarHBondContact O-CG1 3.25Å; I354-I358 PolarHBondContact O-N 3.28Å
355V92.3Very high91.1Very high61 Ų6145.1 Ų45.137%0.3723%0.226SC..Hα-helixtrans-60-46.1176.51730000111.2F351 T352 Y353 I357 I358 I359F351-V355 HydrophobicContact CD1-CG2 4.34Å; F351-V355 HydrophobicContact CE1-CG2 3.92Å; F351-V355 HydrophobicContact CZ-CG2 4.06Å; F351-V355 WeakPolarHBondContact O-CG2 3.34Å; F351-V355 PolarHBondContact O-N 3.22Å; T352-V355 PolarHBondContact O-N 3.16Å; Y353-V355 VanDerWaalsContact C-N 3.34Å; Y353-V355 PolarHBondContact O-N 3.2Å; V355-I357 PolarHBondContact O-N 3.33Å; V355-I358 PolarHBondContact O-N 3.37Å; V355-I359 HydrophobicContact CG1-CD1 4.12Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 3.23Å; V355-I359 VanDerWaalsContact O-N 3.07Å
356L93Very high91.4Very high25 Ų2546.1 Ų46.113%0.13123%0.227CC..Hα-helixtrans-62.5-41.8177.4-66.7171.2000112L31 V34 M35 L38 T352 Y353 I354 I359 Y360L31-L356 HydrophobicContact CD1-CB 4.19Å; L31-L356 HydrophobicContact CD1-CD2 3.62Å; L31-L356 HydrophobicContact CD1-CG 4.47Å; V34-L356 HydrophobicContact CG1-CD1 3.96Å; V34-L356 HydrophobicContact CG1-CD2 4.15Å; M35-L356 HydrophobicContact CG-CB 3.99Å; M35-L356 HydrophobicContact CG-CD1 4.17Å; L38-L356 HydrophobicContact CD1-CD1 4.08Å; T352-L356 HydrophobicContact CG2-CD1 4.38Å; T352-L356 WeakPolarHBondContact O-CG 3.49Å; T352-L356 PolarHBondContact O-N 3.38Å; T352-L356 VanDerWaalsContact O-N 3.07Å; Y353-L356 PolarHBondContact O-N 3.25Å; I354-L356 PolarHBondContact O-N 3.11Å; L356-I359 PolarHBondContact O-N 2.97Å; L356-Y360 WeakPolarHBondContact O-CB 3.45Å; L356-Y360 PolarHBondContact O-N 3.37Å
357I92.4Very high91.6Very high1 Ų146.1 Ų46.11%0.00523%0.227CC..Hα-helixtrans-64.5-37.8176.5-77.7-71.9000111.9M35 L161 F304 I307 Y353 I354 V355 Y360 G361M35-I357 HydrophobicContact CE-CD1 3.26Å; M35-I357 HydrophobicContact CE-CG1 4Å; M35-I357 HydrophobicContact SD-CD1 4.19Å; L161-I357 HydrophobicContact CD1-CD1 4.32Å; F304-I357 HydrophobicContact CD2-CG2 3.73Å; F304-I357 WeakPolarHBondContact CD2-O 3.4Å; F304-I357 HydrophobicContact CE2-CG2 3.92Å; F304-I357 VanDerWaalsContact CE2-O 3.26Å; F304-I357 WeakPolarHBondContact CE2-O 3.33Å; I307-I357 HydrophobicContact CD1-CD1 4.35Å; I307-I357 HydrophobicContact CG2-CD1 4.08Å; I307-I357 HydrophobicContact CG2-CG1 4.16Å; I307-I357 HydrophobicContact CG2-CG2 4.1Å; Y353-I357 HydrophobicContact CD1-CG1 4.1Å; Y353-I357 HydrophobicContact CD2-CG1 4.47Å; Y353-I357 HydrophobicContact CE1-CD1 4.29Å; Y353-I357 HydrophobicContact CE1-CG1 3.66Å; Y353-I357 HydrophobicContact CE2-CD1 4.39Å; Y353-I357 HydrophobicContact CE2-CG1 4.08Å; Y353-I357 HydrophobicContact CG-CG1 4.49Å; Y353-I357 WeakPolarHBondContact O-CB 3.29Å; Y353-I357 WeakPolarHBondContact O-CG1 3.15Å; Y353-I357 PolarHBondContact O-N 2.95Å; I354-I357 PolarHBondContact O-N 3.21Å; V355-I357 PolarHBondContact O-N 3.33Å; I357-Y360 PolarHBondContact O-N 3.4Å; I357-G361 PolarHBondContact O-N 3.39Å
358I92.6Very high91.7Very high72 Ų7244.1 Ų44.137%0.36922%0.219SC..Hα-helixtrans-64-47175.2-70.8166.3000110.2L308 I354 V355 Y360 G361 M362L308-I358 HydrophobicContact CD1-CD1 4.3Å; L308-I358 HydrophobicContact CD1-CG1 3.93Å; I354-I358 HydrophobicContact CG2-CD1 3.81Å; I354-I358 HydrophobicContact CG2-CG1 4.41Å; I354-I358 VanDerWaalsContact O-CG1 3.29Å; I354-I358 WeakPolarHBondContact O-CG1 3.25Å; I354-I358 PolarHBondContact O-N 3.28Å; V355-I358 PolarHBondContact O-N 3.37Å; I358-Y360 VanDerWaalsContact C-N 3.3Å; I358-Y360 PolarHBondContact O-N 3.23Å; I358-G361 PolarHBondContact O-N 3.33Å; I358-M362 HydrophobicContact CG2-CG 4.47Å; I358-M362 VanDerWaalsContact O-CG 3.31Å; I358-M362 WeakPolarHBondContact O-CG 3.38Å; I358-M362 PolarHBondContact O-N 3.05Å
359I94.3Very high91.8Very high68 Ų6844.4 Ų44.435%0.34922%0.22SC..Hα-helixtrans-59.3-44.9176.9-64.9167.7000110.2F27 L31 V355 L356 M362 T363F27-I359 HydrophobicContact CE1-CG2 3.77Å; F27-I359 HydrophobicContact CZ-CG2 3.92Å; L31-I359 HydrophobicContact CD2-CB 4.23Å; L31-I359 HydrophobicContact CD2-CG2 3.9Å; V355-I359 HydrophobicContact CG1-CD1 4.12Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 3.23Å; V355-I359 VanDerWaalsContact O-N 3.07Å; L356-I359 PolarHBondContact O-N 2.97Å; I359-M362 PolarHBondContact O-N 3.39Å; I359-T363 PolarHBondContact O-N 3.5Å; I359-T363 PolarHBondContact O-OG1 2.95Å
360Y93.3Very high91.9Very high2 Ų244.3 Ų44.31%0.00822%0.218CC..Hα-helixtrans-58.8-50.8175.6-169.5-83.2000110.5M28 L31 M35 L161 L356 I357 I358 M362 T363 C364M28-Y360 HydrophobicContact CB-CE2 3.98Å; M28-Y360 HydrophobicContact CE-CD1 3.95Å; M28-Y360 HydrophobicContact CE-CD2 4.22Å; M28-Y360 HydrophobicContact CE-CE1 3.87Å; M28-Y360 HydrophobicContact CE-CE2 4.15Å; M28-Y360 HydrophobicContact CE-CG 4.1Å; M28-Y360 WeakPolarHBondContact CE-O 3.37Å; M28-Y360 HydrophobicContact CG-CE2 4.24Å; M28-Y360 HydrophobicContact SD-CD1 4.05Å; M28-Y360 HydrophobicContact SD-CD2 3.26Å; M28-Y360 WeakPolarHBondContact SD-CD2 3.32Å; M28-Y360 HydrophobicContact SD-CE1 4.13Å; M28-Y360 HydrophobicContact SD-CE2 3.35Å; M28-Y360 WeakPolarHBondContact SD-CE2 3.47Å; M28-Y360 HydrophobicContact SD-CG 3.61Å; L31-Y360 HydrophobicContact CB-CD2 4.33Å; L31-Y360 VanDerWaalsContact CD2-CA 3.44Å; L31-Y360 VanDerWaalsContact CD2-CB 3.5Å; L31-Y360 HydrophobicContact CD2-CD2 3.87Å; L31-Y360 HydrophobicContact CD2-CG 4.16Å; L31-Y360 HydrophobicContact CG-CD2 4.1Å; M35-Y360 HydrophobicContact SD-CD2 4.38Å; L161-Y360 HydrophobicContact CD1-CD1 4.48Å; L161-Y360 HydrophobicContact CD1-CE1 4.17Å; L161-Y360 HydrophobicContact CD2-CE1 3.91Å; L161-Y360 HydrophobicContact CG-CE1 4.5Å; L356-Y360 WeakPolarHBondContact O-CB 3.45Å; L356-Y360 PolarHBondContact O-N 3.37Å; I357-Y360 PolarHBondContact O-N 3.4Å; I358-Y360 VanDerWaalsContact C-N 3.3Å; I358-Y360 PolarHBondContact O-N 3.23Å; Y360-M362 VanDerWaalsContact C-N 3.32Å; Y360-M362 PolarHBondContact O-N 3.31Å; Y360-T363 PolarHBondContact O-N 3.13Å; Y360-T363 VanDerWaalsContact O-N 3.13Å; Y360-C364 VanDerWaalsContact CE1-SG 3.55Å; Y360-C364 PolarHBondContact O-N 3.17Å
361G92.4Very high91.9Very high0 Ų044.2 Ų44.20%022%0.218CC..Hα-helixtrans-57.3-41.3179.300000113.9F304 I357 I358 T363 C364 L365F304-G361 VanDerWaalsContact CD2-CA 3.42Å; I357-G361 PolarHBondContact O-N 3.39Å; I358-G361 PolarHBondContact O-N 3.33Å; G361-T363 PolarHBondContact O-N 3.21Å; G361-C364 WeakPolarHBondContact O-CB 3.32Å; G361-C364 PolarHBondContact O-N 3.28Å; G361-L365 WeakPolarHBondContact O-CB 3.48Å; G361-L365 WeakPolarHBondContact O-CG 3.47Å; G361-L365 PolarHBondContact O-N 3.27Å
362M93.1Very high91.8Very high120 Ų12044.2 Ų44.259%0.59122%0.218SC*.Hα-helixtrans-62.7-42176.6-69.3-58-66.900111.9I358 I359 Y360 L365 Y366I358-M362 HydrophobicContact CG2-CG 4.47Å; I358-M362 VanDerWaalsContact O-CG 3.31Å; I358-M362 WeakPolarHBondContact O-CG 3.38Å; I358-M362 PolarHBondContact O-N 3.05Å; I359-M362 PolarHBondContact O-N 3.39Å; Y360-M362 VanDerWaalsContact C-N 3.32Å; Y360-M362 PolarHBondContact O-N 3.31Å; M362-L365 PolarHBondContact O-N 3.36Å; M362-L365 HydrophobicContact SD-CD1 4.44Å; M362-Y366 WeakPolarHBondContact O-CB 3.37Å; M362-Y366 PolarHBondContact O-N 2.91Å
363T92.6Very high91.5Very high14 Ų1450 Ų509%0.08623%0.232CC..Hα-helixtrans-66.8-36.8174.6-54.70000111.6W24 F27 M28 I359 Y360 G361 Y366 S367W24-T363 HydrophobicContact CB-CG2 3.64Å; F27-T363 HydrophobicContact CD1-CG2 4.23Å; M28-T363 HydrophobicContact CE-CG2 3.73Å; M28-T363 HydrophobicContact CG-CG2 3.79Å; M28-T363 HydrophobicContact SD-CG2 3.84Å; I359-T363 PolarHBondContact O-N 3.5Å; I359-T363 PolarHBondContact O-OG1 2.95Å; Y360-T363 PolarHBondContact O-N 3.13Å; Y360-T363 VanDerWaalsContact O-N 3.13Å; G361-T363 PolarHBondContact O-N 3.21Å; T363-Y366 PolarHBondContact O-N 2.88Å; T363-S367 PolarHBondContact O-N 3.35Å; T363-S367 PolarHBondContact O-OG 3.48Å
364C91.9Very high90.9Very high1 Ų156.5 Ų56.51%0.00726%0.257CS..Hα-helixtrans-62.8-47.7174.3-94.70000111.4M28 Y360 G361 Y366 S367 L368M28-C364 HydrophobicContact CE-CB 3.84Å; M28-C364 WeakPolarHBondContact CE-SG 3.13Å; Y360-C364 VanDerWaalsContact CE1-SG 3.55Å; Y360-C364 PolarHBondContact O-N 3.17Å; G361-C364 WeakPolarHBondContact O-CB 3.32Å; G361-C364 PolarHBondContact O-N 3.28Å; C364-Y366 VanDerWaalsContact C-N 3.31Å; C364-Y366 PolarHBondContact O-N 3.14Å; C364-S367 PolarHBondContact O-N 3.44Å; C364-S367 PolarHBondContact O-OG 3.13Å; C364-L368 WeakPolarHBondContact O-CB 3.03Å; C364-L368 PolarHBondContact O-N 3.42Å
365L92Very high90.4Very high75 Ų7560.1 Ų60.139%0.39328%0.282SS..Hα-helixtrans-61.6-40.3177.7-73.4168.9000111.6T301 F304 G361 M362 L368 F369T301-L365 HydrophobicContact CG2-CD2 3.77Å; T301-L365 HydrophobicContact CG2-CG 4.47Å; F304-L365 HydrophobicContact CE1-CD1 4.37Å; G361-L365 WeakPolarHBondContact O-CB 3.48Å; G361-L365 WeakPolarHBondContact O-CG 3.47Å; G361-L365 PolarHBondContact O-N 3.27Å; M362-L365 PolarHBondContact O-N 3.36Å; M362-L365 HydrophobicContact SD-CD1 4.44Å; L365-L368 PolarHBondContact O-N 3.21Å; L365-F369 VanDerWaalsContact O-CB 3.28Å; L365-F369 WeakPolarHBondContact O-CB 3.5Å; L365-F369 PolarHBondContact O-N 2.96Å
366Y92.9Very high90.2Very high92 Ų9257.2 Ų57.236%0.36126%0.264SS..Hα-helixtrans-59.3-48.9172.6173.5-94.1000111.7W23 W24 M362 T363 C364 L368 F369 W370W23-Y366 HydrophobicContact CH2-CD1 4.16Å; W23-Y366 HydrophobicContact CH2-CE1 4.07Å; W23-Y366 AromaticContact CZ2-CD1 3.96Å; W23-Y366 HydrophobicContact CZ2-CD1 3.96Å; W23-Y366 AromaticContact CZ2-CE1 3.4Å; W23-Y366 HydrophobicContact CZ2-CE1 3.4Å; W23-Y366 VanDerWaalsContact CZ2-CE1 3.4Å; W23-Y366 AromaticContact CZ2-CZ 3.74Å; W24-Y366 HydrophobicContact CD2-CE1 4.33Å; W24-Y366 HydrophobicContact CE3-CD1 4.45Å; W24-Y366 AromaticContact CE3-CE1 3.74Å; W24-Y366 HydrophobicContact CE3-CE1 3.74Å; W24-Y366 HydrophobicContact CZ3-CE1 4.09Å; M362-Y366 WeakPolarHBondContact O-CB 3.37Å; M362-Y366 PolarHBondContact O-N 2.91Å; T363-Y366 PolarHBondContact O-N 2.88Å; C364-Y366 VanDerWaalsContact C-N 3.31Å; C364-Y366 PolarHBondContact O-N 3.14Å; Y366-L368 VanDerWaalsContact C-N 3.34Å; Y366-L368 PolarHBondContact O-N 3.13Å; Y366-F369 PolarHBondContact O-N 3.17Å; Y366-W370 WeakPolarHBondContact O-CB 3.24Å; Y366-W370 PolarHBondContact O-N 3.28Å
367S90.8Very high89.9Confident5 Ų559.5 Ų59.54%0.03527%0.273CS..Hα-helixtrans-62.7-39.8178.968.70000112.2T297 T363 C364 W370 V371T297-S367 VanDerWaalsContact CG2-OG 3.25Å; T297-S367 WeakPolarHBondContact CG2-OG 3.29Å; T363-S367 PolarHBondContact O-N 3.35Å; T363-S367 PolarHBondContact O-OG 3.48Å; C364-S367 PolarHBondContact O-N 3.44Å; C364-S367 PolarHBondContact O-OG 3.13Å; S367-W370 PolarHBondContact O-N 3.22Å; S367-V371 WeakPolarHBondContact O-CG2 3.36Å; S367-V371 PolarHBondContact O-N 3.04Å
368L90.6Very high89.7Confident32 Ų3265 Ų6517%0.16830%0.299CS..Hα-helixtrans-65-44.3176.2-166.569.9000111.1T297 T301 C364 L365 Y366 W370 V371 F372T297-L368 HydrophobicContact CG2-CB 4.12Å; T297-L368 HydrophobicContact CG2-CD1 3.98Å; T301-L368 HydrophobicContact CG2-CD2 4.16Å; C364-L368 WeakPolarHBondContact O-CB 3.03Å; C364-L368 PolarHBondContact O-N 3.42Å; L365-L368 PolarHBondContact O-N 3.21Å; Y366-L368 VanDerWaalsContact C-N 3.34Å; Y366-L368 PolarHBondContact O-N 3.13Å; L368-W370 VanDerWaalsContact C-N 3.35Å; L368-W370 PolarHBondContact O-N 3.17Å; L368-V371 PolarHBondContact O-N 3.13Å; L368-F372 HydrophobicContact CD1-CD2 4.17Å; L368-F372 HydrophobicContact CD1-CE2 3.58Å; L368-F372 HydrophobicContact CG-CD2 3.99Å; L368-F372 HydrophobicContact CG-CE2 3.81Å; L368-F372 WeakPolarHBondContact O-CD2 3.15Å; L368-F372 PolarHBondContact O-N 3.11Å; L368-F372 VanDerWaalsContact O-N 3.17Å
369F91.8Very high89.5Confident117 Ų11762.5 Ų62.551%0.51329%0.285SS..Hα-helixtrans-61.8-41.5175.6176.9-104.9000112.1L365 Y366 F372 R373L365-F369 VanDerWaalsContact O-CB 3.28Å; L365-F369 WeakPolarHBondContact O-CB 3.5Å; L365-F369 PolarHBondContact O-N 2.96Å; Y366-F369 PolarHBondContact O-N 3.17Å; F369-F372 PolarHBondContact O-N 3.14Å; F369-R373 HydrophobicContact CZ-CG 4.49Å; F369-R373 WeakPolarHBondContact O-CB 3.42Å; F369-R373 PolarHBondContact O-N 3.35Å
370W91.1Very high89.1Confident17 Ų1762.2 Ų62.26%0.06429%0.289CS..Hα-helixtrans-60.8-45.6175.5-179.990.5000111.7W24 Y366 S367 L368 F372 R373 R374 L376 H405 M406 Q409W24-W370 AromaticContact CH2-CD2 3.98Å; W24-W370 HydrophobicContact CH2-CD2 3.98Å; W24-W370 AromaticContact CH2-CE2 3.91Å; W24-W370 HydrophobicContact CH2-CE3 4.29Å; W24-W370 HydrophobicContact CH2-CG 4.37Å; W24-W370 HydrophobicContact CH2-CZ2 4.21Å; W24-W370 HydrophobicContact CZ2-CD2 4.13Å; W24-W370 AromaticContact CZ2-CE3 3.99Å; W24-W370 HydrophobicContact CZ2-CE3 3.99Å; W24-W370 HydrophobicContact CZ2-CH2 4.46Å; W24-W370 HydrophobicContact CZ2-CZ3 4.15Å; Y366-W370 WeakPolarHBondContact O-CB 3.24Å; Y366-W370 PolarHBondContact O-N 3.28Å; S367-W370 PolarHBondContact O-N 3.22Å; L368-W370 VanDerWaalsContact C-N 3.35Å; L368-W370 PolarHBondContact O-N 3.17Å; W370-F372 VanDerWaalsContact C-N 3.31Å; W370-F372 PolarHBondContact O-N 2.86Å; W370-R373 PolarHBondContact O-N 3.49Å; W370-R374 PolarHBondContact O-N 3.05Å; W370-L376 HydrophobicContact CE3-CD1 3.88Å; W370-L376 HydrophobicContact CH2-CD1 3.86Å; W370-L376 HydrophobicContact CH2-CD2 3.54Å; W370-L376 HydrophobicContact CH2-CG 4.38Å; W370-L376 HydrophobicContact CZ2-CD2 3.84Å; W370-L376 HydrophobicContact CZ3-CD1 3.4Å; W370-L376 HydrophobicContact CZ3-CD2 3.98Å; W370-L376 HydrophobicContact CZ3-CG 4.35Å; W370-H405 HydrophobicContact CH2-CB 4.49Å; W370-M406 HydrophobicContact CH2-SD 4.01Å; W370-M406 HydrophobicContact CZ3-SD 4.06Å; W370-Q409 HydrophobicContact CH2-CG 4.47Å; W370-Q409 HydrophobicContact CZ2-CG 3.8Å
371V88.7Confident88.7Confident1 Ų162.1 Ų62.11%0.00629%0.288CS..Hα-helixtrans-60.5-36.7178.9168.60000113Y290 Y293 V294 S367 L368 L376Y290-V371 HydrophobicContact CE2-CG1 4.24Å; Y293-V371 HydrophobicContact CD1-CG2 4.12Å; Y293-V371 HydrophobicContact CE1-CG2 3.92Å; V294-V371 HydrophobicContact CB-CG1 4.47Å; V294-V371 HydrophobicContact CG1-CG1 4.48Å; V294-V371 HydrophobicContact CG2-CG1 3.54Å; S367-V371 WeakPolarHBondContact O-CG2 3.36Å; S367-V371 PolarHBondContact O-N 3.04Å; L368-V371 PolarHBondContact O-N 3.13Å; V371-L376 HydrophobicContact CB-CD1 4.27Å; V371-L376 HydrophobicContact CG1-CD1 4.35Å; V371-L376 HydrophobicContact CG2-CD1 4.17Å
372F87.2Confident88.2Confident137 Ų13767.4 Ų67.460%0.60131%0.313SS*.Hα-helixtrans-90.4-23.7-178.3-74.5-64.6000114.5V294 L368 F369 W370V294-F372 HydrophobicContact CG1-CZ 4.04Å; L368-F372 HydrophobicContact CD1-CD2 4.17Å; L368-F372 HydrophobicContact CD1-CE2 3.58Å; L368-F372 HydrophobicContact CG-CD2 3.99Å; L368-F372 HydrophobicContact CG-CE2 3.81Å; L368-F372 WeakPolarHBondContact O-CD2 3.15Å; L368-F372 PolarHBondContact O-N 3.11Å; L368-F372 VanDerWaalsContact O-N 3.17Å; F369-F372 PolarHBondContact O-N 3.14Å; W370-F372 VanDerWaalsContact C-N 3.31Å; W370-F372 PolarHBondContact O-N 2.86Å
373R85.8Confident87.5Confident187 Ų18766.4 Ų66.471%0.70631%0.306SS*.Hα-helixtrans-77.4-31.2-177.6-172.8176.7-176.4179.21.2112.9F369 W370F369-R373 HydrophobicContact CZ-CG 4.49Å; F369-R373 WeakPolarHBondContact O-CB 3.42Å; F369-R373 PolarHBondContact O-N 3.35Å; W370-R373 PolarHBondContact O-N 3.49Å
374R78Confident86.8Confident137 Ų13766.1 Ų66.152%0.51730%0.304SS..SBendtrans-108.9139.2-179.5-68.8-171176.2-164.2-0.5110.8W370 L376W370-R374 PolarHBondContact O-N 3.05Å; R374-L376 VanDerWaalsContact C-N 3.29Å; R374-L376 HydrophobicContact CB-CD2 4.26Å; R374-L376 PolarHBondContact O-N 3.44Å
375P82.4Confident86.5Confident98 Ų9869.8 Ų69.864%0.63632%0.317SS*.  trans-70.987.4171.330.4-33.4000109.5K377 E378P375-K377 PolarHBondContact O-N 2.66Å; P375-E378 PolarHBondContact O-N 2.98Å; P375-E378 VanDerWaalsContact O-O 3.11Å
376L86.8Confident85.9Confident1 Ų173.1 Ų73.11%0.00533%0.331CS..THydrogen-bonded Turntrans-74.6-3.9-178.1-64.1174.1000114Y290 W370 V371 R374 F402 H405Y290-L376 HydrophobicContact CD2-CB 4.34Å; Y290-L376 HydrophobicContact CE2-CB 3.98Å; Y290-L376 HydrophobicContact CE2-CD1 4.26Å; W370-L376 HydrophobicContact CE3-CD1 3.88Å; W370-L376 HydrophobicContact CH2-CD1 3.86Å; W370-L376 HydrophobicContact CH2-CD2 3.54Å; W370-L376 HydrophobicContact CH2-CG 4.38Å; W370-L376 HydrophobicContact CZ2-CD2 3.84Å; W370-L376 HydrophobicContact CZ3-CD1 3.4Å; W370-L376 HydrophobicContact CZ3-CD2 3.98Å; W370-L376 HydrophobicContact CZ3-CG 4.35Å; V371-L376 HydrophobicContact CB-CD1 4.27Å; V371-L376 HydrophobicContact CG1-CD1 4.35Å; V371-L376 HydrophobicContact CG2-CD1 4.17Å; R374-L376 VanDerWaalsContact C-N 3.29Å; R374-L376 HydrophobicContact CB-CD2 4.26Å; R374-L376 PolarHBondContact O-N 3.44Å; L376-F402 HydrophobicContact CB-CD2 4.17Å; L376-F402 HydrophobicContact CD1-CD2 4.23Å; L376-F402 HydrophobicContact CD1-CE2 4.25Å; L376-F402 WeakPolarHBondContact O-CA 3.47Å; L376-F402 PolarHBondContact O-N 3.35Å; L376-H405 HydrophobicContact CD2-CB 3.84Å
377K86.1Confident84.9Confident72 Ų7273.3 Ų73.331%0.31334%0.335SS..THydrogen-bonded Turntrans-84.9-9.7176.1-68.6-167.8171.4-159.10113.2D287 Y290 P375 K397 N398D287-K377 IonicContact OD2-NZ 3.85Å; D287-K377 PolarHBondContact OD2-NZ 3.08Å; Y290-K377 VanDerWaalsContact CD1-CE 3.45Å; Y290-K377 HydrophobicContact CD1-CG 4.29Å; Y290-K377 HydrophobicContact CE1-CD 4.42Å; Y290-K377 VanDerWaalsContact CE1-CE 3.43Å; Y290-K377 HydrophobicContact CE1-CG 4.28Å; P375-K377 PolarHBondContact O-N 2.66Å; K377-K397 CarbonylContact O-C 3.44Å; K377-K397 VanDerWaalsContact O-CA 3.28Å; K377-K397 WeakPolarHBondContact O-CA 3.37Å; K377-N398 PolarHBondContact O-N 3.44Å
378E88.3Confident84Confident118 Ų11873.5 Ų73.555%0.55134%0.337SS*.EExtended strand (participates in β ladder)trans-128.4132.2176.5-63.5-174.8159.500108.3P375 H405P375-E378 PolarHBondContact O-N 2.98Å; P375-E378 VanDerWaalsContact O-O 3.11Å; E378-H405 PolarHBondContact O-NE2 3.31Å
379Y89.3Confident83.1Confident19 Ų1974.5 Ų74.58%0.07535%0.346CS..EExtended strand (participates in β ladder)trans-126.1120.2176.8-177-78.7000108.2F381 V396 L404 H405 D408 S415Y379-F381 HydrophobicContact CD1-CD1 4.46Å; Y379-F381 HydrophobicContact CD1-CD2 4.01Å; Y379-F381 HydrophobicContact CD1-CE1 4.25Å; Y379-F381 AromaticContact CD1-CE2 3.78Å; Y379-F381 HydrophobicContact CD1-CE2 3.78Å; Y379-F381 HydrophobicContact CD1-CG 4.35Å; Y379-F381 AromaticContact CD1-CZ 3.91Å; Y379-F381 HydrophobicContact CD1-CZ 3.91Å; Y379-F381 AromaticContact CE1-CD1 3.73Å; Y379-F381 HydrophobicContact CE1-CD1 3.73Å; Y379-F381 HydrophobicContact CE1-CD2 4.09Å; Y379-F381 AromaticContact CE1-CE1 3.59Å; Y379-F381 HydrophobicContact CE1-CE1 3.59Å; Y379-F381 AromaticContact CE1-CE2 3.96Å; Y379-F381 HydrophobicContact CE1-CE2 3.96Å; Y379-F381 AromaticContact CE1-CG 3.98Å; Y379-F381 HydrophobicContact CE1-CG 3.98Å; Y379-F381 AromaticContact CE1-CZ 3.71Å; Y379-F381 HydrophobicContact CE1-CZ 3.71Å; Y379-V396 HydrophobicContact CD1-CG2 4.23Å; Y379-V396 HydrophobicContact CG-CG2 4.4Å; Y379-V396 PolarHBondContact N-O 3.17Å; Y379-V396 PolarHBondContact O-N 3.09Å; Y379-V396 VanDerWaalsContact O-N 3.11Å; Y379-L404 HydrophobicContact CD1-CB 4.44Å; Y379-L404 HydrophobicContact CD1-CD1 4.25Å; Y379-L404 HydrophobicContact CD2-CB 3.91Å; Y379-L404 HydrophobicContact CE2-CB 4.1Å; Y379-L404 HydrophobicContact CG-CB 4.12Å; Y379-L404 HydrophobicContact CG-CD1 4.5Å; Y379-H405 AromaticContact CD2-CD2 3.76Å; Y379-H405 AromaticContact CD2-CE1 3.43Å; Y379-H405 VanDerWaalsContact CD2-CE1 3.43Å; Y379-H405 WeakPolarHBondContact CD2-CE1 3.33Å; Y379-H405 AromaticContact CD2-CG 3.72Å; Y379-H405 AromaticContact CD2-ND1 3.56Å; Y379-H405 AromaticContact CD2-NE2 3.57Å; Y379-H405 AromaticContact CE2-ND1 3.94Å; Y379-D408 HydrophobicContact CE2-CB 4.49Å; Y379-S415 WeakPolarHBondContact OH-CB 3.42Å; Y379-S415 PolarHBondContact OH-OG 3.49Å
380S86.6Confident82.4Confident61 Ų6169.1 Ų69.143%0.42732%0.323SS..  trans-101.2137.5176.463.70000111.1E382 D395S380-E382 PolarHBondContact O-N 3.27Å; S380-D395 VanDerWaalsContact CA-OD1 3.23Å; S380-D395 WeakPolarHBondContact CA-OD1 3.48Å; S380-D395 WeakPolarHBondContact CB-OD1 3.39Å
381F84.9Confident81.9Confident1 Ų172.8 Ų72.80%0.00435%0.351CS..  trans-89.730.6174.1-71.1-87.7000111.7Y379 K383 V384 R385 I393 P394 D395 V396 L404 L422Y379-F381 HydrophobicContact CD1-CD1 4.46Å; Y379-F381 HydrophobicContact CD1-CD2 4.01Å; Y379-F381 HydrophobicContact CD1-CE1 4.25Å; Y379-F381 AromaticContact CD1-CE2 3.78Å; Y379-F381 HydrophobicContact CD1-CE2 3.78Å; Y379-F381 HydrophobicContact CD1-CG 4.35Å; Y379-F381 AromaticContact CD1-CZ 3.91Å; Y379-F381 HydrophobicContact CD1-CZ 3.91Å; Y379-F381 AromaticContact CE1-CD1 3.73Å; Y379-F381 HydrophobicContact CE1-CD1 3.73Å; Y379-F381 HydrophobicContact CE1-CD2 4.09Å; Y379-F381 AromaticContact CE1-CE1 3.59Å; Y379-F381 HydrophobicContact CE1-CE1 3.59Å; Y379-F381 AromaticContact CE1-CE2 3.96Å; Y379-F381 HydrophobicContact CE1-CE2 3.96Å; Y379-F381 AromaticContact CE1-CG 3.98Å; Y379-F381 HydrophobicContact CE1-CG 3.98Å; Y379-F381 AromaticContact CE1-CZ 3.71Å; Y379-F381 HydrophobicContact CE1-CZ 3.71Å; F381-K383 PolarHBondContact O-N 3.48Å; F381-V384 HydrophobicContact CB-CB 4.29Å; F381-V384 HydrophobicContact CD1-CB 4.48Å; F381-V384 HydrophobicContact CD1-CG2 4.04Å; F381-V384 WeakPolarHBondContact O-CA 3.16Å; F381-V384 PolarHBondContact O-N 3.1Å; F381-R385 WeakPolarHBondContact O-CG 3.4Å; F381-R385 PolarHBondContact O-N 3.34Å; F381-I393 HydrophobicContact CB-CB 4.43Å; F381-I393 HydrophobicContact CB-CG2 3.68Å; F381-I393 HydrophobicContact CD1-CG2 4.32Å; F381-I393 HydrophobicContact CD2-CG2 3.78Å; F381-I393 HydrophobicContact CE2-CG2 4.48Å; F381-I393 HydrophobicContact CG-CG2 3.68Å; F381-P394 WeakPolarHBondContact CD2-O 3.16Å; F381-D395 PolarHBondContact N-OD1 3.03Å; F381-V396 HydrophobicContact CE2-CG1 4.2Å; F381-V396 HydrophobicContact CE2-CG2 3.98Å; F381-L404 HydrophobicContact CE2-CD1 4.3Å; F381-L404 HydrophobicContact CZ-CD1 3.74Å; F381-L422 HydrophobicContact CE2-CD1 3.69Å; F381-L422 HydrophobicContact CZ-CD1 3.76Å
382E81.9Confident81.7Confident111 Ų11175.2 Ų75.252%0.51936%0.364SS..Hα-helixtrans-55.7-49.8-174.7-168.6168.6-161.400112.4S380 V384 R385 E386S380-E382 PolarHBondContact O-N 3.27Å; E382-V384 PolarHBondContact O-N 2.91Å; E382-R385 PolarHBondContact O-N 3.37Å; E382-R385 VanDerWaalsContact O-N 3.11Å; E382-E386 WeakPolarHBondContact O-CG 3.48Å; E382-E386 PolarHBondContact O-N 2.84Å
383K77.7Confident81.7Confident99 Ų9968.8 Ų68.843%0.4334%0.336SS..Hα-helixtrans-58.3-34.1175.2-174.1176.9178.4-179.10113.2F381 E387F381-K383 PolarHBondContact O-N 3.48Å; K383-E387 WeakPolarHBondContact CE-OE1 3.46Å; K383-E387 VanDerWaalsContact O-CB 3.3Å; K383-E387 WeakPolarHBondContact O-CB 3.36Å; K383-E387 VanDerWaalsContact O-CG 3.26Å; K383-E387 WeakPolarHBondContact O-CG 3.39Å; K383-E387 PolarHBondContact O-N 3.16Å; K383-E387 VanDerWaalsContact O-N 3.09Å
384V78.9Confident81.8Confident8 Ų861.6 Ų61.65%0.04831%0.313CS..Hα-helixtrans-76.2-39178.6-173.60000110.7F381 E382 E386 E387 S388 I393 K416F381-V384 HydrophobicContact CB-CB 4.29Å; F381-V384 HydrophobicContact CD1-CB 4.48Å; F381-V384 HydrophobicContact CD1-CG2 4.04Å; F381-V384 WeakPolarHBondContact O-CA 3.16Å; F381-V384 PolarHBondContact O-N 3.1Å; E382-V384 PolarHBondContact O-N 2.91Å; V384-E386 VanDerWaalsContact C-N 3.3Å; V384-E386 PolarHBondContact O-N 3.12Å; V384-E387 PolarHBondContact O-N 3.36Å; V384-S388 VanDerWaalsContact O-CB 3.28Å; V384-S388 WeakPolarHBondContact O-CB 3.42Å; V384-S388 PolarHBondContact O-N 2.7Å; V384-S388 PolarHBondContact O-OG 3.05Å; V384-I393 HydrophobicContact CB-CD1 4.5Å; V384-I393 HydrophobicContact CG1-CD1 3.81Å; V384-K416 HydrophobicContact CG2-CG 4.06Å
385R84.5Confident82.3Confident77 Ų7758.4 Ų58.429%0.29131%0.307SS..Hα-helixtrans-66.8-30.3174.8-69.6-177.6-68.7-163.7-7.5112.9F381 E382 S391 I393 D395F381-R385 WeakPolarHBondContact O-CG 3.4Å; F381-R385 PolarHBondContact O-N 3.34Å; E382-R385 PolarHBondContact O-N 3.37Å; E382-R385 VanDerWaalsContact O-N 3.11Å; R385-S391 WeakPolarHBondContact CD-O 3.31Å; R385-I393 HydrophobicContact CG-CB 4.24Å; R385-D395 IonicContact CZ-OD1 2.82Å; R385-D395 IonicContact NH1-OD1 3.73Å; R385-D395 IonicContact NH1-OD2 3.76Å; R385-D395 IonicContact NH2-OD1 2.58Å; R385-D395 PolarHBondContact NH2-OD1 3.28Å; R385-D395 VanDerWaalsContact NH2-OD1 3.17Å; R385-D395 IonicContact NH2-OD2 3.84Å
386E78.7Confident82.6Confident146 Ų14653.8 Ų53.868%0.68228%0.277SS*.Hα-helixtrans-77.6-37.9175.2-72.4178.3170.400112.4E382 V384E382-E386 WeakPolarHBondContact O-CG 3.48Å; E382-E386 PolarHBondContact O-N 2.84Å; V384-E386 VanDerWaalsContact C-N 3.3Å; V384-E386 PolarHBondContact O-N 3.12Å
387E72.8Confident82.7Confident95 Ų9558.9 Ų58.944%0.44430%0.299SS..Hα-helixtrans-87.6-8.7-179.1-69.9178.9-172.300113.9K383 V384 K416K383-E387 WeakPolarHBondContact CE-OE1 3.46Å; K383-E387 VanDerWaalsContact O-CB 3.3Å; K383-E387 WeakPolarHBondContact O-CB 3.36Å; K383-E387 VanDerWaalsContact O-CG 3.26Å; K383-E387 WeakPolarHBondContact O-CG 3.39Å; K383-E387 PolarHBondContact O-N 3.16Å; K383-E387 VanDerWaalsContact O-N 3.09Å; V384-E387 PolarHBondContact O-N 3.36Å; E387-K416 IonicContact OE1-NZ 2.75Å; E387-K416 WeakPolarHBondContact OE2-CE 3.35Å; E387-K416 IonicContact OE2-NZ 2.98Å; E387-K416 PolarHBondContact OE2-NZ 3.5Å
388S71.8Confident82.9Confident10 Ų1057.8 Ų57.87%0.0730%0.296CS..SBendtrans-132153.4179.672.70000111.7V384 F390V384-S388 VanDerWaalsContact O-CB 3.28Å; V384-S388 WeakPolarHBondContact O-CB 3.42Å; V384-S388 PolarHBondContact O-N 2.7Å; V384-S388 PolarHBondContact O-OG 3.05Å; S388-F390 PolarHBondContact O-N 2.7Å
389S71.1Confident83Confident53 Ų5352.2 Ų52.237%0.37127%0.27SS..SBendtrans-70.30.7177.1650000114.1T201 E204 S391T201-S389 WeakPolarHBondContact CG2-OG 3.47Å; E204-S389 PolarHBondContact OE2-OG 3.33Å; E204-S389 VanDerWaalsContact OE2-OG 3.07Å; S389-S391 PolarHBondContact O-N 3.5Å
390F78.8Confident83.1Confident3 Ų351.3 Ų51.31%0.01327%0.267CS..  trans-90.485.3179-58.2-67.7000111.5A197 T201 S388 D392 I393 V425 K429A197-F390 HydrophobicContact CB-CE2 4.5Å; T201-F390 HydrophobicContact CG2-CD2 3.96Å; T201-F390 HydrophobicContact CG2-CE2 3.38Å; T201-F390 HydrophobicContact CG2-CZ 3.89Å; S388-F390 PolarHBondContact O-N 2.7Å; F390-D392 VanDerWaalsContact C-N 3.32Å; F390-I393 HydrophobicContact CB-CD1 4Å; F390-I393 HydrophobicContact CB-CG1 4.12Å; F390-V425 HydrophobicContact CD1-CB 4.26Å; F390-V425 HydrophobicContact CD1-CG1 4.17Å; F390-V425 HydrophobicContact CE1-CG1 4.19Å; F390-K429 HydrophobicContact CE1-CD 4.28Å; F390-K429 HydrophobicContact CZ-CD 4.46Å
391S79Confident83.4Confident95 Ų9548.4 Ų48.466%0.66425%0.246SC*.THydrogen-bonded Turntrans-78.7-13.1177.358.50000114.3R385 S389 I393R385-S391 WeakPolarHBondContact CD-O 3.31Å; S389-S391 PolarHBondContact O-N 3.5Å; S391-I393 VanDerWaalsContact C-N 3.31Å; S391-I393 PolarHBondContact O-N 2.83Å
392D86.2Confident83.8Confident52 Ų5248.3 Ų48.328%0.27825%0.246SC..THydrogen-bonded Turntrans-82.7-2.9-174.969-44.5000114.1F390 P394 S423 E424 V425F390-D392 VanDerWaalsContact C-N 3.32Å; D392-P394 WeakPolarHBondContact O-CD 3.4Å; D392-S423 WeakPolarHBondContact OD1-CB 3.11Å; D392-S423 PolarHBondContact OD1-OG 2.88Å; D392-S423 WeakPolarHBondContact OD2-CA 3.45Å; D392-S423 PolarHBondContact OD2-OG 2.89Å; D392-E424 PolarHBondContact OD2-N 2.94Å; D392-V425 HydrophobicContact CB-CG2 4.22Å; D392-V425 WeakPolarHBondContact OD2-CG2 3.35Å; D392-V425 PolarHBondContact OD2-N 2.91Å
393I85.9Confident84.2Confident2 Ų243 Ų431%0.0122%0.221CC..PPolyproline II helixtrans-61120.7-179.1-59.8171.2000109.7F381 V384 R385 F390 S391 L422F381-I393 HydrophobicContact CB-CB 4.43Å; F381-I393 HydrophobicContact CB-CG2 3.68Å; F381-I393 HydrophobicContact CD1-CG2 4.32Å; F381-I393 HydrophobicContact CD2-CG2 3.78Å; F381-I393 HydrophobicContact CE2-CG2 4.48Å; F381-I393 HydrophobicContact CG-CG2 3.68Å; V384-I393 HydrophobicContact CB-CD1 4.5Å; V384-I393 HydrophobicContact CG1-CD1 3.81Å; R385-I393 HydrophobicContact CG-CB 4.24Å; F390-I393 HydrophobicContact CB-CD1 4Å; F390-I393 HydrophobicContact CB-CG1 4.12Å; S391-I393 VanDerWaalsContact C-N 3.31Å; S391-I393 PolarHBondContact O-N 2.83Å; I393-L422 HydrophobicContact CG2-CB 4.37Å
394P87.8Confident84.9Confident36 Ų3638.3 Ų38.323%0.23420%0.201CC..PPolyproline II helixtrans-77.9144.3-176.830.1-34000112F381 D392 L422F381-P394 WeakPolarHBondContact CD2-O 3.16Å; D392-P394 WeakPolarHBondContact O-CD 3.4Å; P394-L422 WeakPolarHBondContact CD-O 3.31Å; P394-L422 HydrophobicContact CG-CB 4.24Å
395D88.1Confident85.5Confident70 Ų7039.3 Ų39.337%0.37421%0.205SC..PPolyproline II helixtrans-71.9149168.5-60.4-38.2000110.1R280 S380 F381 R385R280-D395 PolarHBondContact NH2-O 3.35Å; S380-D395 VanDerWaalsContact CA-OD1 3.23Å; S380-D395 WeakPolarHBondContact CA-OD1 3.48Å; S380-D395 WeakPolarHBondContact CB-OD1 3.39Å; F381-D395 PolarHBondContact N-OD1 3.03Å; R385-D395 IonicContact CZ-OD1 2.82Å; R385-D395 IonicContact NH1-OD1 3.73Å; R385-D395 IonicContact NH1-OD2 3.76Å; R385-D395 IonicContact NH2-OD1 2.58Å; R385-D395 PolarHBondContact NH2-OD1 3.28Å; R385-D395 VanDerWaalsContact NH2-OD1 3.17Å; R385-D395 IonicContact NH2-OD2 3.84Å
396V88.9Confident85.8Confident1 Ų135.6 Ų35.61%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-124.1152.3-171.8-63.30000112Y379 F381 F400 A401 L404 L422Y379-V396 HydrophobicContact CD1-CG2 4.23Å; Y379-V396 HydrophobicContact CG-CG2 4.4Å; Y379-V396 PolarHBondContact N-O 3.17Å; Y379-V396 PolarHBondContact O-N 3.09Å; Y379-V396 VanDerWaalsContact O-N 3.11Å; F381-V396 HydrophobicContact CE2-CG1 4.2Å; F381-V396 HydrophobicContact CE2-CG2 3.98Å; V396-F400 HydrophobicContact CB-CD1 3.59Å; V396-F400 HydrophobicContact CB-CE1 3.99Å; V396-F400 HydrophobicContact CG1-CD1 3.88Å; V396-F400 HydrophobicContact CG1-CE1 3.76Å; V396-F400 HydrophobicContact CG2-CD1 3.61Å; V396-F400 HydrophobicContact CG2-CE1 3.96Å; V396-A401 HydrophobicContact CG2-CB 4.42Å; V396-A401 WeakPolarHBondContact O-CB 3.49Å; V396-L404 HydrophobicContact CG2-CD1 3.72Å; V396-L422 HydrophobicContact CG1-CD1 4.3Å
397K88.9Confident86.4Confident108 Ų10828.7 Ų28.747%0.4716%0.158SC..EExtended strand (participates in β ladder)trans-123.7165.6-170.6-59.2-173-179.7-173.70114.7E284 K377 A401E284-K397 HydrophobicContact CG-CB 4.18Å; E284-K397 PolarHBondContact OE1-N 2.77Å; E284-K397 VanDerWaalsContact OE1-N 3.11Å; K377-K397 CarbonylContact O-C 3.44Å; K377-K397 VanDerWaalsContact O-CA 3.28Å; K377-K397 WeakPolarHBondContact O-CA 3.37Å; K397-A401 PolarHBondContact O-N 3Å
398N90.9Very high87.2Confident49 Ų4925.4 Ų25.426%0.26214%0.144SC..Hα-helixtrans56.4-132.8171.8-57.1-46.9000115.2E284 S286 D287 K377 F400 A401 F402E284-N398 WeakPolarHBondContact O-CB 3.31Å; E284-N398 PolarHBondContact O-ND2 3.02Å; S286-N398 WeakPolarHBondContact O-CB 3.37Å; D287-N398 HydrophobicContact CB-CB 4.29Å; K377-N398 PolarHBondContact O-N 3.44Å; N398-F400 PolarHBondContact O-N 2.99Å; N398-A401 WeakPolarHBondContact O-CB 3.25Å; N398-A401 PolarHBondContact O-N 3.36Å; N398-F402 PolarHBondContact O-N 2.94Å
399D90.6Very high88.1Confident0 Ų027.8 Ų27.80%015%0.154CC..Hα-helixtrans-59.5-33.5-175.7-80.4-23.3000111.9V283 S286 D287 F288 I289 Y290 F402 L403V283-D399 HydrophobicContact CG1-CB 3.84Å; S286-D399 VanDerWaalsContact C-CG 3.45Å; S286-D399 WeakPolarHBondContact CB-OD2 3.49Å; S286-D399 WeakPolarHBondContact O-CB 3.37Å; S286-D399 PolarHBondContact O-N 3.43Å; S286-D399 VanDerWaalsContact O-OD2 3.06Å; S286-D399 PolarHBondContact OG-OD2 3Å; D287-D399 VanDerWaalsContact CA-CG 3.44Å; D287-D399 WeakPolarHBondContact CA-OD1 3.36Å; D287-D399 PolarHBondContact N-OD2 2.89Å; F288-D399 PolarHBondContact N-OD1 2.91Å; F288-D399 PolarHBondContact N-OD2 2.84Å; I289-D399 WeakPolarHBondContact CA-OD1 3.29Å; I289-D399 HydrophobicContact CB-CB 4.31Å; I289-D399 WeakPolarHBondContact CB-OD1 3.41Å; I289-D399 HydrophobicContact CD1-CB 4.21Å; I289-D399 HydrophobicContact CG1-CB 4.39Å; I289-D399 PolarHBondContact N-OD1 2.8Å; I289-D399 PolarHBondContact N-OD2 2.87Å; Y290-D399 PolarHBondContact N-OD1 3.44Å; D399-F402 PolarHBondContact O-N 3.36Å; D399-L403 VanDerWaalsContact O-CG 3.28Å; D399-L403 WeakPolarHBondContact O-CG 3.13Å; D399-L403 PolarHBondContact O-N 2.94Å
400F91.8Very high89Confident0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-67.8-44.7178.7-168.1-93.3000111.7F181 F279 V283 V396 N398 F402 L403 L404 F418F181-F400 HydrophobicContact CE2-CE2 4.48Å; F279-F400 HydrophobicContact CD1-CD2 4.17Å; F279-F400 AromaticContact CD1-CE2 3.71Å; F279-F400 HydrophobicContact CD1-CE2 3.71Å; F279-F400 AromaticContact CE1-CD2 3.73Å; F279-F400 HydrophobicContact CE1-CD2 3.73Å; F279-F400 AromaticContact CE1-CE2 3.58Å; F279-F400 HydrophobicContact CE1-CE2 3.58Å; V283-F400 HydrophobicContact CB-CD2 4.39Å; V283-F400 HydrophobicContact CG1-CB 3.99Å; V283-F400 HydrophobicContact CG1-CD2 4.35Å; V396-F400 HydrophobicContact CB-CD1 3.59Å; V396-F400 HydrophobicContact CB-CE1 3.99Å; V396-F400 HydrophobicContact CG1-CD1 3.88Å; V396-F400 HydrophobicContact CG1-CE1 3.76Å; V396-F400 HydrophobicContact CG2-CD1 3.61Å; V396-F400 HydrophobicContact CG2-CE1 3.96Å; N398-F400 PolarHBondContact O-N 2.99Å; F400-F402 VanDerWaalsContact C-N 3.34Å; F400-F402 PolarHBondContact O-N 2.94Å; F400-L403 PolarHBondContact O-N 3.2Å; F400-L404 HydrophobicContact CD1-CD1 3.7Å; F400-L404 HydrophobicContact CE1-CD1 3.44Å; F400-L404 VanDerWaalsContact CE1-CD1 3.44Å; F400-L404 HydrophobicContact CE1-CG 4.36Å; F400-L404 HydrophobicContact CZ-CD1 4.31Å; F400-L404 PolarHBondContact O-N 2.97Å; F400-L404 VanDerWaalsContact O-N 3.08Å; F400-F418 AromaticContact CE1-CE1 4Å; F400-F418 HydrophobicContact CE1-CE1 4Å; F400-F418 HydrophobicContact CE1-CZ 4.49Å; F400-F418 HydrophobicContact CE2-CE1 4.42Å; F400-F418 HydrophobicContact CE2-CZ 4.11Å; F400-F418 AromaticContact CZ-CE1 3.41Å; F400-F418 HydrophobicContact CZ-CE1 3.41Å; F400-F418 VanDerWaalsContact CZ-CE1 3.41Å; F400-F418 AromaticContact CZ-CZ 3.5Å; F400-F418 HydrophobicContact CZ-CZ 3.5Å; F400-F418 VanDerWaalsContact CZ-CZ 3.5Å
401A91.9Very high89.5Confident0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-59.7-44.8172.700000111.8V396 K397 N398 L403 L404 H405V396-A401 HydrophobicContact CG2-CB 4.42Å; V396-A401 WeakPolarHBondContact O-CB 3.49Å; K397-A401 PolarHBondContact O-N 3Å; N398-A401 WeakPolarHBondContact O-CB 3.25Å; N398-A401 PolarHBondContact O-N 3.36Å; A401-L403 PolarHBondContact O-N 2.95Å; A401-L404 PolarHBondContact O-N 2.99Å; A401-H405 PolarHBondContact O-CD2 3.45Å; A401-H405 PolarHBondContact O-N 3.36Å
402F92.9Very high89.9Confident0 Ų032.5 Ų32.50%016%0.157CC..Hα-helixtrans-60.7-46.5178.4172.9-108.7000111.9W168 I289 Y290 Y293 L376 N398 D399 F400 L404 H405 M406W168-F402 HydrophobicContact CZ3-CE1 4.4Å; I289-F402 HydrophobicContact CG2-CD1 3.99Å; I289-F402 HydrophobicContact CG2-CE1 3.96Å; Y290-F402 HydrophobicContact CD2-CB 4.44Å; Y290-F402 AromaticContact CD2-CD2 3.71Å; Y290-F402 HydrophobicContact CD2-CD2 3.71Å; Y290-F402 HydrophobicContact CD2-CE2 4.19Å; Y290-F402 HydrophobicContact CD2-CG 4.09Å; Y293-F402 HydrophobicContact CD1-CE2 4.18Å; Y293-F402 AromaticContact CD1-CZ 3.77Å; Y293-F402 HydrophobicContact CD1-CZ 3.77Å; Y293-F402 AromaticContact CD2-CZ 3.93Å; Y293-F402 HydrophobicContact CD2-CZ 3.93Å; Y293-F402 HydrophobicContact CE1-CZ 4.42Å; Y293-F402 HydrophobicContact CG-CE1 4.26Å; Y293-F402 HydrophobicContact CG-CE2 4.34Å; Y293-F402 AromaticContact CG-CZ 3.5Å; Y293-F402 HydrophobicContact CG-CZ 3.5Å; L376-F402 HydrophobicContact CB-CD2 4.17Å; L376-F402 HydrophobicContact CD1-CD2 4.23Å; L376-F402 HydrophobicContact CD1-CE2 4.25Å; L376-F402 WeakPolarHBondContact O-CA 3.47Å; L376-F402 PolarHBondContact O-N 3.35Å; N398-F402 PolarHBondContact O-N 2.94Å; D399-F402 PolarHBondContact O-N 3.36Å; F400-F402 VanDerWaalsContact C-N 3.34Å; F400-F402 PolarHBondContact O-N 2.94Å; F402-L404 VanDerWaalsContact C-N 3.33Å; F402-L404 PolarHBondContact O-N 3.47Å; F402-H405 PolarHBondContact O-N 2.88Å; F402-M406 HydrophobicContact CD2-CG 4.38Å; F402-M406 HydrophobicContact CE1-CG 4.04Å; F402-M406 HydrophobicContact CE2-CG 3.9Å; F402-M406 HydrophobicContact CE2-SD 3.95Å; F402-M406 HydrophobicContact CZ-CE 4.48Å; F402-M406 HydrophobicContact CZ-CG 3.7Å; F402-M406 HydrophobicContact CZ-SD 3.87Å; F402-M406 WeakPolarHBondContact O-CG 3.38Å; F402-M406 PolarHBondContact O-N 3.47Å
403L92.1Very high89.9Confident0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-61.8-40.2178-72.2173000112L20 W168 I178 F181 I289 D399 F400 A401 M406 V407L20-L403 HydrophobicContact CD1-CD2 4.47Å; L20-L403 HydrophobicContact CD2-CD2 3.94Å; W168-L403 HydrophobicContact CZ3-CD2 4.33Å; I178-L403 HydrophobicContact CG1-CD2 4.31Å; F181-L403 HydrophobicContact CB-CD1 4.16Å; F181-L403 HydrophobicContact CD1-CB 4.07Å; F181-L403 HydrophobicContact CD1-CD1 4.07Å; F181-L403 HydrophobicContact CD1-CD2 4.49Å; F181-L403 HydrophobicContact CD1-CG 4.45Å; F181-L403 HydrophobicContact CD2-CD1 4.45Å; F181-L403 HydrophobicContact CE1-CB 3.78Å; F181-L403 HydrophobicContact CE2-CB 4.42Å; F181-L403 HydrophobicContact CG-CD1 3.97Å; F181-L403 HydrophobicContact CZ-CB 3.96Å; I289-L403 HydrophobicContact CD1-CD1 4Å; I289-L403 HydrophobicContact CD1-CG 4.46Å; I289-L403 HydrophobicContact CG2-CD2 4.33Å; D399-L403 VanDerWaalsContact O-CG 3.28Å; D399-L403 WeakPolarHBondContact O-CG 3.13Å; D399-L403 PolarHBondContact O-N 2.94Å; F400-L403 PolarHBondContact O-N 3.2Å; A401-L403 PolarHBondContact O-N 2.95Å; L403-M406 WeakPolarHBondContact O-CB 3.47Å; L403-M406 PolarHBondContact O-N 2.9Å; L403-V407 WeakPolarHBondContact O-CG2 3.49Å; L403-V407 PolarHBondContact O-N 3.07Å
404L91.5Very high90.1Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-66.4-40.3175.6-77.2169000112.7F181 Y379 F381 V396 F400 A401 F402 M406 V407 D408 F418F181-L404 HydrophobicContact CE2-CD2 4.37Å; F181-L404 HydrophobicContact CZ-CD2 4.12Å; F181-L404 HydrophobicContact CZ-CG 4.36Å; Y379-L404 HydrophobicContact CD1-CB 4.44Å; Y379-L404 HydrophobicContact CD1-CD1 4.25Å; Y379-L404 HydrophobicContact CD2-CB 3.91Å; Y379-L404 HydrophobicContact CE2-CB 4.1Å; Y379-L404 HydrophobicContact CG-CB 4.12Å; Y379-L404 HydrophobicContact CG-CD1 4.5Å; F381-L404 HydrophobicContact CE2-CD1 4.3Å; F381-L404 HydrophobicContact CZ-CD1 3.74Å; V396-L404 HydrophobicContact CG2-CD1 3.72Å; F400-L404 HydrophobicContact CD1-CD1 3.7Å; F400-L404 HydrophobicContact CE1-CD1 3.44Å; F400-L404 VanDerWaalsContact CE1-CD1 3.44Å; F400-L404 HydrophobicContact CE1-CG 4.36Å; F400-L404 HydrophobicContact CZ-CD1 4.31Å; F400-L404 PolarHBondContact O-N 2.97Å; F400-L404 VanDerWaalsContact O-N 3.08Å; A401-L404 PolarHBondContact O-N 2.99Å; F402-L404 VanDerWaalsContact C-N 3.33Å; F402-L404 PolarHBondContact O-N 3.47Å; L404-M406 VanDerWaalsContact C-N 3.27Å; L404-M406 PolarHBondContact O-N 3.45Å; L404-V407 PolarHBondContact O-N 3.06Å; L404-D408 WeakPolarHBondContact O-CB 3.49Å; L404-D408 PolarHBondContact O-N 3.4Å; L404-F418 HydrophobicContact CD2-CD1 4.24Å
405H91Very high90.1Very high28 Ų2834.2 Ų34.213%0.1316%0.162CC..Hα-helixtrans-58.9-40.4172.1-80.9-62.7000111.6W370 L376 E378 Y379 A401 F402 D408 Q409W370-H405 HydrophobicContact CH2-CB 4.49Å; L376-H405 HydrophobicContact CD2-CB 3.84Å; E378-H405 PolarHBondContact O-NE2 3.31Å; Y379-H405 AromaticContact CD2-CD2 3.76Å; Y379-H405 AromaticContact CD2-CE1 3.43Å; Y379-H405 VanDerWaalsContact CD2-CE1 3.43Å; Y379-H405 WeakPolarHBondContact CD2-CE1 3.33Å; Y379-H405 AromaticContact CD2-CG 3.72Å; Y379-H405 AromaticContact CD2-ND1 3.56Å; Y379-H405 AromaticContact CD2-NE2 3.57Å; Y379-H405 AromaticContact CE2-ND1 3.94Å; A401-H405 PolarHBondContact O-CD2 3.45Å; A401-H405 PolarHBondContact O-N 3.36Å; F402-H405 PolarHBondContact O-N 2.88Å; H405-D408 PolarHBondContact O-N 3.18Å; H405-Q409 WeakPolarHBondContact O-CG 3.4Å; H405-Q409 PolarHBondContact O-N 2.7Å
406M90.4Very high90Very high0 Ų033.3 Ų33.30%015%0.154CC..Hα-helixtrans-65.2-40.4177.1-67.1-65.6-75.400112.1L20 P22 W168 Y293 W370 F402 L403 L404 Q409L20-M406 HydrophobicContact CD2-CB 4.08Å; P22-M406 HydrophobicContact CG-CE 3.64Å; P22-M406 HydrophobicContact CG-SD 4.12Å; W168-M406 HydrophobicContact CZ2-CE 4.48Å; Y293-M406 HydrophobicContact CD2-CE 4.48Å; Y293-M406 HydrophobicContact CE2-CE 3.76Å; W370-M406 HydrophobicContact CH2-SD 4.01Å; W370-M406 HydrophobicContact CZ3-SD 4.06Å; F402-M406 HydrophobicContact CD2-CG 4.38Å; F402-M406 HydrophobicContact CE1-CG 4.04Å; F402-M406 HydrophobicContact CE2-CG 3.9Å; F402-M406 HydrophobicContact CE2-SD 3.95Å; F402-M406 HydrophobicContact CZ-CE 4.48Å; F402-M406 HydrophobicContact CZ-CG 3.7Å; F402-M406 HydrophobicContact CZ-SD 3.87Å; F402-M406 WeakPolarHBondContact O-CG 3.38Å; F402-M406 PolarHBondContact O-N 3.47Å; L403-M406 WeakPolarHBondContact O-CB 3.47Å; L403-M406 PolarHBondContact O-N 2.9Å; L404-M406 VanDerWaalsContact C-N 3.27Å; L404-M406 PolarHBondContact O-N 3.45Å; M406-Q409 PolarHBondContact O-N 3.27Å
407V91.9Very high90Very high0 Ų036 Ų360%016%0.164CC..Hα-helixtrans-67.4-39.1175.3172.50000111.8I19 L20 F181 L185 L403 L404 Q409 Y410 D411 Y414I19-V407 HydrophobicContact CG2-CG1 4.21Å; I19-V407 HydrophobicContact CG2-CG2 4.25Å; L20-V407 HydrophobicContact CD2-CG2 3.83Å; F181-V407 HydrophobicContact CE1-CG2 3.61Å; F181-V407 HydrophobicContact CZ-CG2 3.97Å; L185-V407 HydrophobicContact CD2-CG1 3.9Å; L185-V407 HydrophobicContact CD2-CG2 3.77Å; L403-V407 WeakPolarHBondContact O-CG2 3.49Å; L403-V407 PolarHBondContact O-N 3.07Å; L404-V407 PolarHBondContact O-N 3.06Å; V407-Q409 PolarHBondContact O-N 3.46Å; V407-Y410 WeakPolarHBondContact O-CA 3.24Å; V407-Y410 WeakPolarHBondContact O-CB 3.4Å; V407-Y410 PolarHBondContact O-N 2.9Å; V407-D411 PolarHBondContact O-N 3.07Å; V407-Y414 VanDerWaalsContact CG1-CB 3.43Å; V407-Y414 HydrophobicContact CG1-CD2 4.45Å; V407-Y414 HydrophobicContact CG1-CG 4.1Å
408D90.1Very high90Very high26 Ų2630.8 Ų30.814%0.13914%0.142CC..Hα-helixtrans-64.4-28.6-180-16370.3000112.3Y379 L404 H405 Y410 Q412 S415Y379-D408 HydrophobicContact CE2-CB 4.49Å; L404-D408 WeakPolarHBondContact O-CB 3.49Å; L404-D408 PolarHBondContact O-N 3.4Å; H405-D408 PolarHBondContact O-N 3.18Å; D408-Y410 VanDerWaalsContact C-N 3.26Å; D408-Y410 PolarHBondContact O-N 3.02Å; D408-Q412 WeakPolarHBondContact OD1-CG 3.45Å; D408-Q412 PolarHBondContact OD2-NE2 3.49Å; D408-S415 PolarHBondContact OD1-OG 3.14Å; D408-S415 VanDerWaalsContact OD1-OG 3.05Å
409Q90.3Very high89.9Confident61 Ų6128.5 Ų28.529%0.28513%0.13SC..THydrogen-bonded Turntrans-71.8-19.7171.6-62.4-54.5-7600113.6P22 W24 W370 H405 M406 V407P22-Q409 HydrophobicContact CB-CB 4.23Å; P22-Q409 HydrophobicContact CG-CB 4.3Å; W24-Q409 HydrophobicContact CH2-CB 4.42Å; W24-Q409 HydrophobicContact CH2-CG 3.96Å; W370-Q409 HydrophobicContact CH2-CG 4.47Å; W370-Q409 HydrophobicContact CZ2-CG 3.8Å; H405-Q409 WeakPolarHBondContact O-CG 3.4Å; H405-Q409 PolarHBondContact O-N 2.7Å; M406-Q409 PolarHBondContact O-N 3.27Å; V407-Q409 PolarHBondContact O-N 3.46Å
410Y89.9Confident89.7Confident118 Ų11828.5 Ų28.546%0.46313%0.13SC..THydrogen-bonded Turntrans-86.7-58.2173.8-179.7-95.1000110.6I19 V407 D408 Y414I19-Y410 HydrophobicContact CB-CD1 4.43Å; I19-Y410 HydrophobicContact CG1-CE1 4.35Å; I19-Y410 HydrophobicContact CG2-CD1 3.96Å; I19-Y410 HydrophobicContact CG2-CE1 4.4Å; I19-Y410 HydrophobicContact CG2-CG 4.48Å; I19-Y410 VanDerWaalsContact O-CB 3.31Å; I19-Y410 WeakPolarHBondContact O-CB 3.47Å; V407-Y410 WeakPolarHBondContact O-CA 3.24Å; V407-Y410 WeakPolarHBondContact O-CB 3.4Å; V407-Y410 PolarHBondContact O-N 2.9Å; D408-Y410 VanDerWaalsContact C-N 3.26Å; D408-Y410 PolarHBondContact O-N 3.02Å; Y410-Y414 HydrophobicContact CD1-CE2 4.27Å; Y410-Y414 HydrophobicContact CE1-CE2 4.14Å
411D89.6Confident89.6Confident56 Ų5628.7 Ų28.730%0.29913%0.131SC..  trans-159.8125.8176.2-177.8-2.8000111.4V407 L413 Y414V407-D411 PolarHBondContact O-N 3.07Å; D411-L413 PolarHBondContact O-N 3.34Å; D411-L413 WeakPolarHBondContact OD1-CB 3.45Å; D411-L413 WeakPolarHBondContact OD1-CG 3.36Å; D411-L413 PolarHBondContact OD1-N 3.38Å; D411-Y414 HydrophobicContact CB-CD2 4.02Å; D411-Y414 HydrophobicContact CB-CE2 4.36Å; D411-Y414 PolarHBondContact O-N 3.14Å
412Q86.8Confident89.5Confident75 Ų7529.8 Ų29.835%0.3514%0.136SC..Hα-helixtrans-67.6-17.4180-52.7-159.6-40.300113.4D408 Y414 S415 K416D408-Q412 WeakPolarHBondContact OD1-CG 3.45Å; D408-Q412 PolarHBondContact OD2-NE2 3.49Å; Q412-Y414 VanDerWaalsContact C-N 3.25Å; Q412-Y414 PolarHBondContact O-N 2.95Å; Q412-S415 PolarHBondContact O-N 2.8Å; Q412-S415 PolarHBondContact O-OG 3.08Å; Q412-K416 WeakPolarHBondContact O-CG 3.39Å; Q412-K416 PolarHBondContact O-N 3.31Å; Q412-K416 VanDerWaalsContact O-N 3.1Å
413L87.2Confident89.3Confident90 Ų9029.8 Ų29.847%0.47114%0.136SC..Hα-helixtrans-64.5-31.7178.5-70.4172.6000112.5F189 D411 R417F189-L413 HydrophobicContact CE2-CB 4.48Å; D411-L413 PolarHBondContact O-N 3.34Å; D411-L413 WeakPolarHBondContact OD1-CB 3.45Å; D411-L413 WeakPolarHBondContact OD1-CG 3.36Å; D411-L413 PolarHBondContact OD1-N 3.38Å; L413-R417 PolarHBondContact O-N 3.14Å
414Y89.1Confident89Confident35 Ų3536.2 Ų36.214%0.13717%0.166CC..Hα-helixtrans-65.8-47176.8-79.3-78.9000111.7I19 L185 F189 V407 Y410 D411 Q412 F418I19-Y414 HydrophobicContact CD1-CE1 4.42Å; I19-Y414 HydrophobicContact CG2-CD2 4.42Å; I19-Y414 HydrophobicContact CG2-CE2 4.36Å; L185-Y414 HydrophobicContact CD1-CD1 4.13Å; L185-Y414 HydrophobicContact CD2-CD1 3.98Å; L185-Y414 HydrophobicContact CD2-CG 4.36Å; L185-Y414 HydrophobicContact CG-CD1 3.74Å; L185-Y414 HydrophobicContact CG-CE1 4.45Å; L185-Y414 HydrophobicContact CG-CG 4.46Å; F189-Y414 HydrophobicContact CB-CD1 4.03Å; F189-Y414 HydrophobicContact CB-CE1 3.78Å; F189-Y414 HydrophobicContact CD1-CE1 4.31Å; F189-Y414 AromaticContact CD2-CD1 3.72Å; F189-Y414 HydrophobicContact CD2-CD1 3.72Å; F189-Y414 AromaticContact CD2-CE1 3.63Å; F189-Y414 HydrophobicContact CD2-CE1 3.63Å; F189-Y414 HydrophobicContact CD2-CG 4.29Å; F189-Y414 HydrophobicContact CE2-CE1 4.31Å; F189-Y414 HydrophobicContact CG-CD1 4.06Å; F189-Y414 AromaticContact CG-CE1 3.64Å; F189-Y414 HydrophobicContact CG-CE1 3.64Å; V407-Y414 VanDerWaalsContact CG1-CB 3.43Å; V407-Y414 HydrophobicContact CG1-CD2 4.45Å; V407-Y414 HydrophobicContact CG1-CG 4.1Å; Y410-Y414 HydrophobicContact CD1-CE2 4.27Å; Y410-Y414 HydrophobicContact CE1-CE2 4.14Å; D411-Y414 HydrophobicContact CB-CD2 4.02Å; D411-Y414 HydrophobicContact CB-CE2 4.36Å; D411-Y414 PolarHBondContact O-N 3.14Å; Q412-Y414 VanDerWaalsContact C-N 3.25Å; Q412-Y414 PolarHBondContact O-N 2.95Å; Y414-F418 WeakPolarHBondContact O-CB 3.37Å; Y414-F418 PolarHBondContact O-N 3.06Å
415S87.6Confident88.8Confident2 Ų239.5 Ų39.51%0.01419%0.186CC..Hα-helixtrans-65.6-39.6178.960.30000111.2Y379 D408 Q412 F418 G419Y379-S415 WeakPolarHBondContact OH-CB 3.42Å; Y379-S415 PolarHBondContact OH-OG 3.49Å; D408-S415 PolarHBondContact OD1-OG 3.14Å; D408-S415 VanDerWaalsContact OD1-OG 3.05Å; Q412-S415 PolarHBondContact O-N 2.8Å; Q412-S415 PolarHBondContact O-OG 3.08Å; S415-F418 PolarHBondContact O-N 3.05Å; S415-G419 PolarHBondContact O-N 2.86Å
416K86.1Confident88.6Confident50 Ų5038.1 Ų38.122%0.21718%0.18CC..Hα-helixtrans-58.5-54.6173.8-75180174.2-163.10112.9V384 E387 Q412 F418 G419V384-K416 HydrophobicContact CG2-CG 4.06Å; E387-K416 IonicContact OE1-NZ 2.75Å; E387-K416 WeakPolarHBondContact OE2-CE 3.35Å; E387-K416 IonicContact OE2-NZ 2.98Å; E387-K416 PolarHBondContact OE2-NZ 3.5Å; Q412-K416 WeakPolarHBondContact O-CG 3.39Å; Q412-K416 PolarHBondContact O-N 3.31Å; Q412-K416 VanDerWaalsContact O-N 3.1Å; K416-F418 VanDerWaalsContact C-N 3.31Å; K416-F418 PolarHBondContact O-N 3.01Å; K416-G419 PolarHBondContact O-N 3.01Å
417R88.8Confident88.5Confident57 Ų5739.2 Ų39.222%0.21519%0.185CC..Hα-helixtrans-65.7-36.5-179.7-73.9-173.6175.8-163.3-4.3112.3F189 T194 T195 L198 L413F189-R417 PolarHBondContact O-NH1 3.42Å; T194-R417 HydrophobicContact CG2-CB 4.3Å; T195-R417 PolarHBondContact OG1-NH2 2.93Å; L198-R417 HydrophobicContact CD1-CG 4.18Å; L413-R417 PolarHBondContact O-N 3.14Å
418F90.5Very high88.1Confident0 Ų041.1 Ų41.10%020%0.195CC..Hα-helixtrans-65.9-40177.3-173.1-86.6000112I184 L185 C188 V276 F400 L404 Y414 S415 K416 I420 F421 L422I184-F418 HydrophobicContact CG2-CE2 3.93Å; L185-F418 HydrophobicContact CD1-CB 4.08Å; L185-F418 HydrophobicContact CD1-CD2 3.81Å; L185-F418 HydrophobicContact CD1-CG 4.19Å; C188-F418 HydrophobicContact CB-CD2 4.26Å; V276-F418 HydrophobicContact CG1-CE1 4.43Å; V276-F418 HydrophobicContact CG1-CE2 4.46Å; V276-F418 HydrophobicContact CG1-CZ 3.85Å; V276-F418 HydrophobicContact CG2-CE2 4.22Å; V276-F418 HydrophobicContact CG2-CZ 4.4Å; F400-F418 AromaticContact CE1-CE1 4Å; F400-F418 HydrophobicContact CE1-CE1 4Å; F400-F418 HydrophobicContact CE1-CZ 4.49Å; F400-F418 HydrophobicContact CE2-CE1 4.42Å; F400-F418 HydrophobicContact CE2-CZ 4.11Å; F400-F418 AromaticContact CZ-CE1 3.41Å; F400-F418 HydrophobicContact CZ-CE1 3.41Å; F400-F418 VanDerWaalsContact CZ-CE1 3.41Å; F400-F418 AromaticContact CZ-CZ 3.5Å; F400-F418 HydrophobicContact CZ-CZ 3.5Å; F400-F418 VanDerWaalsContact CZ-CZ 3.5Å; L404-F418 HydrophobicContact CD2-CD1 4.24Å; Y414-F418 WeakPolarHBondContact O-CB 3.37Å; Y414-F418 PolarHBondContact O-N 3.06Å; S415-F418 PolarHBondContact O-N 3.05Å; K416-F418 VanDerWaalsContact C-N 3.31Å; K416-F418 PolarHBondContact O-N 3.01Å; F418-I420 PolarHBondContact O-N 3.11Å; F418-F421 PolarHBondContact O-N 3.48Å; F418-L422 HydrophobicContact CD1-CD1 4.15Å; F418-L422 HydrophobicContact CD1-CG 4.4Å; F418-L422 HydrophobicContact CE1-CD1 3.85Å; F418-L422 HydrophobicContact CE1-CD2 4.19Å; F418-L422 HydrophobicContact CE1-CG 3.97Å
419G87.3Confident87.8Confident0 Ų042.1 Ų42.10%020%0.198CC..Hα-helixtrans-56.8-32.9179.300000114.1S415 K416 F421 L422S415-G419 PolarHBondContact O-N 2.86Å; K416-G419 PolarHBondContact O-N 3.01Å; G419-F421 VanDerWaalsContact C-N 3.29Å; G419-F421 PolarHBondContact O-N 2.93Å; G419-L422 WeakPolarHBondContact O-CB 3.48Å; G419-L422 PolarHBondContact O-N 3.13Å
420I88Confident87.7Confident0 Ų039.5 Ų39.50%019%0.186CC..Hα-helixtrans-61.9-37.9176.9-57.5164.2000111.3T194 A197 L198 F418 L422 S423 S426T194-I420 HydrophobicContact CG2-CD1 4.36Å; A197-I420 HydrophobicContact CB-CG2 3.96Å; L198-I420 HydrophobicContact CD1-CD1 3.8Å; L198-I420 HydrophobicContact CD2-CD1 3.69Å; L198-I420 HydrophobicContact CD2-CG1 4.38Å; L198-I420 HydrophobicContact CG-CD1 3.42Å; L198-I420 VanDerWaalsContact CG-CD1 3.42Å; F418-I420 PolarHBondContact O-N 3.11Å; I420-L422 PolarHBondContact O-N 3.39Å; I420-S423 WeakPolarHBondContact O-CB 3.45Å; I420-S423 PolarHBondContact O-N 3.23Å; I420-S423 VanDerWaalsContact O-N 3.16Å; I420-S426 WeakPolarHBondContact CG2-OG 3.43Å; I420-S426 WeakPolarHBondContact O-CB 3.43Å
421F89.4Confident87.5Confident5 Ų538.8 Ų38.82%0.02218%0.183CC..THydrogen-bonded Turntrans-73.4-5.3177.5-75.8-72.9000113.8C188 W193 T194 A269 L272 F273 V276 F418 G419C188-F421 HydrophobicContact CB-CD2 3.82Å; C188-F421 HydrophobicContact CB-CE2 3.85Å; C188-F421 VanDerWaalsContact SG-CD2 3.6Å; W193-F421 AromaticContact CD1-CE1 3.9Å; T194-F421 HydrophobicContact CG2-CD2 3.74Å; T194-F421 HydrophobicContact CG2-CE2 3.06Å; T194-F421 HydrophobicContact CG2-CZ 3.72Å; A269-F421 HydrophobicContact CB-CE1 4.27Å; L272-F421 HydrophobicContact CB-CE1 4.21Å; L272-F421 HydrophobicContact CD2-CD1 4.47Å; L272-F421 HydrophobicContact CD2-CD2 4.48Å; L272-F421 HydrophobicContact CD2-CE1 3.95Å; L272-F421 HydrophobicContact CD2-CE2 3.88Å; L272-F421 HydrophobicContact CD2-CZ 3.64Å; L272-F421 HydrophobicContact CG-CD1 4.44Å; L272-F421 HydrophobicContact CG-CE1 4.26Å; L272-F421 HydrophobicContact CG-CZ 4.42Å; F273-F421 HydrophobicContact CD1-CB 4.47Å; F273-F421 HydrophobicContact CD1-CD1 4.07Å; F273-F421 VanDerWaalsContact CD1-O 3.24Å; F273-F421 WeakPolarHBondContact CD1-O 3.31Å; F273-F421 AromaticContact CD2-CD1 3.71Å; F273-F421 HydrophobicContact CD2-CD1 3.71Å; F273-F421 AromaticContact CD2-CE1 3.96Å; F273-F421 HydrophobicContact CD2-CE1 3.96Å; F273-F421 VanDerWaalsContact CE1-CA 3.48Å; F273-F421 HydrophobicContact CE1-CB 4.34Å; F273-F421 AromaticContact CE1-CD1 3.98Å; F273-F421 HydrophobicContact CE1-CD1 3.98Å; F273-F421 WeakPolarHBondContact CE1-O 3.43Å; F273-F421 AromaticContact CE2-CD1 3.57Å; F273-F421 HydrophobicContact CE2-CD1 3.57Å; F273-F421 AromaticContact CE2-CE1 3.73Å; F273-F421 HydrophobicContact CE2-CE1 3.73Å; F273-F421 AromaticContact CG-CD1 3.94Å; F273-F421 HydrophobicContact CG-CD1 3.94Å; F273-F421 AromaticContact CZ-CD1 3.71Å; F273-F421 HydrophobicContact CZ-CD1 3.71Å; F273-F421 HydrophobicContact CZ-CE1 4.23Å; V276-F421 HydrophobicContact CG2-CB 4.23Å; F418-F421 PolarHBondContact O-N 3.48Å; G419-F421 VanDerWaalsContact C-N 3.29Å; G419-F421 PolarHBondContact O-N 2.93Å
422L88.6Confident87.2Confident22 Ų2240.3 Ų40.312%0.11519%0.188CC..THydrogen-bonded Turntrans-96.3-9.7171.7-64173.7000113V276 F381 I393 P394 V396 F418 G419 I420V276-L422 HydrophobicContact CG1-CD2 3.58Å; V276-L422 HydrophobicContact CG1-CG 4.39Å; F381-L422 HydrophobicContact CE2-CD1 3.69Å; F381-L422 HydrophobicContact CZ-CD1 3.76Å; I393-L422 HydrophobicContact CG2-CB 4.37Å; P394-L422 WeakPolarHBondContact CD-O 3.31Å; P394-L422 HydrophobicContact CG-CB 4.24Å; V396-L422 HydrophobicContact CG1-CD1 4.3Å; F418-L422 HydrophobicContact CD1-CD1 4.15Å; F418-L422 HydrophobicContact CD1-CG 4.4Å; F418-L422 HydrophobicContact CE1-CD1 3.85Å; F418-L422 HydrophobicContact CE1-CD2 4.19Å; F418-L422 HydrophobicContact CE1-CG 3.97Å; G419-L422 WeakPolarHBondContact O-CB 3.48Å; G419-L422 PolarHBondContact O-N 3.13Å; I420-L422 PolarHBondContact O-N 3.39Å
423S89.3Confident87Confident1 Ų138.8 Ų38.81%0.00718%0.182CC..  trans-84.2128.2179.9168.50000111.3D392 I420 V425 S426 E427D392-S423 WeakPolarHBondContact OD1-CB 3.11Å; D392-S423 PolarHBondContact OD1-OG 2.88Å; D392-S423 WeakPolarHBondContact OD2-CA 3.45Å; D392-S423 PolarHBondContact OD2-OG 2.89Å; I420-S423 WeakPolarHBondContact O-CB 3.45Å; I420-S423 PolarHBondContact O-N 3.23Å; I420-S423 VanDerWaalsContact O-N 3.16Å; S423-V425 PolarHBondContact OG-N 3.19Å; S423-S426 PolarHBondContact OG-N 2.8Å; S423-E427 PolarHBondContact O-N 3.47Å
424E86.6Confident87Confident134 Ų13435.9 Ų35.963%0.62617%0.169SC*.Hα-helixtrans-72.6-35.9173.5-176.3173.9-17300110.7D392 S426 E427 N428D392-E424 PolarHBondContact OD2-N 2.94Å; E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 2.64Å; E424-E427 WeakPolarHBondContact O-CB 3.48Å; E424-E427 PolarHBondContact O-N 2.84Å; E424-N428 PolarHBondContact O-N 2.92Å
425V85.6Confident86.9Confident69 Ų6934.6 Ų34.642%0.41817%0.165SC..Hα-helixtrans-61.7-41.5174.5177.40000110.7F390 D392 S423 N428 K429F390-V425 HydrophobicContact CD1-CB 4.26Å; F390-V425 HydrophobicContact CD1-CG1 4.17Å; F390-V425 HydrophobicContact CE1-CG1 4.19Å; D392-V425 HydrophobicContact CB-CG2 4.22Å; D392-V425 WeakPolarHBondContact OD2-CG2 3.35Å; D392-V425 PolarHBondContact OD2-N 2.91Å; S423-V425 PolarHBondContact OG-N 3.19Å; V425-N428 PolarHBondContact O-N 3.03Å; V425-K429 PolarHBondContact O-N 3.03Å
426S87.3Confident86.8Confident0 Ų036.4 Ų36.40%017%0.174CC..Hα-helixtrans-63.2-42.4173.7-170.70000111.9W193 I420 S423 E424 N428 K429 L430W193-S426 WeakPolarHBondContact CZ2-O 3.44Å; W193-S426 PolarHBondContact NE1-OG 3.33Å; I420-S426 WeakPolarHBondContact CG2-OG 3.43Å; I420-S426 WeakPolarHBondContact O-CB 3.43Å; S423-S426 PolarHBondContact OG-N 2.8Å; E424-S426 VanDerWaalsContact C-N 3.31Å; E424-S426 PolarHBondContact O-N 2.64Å; S426-N428 VanDerWaalsContact C-N 3.33Å; S426-N428 PolarHBondContact O-N 3.13Å; S426-K429 PolarHBondContact O-N 3.21Å; S426-L430 PolarHBondContact O-N 3.47Å
427E87.8Confident86.7Confident22 Ų2238.2 Ų38.210%0.10318%0.183CC..Hα-helixtrans-61.4-41.1175.9-170.6178.2168.800111.7F273 R277 S423 E424 L430 R431F273-E427 HydrophobicContact CD1-CB 3.97Å; F273-E427 HydrophobicContact CD1-CG 4.19Å; F273-E427 HydrophobicContact CD2-CG 4.45Å; F273-E427 HydrophobicContact CE1-CB 3.84Å; F273-E427 HydrophobicContact CE1-CG 4.49Å; F273-E427 HydrophobicContact CG-CB 4.41Å; F273-E427 HydrophobicContact CG-CG 4.18Å; F273-E427 HydrophobicContact CZ-CB 4.2Å; R277-E427 IonicContact CZ-OE2 3.91Å; R277-E427 IonicContact NH2-OE1 2.65Å; R277-E427 PolarHBondContact NH2-OE1 2.65Å; R277-E427 IonicContact NH2-OE2 2.76Å; R277-E427 PolarHBondContact NH2-OE2 2.89Å; S423-E427 PolarHBondContact O-N 3.47Å; E424-E427 WeakPolarHBondContact O-CB 3.48Å; E424-E427 PolarHBondContact O-N 2.84Å; E427-L430 WeakPolarHBondContact O-CB 3.44Å; E427-L430 PolarHBondContact O-N 3.46Å; E427-R431 WeakPolarHBondContact O-CG 3.36Å; E427-R431 PolarHBondContact O-N 3.4Å; E427-R431 IonicContact OE1-CZ 3.76Å; E427-R431 IonicContact OE1-NE 3.77Å; E427-R431 PolarHBondContact OE1-NE 3.47Å; E427-R431 IonicContact OE1-NH2 2.89Å; E427-R431 PolarHBondContact OE1-NH2 2.96Å
428N84.8Confident86.6Confident41 Ų4139.2 Ų39.222%0.21919%0.19CC..Hα-helixtrans-67-42.3176.9-72.9-19.8000112.1E424 V425 S426 L430 R431 E432E424-N428 PolarHBondContact O-N 2.92Å; V425-N428 PolarHBondContact O-N 3.03Å; S426-N428 VanDerWaalsContact C-N 3.33Å; S426-N428 PolarHBondContact O-N 3.13Å; N428-L430 VanDerWaalsContact C-N 3.31Å; N428-L430 PolarHBondContact O-N 3.16Å; N428-R431 PolarHBondContact O-N 3.31Å; N428-E432 PolarHBondContact O-N 2.81Å
429K84Confident86.5Confident47 Ų4741 Ų4120%0.20420%0.197CC..Hα-helixtrans-58-42.7171.6-78.1-170.5173.5-170.70111.3W193 E204 F390 V425 S426 E432 I433W193-K429 HydrophobicContact CH2-CB 4.27Å; W193-K429 HydrophobicContact CZ2-CB 4.49Å; E204-K429 IonicContact OE1-NZ 3.93Å; E204-K429 PolarHBondContact OE1-NZ 2.93Å; E204-K429 IonicContact OE2-NZ 3.69Å; F390-K429 HydrophobicContact CE1-CD 4.28Å; F390-K429 HydrophobicContact CZ-CD 4.46Å; V425-K429 PolarHBondContact O-N 3.03Å; S426-K429 PolarHBondContact O-N 3.21Å; K429-E432 PolarHBondContact O-N 3.32Å; K429-I433 WeakPolarHBondContact O-CG1 3.25Å; K429-I433 PolarHBondContact O-N 3.46Å
430L87.3Confident86.7Confident6 Ų644.5 Ų44.53%0.03122%0.218CC..Hα-helixtrans-62.4-44.5175.9179.163.7000111.7W193 L261 A269 K270 F273 S426 E427 N428 E432 I433 S434W193-L430 HydrophobicContact CD2-CB 4.46Å; W193-L430 HydrophobicContact CD2-CD1 3.82Å; W193-L430 HydrophobicContact CE3-CD1 3.61Å; W193-L430 HydrophobicContact CG-CD1 4.48Å; W193-L430 HydrophobicContact CH2-CB 3.78Å; W193-L430 HydrophobicContact CH2-CD1 4.15Å; W193-L430 HydrophobicContact CZ2-CB 3.58Å; W193-L430 HydrophobicContact CZ2-CD1 4.35Å; W193-L430 HydrophobicContact CZ2-CG 4.49Å; W193-L430 HydrophobicContact CZ3-CB 4.3Å; W193-L430 HydrophobicContact CZ3-CD1 3.77Å; L261-L430 HydrophobicContact CD2-CD1 3.81Å; A269-L430 HydrophobicContact CB-CD1 4.4Å; A269-L430 HydrophobicContact CB-CD2 3.62Å; K270-L430 HydrophobicContact CB-CD2 4.46Å; F273-L430 HydrophobicContact CD2-CD2 3.88Å; F273-L430 HydrophobicContact CE2-CD2 3.67Å; S426-L430 PolarHBondContact O-N 3.47Å; E427-L430 WeakPolarHBondContact O-CB 3.44Å; E427-L430 PolarHBondContact O-N 3.46Å; N428-L430 VanDerWaalsContact C-N 3.31Å; N428-L430 PolarHBondContact O-N 3.16Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 2.8Å; L430-I433 PolarHBondContact O-N 2.94Å; L430-S434 WeakPolarHBondContact O-CB 3.48Å; L430-S434 PolarHBondContact O-N 3.44Å
431R85.3Confident86.8Confident102 Ų10248 Ų4839%0.38523%0.234SC..Hα-helixtrans-60.9-40.9177.4-72.6172.4-176.8-170.92.6111.6E427 N428 S434 L435E427-R431 WeakPolarHBondContact O-CG 3.36Å; E427-R431 PolarHBondContact O-N 3.4Å; E427-R431 IonicContact OE1-CZ 3.76Å; E427-R431 IonicContact OE1-NE 3.77Å; E427-R431 PolarHBondContact OE1-NE 3.47Å; E427-R431 IonicContact OE1-NH2 2.89Å; E427-R431 PolarHBondContact OE1-NH2 2.96Å; N428-R431 PolarHBondContact O-N 3.31Å; R431-S434 PolarHBondContact O-N 2.97Å; R431-L435 VanDerWaalsContact O-CB 3.26Å; R431-L435 WeakPolarHBondContact O-CB 3.43Å; R431-L435 PolarHBondContact O-N 2.85Å
432E83.4Confident86.8Confident88 Ų8853.4 Ų53.441%0.41126%0.259SS..Hα-helixtrans-63.1-47.9176.7-169.5-171.3154.500111.9N428 K429 L430 S434 L435 N436N428-E432 PolarHBondContact O-N 2.81Å; K429-E432 PolarHBondContact O-N 3.32Å; L430-E432 VanDerWaalsContact C-N 3.32Å; L430-E432 PolarHBondContact O-N 2.8Å; E432-S434 VanDerWaalsContact C-N 3.34Å; E432-S434 PolarHBondContact O-N 3.01Å; E432-L435 WeakPolarHBondContact O-CB 3.41Å; E432-L435 PolarHBondContact O-N 3.44Å; E432-N436 VanDerWaalsContact O-CG 3.29Å; E432-N436 PolarHBondContact O-N 3.27Å; E432-N436 PolarHBondContact O-ND2 3.11Å; E432-N436 VanDerWaalsContact O-ND2 3.14Å
433I83.8Confident87Confident44 Ų4456 Ų5623%0.22627%0.269CS..Hα-helixtrans-63.1-42.9177.9-68165.8000110.8W193 K429 L430 L435 N436 H437W193-I433 HydrophobicContact CH2-CD1 3.88Å; W193-I433 HydrophobicContact CZ3-CD1 3.68Å; K429-I433 WeakPolarHBondContact O-CG1 3.25Å; K429-I433 PolarHBondContact O-N 3.46Å; L430-I433 PolarHBondContact O-N 2.94Å; I433-L435 VanDerWaalsContact C-N 3.34Å; I433-L435 PolarHBondContact O-N 2.88Å; I433-N436 PolarHBondContact O-N 3.5Å; I433-H437 PolarHBondContact O-N 3.33Å
434S85.8Confident87.1Confident28 Ų2855.9 Ų55.920%0.19627%0.269CS..Hα-helixtrans-61.2-43.9176.2-168.90000111.3L430 R431 E432 N436 H437 E438L430-S434 WeakPolarHBondContact O-CB 3.48Å; L430-S434 PolarHBondContact O-N 3.44Å; R431-S434 PolarHBondContact O-N 2.97Å; E432-S434 VanDerWaalsContact C-N 3.34Å; E432-S434 PolarHBondContact O-N 3.01Å; S434-N436 PolarHBondContact O-N 3.18Å; S434-H437 PolarHBondContact O-N 3.19Å; S434-E438 WeakPolarHBondContact O-CG 3.39Å; S434-E438 PolarHBondContact O-N 3.38Å
435L87.2Confident87.4Confident9 Ų955.2 Ų55.25%0.04726%0.264CS..Hα-helixtrans-60.9-45.5177.4-176.476000111.1R431 E432 I433 H437 E438 W439 L463 G465 P467R431-L435 VanDerWaalsContact O-CB 3.26Å; R431-L435 WeakPolarHBondContact O-CB 3.43Å; R431-L435 PolarHBondContact O-N 2.85Å; E432-L435 WeakPolarHBondContact O-CB 3.41Å; E432-L435 PolarHBondContact O-N 3.44Å; I433-L435 VanDerWaalsContact C-N 3.34Å; I433-L435 PolarHBondContact O-N 2.88Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.36Å; L435-E438 PolarHBondContact O-N 3.44Å; L435-W439 WeakPolarHBondContact O-CB 3.17Å; L435-W439 PolarHBondContact O-N 2.94Å; L435-L463 HydrophobicContact CD1-CB 4.34Å; L435-L463 HydrophobicContact CD1-CD2 4.33Å; L435-G465 VanDerWaalsContact CD2-C 3.46Å; L435-G465 VanDerWaalsContact CD2-O 3.31Å; L435-G465 WeakPolarHBondContact CD2-O 3.44Å; L435-P467 HydrophobicContact CD1-CG 4.43Å; L435-P467 HydrophobicContact CD2-CB 4.45Å; L435-P467 HydrophobicContact CD2-CG 3.92Å; L435-P467 HydrophobicContact CG-CB 4.43Å; L435-P467 HydrophobicContact CG-CG 3.97Å
436N86.2Confident87.6Confident40 Ų4059.4 Ų59.421%0.21428%0.279CS..Hα-helixtrans-63.4-32.1177.6-70.9-34.2000112.7E432 I433 S434 P467 N468E432-N436 VanDerWaalsContact O-CG 3.29Å; E432-N436 PolarHBondContact O-N 3.27Å; E432-N436 PolarHBondContact O-ND2 3.11Å; E432-N436 VanDerWaalsContact O-ND2 3.14Å; I433-N436 PolarHBondContact O-N 3.5Å; S434-N436 PolarHBondContact O-N 3.18Å; N436-P467 WeakPolarHBondContact OD1-CA 3.47Å; N436-N468 PolarHBondContact ND2-ND2 3Å; N436-N468 PolarHBondContact OD1-N 3.16Å
437H84.9Confident87.9Confident87 Ų8763.9 Ų63.940%0.40330%0.3SS..Hα-helixtrans-75.1-35.9175.3-16778.4000112.4I433 S434 L435I433-H437 PolarHBondContact O-N 3.33Å; S434-H437 PolarHBondContact O-N 3.19Å; L435-H437 VanDerWaalsContact C-N 3.27Å; L435-H437 PolarHBondContact O-N 3.36Å
438E85.8Confident88.1Confident78 Ų7864.5 Ų64.536%0.36431%0.305SS..Hα-helixtrans-75.2-29.4178-74.6-178.4-173.900113.9S434 L435 K443S434-E438 WeakPolarHBondContact O-CG 3.39Å; S434-E438 PolarHBondContact O-N 3.38Å; L435-E438 PolarHBondContact O-N 3.44Å; E438-K443 VanDerWaalsContact O-CD 3.25Å; E438-K443 WeakPolarHBondContact O-CD 3.38Å; E438-K443 PolarHBondContact O-NZ 3.37Å
439W89.2Confident88.5Confident39 Ų3966 Ų6615%0.14832%0.315CS..SBendtrans-112.977.8-177.3-69.594.5000110.7L435 K443 L444 H447 L463 P467 A469L435-W439 WeakPolarHBondContact O-CB 3.17Å; L435-W439 PolarHBondContact O-N 2.94Å; W439-K443 HydrophobicContact CE3-CD 4.13Å; W439-K443 HydrophobicContact CE3-CG 4.36Å; W439-K443 HydrophobicContact CZ3-CD 4.41Å; W439-K443 HydrophobicContact CZ3-CG 4.45Å; W439-L444 HydrophobicContact CD2-CD2 4.42Å; W439-L444 HydrophobicContact CE3-CD2 3.61Å; W439-L444 HydrophobicContact CE3-CG 4.22Å; W439-L444 HydrophobicContact CZ3-CD2 4.21Å; W439-H447 AromaticContact CZ3-CD2 3.87Å; W439-L463 HydrophobicContact CZ2-CD2 3.72Å; W439-P467 HydrophobicContact CB-CB 3.81Å; W439-P467 HydrophobicContact CB-CG 3.79Å; W439-P467 HydrophobicContact CG-CG 3.97Å; W439-A469 WeakPolarHBondContact O-CB 3.48Å
440T90.4Very high88.9Confident72 Ų7271.3 Ų71.344%0.44233%0.334SS..  trans-76.5160.8173.261.30000111.5E442 K443 L444T440-E442 VanDerWaalsContact C-N 3.32Å; T440-E442 PolarHBondContact O-N 2.84Å; T440-K443 PolarHBondContact O-N 3.14Å; T440-K443 VanDerWaalsContact O-N 3.14Å; T440-L444 PolarHBondContact O-N 2.92Å
441F89.5Confident89Confident75 Ų7572.4 Ų72.433%0.32934%0.34SS..Hα-helixtrans-50.1-48.2177.1176.6-97.1000113.1K443 L444 K445 D472 L473F441-K443 VanDerWaalsContact C-N 3.34Å; F441-K443 PolarHBondContact O-N 3.35Å; F441-L444 PolarHBondContact O-N 3.37Å; F441-K445 HydrophobicContact CE1-CD 4.21Å; F441-K445 WeakPolarHBondContact O-CB 3.32Å; F441-K445 PolarHBondContact O-N 2.82Å; F441-D472 HydrophobicContact CD2-CB 3.91Å; F441-D472 HydrophobicContact CE2-CB 4.26Å; F441-L473 HydrophobicContact CD2-CD2 3.99Å; F441-L473 HydrophobicContact CD2-CG 4.47Å; F441-L473 HydrophobicContact CE2-CD2 3.54Å; F441-L473 HydrophobicContact CE2-CG 4.25Å; F441-L473 HydrophobicContact CZ-CD2 4.17Å
442E91.1Very high89Confident118 Ų11872.8 Ų72.855%0.55137%0.365SS*.Hα-helixtrans-61.7-40.8-179.6-69.5-58.6146.400112.6T440 K445 Q446T440-E442 VanDerWaalsContact C-N 3.32Å; T440-E442 PolarHBondContact O-N 2.84Å; E442-K445 PolarHBondContact O-N 3.31Å; E442-Q446 WeakPolarHBondContact O-CG 3.18Å; E442-Q446 PolarHBondContact O-N 3.11Å
443K91.8Very high89.2Confident75 Ų7575.7 Ų75.733%0.32638%0.378SS..Hα-helixtrans-67-43.1177.7-171.8-178175.6-170.80110.8E438 W439 T440 F441 K445 Q446 H447E438-K443 VanDerWaalsContact O-CD 3.25Å; E438-K443 WeakPolarHBondContact O-CD 3.38Å; E438-K443 PolarHBondContact O-NZ 3.37Å; W439-K443 HydrophobicContact CE3-CD 4.13Å; W439-K443 HydrophobicContact CE3-CG 4.36Å; W439-K443 HydrophobicContact CZ3-CD 4.41Å; W439-K443 HydrophobicContact CZ3-CG 4.45Å; T440-K443 PolarHBondContact O-N 3.14Å; T440-K443 VanDerWaalsContact O-N 3.14Å; F441-K443 VanDerWaalsContact C-N 3.34Å; F441-K443 PolarHBondContact O-N 3.35Å; K443-K445 VanDerWaalsContact C-N 3.33Å; K443-K445 PolarHBondContact O-N 3.49Å; K443-Q446 PolarHBondContact O-N 3.3Å; K443-H447 PolarHBondContact O-CD2 3.4Å; K443-H447 VanDerWaalsContact O-CD2 3.28Å
444L92.5Very high89.4Confident0 Ų078.6 Ų78.60%039%0.394CS..Hα-helixtrans-62.5-41176.6-71.9168.4000111.8W439 T440 F441 Q446 H447 V448 L458 L460 A469 V470 L473W439-L444 HydrophobicContact CD2-CD2 4.42Å; W439-L444 HydrophobicContact CE3-CD2 3.61Å; W439-L444 HydrophobicContact CE3-CG 4.22Å; W439-L444 HydrophobicContact CZ3-CD2 4.21Å; T440-L444 PolarHBondContact O-N 2.92Å; F441-L444 PolarHBondContact O-N 3.37Å; L444-Q446 VanDerWaalsContact C-N 3.26Å; L444-Q446 PolarHBondContact O-N 3.12Å; L444-H447 WeakPolarHBondContact O-CA 3.37Å; L444-H447 PolarHBondContact O-N 3.32Å; L444-V448 PolarHBondContact O-N 3.42Å; L444-L458 HydrophobicContact CD2-CD2 4.37Å; L444-L460 HydrophobicContact CD2-CD2 4Å; L444-A469 HydrophobicContact CD1-CB 3.67Å; L444-V470 HydrophobicContact CD1-CB 4.47Å; L444-V470 HydrophobicContact CD1-CG2 3.72Å; L444-V470 HydrophobicContact CD2-CG2 4.07Å; L444-L473 HydrophobicContact CB-CD1 4.13Å
445K91.2Very high89.5Confident120 Ų12078.3 Ų78.352%0.52239%0.39SS..Hα-helixtrans-59.7-34.3177.6-170175.5-179.2177.80112.9F441 E442 K443 H447 V448F441-K445 HydrophobicContact CE1-CD 4.21Å; F441-K445 WeakPolarHBondContact O-CB 3.32Å; F441-K445 PolarHBondContact O-N 2.82Å; E442-K445 PolarHBondContact O-N 3.31Å; K443-K445 VanDerWaalsContact C-N 3.33Å; K443-K445 PolarHBondContact O-N 3.49Å; K445-H447 PolarHBondContact O-N 2.95Å; K445-V448 PolarHBondContact O-N 3.06Å
446Q91.7Very high89.8Confident157 Ų15780.6 Ų80.673%0.73440%0.4SS*.Hα-helixtrans-67-23.7174.4-68.9174.30.400113.4E442 K443 L444E442-Q446 WeakPolarHBondContact O-CG 3.18Å; E442-Q446 PolarHBondContact O-N 3.11Å; K443-Q446 PolarHBondContact O-N 3.3Å; L444-Q446 VanDerWaalsContact C-N 3.26Å; L444-Q446 PolarHBondContact O-N 3.12Å
447H91.9Very high90.2Very high94 Ų9480.1 Ų80.144%0.43540%0.397SS..THydrogen-bonded Turntrans-93.50.2178.5-75.4-77.3000113.5W439 K443 L444 K445 T449 L458W439-H447 AromaticContact CZ3-CD2 3.87Å; K443-H447 PolarHBondContact O-CD2 3.4Å; K443-H447 VanDerWaalsContact O-CD2 3.28Å; L444-H447 WeakPolarHBondContact O-CA 3.37Å; L444-H447 PolarHBondContact O-N 3.32Å; K445-H447 PolarHBondContact O-N 2.95Å; H447-T449 PolarHBondContact O-N 3.34Å; H447-L458 HydrophobicContact CB-CD1 4.04Å
448V93.3Very high90.7Very high35 Ų3576 Ų7621%0.21238%0.377CS..EExtended strand (participates in β ladder)trans-76.1120.9173.9178.90000109.2L444 K445 Q456 E457 L458 L473 L476L444-V448 PolarHBondContact O-N 3.42Å; K445-V448 PolarHBondContact O-N 3.06Å; V448-Q456 HydrophobicContact CG1-CB 4Å; V448-Q456 HydrophobicContact CG1-CG 4.42Å; V448-E457 WeakPolarHBondContact CA-O 3.47Å; V448-L458 HydrophobicContact CG2-CD1 4.28Å; V448-L473 HydrophobicContact CG2-CD1 4.37Å; V448-L476 HydrophobicContact CG1-CD1 4.32Å
449T93.4Very high91.2Very high71 Ų7176.4 Ų76.444%0.43638%0.379SS..EExtended strand (participates in β ladder)trans-110.2166.5176.853.10000110.7H447 E457H447-T449 PolarHBondContact O-N 3.34Å; T449-E457 PolarHBondContact N-O 3.22Å; T449-E457 PolarHBondContact O-N 3.41Å; T449-E457 WeakPolarHBondContact OG1-CG 3.17Å; T449-E457 PolarHBondContact OG1-OE1 2.91Å; T449-E457 VanDerWaalsContact OG1-OE1 3.13Å
450R92.3Very high91.4Very high160 Ų16074.8 Ų74.860%0.60437%0.374SS*.EExtended strand (participates in β ladder)trans-105.7128.7170.8-79.2-179.1167.7-162.25.9109.9D454 Q455R450-D454 WeakPolarHBondContact CD-OD1 3.29Å; R450-D454 IonicContact CZ-OD1 2.8Å; R450-D454 IonicContact NE-OD1 3.55Å; R450-D454 IonicContact NH1-OD1 3.6Å; R450-D454 PolarHBondContact NH1-OD1 3.33Å; R450-D454 IonicContact NH1-OD2 3.67Å; R450-Q455 WeakPolarHBondContact CA-O 3.37Å
451N88.4Confident91.6Very high28 Ų2875.9 Ų75.915%0.1537%0.372CS..  trans-78.8175.5178.675.89.9000111.6H453 D454 Q455 E457N451-H453 PolarHBondContact O-N 3.44Å; N451-H453 VanDerWaalsContact O-N 3.08Å; N451-H453 VanDerWaalsContact OD1-C 3.29Å; N451-H453 WeakPolarHBondContact OD1-CA 3Å; N451-H453 WeakPolarHBondContact OD1-CB 3.47Å; N451-H453 PolarHBondContact OD1-N 3.25Å; N451-D454 PolarHBondContact O-N 3.48Å; N451-D454 PolarHBondContact OD1-N 3.26Å; N451-Q455 PolarHBondContact N-O 3.19Å; N451-Q455 PolarHBondContact ND2-OE1 3.23Å; N451-Q455 WeakPolarHBondContact OD1-CB 3.5Å; N451-Q455 PolarHBondContact OD1-N 3.03Å; N451-E457 HydrophobicContact CB-CG 4.45Å
452A85.5Confident91.6Very high111 Ų11178.2 Ų78.292%0.91739%0.386SS*.THydrogen-bonded Turntrans-62.8-14178.900000114.7
453H86.4Confident91.6Very high148 Ų14873.6 Ų73.669%0.68537%0.365SS*.THydrogen-bonded Turntrans-98.913.8175.1-56.794.9000112.2N451 Q455N451-H453 PolarHBondContact O-N 3.44Å; N451-H453 VanDerWaalsContact O-N 3.08Å; N451-H453 VanDerWaalsContact OD1-C 3.29Å; N451-H453 WeakPolarHBondContact OD1-CA 3Å; N451-H453 WeakPolarHBondContact OD1-CB 3.47Å; N451-H453 PolarHBondContact OD1-N 3.25Å; H453-Q455 HydrophobicContact CB-CG 4.12Å; H453-Q455 PolarHBondContact O-N 3.47Å
454D88.2Confident91.3Very high105 Ų10573 Ų7356%0.56137%0.37SS*.SBendtrans60.722.3-177.1-158.837.6000114.8R450 N451R450-D454 WeakPolarHBondContact CD-OD1 3.29Å; R450-D454 IonicContact CZ-OD1 2.8Å; R450-D454 IonicContact NE-OD1 3.55Å; R450-D454 IonicContact NH1-OD1 3.6Å; R450-D454 PolarHBondContact NH1-OD1 3.33Å; R450-D454 IonicContact NH1-OD2 3.67Å; N451-D454 PolarHBondContact O-N 3.48Å; N451-D454 PolarHBondContact OD1-N 3.26Å
455Q89.4Confident91.1Very high22 Ų2273.5 Ų73.510%0.10338%0.375CS..  trans-89.5143.3176.7-48.2-177-82.300110.8R450 N451 H453 E457 E477 V478R450-Q455 WeakPolarHBondContact CA-O 3.37Å; N451-Q455 PolarHBondContact N-O 3.19Å; N451-Q455 PolarHBondContact ND2-OE1 3.23Å; N451-Q455 WeakPolarHBondContact OD1-CB 3.5Å; N451-Q455 PolarHBondContact OD1-N 3.03Å; H453-Q455 HydrophobicContact CB-CG 4.12Å; H453-Q455 PolarHBondContact O-N 3.47Å; Q455-E457 PolarHBondContact O-N 2.72Å; Q455-E477 HydrophobicContact CB-CB 4.2Å; Q455-E477 WeakPolarHBondContact CB-OE2 3.25Å; Q455-E477 VanDerWaalsContact CG-OE2 3.25Å; Q455-E477 WeakPolarHBondContact CG-OE2 3.34Å; Q455-E477 PolarHBondContact NE2-OE2 3.14Å; Q455-V478 HydrophobicContact CB-CG2 4.15Å
456Q93.4Very high91.1Very high57 Ų5768.3 Ų68.327%0.26635%0.353SS..EExtended strand (participates in β ladder)trans-71.8122.3172.4-65.1-169.910.500110.4V448 D475 L476 E477 V478V448-Q456 HydrophobicContact CG1-CB 4Å; V448-Q456 HydrophobicContact CG1-CG 4.42Å; Q456-D475 PolarHBondContact OE1-O 2.98Å; Q456-L476 HydrophobicContact CB-CD1 4.37Å; Q456-E477 PolarHBondContact O-N 3.11Å; Q456-E477 VanDerWaalsContact O-N 3.16Å; Q456-V478 PolarHBondContact O-N 2.92Å
457E94.7Very high91.1Very high30 Ų3060.9 Ų60.914%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-122.4145.6178.573.6177.9178.300111.9V448 T449 N451 Q455 V478 K480V448-E457 WeakPolarHBondContact CA-O 3.47Å; T449-E457 PolarHBondContact N-O 3.22Å; T449-E457 PolarHBondContact O-N 3.41Å; T449-E457 WeakPolarHBondContact OG1-CG 3.17Å; T449-E457 PolarHBondContact OG1-OE1 2.91Å; T449-E457 VanDerWaalsContact OG1-OE1 3.13Å; N451-E457 HydrophobicContact CB-CG 4.45Å; Q455-E457 PolarHBondContact O-N 2.72Å; E457-V478 VanDerWaalsContact CA-O 3.31Å; E457-V478 WeakPolarHBondContact CA-O 3.36Å; E457-V478 HydrophobicContact CB-CB 3.8Å; E457-V478 HydrophobicContact CB-CG1 4.21Å; E457-K480 WeakPolarHBondContact OE2-CE 3.43Å; E457-K480 IonicContact OE2-NZ 3.99Å; E457-K480 PolarHBondContact OE2-NZ 2.98Å
458L95.5Very high90.9Very high0 Ų058.5 Ų58.50%031%0.309CS..EExtended strand (participates in β ladder)trans-126.1123.6172.7178.968.1000107.9L444 H447 V448 L460 V470 L473 L476 V478 L479 K480L444-L458 HydrophobicContact CD2-CD2 4.37Å; H447-L458 HydrophobicContact CB-CD1 4.04Å; V448-L458 HydrophobicContact CG2-CD1 4.28Å; L458-L460 HydrophobicContact CD1-CD2 4.16Å; L458-L460 HydrophobicContact CD2-CD1 4.33Å; L458-L460 HydrophobicContact CD2-CD2 4.22Å; L458-L460 HydrophobicContact CD2-CG 4.26Å; L458-L460 HydrophobicContact CG-CD2 4.09Å; L458-L460 HydrophobicContact CG-CG 4.18Å; L458-V470 HydrophobicContact CD2-CG1 3.94Å; L458-V470 HydrophobicContact CD2-CG2 4.22Å; L458-L473 HydrophobicContact CD2-CD1 3.86Å; L458-L476 HydrophobicContact CB-CD1 3.68Å; L458-L476 HydrophobicContact CB-CD2 3.69Å; L458-L476 HydrophobicContact CB-CG 4.35Å; L458-L476 HydrophobicContact CD2-CD2 4.22Å; L458-V478 PolarHBondContact N-O 3.16Å; L458-L479 HydrophobicContact CB-CD1 4.33Å; L458-L479 HydrophobicContact CD2-CD1 4.11Å; L458-L479 HydrophobicContact CG-CD1 4.44Å; L458-K480 PolarHBondContact O-N 3.09Å
459H95.1Very high90.8Very high88 Ų8857.5 Ų57.541%0.40730%0.304SS..EExtended strand (participates in β ladder)trans-111.5119176-179.1-142.2000110.2K480 E482H459-K480 WeakPolarHBondContact CA-O 3.31Å; H459-K480 HydrophobicContact CB-CB 4.19Å; H459-E482 IonicContact CE1-OE2 3.33Å; H459-E482 PolarHBondContact CE1-OE2 3.17Å; H459-E482 IonicContact NE2-OE2 3.97Å; H459-E482 PolarHBondContact NE2-OE2 3.29Å
460L94.7Very high90.7Very high5 Ų554.1 Ų54.13%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-111.8128.9176.8-58.6-179.9000109.4L444 L458 L463 L466 V470 K480 L481 E482 I484L444-L460 HydrophobicContact CD2-CD2 4Å; L458-L460 HydrophobicContact CD1-CD2 4.16Å; L458-L460 HydrophobicContact CD2-CD1 4.33Å; L458-L460 HydrophobicContact CD2-CD2 4.22Å; L458-L460 HydrophobicContact CD2-CG 4.26Å; L458-L460 HydrophobicContact CG-CD2 4.09Å; L458-L460 HydrophobicContact CG-CG 4.18Å; L460-L463 HydrophobicContact CB-CD1 4.01Å; L460-L463 HydrophobicContact CD1-CD1 4.16Å; L460-L463 HydrophobicContact CD2-CD1 4.2Å; L460-L463 HydrophobicContact CG-CD1 4.35Å; L460-L466 HydrophobicContact CD1-CD1 3.91Å; L460-V470 HydrophobicContact CD1-CG2 3.77Å; L460-K480 PolarHBondContact N-O 3.17Å; L460-L481 HydrophobicContact CB-CD2 4.06Å; L460-L481 HydrophobicContact CD1-CD2 3.95Å; L460-L481 HydrophobicContact CG-CD2 4.33Å; L460-E482 PolarHBondContact O-N 3.35Å; L460-I484 HydrophobicContact CB-CD1 4.19Å
461F93.5Very high90.7Very high95 Ų9546.5 Ų46.542%0.41726%0.255SS..EExtended strand (participates in β ladder)trans-130.9130.9-171.6-178.5-108.4000111.4L463 E482 L483F461-L463 VanDerWaalsContact C-N 3.29Å; F461-L463 PolarHBondContact O-N 2.86Å; F461-E482 WeakPolarHBondContact CA-O 3.31Å; F461-E482 HydrophobicContact CD2-CB 3.9Å; F461-E482 HydrophobicContact CD2-CG 3.64Å; F461-E482 HydrophobicContact CE2-CG 3.83Å; F461-L483 HydrophobicContact CE2-CD1 3.66Å; F461-L483 HydrophobicContact CE2-CG 4.41Å; F461-L483 HydrophobicContact CZ-CD1 3.96Å
462M89.7Confident90.8Very high124 Ų12448.8 Ų48.861%0.61127%0.267SS*.SBendtrans53.337.8175.2-62.3-171.4-43.100115.1E482 L483M462-E482 PolarHBondContact N-O 2.63Å; M462-L483 HydrophobicContact CG-CB 4.12Å; M462-L483 HydrophobicContact CG-CD1 4.11Å
463L90.2Very high91Very high21 Ų2144.2 Ų44.211%0.1123%0.227CC..  trans-84.3152.4170.9-59.8-175.7000110.5L435 W439 L460 F461 G465 P467 I484 P485L435-L463 HydrophobicContact CD1-CB 4.34Å; L435-L463 HydrophobicContact CD1-CD2 4.33Å; W439-L463 HydrophobicContact CZ2-CD2 3.72Å; L460-L463 HydrophobicContact CB-CD1 4.01Å; L460-L463 HydrophobicContact CD1-CD1 4.16Å; L460-L463 HydrophobicContact CD2-CD1 4.2Å; L460-L463 HydrophobicContact CG-CD1 4.35Å; F461-L463 VanDerWaalsContact C-N 3.29Å; F461-L463 PolarHBondContact O-N 2.86Å; L463-G465 VanDerWaalsContact CB-O 3.31Å; L463-G465 WeakPolarHBondContact CB-O 3.21Å; L463-G465 PolarHBondContact O-N 3.33Å; L463-P467 HydrophobicContact CD1-CG 3.98Å; L463-I484 HydrophobicContact CB-CD1 4.28Å; L463-I484 HydrophobicContact CB-CG1 4.36Å; L463-P485 WeakPolarHBondContact O-CD 3.3Å
464S85.6Confident91.2Very high61 Ų6140.2 Ų40.243%0.42721%0.213SC..SBendtrans-69.2-18.1175.455.20000113.5
465G89.1Confident91.3Very high11 Ų1139.9 Ų39.911%0.11321%0.212CC..SBendtrans-168.8-171179.400000110.8L435 L463L435-G465 VanDerWaalsContact CD2-C 3.46Å; L435-G465 VanDerWaalsContact CD2-O 3.31Å; L435-G465 WeakPolarHBondContact CD2-O 3.44Å; L463-G465 VanDerWaalsContact CB-O 3.31Å; L463-G465 WeakPolarHBondContact CB-O 3.21Å; L463-G465 PolarHBondContact O-N 3.33Å
466L90.4Very high91.5Very high12 Ų1238.9 Ų38.96%0.06321%0.207CC..  trans-96.3118.1176.3-176.861.5000110.1L460 V470 F471 L481 V487 F489L460-L466 HydrophobicContact CD1-CD1 3.91Å; L466-V470 HydrophobicContact CD1-CB 4.48Å; L466-V470 HydrophobicContact CD1-CG1 4.48Å; L466-V470 HydrophobicContact CD1-CG2 4.23Å; L466-F471 HydrophobicContact CD2-CE1 3.86Å; L466-F471 HydrophobicContact CD2-CE2 4.49Å; L466-F471 HydrophobicContact CD2-CZ 3.49Å; L466-F471 VanDerWaalsContact CD2-CZ 3.49Å; L466-F471 HydrophobicContact CG-CZ 4.09Å; L466-L481 HydrophobicContact CD1-CD1 4.32Å; L466-L481 HydrophobicContact CD1-CD2 3.81Å; L466-V487 HydrophobicContact CD2-CG1 4.16Å; L466-F489 HydrophobicContact CD2-CD1 4.08Å; L466-F489 HydrophobicContact CD2-CE1 3.9Å; L466-F489 HydrophobicContact CD2-CZ 4.39Å
467P91.9Very high91.5Very high0 Ų039 Ų390%021%0.207CC..  trans-66.4137.9177.9-15.426.9000112.1L435 N436 W439 L463 A469 V470L435-P467 HydrophobicContact CD1-CG 4.43Å; L435-P467 HydrophobicContact CD2-CB 4.45Å; L435-P467 HydrophobicContact CD2-CG 3.92Å; L435-P467 HydrophobicContact CG-CB 4.43Å; L435-P467 HydrophobicContact CG-CG 3.97Å; N436-P467 WeakPolarHBondContact OD1-CA 3.47Å; W439-P467 HydrophobicContact CB-CB 3.81Å; W439-P467 HydrophobicContact CB-CG 3.79Å; W439-P467 HydrophobicContact CG-CG 3.97Å; L463-P467 HydrophobicContact CD1-CG 3.98Å; P467-A469 VanDerWaalsContact C-N 3.27Å; P467-A469 PolarHBondContact O-N 2.98Å; P467-V470 HydrophobicContact CB-CG2 4.22Å; P467-V470 HydrophobicContact CG-CG2 4.33Å; P467-V470 WeakPolarHBondContact O-CB 3.29Å; P467-V470 VanDerWaalsContact O-CG2 3.29Å; P467-V470 WeakPolarHBondContact O-CG2 3.42Å; P467-V470 PolarHBondContact O-N 3.06Å
468N88.4Confident91.6Very high45 Ų4537.5 Ų37.524%0.24120%0.2CC..G310 helixtrans-64.8-29.9-179.4-75.3-40000113.2N436 V470 F471N436-N468 PolarHBondContact ND2-ND2 3Å; N436-N468 PolarHBondContact OD1-N 3.16Å; N468-V470 PolarHBondContact O-N 2.88Å; N468-V470 VanDerWaalsContact O-N 3.13Å; N468-F471 VanDerWaalsContact O-CD2 3.23Å; N468-F471 WeakPolarHBondContact O-CD2 3.46Å; N468-F471 PolarHBondContact O-N 3.21Å; N468-F471 VanDerWaalsContact O-N 3.08Å
469A90.1Very high91.6Very high14 Ų1437.5 Ų37.512%0.11620%0.2CC..G310 helixtrans-65.2-13.1177.800000113.6W439 L444 P467 F471 D472W439-A469 WeakPolarHBondContact O-CB 3.48Å; L444-A469 HydrophobicContact CD1-CB 3.67Å; P467-A469 VanDerWaalsContact C-N 3.27Å; P467-A469 PolarHBondContact O-N 2.98Å; A469-F471 VanDerWaalsContact C-N 3.26Å; A469-F471 PolarHBondContact O-N 3.28Å; A469-D472 PolarHBondContact O-N 3.49Å
470V92.1Very high91.6Very high0 Ų035.9 Ų35.90%019%0.192CC..G310 helixtrans-64.9-35.1172.5176.70000110.8L444 L458 L460 L466 P467 N468 D472 L473 L479L444-V470 HydrophobicContact CD1-CB 4.47Å; L444-V470 HydrophobicContact CD1-CG2 3.72Å; L444-V470 HydrophobicContact CD2-CG2 4.07Å; L458-V470 HydrophobicContact CD2-CG1 3.94Å; L458-V470 HydrophobicContact CD2-CG2 4.22Å; L460-V470 HydrophobicContact CD1-CG2 3.77Å; L466-V470 HydrophobicContact CD1-CB 4.48Å; L466-V470 HydrophobicContact CD1-CG1 4.48Å; L466-V470 HydrophobicContact CD1-CG2 4.23Å; P467-V470 HydrophobicContact CB-CG2 4.22Å; P467-V470 HydrophobicContact CG-CG2 4.33Å; P467-V470 WeakPolarHBondContact O-CB 3.29Å; P467-V470 VanDerWaalsContact O-CG2 3.29Å; P467-V470 WeakPolarHBondContact O-CG2 3.42Å; P467-V470 PolarHBondContact O-N 3.06Å; N468-V470 PolarHBondContact O-N 2.88Å; N468-V470 VanDerWaalsContact O-N 3.13Å; V470-D472 PolarHBondContact O-N 3.43Å; V470-L473 WeakPolarHBondContact O-CB 3.4Å; V470-L473 PolarHBondContact O-N 2.75Å; V470-L479 HydrophobicContact CG1-CD1 3.99Å; V470-L479 HydrophobicContact CG1-CD2 4.44Å
471F91.4Very high91.6Very high0 Ų035.7 Ų35.70%019%0.191CC..THydrogen-bonded Turntrans-71.2-18.9-178.5-53.5-58.8000113L466 N468 A469 L473 F489 K492 V493 M496L466-F471 HydrophobicContact CD2-CE1 3.86Å; L466-F471 HydrophobicContact CD2-CE2 4.49Å; L466-F471 HydrophobicContact CD2-CZ 3.49Å; L466-F471 VanDerWaalsContact CD2-CZ 3.49Å; L466-F471 HydrophobicContact CG-CZ 4.09Å; N468-F471 VanDerWaalsContact O-CD2 3.23Å; N468-F471 WeakPolarHBondContact O-CD2 3.46Å; N468-F471 PolarHBondContact O-N 3.21Å; N468-F471 VanDerWaalsContact O-N 3.08Å; A469-F471 VanDerWaalsContact C-N 3.26Å; A469-F471 PolarHBondContact O-N 3.28Å; F471-L473 VanDerWaalsContact C-N 3.25Å; F471-L473 PolarHBondContact O-N 2.89Å; F471-F489 HydrophobicContact CE1-CD1 4.03Å; F471-F489 HydrophobicContact CZ-CD1 4.49Å; F471-K492 HydrophobicContact CB-CB 3.78Å; F471-K492 HydrophobicContact CD2-CB 3.92Å; F471-K492 HydrophobicContact CG-CB 3.95Å; F471-V493 HydrophobicContact CD1-CB 4.06Å; F471-V493 HydrophobicContact CD1-CG2 4.32Å; F471-V493 HydrophobicContact CE1-CB 4.1Å; F471-V493 HydrophobicContact CE1-CG2 4.3Å; F471-M496 HydrophobicContact CD1-SD 3.81Å; F471-M496 WeakPolarHBondContact O-CG 3.49Å
472D90.8Very high91.8Very high75 Ų7533.5 Ų33.540%0.40118%0.182SC..THydrogen-bonded Turntrans-76.9-10.8175.8-58.3-35.2000112.4F441 A469 V470 T474F441-D472 HydrophobicContact CD2-CB 3.91Å; F441-D472 HydrophobicContact CE2-CB 4.26Å; A469-D472 PolarHBondContact O-N 3.49Å; V470-D472 PolarHBondContact O-N 3.43Å; D472-T474 PolarHBondContact O-N 3.2Å; D472-T474 VanDerWaalsContact O-N 3.13Å
473L90.4Very high92Very high15 Ų1531.4 Ų31.48%0.07917%0.173CC..  trans-82.183.8176.9-63.8168.4000110.9F441 L444 V448 L458 V470 F471 D475 L476F441-L473 HydrophobicContact CD2-CD2 3.99Å; F441-L473 HydrophobicContact CD2-CG 4.47Å; F441-L473 HydrophobicContact CE2-CD2 3.54Å; F441-L473 HydrophobicContact CE2-CG 4.25Å; F441-L473 HydrophobicContact CZ-CD2 4.17Å; L444-L473 HydrophobicContact CB-CD1 4.13Å; V448-L473 HydrophobicContact CG2-CD1 4.37Å; L458-L473 HydrophobicContact CD2-CD1 3.86Å; V470-L473 WeakPolarHBondContact O-CB 3.4Å; V470-L473 PolarHBondContact O-N 2.75Å; F471-L473 VanDerWaalsContact C-N 3.25Å; F471-L473 PolarHBondContact O-N 2.89Å; L473-D475 VanDerWaalsContact C-N 3.31Å; L473-D475 PolarHBondContact O-N 3.26Å; L473-L476 HydrophobicContact CB-CB 4.2Å; L473-L476 WeakPolarHBondContact O-CB 3.29Å; L473-L476 PolarHBondContact O-N 2.91Å
474T90.3Very high92Very high65 Ų6530.4 Ų30.440%0.39917%0.168SC..THydrogen-bonded Turntrans-66.2-28.2-17656.50000114.8D472 L476 S498D472-T474 PolarHBondContact O-N 3.2Å; D472-T474 VanDerWaalsContact O-N 3.13Å; T474-L476 VanDerWaalsContact C-N 3.3Å; T474-S498 VanDerWaalsContact O-CB 3.31Å; T474-S498 WeakPolarHBondContact O-CB 3.33Å; T474-S498 PolarHBondContact O-OG 2.94Å
475D91Very high92Very high98 Ų9831.3 Ų31.352%0.52417%0.172SC..THydrogen-bonded Turntrans-87.3-3-174.3-58.6-14.2000112.6Q456 L473 E477Q456-D475 PolarHBondContact OE1-O 2.98Å; L473-D475 VanDerWaalsContact C-N 3.31Å; L473-D475 PolarHBondContact O-N 3.26Å; D475-E477 PolarHBondContact O-N 3.37Å
476L92.5Very high91.7Very high1 Ų134.6 Ų34.61%0.00519%0.185CC..  trans-74.8121.6-175.5-168.572.2000111.1V448 Q456 L458 L473 T474 L479 M496 S498 M499V448-L476 HydrophobicContact CG1-CD1 4.32Å; Q456-L476 HydrophobicContact CB-CD1 4.37Å; L458-L476 HydrophobicContact CB-CD1 3.68Å; L458-L476 HydrophobicContact CB-CD2 3.69Å; L458-L476 HydrophobicContact CB-CG 4.35Å; L458-L476 HydrophobicContact CD2-CD2 4.22Å; L473-L476 HydrophobicContact CB-CB 4.2Å; L473-L476 WeakPolarHBondContact O-CB 3.29Å; L473-L476 PolarHBondContact O-N 2.91Å; T474-L476 VanDerWaalsContact C-N 3.3Å; L476-L479 HydrophobicContact CD2-CB 4.27Å; L476-L479 HydrophobicContact CD2-CD1 4.08Å; L476-M496 HydrophobicContact CB-CE 4.11Å; L476-M496 HydrophobicContact CD2-CE 3.69Å; L476-M496 HydrophobicContact CG-CE 4.4Å; L476-S498 CarbonylContact O-C 3.15Å; L476-M499 WeakPolarHBondContact O-CA 3.33Å; L476-M499 PolarHBondContact O-N 3.41Å
477E94.1Very high91.6Very high58 Ų5834.1 Ų34.127%0.27118%0.182SC..  trans-93.9-34.3179.2-66.3-173.2-160.700112.6Q455 Q456 D475 Q500 E501Q455-E477 HydrophobicContact CB-CB 4.2Å; Q455-E477 WeakPolarHBondContact CB-OE2 3.25Å; Q455-E477 VanDerWaalsContact CG-OE2 3.25Å; Q455-E477 WeakPolarHBondContact CG-OE2 3.34Å; Q455-E477 PolarHBondContact NE2-OE2 3.14Å; Q456-E477 PolarHBondContact O-N 3.11Å; Q456-E477 VanDerWaalsContact O-N 3.16Å; D475-E477 PolarHBondContact O-N 3.37Å; E477-Q500 PolarHBondContact O-N 3.4Å; E477-E501 PolarHBondContact O-N 3.03Å; E477-E501 VanDerWaalsContact O-N 3.09Å
478V95.7Very high91.5Very high0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-124.9121.8-173.9-172.90000110.6Q455 Q456 E457 L458 K480 E501Q455-V478 HydrophobicContact CB-CG2 4.15Å; Q456-V478 PolarHBondContact O-N 2.92Å; E457-V478 VanDerWaalsContact CA-O 3.31Å; E457-V478 WeakPolarHBondContact CA-O 3.36Å; E457-V478 HydrophobicContact CB-CB 3.8Å; E457-V478 HydrophobicContact CB-CG1 4.21Å; L458-V478 PolarHBondContact N-O 3.16Å; V478-K480 HydrophobicContact CG1-CG 4.14Å; V478-E501 WeakPolarHBondContact CA-O 3.12Å; V478-E501 HydrophobicContact CB-CB 4.41Å; V478-E501 HydrophobicContact CG1-CB 4.19Å; V478-E501 HydrophobicContact CG1-CG 4.01Å; V478-E501 HydrophobicContact CG2-CB 4.09Å
479L95.5Very high91.5Very high0 Ų038.2 Ų38.20%019%0.194CC..EExtended strand (participates in β ladder)trans-112.7121.4173.2-178.162.6000110.3L458 V470 L476 L481 F489 M499 E501 L502 H503L458-L479 HydrophobicContact CB-CD1 4.33Å; L458-L479 HydrophobicContact CD2-CD1 4.11Å; L458-L479 HydrophobicContact CG-CD1 4.44Å; V470-L479 HydrophobicContact CG1-CD1 3.99Å; V470-L479 HydrophobicContact CG1-CD2 4.44Å; L476-L479 HydrophobicContact CD2-CB 4.27Å; L476-L479 HydrophobicContact CD2-CD1 4.08Å; L479-L481 HydrophobicContact CD1-CD2 3.9Å; L479-L481 HydrophobicContact CD2-CD1 4.34Å; L479-L481 HydrophobicContact CD2-CD2 4.24Å; L479-L481 HydrophobicContact CD2-CG 4.35Å; L479-L481 HydrophobicContact CG-CD2 3.94Å; L479-L481 HydrophobicContact CG-CG 4.11Å; L479-F489 HydrophobicContact CD2-CE1 4.16Å; L479-M499 HydrophobicContact CB-CE 3.82Å; L479-M499 HydrophobicContact CD2-CE 4.14Å; L479-E501 PolarHBondContact N-O 3.37Å; L479-L502 HydrophobicContact CB-CD1 4.14Å; L479-L502 HydrophobicContact CD2-CD1 4.11Å; L479-L502 HydrophobicContact CG-CD1 4.2Å; L479-L502 CarbonylContact O-C 3.5Å; L479-L502 WeakPolarHBondContact O-CA 3.19Å; L479-H503 PolarHBondContact O-N 3.25Å
480K95.8Very high91.4Very high54 Ų5438.5 Ų38.524%0.23520%0.196CC..EExtended strand (participates in β ladder)trans-113.6118.2177-59.2179.9172.7161.30110.7E457 L458 H459 L460 V478 H503E457-K480 WeakPolarHBondContact OE2-CE 3.43Å; E457-K480 IonicContact OE2-NZ 3.99Å; E457-K480 PolarHBondContact OE2-NZ 2.98Å; L458-K480 PolarHBondContact O-N 3.09Å; H459-K480 WeakPolarHBondContact CA-O 3.31Å; H459-K480 HydrophobicContact CB-CB 4.19Å; L460-K480 PolarHBondContact N-O 3.17Å; V478-K480 HydrophobicContact CG1-CG 4.14Å; K480-H503 HydrophobicContact CB-CB 4.12Å; K480-H503 HydrophobicContact CG-CB 3.89Å
481L96.1Very high91.3Very high0 Ų040.3 Ų40.30%021%0.21CC..EExtended strand (participates in β ladder)trans-116124.2-179.6-56.2-177.3000109.7L460 L466 L479 I484 V487 F489 L502 H503 L504 C505 C507L460-L481 HydrophobicContact CB-CD2 4.06Å; L460-L481 HydrophobicContact CD1-CD2 3.95Å; L460-L481 HydrophobicContact CG-CD2 4.33Å; L466-L481 HydrophobicContact CD1-CD1 4.32Å; L466-L481 HydrophobicContact CD1-CD2 3.81Å; L479-L481 HydrophobicContact CD1-CD2 3.9Å; L479-L481 HydrophobicContact CD2-CD1 4.34Å; L479-L481 HydrophobicContact CD2-CD2 4.24Å; L479-L481 HydrophobicContact CD2-CG 4.35Å; L479-L481 HydrophobicContact CG-CD2 3.94Å; L479-L481 HydrophobicContact CG-CG 4.11Å; L481-I484 HydrophobicContact CB-CD1 4.13Å; L481-I484 HydrophobicContact CD2-CD1 4.03Å; L481-V487 HydrophobicContact CD1-CG1 3.71Å; L481-V487 HydrophobicContact CD1-CG2 4.14Å; L481-F489 HydrophobicContact CD1-CZ 3.87Å; L481-L502 HydrophobicContact CD1-CD1 4.49Å; L481-H503 PolarHBondContact N-O 2.7Å; L481-L504 HydrophobicContact CB-CD2 4.38Å; L481-L504 HydrophobicContact CD1-CD2 4Å; L481-C505 PolarHBondContact O-N 3.11Å; L481-C507 PolarHBondContact O-SG 2.96Å; L481-C507 VanDerWaalsContact O-SG 3.35Å
482E96.1Very high91.1Very high50 Ų5043.7 Ų43.723%0.23423%0.225CC..EExtended strand (participates in β ladder)trans-135129.1-176.4-176.9172.8-165.700113H459 L460 F461 M462 I484 C505H459-E482 IonicContact CE1-OE2 3.33Å; H459-E482 PolarHBondContact CE1-OE2 3.17Å; H459-E482 IonicContact NE2-OE2 3.97Å; H459-E482 PolarHBondContact NE2-OE2 3.29Å; L460-E482 PolarHBondContact O-N 3.35Å; F461-E482 WeakPolarHBondContact CA-O 3.31Å; F461-E482 HydrophobicContact CD2-CB 3.9Å; F461-E482 HydrophobicContact CD2-CG 3.64Å; F461-E482 HydrophobicContact CE2-CG 3.83Å; M462-E482 PolarHBondContact N-O 2.63Å; E482-I484 VanDerWaalsContact C-N 3.34Å; E482-I484 PolarHBondContact O-N 2.67Å; E482-C505 WeakPolarHBondContact CA-O 3.34Å; E482-C505 HydrophobicContact CB-CB 3.98Å; E482-C505 HydrophobicContact CG-CB 3.88Å
483L93.8Very high91.1Very high79 Ų7940.1 Ų40.141%0.41421%0.206SC..SBendtrans54.844.3-179.8-62.3171.4000113.3F461 M462 C505 H506F461-L483 HydrophobicContact CE2-CD1 3.66Å; F461-L483 HydrophobicContact CE2-CG 4.41Å; F461-L483 HydrophobicContact CZ-CD1 3.96Å; M462-L483 HydrophobicContact CG-CB 4.12Å; M462-L483 HydrophobicContact CG-CD1 4.11Å; L483-C505 PolarHBondContact N-O 3.12Å; L483-H506 HydrophobicContact CD2-CB 3.85Å
484I91.8Very high91Very high0 Ų042.3 Ų42.30%022%0.223CC..  trans-106.4113.5176.3-55.4-178.9000108.5L460 L463 L481 E482 V487 C507L460-I484 HydrophobicContact CB-CD1 4.19Å; L463-I484 HydrophobicContact CB-CD1 4.28Å; L463-I484 HydrophobicContact CB-CG1 4.36Å; L481-I484 HydrophobicContact CB-CD1 4.13Å; L481-I484 HydrophobicContact CD2-CD1 4.03Å; E482-I484 VanDerWaalsContact C-N 3.34Å; E482-I484 PolarHBondContact O-N 2.67Å; I484-V487 HydrophobicContact CB-CG2 3.67Å; I484-V487 HydrophobicContact CG2-CG2 3.54Å; I484-C507 PolarHBondContact N-SG 3.37Å
485P85Confident91Very high80 Ų8043.4 Ų43.452%0.51922%0.223SC..SBendtrans-74.8-27.2-169.728.8-34.6000113.9L463 P508L463-P485 WeakPolarHBondContact O-CD 3.3Å; P485-P508 VanDerWaalsContact O-CG 3.25Å; P485-P508 WeakPolarHBondContact O-CG 3.27Å
486E81.7Confident90.9Very high81 Ų8138.7 Ų38.738%0.37920%0.198SC..  trans-130.280.8178.5-71.1-160-151.500111.1R488E486-R488 IonicContact OE2-CZ 2.88Å; E486-R488 IonicContact OE2-NE 3.79Å; E486-R488 IonicContact OE2-NH2 3.63Å; E486-R488 PolarHBondContact OE2-NH2 3.19Å
487V89.2Confident90.7Very high1 Ų143.2 Ų43.21%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-84.7118.4171.7-179.20000109.2L466 L481 I484 F489 C507 P508 A509 K510L466-V487 HydrophobicContact CD2-CG1 4.16Å; L481-V487 HydrophobicContact CD1-CG1 3.71Å; L481-V487 HydrophobicContact CD1-CG2 4.14Å; I484-V487 HydrophobicContact CB-CG2 3.67Å; I484-V487 HydrophobicContact CG2-CG2 3.54Å; V487-F489 HydrophobicContact CG1-CD2 3.94Å; V487-F489 HydrophobicContact CG1-CE2 3.48Å; V487-F489 VanDerWaalsContact CG1-CE2 3.48Å; V487-F489 HydrophobicContact CG1-CZ 3.94Å; V487-C507 HydrophobicContact CG2-CB 4Å; V487-P508 PolarHBondContact N-O 3.47Å; V487-A509 HydrophobicContact CB-CB 4.13Å; V487-A509 HydrophobicContact CG1-CB 4.15Å; V487-A509 WeakPolarHBondContact O-CA 3.26Å; V487-K510 PolarHBondContact O-N 2.96Å
488R88.8Confident90.5Very high131 Ų13142.2 Ų42.249%0.49423%0.225SC..EExtended strand (participates in β ladder)trans-120.2118172.2-61.1-172-167.7-173.86.1109.8E486 K510E486-R488 IonicContact OE2-CZ 2.88Å; E486-R488 IonicContact OE2-NE 3.79Å; E486-R488 IonicContact OE2-NH2 3.63Å; E486-R488 PolarHBondContact OE2-NH2 3.19Å; R488-K510 WeakPolarHBondContact CA-O 3.47Å
489F90.4Very high90.4Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-90.1109171.1-69.5-82.6000108.8L466 F471 L479 L481 V487 V493 L502 L504 A509 K510 V511 E512 L519L466-F489 HydrophobicContact CD2-CD1 4.08Å; L466-F489 HydrophobicContact CD2-CE1 3.9Å; L466-F489 HydrophobicContact CD2-CZ 4.39Å; F471-F489 HydrophobicContact CE1-CD1 4.03Å; F471-F489 HydrophobicContact CZ-CD1 4.49Å; L479-F489 HydrophobicContact CD2-CE1 4.16Å; L481-F489 HydrophobicContact CD1-CZ 3.87Å; V487-F489 HydrophobicContact CG1-CD2 3.94Å; V487-F489 HydrophobicContact CG1-CE2 3.48Å; V487-F489 VanDerWaalsContact CG1-CE2 3.48Å; V487-F489 HydrophobicContact CG1-CZ 3.94Å; F489-V493 HydrophobicContact CD1-CG2 4.09Å; F489-L502 HydrophobicContact CE2-CD2 4.37Å; F489-L502 HydrophobicContact CZ-CD1 3.99Å; F489-L502 HydrophobicContact CZ-CD2 3.99Å; F489-L504 HydrophobicContact CE2-CD2 4.49Å; F489-A509 HydrophobicContact CD2-CB 4.43Å; F489-A509 HydrophobicContact CE2-CB 4.06Å; F489-K510 PolarHBondContact N-O 2.88Å; F489-V511 HydrophobicContact CB-CB 4.3Å; F489-V511 HydrophobicContact CB-CG1 3.99Å; F489-V511 HydrophobicContact CB-CG2 4.05Å; F489-V511 HydrophobicContact CD2-CG2 3.81Å; F489-V511 HydrophobicContact CG-CG2 4.3Å; F489-E512 PolarHBondContact O-N 2.92Å; F489-L519 HydrophobicContact CG-CD1 4.44Å
490S88Confident90.2Very high21 Ų2145.2 Ų45.215%0.14724%0.239CC..  trans-80.2174175.3680000111.7K492 V493 E512S490-K492 PolarHBondContact O-N 2.89Å; S490-K492 PolarHBondContact OG-N 3.17Å; S490-V493 WeakPolarHBondContact O-CG1 3.34Å; S490-V493 PolarHBondContact O-N 2.91Å; S490-E512 WeakPolarHBondContact CA-OE2 3.46Å
491A88Confident90.2Very high38 Ų3843.5 Ų43.531%0.31423%0.232SC..G310 helixtrans-51-25.7171.200000114.4V493 S494 E512 T514A491-V493 PolarHBondContact O-N 3.06Å; A491-S494 WeakPolarHBondContact O-CB 3.47Å; A491-S494 PolarHBondContact O-N 2.91Å; A491-S494 PolarHBondContact O-OG 3.43Å; A491-E512 PolarHBondContact N-OE2 2.71Å; A491-T514 WeakPolarHBondContact CB-OG1 3.47Å
492K88.3Confident90.2Very high71 Ų7143.5 Ų43.531%0.30923%0.232SC..G310 helixtrans-65.4-20.1-178.3-64.7-170.8176.2-171.70113.7E253 F471 S490 S494 Q495E253-K492 IonicContact OE1-NZ 2.85Å; F471-K492 HydrophobicContact CB-CB 3.78Å; F471-K492 HydrophobicContact CD2-CB 3.92Å; F471-K492 HydrophobicContact CG-CB 3.95Å; S490-K492 PolarHBondContact O-N 2.89Å; S490-K492 PolarHBondContact OG-N 3.17Å; K492-S494 PolarHBondContact O-N 2.98Å; K492-Q495 VanDerWaalsContact O-CB 3.29Å; K492-Q495 WeakPolarHBondContact O-CB 3.41Å; K492-Q495 WeakPolarHBondContact O-CG 3.13Å; K492-Q495 PolarHBondContact O-N 3.39Å
493V90.9Very high90.2Very high0 Ų042.5 Ų42.50%023%0.227CC..G310 helixtrans-55.7-24.817474.90000112.7F471 F489 S490 A491 Q495 M496 G515 F518 L519F471-V493 HydrophobicContact CD1-CB 4.06Å; F471-V493 HydrophobicContact CD1-CG2 4.32Å; F471-V493 HydrophobicContact CE1-CB 4.1Å; F471-V493 HydrophobicContact CE1-CG2 4.3Å; F489-V493 HydrophobicContact CD1-CG2 4.09Å; S490-V493 WeakPolarHBondContact O-CG1 3.34Å; S490-V493 PolarHBondContact O-N 2.91Å; A491-V493 PolarHBondContact O-N 3.06Å; V493-Q495 PolarHBondContact O-N 2.84Å; V493-Q495 VanDerWaalsContact O-N 3.14Å; V493-M496 HydrophobicContact CG2-SD 4.3Å; V493-M496 WeakPolarHBondContact O-CB 3.29Å; V493-M496 PolarHBondContact O-N 3.3Å; V493-G515 VanDerWaalsContact CG1-CA 3.44Å; V493-F518 HydrophobicContact CG1-CD1 4.18Å; V493-F518 HydrophobicContact CG2-CD1 4.29Å; V493-F518 WeakPolarHBondContact O-CD1 3.47Å; V493-F518 WeakPolarHBondContact O-CE1 3.39Å; V493-L519 HydrophobicContact CG2-CD2 4.18Å
494S88.4Confident90.3Very high61 Ų6138.8 Ų38.843%0.42721%0.208SC..G310 helixtrans-61.3-17.3174.861.60000114.8A491 K492 M496A491-S494 WeakPolarHBondContact O-CB 3.47Å; A491-S494 PolarHBondContact O-N 2.91Å; A491-S494 PolarHBondContact O-OG 3.43Å; K492-S494 PolarHBondContact O-N 2.98Å; S494-M496 VanDerWaalsContact C-N 3.34Å
495Q90.6Very high90.5Very high87 Ų8739.9 Ų39.941%0.40722%0.216SC..G310 helixtrans-76.3-22.6175.9-62.4173.5-13.400112.2K492 V493 T497K492-Q495 VanDerWaalsContact O-CB 3.29Å; K492-Q495 WeakPolarHBondContact O-CB 3.41Å; K492-Q495 WeakPolarHBondContact O-CG 3.13Å; K492-Q495 PolarHBondContact O-N 3.39Å; V493-Q495 PolarHBondContact O-N 2.84Å; V493-Q495 VanDerWaalsContact O-N 3.14Å; Q495-T497 PolarHBondContact O-N 3.25Å
496M89Confident90.8Very high0 Ų038.3 Ų38.30%020%0.201CC..  trans-81.862.1-177.3-59.3179.572.500112F471 L476 V493 S494 S498 M499 F518F471-M496 HydrophobicContact CD1-SD 3.81Å; F471-M496 WeakPolarHBondContact O-CG 3.49Å; L476-M496 HydrophobicContact CB-CE 4.11Å; L476-M496 HydrophobicContact CD2-CE 3.69Å; L476-M496 HydrophobicContact CG-CE 4.4Å; V493-M496 HydrophobicContact CG2-SD 4.3Å; V493-M496 WeakPolarHBondContact O-CB 3.29Å; V493-M496 PolarHBondContact O-N 3.3Å; S494-M496 VanDerWaalsContact C-N 3.34Å; M496-S498 PolarHBondContact O-N 3.04Å; M496-S498 VanDerWaalsContact O-N 3.11Å; M496-M499 HydrophobicContact CB-CB 4.07Å; M496-M499 HydrophobicContact CE-CG 4.47Å; M496-M499 VanDerWaalsContact O-CB 3.29Å; M496-M499 WeakPolarHBondContact O-CB 3.38Å; M496-M499 PolarHBondContact O-N 3.21Å; M496-F518 WeakPolarHBondContact O-CZ 3.32Å
497T88.1Confident91.3Very high95 Ų9534.6 Ų34.658%0.58318%0.184SC*.THydrogen-bonded Turntrans-59.2-26.7-171.154.90000114.8Q495Q495-T497 PolarHBondContact O-N 3.25Å
498S90.4Very high91.2Very high38 Ų3837.3 Ų37.327%0.26620%0.202SC..THydrogen-bonded Turntrans-84.1-11.2-179.8-52.50000113.8T474 L476 M496 Q500T474-S498 VanDerWaalsContact O-CB 3.31Å; T474-S498 WeakPolarHBondContact O-CB 3.33Å; T474-S498 PolarHBondContact O-OG 2.94Å; L476-S498 CarbonylContact O-C 3.15Å; M496-S498 PolarHBondContact O-N 3.04Å; M496-S498 VanDerWaalsContact O-N 3.11Å; S498-Q500 PolarHBondContact O-N 3.16Å
499M92.6Very high91.3Very high2 Ų231.5 Ų31.51%0.0118%0.181CC..  trans-67.7119.8-173-167.9-131.8-164.100111.4L476 L479 M496 L502 L519 L523L476-M499 WeakPolarHBondContact O-CA 3.33Å; L476-M499 PolarHBondContact O-N 3.41Å; L479-M499 HydrophobicContact CB-CE 3.82Å; L479-M499 HydrophobicContact CD2-CE 4.14Å; M496-M499 HydrophobicContact CB-CB 4.07Å; M496-M499 HydrophobicContact CE-CG 4.47Å; M496-M499 VanDerWaalsContact O-CB 3.29Å; M496-M499 WeakPolarHBondContact O-CB 3.38Å; M496-M499 PolarHBondContact O-N 3.21Å; M499-L502 HydrophobicContact CE-CB 3.78Å; M499-L502 HydrophobicContact CE-CD1 3.77Å; M499-L502 HydrophobicContact CE-CD2 4.41Å; M499-L502 HydrophobicContact CE-CG 4.18Å; M499-L519 HydrophobicContact SD-CD2 3.91Å; M499-L523 HydrophobicContact CE-CD1 4.42Å; M499-L523 HydrophobicContact SD-CD1 4.16Å
500Q92.3Very high91.4Very high60 Ų6038.6 Ų38.628%0.2821%0.212SC..  trans-123.7-18.7-179.2-70.3179.844.300112.9E477 S498 R524 R525E477-Q500 PolarHBondContact O-N 3.4Å; S498-Q500 PolarHBondContact O-N 3.16Å; Q500-R524 PolarHBondContact O-N 3.23Å; Q500-R524 VanDerWaalsContact OE1-NH1 3.1Å; Q500-R525 PolarHBondContact O-N 2.94Å
501E95.6Very high91.5Very high18 Ų1838.6 Ų38.68%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-133.9131.6-173.6-175172.1162.400112.6E477 V478 L479 H503 R525 H527E477-E501 PolarHBondContact O-N 3.03Å; E477-E501 VanDerWaalsContact O-N 3.09Å; V478-E501 WeakPolarHBondContact CA-O 3.12Å; V478-E501 HydrophobicContact CB-CB 4.41Å; V478-E501 HydrophobicContact CG1-CB 4.19Å; V478-E501 HydrophobicContact CG1-CG 4.01Å; V478-E501 HydrophobicContact CG2-CB 4.09Å; L479-E501 PolarHBondContact N-O 3.37Å; E501-H503 IonicContact OE1-CD2 2.92Å; E501-H503 IonicContact OE1-CE1 3.87Å; E501-H503 IonicContact OE1-NE2 2.96Å; E501-H503 PolarHBondContact OE1-NE2 3.04Å; E501-R525 VanDerWaalsContact CA-O 3.31Å; E501-R525 WeakPolarHBondContact CA-O 3.4Å; E501-R525 HydrophobicContact CB-CB 4.12Å; E501-R525 HydrophobicContact CG-CB 3.85Å; E501-R525 IonicContact OE2-CZ 3.75Å; E501-R525 IonicContact OE2-NE 3.08Å; E501-R525 PolarHBondContact OE2-NE 3.02Å; E501-R525 IonicContact OE2-NH2 3.11Å; E501-R525 PolarHBondContact OE2-NH2 2.93Å; E501-H527 IonicContact OE1-CD2 3.9Å; E501-H527 IonicContact OE1-NE2 3.79Å
502L95.9Very high91.6Very high0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-127.8131.9179.5178.760.6000109.9L479 L481 F489 M499 L504 L523 R525 L526 H527 W539L479-L502 HydrophobicContact CB-CD1 4.14Å; L479-L502 HydrophobicContact CD2-CD1 4.11Å; L479-L502 HydrophobicContact CG-CD1 4.2Å; L479-L502 CarbonylContact O-C 3.5Å; L479-L502 WeakPolarHBondContact O-CA 3.19Å; L481-L502 HydrophobicContact CD1-CD1 4.49Å; F489-L502 HydrophobicContact CE2-CD2 4.37Å; F489-L502 HydrophobicContact CZ-CD1 3.99Å; F489-L502 HydrophobicContact CZ-CD2 3.99Å; M499-L502 HydrophobicContact CE-CB 3.78Å; M499-L502 HydrophobicContact CE-CD1 3.77Å; M499-L502 HydrophobicContact CE-CD2 4.41Å; M499-L502 HydrophobicContact CE-CG 4.18Å; L502-L504 HydrophobicContact CD1-CD2 3.97Å; L502-L504 HydrophobicContact CD1-CG 4.5Å; L502-L504 HydrophobicContact CD2-CD1 4.25Å; L502-L504 HydrophobicContact CD2-CD2 4.12Å; L502-L504 HydrophobicContact CD2-CG 4.15Å; L502-L504 HydrophobicContact CG-CD2 4.04Å; L502-L504 HydrophobicContact CG-CG 4.05Å; L502-L523 HydrophobicContact CB-CD1 3.81Å; L502-L523 HydrophobicContact CB-CD2 4.18Å; L502-L523 HydrophobicContact CD2-CD2 4.48Å; L502-R525 PolarHBondContact N-O 3.32Å; L502-R525 VanDerWaalsContact N-O 3.1Å; L502-L526 HydrophobicContact CB-CD1 3.89Å; L502-L526 HydrophobicContact CD2-CD1 3.98Å; L502-L526 HydrophobicContact CG-CD1 3.97Å; L502-L526 WeakPolarHBondContact O-CA 3.44Å; L502-H527 PolarHBondContact O-N 2.96Å; L502-W539 HydrophobicContact CD2-CH2 4.16Å
503H96.1Very high91.6Very high29 Ų2943.8 Ų43.813%0.13423%0.23CC..EExtended strand (participates in β ladder)trans-115.6122.1171.5-61-145.4000108.9L479 K480 L481 E501 H527L479-H503 PolarHBondContact O-N 3.25Å; K480-H503 HydrophobicContact CB-CB 4.12Å; K480-H503 HydrophobicContact CG-CB 3.89Å; L481-H503 PolarHBondContact N-O 2.7Å; E501-H503 IonicContact OE1-CD2 2.92Å; E501-H503 IonicContact OE1-CE1 3.87Å; E501-H503 IonicContact OE1-NE2 2.96Å; E501-H503 PolarHBondContact OE1-NE2 3.04Å; H503-H527 CarbonylContact C-O 3.2Å; H503-H527 WeakPolarHBondContact CA-O 3.29Å; H503-H527 HydrophobicContact CB-CB 4.11Å; H503-H527 AromaticContact CD2-CD2 3.62Å; H503-H527 AromaticContact CD2-CG 3.95Å; H503-H527 AromaticContact CE1-CD2 3.62Å; H503-H527 AromaticContact CE1-CG 3.65Å; H503-H527 AromaticContact CE1-NE2 3.99Å; H503-H527 AromaticContact ND1-CG 3.9Å; H503-H527 AromaticContact NE2-CD2 3.23Å; H503-H527 PolarHBondContact NE2-CD2 3.27Å; H503-H527 AromaticContact NE2-CG 3.7Å; H503-H527 AromaticContact NE2-NE2 3.73Å
504L95.6Very high91.4Very high1 Ų147.9 Ų47.91%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-113.8102.5175.3-60.2178.9000108.1L481 F489 L502 C507 A509 L526 H527 V528 K529 P537 W539L481-L504 HydrophobicContact CB-CD2 4.38Å; L481-L504 HydrophobicContact CD1-CD2 4Å; F489-L504 HydrophobicContact CE2-CD2 4.49Å; L502-L504 HydrophobicContact CD1-CD2 3.97Å; L502-L504 HydrophobicContact CD1-CG 4.5Å; L502-L504 HydrophobicContact CD2-CD1 4.25Å; L502-L504 HydrophobicContact CD2-CD2 4.12Å; L502-L504 HydrophobicContact CD2-CG 4.15Å; L502-L504 HydrophobicContact CG-CD2 4.04Å; L502-L504 HydrophobicContact CG-CG 4.05Å; L504-C507 HydrophobicContact CB-CB 4.48Å; L504-A509 HydrophobicContact CD1-CB 4Å; L504-A509 HydrophobicContact CD2-CB 4.38Å; L504-L526 HydrophobicContact CD1-CD1 4.41Å; L504-H527 PolarHBondContact N-O 3.31Å; L504-V528 CarbonylContact O-C 3.36Å; L504-V528 WeakPolarHBondContact O-CA 3.24Å; L504-K529 PolarHBondContact O-N 3.3Å; L504-P537 HydrophobicContact CD1-CG 4.35Å; L504-W539 HydrophobicContact CD1-CH2 4.29Å; L504-W539 HydrophobicContact CD1-CZ2 4.17Å
505C95.2Very high91.4Very high24 Ų2445 Ų4516%0.16224%0.235CC..EExtended strand (participates in β ladder)trans-110102-178.8-67.10000110.6L481 E482 L483 C507 K529L481-C505 PolarHBondContact O-N 3.11Å; E482-C505 WeakPolarHBondContact CA-O 3.34Å; E482-C505 HydrophobicContact CB-CB 3.98Å; E482-C505 HydrophobicContact CG-CB 3.88Å; L483-C505 PolarHBondContact N-O 3.12Å; C505-C507 VanDerWaalsContact C-N 3.3Å; C505-C507 PolarHBondContact O-N 2.93Å; C505-C507 PolarHBondContact O-SG 3.38Å; C505-K529 HydrophobicContact CB-CB 4.3Å
506H92.4Very high91.5Very high46 Ų4641.9 Ų41.921%0.21322%0.22CC..SBendtrans57.244-175.9-53.9-61.9000112.1L483 K529 T531 E535L483-H506 HydrophobicContact CD2-CB 3.85Å; H506-K529 PolarHBondContact N-O 3.39Å; H506-K529 WeakPolarHBondContact NE2-CE 3.33Å; H506-T531 WeakPolarHBondContact CE1-CG2 3.2Å; H506-E535 IonicContact ND1-OE2 3.97Å
507C91Very high91.6Very high4 Ų443.6 Ų43.63%0.02724%0.235CC..  trans-128.7103-174.3-67.10000109.5L481 I484 V487 L504 C505 A509L481-C507 PolarHBondContact O-SG 2.96Å; L481-C507 VanDerWaalsContact O-SG 3.35Å; I484-C507 PolarHBondContact N-SG 3.37Å; V487-C507 HydrophobicContact CG2-CB 4Å; L504-C507 HydrophobicContact CB-CB 4.48Å; C505-C507 VanDerWaalsContact C-N 3.3Å; C505-C507 PolarHBondContact O-N 2.93Å; C505-C507 PolarHBondContact O-SG 3.38Å; C507-A509 PolarHBondContact O-N 3.47Å
508P88.6Confident91.8Very high58 Ų5839.9 Ų39.938%0.37721%0.211SC..  trans-69.5120.2169.130.1-32.9000108.7P485 V487P485-P508 VanDerWaalsContact O-CG 3.25Å; P485-P508 WeakPolarHBondContact O-CG 3.27Å; V487-P508 PolarHBondContact N-O 3.47Å
509A90.9Very high91.9Very high8 Ų838.1 Ų38.17%0.06620%0.198CC..EExtended strand (participates in β ladder)trans-114.4123.2-173.500000112.1V487 F489 L504 C507 P537 W539V487-A509 HydrophobicContact CB-CB 4.13Å; V487-A509 HydrophobicContact CG1-CB 4.15Å; V487-A509 WeakPolarHBondContact O-CA 3.26Å; F489-A509 HydrophobicContact CD2-CB 4.43Å; F489-A509 HydrophobicContact CE2-CB 4.06Å; L504-A509 HydrophobicContact CD1-CB 4Å; L504-A509 HydrophobicContact CD2-CB 4.38Å; C507-A509 PolarHBondContact O-N 3.47Å; A509-P537 HydrophobicContact CB-CG 4.08Å; A509-W539 HydrophobicContact CB-CZ2 4.09Å; A509-W539 PolarHBondContact O-NE1 3.05Å
510K90.6Very high91.8Very high150 Ų15040.7 Ų40.765%0.65221%0.208SC*.EExtended strand (participates in β ladder)trans-101.9144.3169.6-64.7180-178.2176.10109.4V487 R488 F489V487-K510 PolarHBondContact O-N 2.96Å; R488-K510 WeakPolarHBondContact CA-O 3.47Å; F489-K510 PolarHBondContact N-O 2.88Å
511V91.5Very high91.7Very high21 Ų2141.1 Ų41.113%0.12721%0.212CC..EExtended strand (participates in β ladder)trans-132.2130-176.5-174.10000108.4F489 F516 L519 W539F489-V511 HydrophobicContact CB-CB 4.3Å; F489-V511 HydrophobicContact CB-CG1 3.99Å; F489-V511 HydrophobicContact CB-CG2 4.05Å; F489-V511 HydrophobicContact CD2-CG2 3.81Å; F489-V511 HydrophobicContact CG-CG2 4.3Å; V511-F516 HydrophobicContact CB-CB 4.46Å; V511-F516 HydrophobicContact CG1-CB 3.7Å; V511-F516 VanDerWaalsContact CG1-N 3.31Å; V511-L519 HydrophobicContact CG1-CD1 4.05Å; V511-L519 HydrophobicContact CG2-CD1 4.22Å; V511-W539 HydrophobicContact CG2-CD2 3.92Å; V511-W539 VanDerWaalsContact CG2-CE2 3.4Å; V511-W539 HydrophobicContact CG2-CG 4.3Å; V511-W539 HydrophobicContact CG2-CH2 4.36Å; V511-W539 HydrophobicContact CG2-CZ2 3.68Å
512E88.9Confident91.5Very high84 Ų8444.4 Ų44.439%0.39323%0.227SC..  trans-67.8152.4171.5-69.6178-179.800111.3F489 S490 A491 T514 G515 F516F489-E512 PolarHBondContact O-N 2.92Å; S490-E512 WeakPolarHBondContact CA-OE2 3.46Å; A491-E512 PolarHBondContact N-OE2 2.71Å; E512-T514 VanDerWaalsContact C-N 3.28Å; E512-T514 PolarHBondContact O-N 3.22Å; E512-T514 VanDerWaalsContact O-N 3.16Å; E512-G515 PolarHBondContact O-N 3.45Å; E512-G515 VanDerWaalsContact O-N 3.14Å; E512-F516 WeakPolarHBondContact O-CB 3.23Å; E512-F516 PolarHBondContact O-N 3.41Å
513Q88.1Confident91.4Very high133 Ų13344.4 Ų44.462%0.62123%0.227SC*.Hα-helixtrans-56.9-38.1-173.4-173.664.810.900113.9A517Q513-A517 PolarHBondContact O-N 2.8Å
514T88.1Confident91.3Very high86 Ų8647.6 Ų47.653%0.52824%0.238SC..Hα-helixtrans-71.1-45.1178.348.20000111.7A491 E512 F516 A517 F518A491-T514 WeakPolarHBondContact CB-OG1 3.47Å; E512-T514 VanDerWaalsContact C-N 3.28Å; E512-T514 PolarHBondContact O-N 3.22Å; E512-T514 VanDerWaalsContact O-N 3.16Å; T514-F516 VanDerWaalsContact C-N 3.29Å; T514-F516 PolarHBondContact O-N 3.34Å; T514-A517 WeakPolarHBondContact O-CB 3.35Å; T514-A517 PolarHBondContact O-N 3.18Å; T514-F518 PolarHBondContact O-N 3.34Å
515G88.9Confident91.3Very high0 Ų050.2 Ų50.20%025%0.248CC..Hα-helixtrans-63.6-35.2174.500000112.6V493 E512 A517 F518 L519V493-G515 VanDerWaalsContact CG1-CA 3.44Å; E512-G515 PolarHBondContact O-N 3.45Å; E512-G515 VanDerWaalsContact O-N 3.14Å; G515-A517 PolarHBondContact O-N 2.86Å; G515-F518 WeakPolarHBondContact O-CB 3.48Å; G515-F518 PolarHBondContact O-N 3.27Å; G515-L519 PolarHBondContact O-N 3.44Å
516F92.4Very high91.4Very high22 Ų2249.1 Ų49.110%0.09624%0.24CC..Hα-helixtrans-63.8-39.4175.3173.9-107.7000112.1V511 E512 T514 F518 L519 R520 W539 L542 L543V511-F516 HydrophobicContact CB-CB 4.46Å; V511-F516 HydrophobicContact CG1-CB 3.7Å; V511-F516 VanDerWaalsContact CG1-N 3.31Å; E512-F516 WeakPolarHBondContact O-CB 3.23Å; E512-F516 PolarHBondContact O-N 3.41Å; T514-F516 VanDerWaalsContact C-N 3.29Å; T514-F516 PolarHBondContact O-N 3.34Å; F516-F518 VanDerWaalsContact C-N 3.26Å; F516-F518 PolarHBondContact O-N 3.19Å; F516-L519 PolarHBondContact O-N 2.84Å; F516-R520 HydrophobicContact CE1-CB 4.37Å; F516-R520 HydrophobicContact CE2-CB 4.32Å; F516-R520 HydrophobicContact CZ-CB 4.11Å; F516-R520 HydrophobicContact CZ-CG 4.21Å; F516-R520 WeakPolarHBondContact O-CB 3.44Å; F516-R520 PolarHBondContact O-N 3.36Å; F516-W539 HydrophobicContact CD2-CB 3.98Å; F516-W539 HydrophobicContact CD2-CE3 4.46Å; F516-W539 HydrophobicContact CE2-CB 3.81Å; F516-W539 HydrophobicContact CE2-CE3 4.47Å; F516-L542 HydrophobicContact CE2-CB 4.23Å; F516-L542 HydrophobicContact CZ-CB 3.64Å; F516-L542 HydrophobicContact CZ-CD1 4.36Å; F516-L543 HydrophobicContact CE2-CD2 4.24Å
517A91.1Very high91.6Very high37 Ų3748.4 Ų48.431%0.30624%0.237SC..Hα-helixtrans-58.6-40.9176.300000111.6Q513 T514 G515 D521Q513-A517 PolarHBondContact O-N 2.8Å; T514-A517 WeakPolarHBondContact O-CB 3.35Å; T514-A517 PolarHBondContact O-N 3.18Å; G515-A517 PolarHBondContact O-N 2.86Å; A517-D521 PolarHBondContact O-N 3.45Å
518F91.8Very high91.8Very high17 Ų1748.4 Ų48.48%0.07524%0.237CC..Hα-helixtrans-63.2-54.6174.5176.3-99000111.9V493 M496 T514 G515 F516 R520 D521 H522V493-F518 HydrophobicContact CG1-CD1 4.18Å; V493-F518 HydrophobicContact CG2-CD1 4.29Å; V493-F518 WeakPolarHBondContact O-CD1 3.47Å; V493-F518 WeakPolarHBondContact O-CE1 3.39Å; M496-F518 WeakPolarHBondContact O-CZ 3.32Å; T514-F518 PolarHBondContact O-N 3.34Å; G515-F518 WeakPolarHBondContact O-CB 3.48Å; G515-F518 PolarHBondContact O-N 3.27Å; F516-F518 VanDerWaalsContact C-N 3.26Å; F516-F518 PolarHBondContact O-N 3.19Å; F518-R520 VanDerWaalsContact C-N 3.31Å; F518-R520 PolarHBondContact O-N 3.48Å; F518-D521 PolarHBondContact O-N 3.21Å; F518-H522 AromaticContact CD2-CE1 3.7Å; F518-H522 AromaticContact CD2-CG 3.94Å; F518-H522 AromaticContact CD2-ND1 3.43Å; F518-H522 WeakPolarHBondContact CD2-ND1 3.37Å; F518-H522 HydrophobicContact CE1-CB 4.37Å; F518-H522 HydrophobicContact CE2-CB 4.15Å; F518-H522 AromaticContact CE2-CD2 3.81Å; F518-H522 AromaticContact CE2-CE1 3.78Å; F518-H522 AromaticContact CE2-CG 3.56Å; F518-H522 AromaticContact CE2-ND1 3.54Å; F518-H522 AromaticContact CE2-NE2 3.96Å; F518-H522 HydrophobicContact CZ-CB 4.01Å; F518-H522 AromaticContact CZ-CG 3.93Å; F518-H522 WeakPolarHBondContact O-CB 3.48Å; F518-H522 PolarHBondContact O-N 3.14Å; F518-H522 PolarHBondContact O-ND1 3.41Å
519L92Very high92.1Very high1 Ų149.8 Ų49.81%0.00524%0.237CC..Hα-helixtrans-60.3-39.9-178.5-70177.5000112.4F489 V493 M499 V511 G515 F516 D521 L523 W539 L543F489-L519 HydrophobicContact CG-CD1 4.44Å; V493-L519 HydrophobicContact CG2-CD2 4.18Å; M499-L519 HydrophobicContact SD-CD2 3.91Å; V511-L519 HydrophobicContact CG1-CD1 4.05Å; V511-L519 HydrophobicContact CG2-CD1 4.22Å; G515-L519 PolarHBondContact O-N 3.44Å; F516-L519 PolarHBondContact O-N 2.84Å; L519-D521 PolarHBondContact O-N 2.78Å; L519-L523 WeakPolarHBondContact O-CB 3.23Å; L519-L523 PolarHBondContact O-N 2.95Å; L519-W539 HydrophobicContact CD1-CH2 4.5Å; L519-W539 HydrophobicContact CD1-CZ3 4.46Å; L519-L543 HydrophobicContact CB-CD2 4.37Å
520R91.1Very high92.1Very high56 Ų5649.7 Ų49.721%0.21124%0.235CC..Hα-helixtrans-57.1-38.2178.4-176.4-171.869.6-152.5-10.5112.6F516 F518 L542 L543 R544 S545F516-R520 HydrophobicContact CE1-CB 4.37Å; F516-R520 HydrophobicContact CE2-CB 4.32Å; F516-R520 HydrophobicContact CZ-CB 4.11Å; F516-R520 HydrophobicContact CZ-CG 4.21Å; F516-R520 WeakPolarHBondContact O-CB 3.44Å; F516-R520 PolarHBondContact O-N 3.36Å; F518-R520 VanDerWaalsContact C-N 3.31Å; F518-R520 PolarHBondContact O-N 3.48Å; R520-L542 WeakPolarHBondContact CG-O 3.48Å; R520-L543 HydrophobicContact CB-CD2 4.49Å; R520-R544 HydrophobicContact CG-CB 4.18Å; R520-R544 HydrophobicContact CG-CG 3.96Å; R520-R544 PolarHBondContact O-N 3.49Å; R520-S545 PolarHBondContact O-N 3.41Å; R520-S545 VanDerWaalsContact O-N 3.09Å
521D89.6Confident92Very high69 Ų6947 Ų4737%0.36923%0.232SC..Hα-helixtrans-99.9-20.9-169.7-60.5-21.6000112.3A517 F518 L519 S545A517-D521 PolarHBondContact O-N 3.45Å; F518-D521 PolarHBondContact O-N 3.21Å; L519-D521 PolarHBondContact O-N 2.78Å; D521-S545 WeakPolarHBondContact O-CB 3.15Å; D521-S545 PolarHBondContact O-OG 3.02Å
522H90.6Very high91.6Very high86 Ų8649.9 Ų49.940%0.39825%0.246SC..Hα-helixtrans-109.3-31.1-176.9-63.877.9000115F518 R524F518-H522 AromaticContact CD2-CE1 3.7Å; F518-H522 AromaticContact CD2-CG 3.94Å; F518-H522 AromaticContact CD2-ND1 3.43Å; F518-H522 WeakPolarHBondContact CD2-ND1 3.37Å; F518-H522 HydrophobicContact CE1-CB 4.37Å; F518-H522 HydrophobicContact CE2-CB 4.15Å; F518-H522 AromaticContact CE2-CD2 3.81Å; F518-H522 AromaticContact CE2-CE1 3.78Å; F518-H522 AromaticContact CE2-CG 3.56Å; F518-H522 AromaticContact CE2-ND1 3.54Å; F518-H522 AromaticContact CE2-NE2 3.96Å; F518-H522 HydrophobicContact CZ-CB 4.01Å; F518-H522 AromaticContact CZ-CG 3.93Å; F518-H522 WeakPolarHBondContact O-CB 3.48Å; F518-H522 PolarHBondContact O-N 3.14Å; F518-H522 PolarHBondContact O-ND1 3.41Å; H522-R524 PolarHBondContact O-N 2.75Å
523L94.3Very high91.3Very high1 Ų146.9 Ų46.91%0.00523%0.234CC..  trans-70.2126.6-174-165.571000111.2M499 L502 L519 L526 L543 S545 L546M499-L523 HydrophobicContact CE-CD1 4.42Å; M499-L523 HydrophobicContact SD-CD1 4.16Å; L502-L523 HydrophobicContact CB-CD1 3.81Å; L502-L523 HydrophobicContact CB-CD2 4.18Å; L502-L523 HydrophobicContact CD2-CD2 4.48Å; L519-L523 WeakPolarHBondContact O-CB 3.23Å; L519-L523 PolarHBondContact O-N 2.95Å; L523-L526 HydrophobicContact CD2-CB 4.21Å; L523-L526 HydrophobicContact CD2-CD1 4.14Å; L523-L543 HydrophobicContact CD2-CD1 3.96Å; L523-S545 CarbonylContact O-C 3.58Å; L523-L546 HydrophobicContact CD2-CD1 4.46Å; L523-L546 HydrophobicContact CG-CD1 4.43Å; L523-L546 WeakPolarHBondContact O-CA 3.27Å; L523-L546 PolarHBondContact O-N 3.27Å
524R94.8Very high91Very high96 Ų9644.7 Ų44.736%0.36224%0.238SC..  trans-108.8-34.6-176.9-66.1-176.4-180174.8-0.9113.1Q500 H522 R547 E548Q500-R524 PolarHBondContact O-N 3.23Å; Q500-R524 VanDerWaalsContact OE1-NH1 3.1Å; H522-R524 PolarHBondContact O-N 2.75Å; R524-R547 WeakPolarHBondContact O-CA 3.41Å; R524-R547 PolarHBondContact O-N 3.18Å; R524-E548 PolarHBondContact O-N 2.95Å
525R96.2Very high90.9Very high56 Ų5642.3 Ų42.321%0.21122%0.221CC..EExtended strand (participates in β ladder)trans-127.3131.1-179.1-62.5-169.9-70.7-150.7-0.9109.9Q500 E501 L502 E548Q500-R525 PolarHBondContact O-N 2.94Å; E501-R525 VanDerWaalsContact CA-O 3.31Å; E501-R525 WeakPolarHBondContact CA-O 3.4Å; E501-R525 HydrophobicContact CB-CB 4.12Å; E501-R525 HydrophobicContact CG-CB 3.85Å; E501-R525 IonicContact OE2-CZ 3.75Å; E501-R525 IonicContact OE2-NE 3.08Å; E501-R525 PolarHBondContact OE2-NE 3.02Å; E501-R525 IonicContact OE2-NH2 3.11Å; E501-R525 PolarHBondContact OE2-NH2 2.93Å; L502-R525 PolarHBondContact N-O 3.32Å; L502-R525 VanDerWaalsContact N-O 3.1Å; R525-E548 WeakPolarHBondContact CA-O 3.35Å; R525-E548 WeakPolarHBondContact CD-OE2 3.37Å; R525-E548 HydrophobicContact CG-CB 4Å; R525-E548 HydrophobicContact CG-CG 4.03Å
526L96.5Very high90.9Very high0 Ų042.8 Ų42.80%022%0.223CC..EExtended strand (participates in β ladder)trans-132.2126.9177179.269.8000109.8L502 L504 L523 V528 V540 L543 L546 E548 L549 Y550L502-L526 HydrophobicContact CB-CD1 3.89Å; L502-L526 HydrophobicContact CD2-CD1 3.98Å; L502-L526 HydrophobicContact CG-CD1 3.97Å; L502-L526 WeakPolarHBondContact O-CA 3.44Å; L504-L526 HydrophobicContact CD1-CD1 4.41Å; L523-L526 HydrophobicContact CD2-CB 4.21Å; L523-L526 HydrophobicContact CD2-CD1 4.14Å; L526-V528 HydrophobicContact CD1-CG2 4.18Å; L526-V528 HydrophobicContact CD2-CG2 3.76Å; L526-V528 HydrophobicContact CG-CG2 3.73Å; L526-V540 HydrophobicContact CD2-CB 4.07Å; L526-V540 HydrophobicContact CD2-CG1 3.38Å; L526-V540 HydrophobicContact CD2-CG2 3.63Å; L526-L543 HydrophobicContact CD2-CD1 4.01Å; L526-L546 HydrophobicContact CB-CD1 3.71Å; L526-L546 HydrophobicContact CB-CD2 4.41Å; L526-E548 PolarHBondContact N-O 3.13Å; L526-L549 HydrophobicContact CB-CD1 4.17Å; L526-L549 HydrophobicContact CD2-CD1 3.95Å; L526-L549 HydrophobicContact CG-CD1 4.24Å; L526-Y550 PolarHBondContact O-N 3.45Å
527H96.5Very high90.7Very high31 Ų3142.1 Ų42.114%0.14422%0.221CC..EExtended strand (participates in β ladder)trans-110.4122.6171.2-64.8-106.8000108.5E501 L502 H503 L504 Y550E501-H527 IonicContact OE1-CD2 3.9Å; E501-H527 IonicContact OE1-NE2 3.79Å; L502-H527 PolarHBondContact O-N 2.96Å; H503-H527 CarbonylContact C-O 3.2Å; H503-H527 WeakPolarHBondContact CA-O 3.29Å; H503-H527 HydrophobicContact CB-CB 4.11Å; H503-H527 AromaticContact CD2-CD2 3.62Å; H503-H527 AromaticContact CD2-CG 3.95Å; H503-H527 AromaticContact CE1-CD2 3.62Å; H503-H527 AromaticContact CE1-CG 3.65Å; H503-H527 AromaticContact CE1-NE2 3.99Å; H503-H527 AromaticContact ND1-CG 3.9Å; H503-H527 AromaticContact NE2-CD2 3.23Å; H503-H527 PolarHBondContact NE2-CD2 3.27Å; H503-H527 AromaticContact NE2-CG 3.7Å; H503-H527 AromaticContact NE2-NE2 3.73Å; L504-H527 PolarHBondContact N-O 3.31Å; H527-Y550 AromaticContact CD2-CD2 3.83Å; H527-Y550 AromaticContact CE1-CD1 3.8Å; H527-Y550 AromaticContact CE1-CD2 3.11Å; H527-Y550 WeakPolarHBondContact CE1-CD2 3.47Å; H527-Y550 AromaticContact CE1-CE2 3.42Å; H527-Y550 VanDerWaalsContact CE1-CE2 3.42Å; H527-Y550 WeakPolarHBondContact CE1-CE2 3.49Å; H527-Y550 AromaticContact CE1-CG 3.34Å; H527-Y550 AromaticContact CE1-CZ 3.91Å; H527-Y550 AromaticContact CG-CD2 3.92Å; H527-Y550 WeakPolarHBondContact ND1-CB 3.35Å; H527-Y550 AromaticContact ND1-CD2 3.5Å; H527-Y550 AromaticContact ND1-CG 3.4Å; H527-Y550 AromaticContact NE2-CD2 3.31Å; H527-Y550 VanDerWaalsContact NE2-CD2 3.31Å; H527-Y550 WeakPolarHBondContact NE2-CD2 3.24Å; H527-Y550 AromaticContact NE2-CE2 3.46Å; H527-Y550 WeakPolarHBondContact NE2-CE2 3.46Å
528V95.4Very high90.5Very high4 Ų444 Ų442%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-122.4114.1175.3-168.50000107.8L504 L526 F530 Y550 L551 M552L504-V528 CarbonylContact O-C 3.36Å; L504-V528 WeakPolarHBondContact O-CA 3.24Å; L526-V528 HydrophobicContact CD1-CG2 4.18Å; L526-V528 HydrophobicContact CD2-CG2 3.76Å; L526-V528 HydrophobicContact CG-CG2 3.73Å; V528-F530 HydrophobicContact CG1-CD1 4.07Å; V528-Y550 PolarHBondContact N-O 3.31Å; V528-L551 HydrophobicContact CB-CD2 3.89Å; V528-L551 HydrophobicContact CG2-CD2 4.12Å; V528-L551 WeakPolarHBondContact O-CA 3.31Å; V528-M552 PolarHBondContact O-N 2.81Å
529K94.6Very high90.5Very high88 Ų8844.2 Ų44.238%0.38323%0.231SC..EExtended strand (participates in β ladder)trans-106.8125.3170.1-176.9-174.7177-167.80108.7L504 C505 H506 M552L504-K529 PolarHBondContact O-N 3.3Å; C505-K529 HydrophobicContact CB-CB 4.3Å; H506-K529 PolarHBondContact N-O 3.39Å; H506-K529 WeakPolarHBondContact NE2-CE 3.33Å; K529-M552 CarbonylContact C-O 3.23Å; K529-M552 WeakPolarHBondContact CA-O 3.32Å; K529-M552 HydrophobicContact CB-CB 4.24Å; K529-M552 HydrophobicContact CG-CB 4.21Å
530F91.3Very high90.4Very high5 Ų544.2 Ų44.22%0.02223%0.23CC..  trans-140.6155.3-172.956.1-84.6000111V528 D532 E535 I536 L551 M552 G553 L555V528-F530 HydrophobicContact CG1-CD1 4.07Å; F530-D532 WeakPolarHBondContact CD2-O 3.43Å; F530-E535 WeakPolarHBondContact CA-OE2 3.31Å; F530-E535 HydrophobicContact CB-CB 3.96Å; F530-I536 HydrophobicContact CB-CG1 4.43Å; F530-I536 HydrophobicContact CD1-CD1 3.96Å; F530-I536 HydrophobicContact CD1-CG1 3.74Å; F530-I536 HydrophobicContact CD2-CD1 4.13Å; F530-I536 HydrophobicContact CD2-CG1 4.09Å; F530-I536 HydrophobicContact CE1-CD1 3.66Å; F530-I536 HydrophobicContact CE1-CG1 3.98Å; F530-I536 HydrophobicContact CE2-CD1 3.83Å; F530-I536 HydrophobicContact CE2-CG1 4.31Å; F530-I536 HydrophobicContact CG-CD1 4.2Å; F530-I536 HydrophobicContact CG-CG1 3.81Å; F530-I536 HydrophobicContact CZ-CD1 3.61Å; F530-I536 HydrophobicContact CZ-CG1 4.28Å; F530-L551 HydrophobicContact CE1-CB 4.13Å; F530-M552 PolarHBondContact N-O 3.02Å; F530-G553 WeakPolarHBondContact O-CA 3.43Å; F530-L555 HydrophobicContact CE2-CD2 3.9Å; F530-L555 HydrophobicContact CE2-CG 4.3Å; F530-L555 HydrophobicContact CZ-CD2 3.46Å; F530-L555 VanDerWaalsContact CZ-CD2 3.46Å; F530-L555 HydrophobicContact CZ-CG 3.84Å
531T87.8Confident90.3Very high95 Ų9541.9 Ų41.958%0.58322%0.222SC*.SBendtrans-94.2-45.4168.163.40000111.5H506 E535H506-T531 WeakPolarHBondContact CE1-CG2 3.2Å; T531-E535 PolarHBondContact N-OE1 3.21Å; T531-E535 VanDerWaalsContact N-OE1 3.17Å; T531-E535 PolarHBondContact N-OE2 2.98Å; T531-E535 PolarHBondContact OG1-OE1 3.4Å
532D83.2Confident90.3Very high80 Ų8041.8 Ų41.843%0.42822%0.221SC..SBendtrans-110.9149.1176.3-168.38.6000111.3F530 A534 E535F530-D532 WeakPolarHBondContact CD2-O 3.43Å; D532-A534 PolarHBondContact O-N 3.5Å; D532-E535 PolarHBondContact N-OE1 2.93Å; D532-E535 VanDerWaalsContact N-OE1 3.08Å; D532-E535 WeakPolarHBondContact O-CB 3.38Å; D532-E535 PolarHBondContact O-N 3Å; D532-E535 VanDerWaalsContact O-N 3.1Å
533V82Confident90.3Very high22 Ų2237.7 Ų37.713%0.13320%0.202CC..G310 helixtrans-61.1-30.7178-179.50000111.1E535 I536 G564V533-E535 PolarHBondContact O-N 3.3Å; V533-I536 HydrophobicContact CG1-CD1 4.32Å; V533-I536 WeakPolarHBondContact O-CB 3.19Å; V533-I536 WeakPolarHBondContact O-CG1 3.28Å; V533-I536 PolarHBondContact O-N 3.42Å; V533-G564 WeakPolarHBondContact CG1-O 3.41Å
534A82.4Confident90.1Very high86 Ų8644.3 Ų44.371%0.71123%0.227SC*.G310 helixtrans-62.8-19.9177.300000113.7D532 I536D532-A534 PolarHBondContact O-N 3.5Å; A534-I536 VanDerWaalsContact C-N 3.3Å
535E85.7Confident89.9Confident37 Ų3741.5 Ų41.517%0.17322%0.222CC..G310 helixtrans-74.6-21174.4-65.1169.9-135.800112.4H506 F530 T531 D532 V533 P537H506-E535 IonicContact ND1-OE2 3.97Å; F530-E535 WeakPolarHBondContact CA-OE2 3.31Å; F530-E535 HydrophobicContact CB-CB 3.96Å; T531-E535 PolarHBondContact N-OE1 3.21Å; T531-E535 VanDerWaalsContact N-OE1 3.17Å; T531-E535 PolarHBondContact N-OE2 2.98Å; T531-E535 PolarHBondContact OG1-OE1 3.4Å; D532-E535 PolarHBondContact N-OE1 2.93Å; D532-E535 VanDerWaalsContact N-OE1 3.08Å; D532-E535 WeakPolarHBondContact O-CB 3.38Å; D532-E535 PolarHBondContact O-N 3Å; D532-E535 VanDerWaalsContact O-N 3.1Å; V533-E535 PolarHBondContact O-N 3.3Å; E535-P537 WeakPolarHBondContact O-CD 3.47Å
536I88.8Confident89.9Confident10 Ų1038.8 Ų38.85%0.05121%0.212CC..SBendtrans-71.7116.3-179.8-53.5175.3000108.5F530 V533 A534 Y541 L555F530-I536 HydrophobicContact CB-CG1 4.43Å; F530-I536 HydrophobicContact CD1-CD1 3.96Å; F530-I536 HydrophobicContact CD1-CG1 3.74Å; F530-I536 HydrophobicContact CD2-CD1 4.13Å; F530-I536 HydrophobicContact CD2-CG1 4.09Å; F530-I536 HydrophobicContact CE1-CD1 3.66Å; F530-I536 HydrophobicContact CE1-CG1 3.98Å; F530-I536 HydrophobicContact CE2-CD1 3.83Å; F530-I536 HydrophobicContact CE2-CG1 4.31Å; F530-I536 HydrophobicContact CG-CD1 4.2Å; F530-I536 HydrophobicContact CG-CG1 3.81Å; F530-I536 HydrophobicContact CZ-CD1 3.61Å; F530-I536 HydrophobicContact CZ-CG1 4.28Å; V533-I536 HydrophobicContact CG1-CD1 4.32Å; V533-I536 WeakPolarHBondContact O-CB 3.19Å; V533-I536 WeakPolarHBondContact O-CG1 3.28Å; V533-I536 PolarHBondContact O-N 3.42Å; A534-I536 VanDerWaalsContact C-N 3.3Å; I536-Y541 HydrophobicContact CG2-CE2 4.37Å; I536-L555 HydrophobicContact CD1-CD2 4.11Å
537P88.8Confident89.8Confident7 Ų744 Ų445%0.04523%0.231CC..  trans-70.3132.4-177.6-18.231.9000111.8L504 A509 E535 W539 V540L504-P537 HydrophobicContact CD1-CG 4.35Å; A509-P537 HydrophobicContact CB-CG 4.08Å; E535-P537 WeakPolarHBondContact O-CD 3.47Å; P537-W539 VanDerWaalsContact CB-CD1 3.49Å; P537-W539 HydrophobicContact CB-CD2 4.21Å; P537-W539 HydrophobicContact CB-CG 4.17Å; P537-W539 HydrophobicContact CB-CZ2 4.09Å; P537-W539 HydrophobicContact CG-CZ2 4.14Å; P537-W539 PolarHBondContact O-N 3.11Å; P537-W539 VanDerWaalsContact O-N 3.13Å; P537-V540 HydrophobicContact CB-CG2 4.19Å; P537-V540 HydrophobicContact CG-CG2 4.32Å; P537-V540 VanDerWaalsContact O-CB 3.27Å; P537-V540 WeakPolarHBondContact O-CB 3.12Å; P537-V540 VanDerWaalsContact O-CG2 3.3Å; P537-V540 WeakPolarHBondContact O-CG2 3.22Å; P537-V540 PolarHBondContact O-N 3.17Å
538P88.1Confident89.8Confident77 Ų7744.8 Ų44.850%0.524%0.235SC..G310 helixtrans-60.2-28.7-177.6-26.134000114V540 Y541P538-V540 PolarHBondContact O-N 3.36Å; P538-Y541 PolarHBondContact O-N 3.39Å
539W90.3Very high89.8Confident22 Ų2244.6 Ų44.68%0.08323%0.234CC..G310 helixtrans-65.1-17.7178.761.8-101.6000113.4L502 L504 A509 V511 F516 L519 P537 Y541 L542 L543L502-W539 HydrophobicContact CD2-CH2 4.16Å; L504-W539 HydrophobicContact CD1-CH2 4.29Å; L504-W539 HydrophobicContact CD1-CZ2 4.17Å; A509-W539 HydrophobicContact CB-CZ2 4.09Å; A509-W539 PolarHBondContact O-NE1 3.05Å; V511-W539 HydrophobicContact CG2-CD2 3.92Å; V511-W539 VanDerWaalsContact CG2-CE2 3.4Å; V511-W539 HydrophobicContact CG2-CG 4.3Å; V511-W539 HydrophobicContact CG2-CH2 4.36Å; V511-W539 HydrophobicContact CG2-CZ2 3.68Å; F516-W539 HydrophobicContact CD2-CB 3.98Å; F516-W539 HydrophobicContact CD2-CE3 4.46Å; F516-W539 HydrophobicContact CE2-CB 3.81Å; F516-W539 HydrophobicContact CE2-CE3 4.47Å; L519-W539 HydrophobicContact CD1-CH2 4.5Å; L519-W539 HydrophobicContact CD1-CZ3 4.46Å; P537-W539 VanDerWaalsContact CB-CD1 3.49Å; P537-W539 HydrophobicContact CB-CD2 4.21Å; P537-W539 HydrophobicContact CB-CG 4.17Å; P537-W539 HydrophobicContact CB-CZ2 4.09Å; P537-W539 HydrophobicContact CG-CZ2 4.14Å; P537-W539 PolarHBondContact O-N 3.11Å; P537-W539 VanDerWaalsContact O-N 3.13Å; W539-Y541 PolarHBondContact O-N 2.92Å; W539-L542 PolarHBondContact O-N 3.26Å; W539-L542 VanDerWaalsContact O-N 3.1Å; W539-L543 HydrophobicContact CE3-CD1 4.34Å; W539-L543 HydrophobicContact CE3-CD2 4.02Å; W539-L543 HydrophobicContact CE3-CG 4.29Å; W539-L543 HydrophobicContact CZ3-CD1 4Å; W539-L543 HydrophobicContact CZ3-CD2 4.06Å; W539-L543 HydrophobicContact CZ3-CG 4.37Å
540V91.5Very high89.9Confident0 Ų042.4 Ų42.40%022%0.223CC..G310 helixtrans-58.2-38.4175.7168.90000111.4L526 P537 P538 L542 L543 L549L526-V540 HydrophobicContact CD2-CB 4.07Å; L526-V540 HydrophobicContact CD2-CG1 3.38Å; L526-V540 HydrophobicContact CD2-CG2 3.63Å; P537-V540 HydrophobicContact CB-CG2 4.19Å; P537-V540 HydrophobicContact CG-CG2 4.32Å; P537-V540 VanDerWaalsContact O-CB 3.27Å; P537-V540 WeakPolarHBondContact O-CB 3.12Å; P537-V540 VanDerWaalsContact O-CG2 3.3Å; P537-V540 WeakPolarHBondContact O-CG2 3.22Å; P537-V540 PolarHBondContact O-N 3.17Å; P538-V540 PolarHBondContact O-N 3.36Å; V540-L542 PolarHBondContact O-N 3.21Å; V540-L543 WeakPolarHBondContact O-CG 3.31Å; V540-L543 PolarHBondContact O-N 3.23Å; V540-L549 HydrophobicContact CG1-CD1 4.14Å
541Y88.5Confident90Very high8 Ų842.2 Ų42.23%0.03122%0.222CC..G310 helixtrans-73.7-10.6-178.9-55.8-63.7000113.6I536 P538 W539 L565 E566 M568I536-Y541 HydrophobicContact CG2-CE2 4.37Å; P538-Y541 PolarHBondContact O-N 3.39Å; W539-Y541 PolarHBondContact O-N 2.92Å; Y541-L565 HydrophobicContact CE1-CD2 4.44Å; Y541-E566 HydrophobicContact CD2-CB 3.77Å; Y541-E566 HydrophobicContact CD2-CG 4.18Å; Y541-E566 HydrophobicContact CE2-CB 3.82Å; Y541-E566 HydrophobicContact CE2-CG 3.94Å; Y541-E566 HydrophobicContact CG-CB 4.32Å; Y541-M568 HydrophobicContact CD1-CG 3.9Å; Y541-M568 HydrophobicContact CE1-CG 4.22Å
542L90Very high90.3Very high67 Ų6740.8 Ų40.835%0.35121%0.21SC..G310 helixtrans-100.61.8-176.7-57.7175.7000113F516 R520 W539 V540 R544F516-L542 HydrophobicContact CE2-CB 4.23Å; F516-L542 HydrophobicContact CZ-CB 3.64Å; F516-L542 HydrophobicContact CZ-CD1 4.36Å; R520-L542 WeakPolarHBondContact CG-O 3.48Å; W539-L542 PolarHBondContact O-N 3.26Å; W539-L542 VanDerWaalsContact O-N 3.1Å; V540-L542 PolarHBondContact O-N 3.21Å; L542-R544 PolarHBondContact O-N 3.17Å
543L90.6Very high90.6Very high0 Ų037.9 Ų37.90%020%0.199CC..  trans-75.1108.8-177.9-63.4172.5000111.7F516 L519 R520 L523 L526 W539 V540 L546 L571F516-L543 HydrophobicContact CE2-CD2 4.24Å; L519-L543 HydrophobicContact CB-CD2 4.37Å; R520-L543 HydrophobicContact CB-CD2 4.49Å; L523-L543 HydrophobicContact CD2-CD1 3.96Å; L526-L543 HydrophobicContact CD2-CD1 4.01Å; W539-L543 HydrophobicContact CE3-CD1 4.34Å; W539-L543 HydrophobicContact CE3-CD2 4.02Å; W539-L543 HydrophobicContact CE3-CG 4.29Å; W539-L543 HydrophobicContact CZ3-CD1 4Å; W539-L543 HydrophobicContact CZ3-CD2 4.06Å; W539-L543 HydrophobicContact CZ3-CG 4.37Å; V540-L543 WeakPolarHBondContact O-CG 3.31Å; V540-L543 PolarHBondContact O-N 3.23Å; L543-L546 HydrophobicContact CB-CB 4Å; L543-L546 HydrophobicContact CD1-CD1 4.29Å; L543-L546 HydrophobicContact CD1-CD2 4.28Å; L543-L571 HydrophobicContact CB-CD2 4.23Å; L543-L571 WeakPolarHBondContact O-CD2 3.43Å
544R89.2Confident90.8Very high140 Ų14040.1 Ų40.153%0.52821%0.21SC..THydrogen-bonded Turntrans-77-34.9-171.4-67.3179178.9179-0.4113.6R520 L542 H573R520-R544 HydrophobicContact CG-CB 4.18Å; R520-R544 HydrophobicContact CG-CG 3.96Å; R520-R544 PolarHBondContact O-N 3.49Å; L542-R544 PolarHBondContact O-N 3.17Å; R544-H573 PolarHBondContact O-ND1 3.32Å
545S91.4Very high90.7Very high36 Ų3636 Ų3625%0.25218%0.176SC..THydrogen-bonded Turntrans-890.3-176.3-69.40000114.3R520 D521 L523 R547R520-S545 PolarHBondContact O-N 3.41Å; R520-S545 VanDerWaalsContact O-N 3.09Å; D521-S545 WeakPolarHBondContact O-CB 3.15Å; D521-S545 PolarHBondContact O-OG 3.02Å; L523-S545 CarbonylContact O-C 3.58Å; S545-R547 PolarHBondContact O-N 3.43Å
546L94.8Very high90.2Very high0 Ų036.5 Ų36.50%018%0.18CC..  trans-65.4128.1-176.4-164.372.5000111L523 L526 L543 L549 L571 H573 L574L523-L546 HydrophobicContact CD2-CD1 4.46Å; L523-L546 HydrophobicContact CG-CD1 4.43Å; L523-L546 WeakPolarHBondContact O-CA 3.27Å; L523-L546 PolarHBondContact O-N 3.27Å; L526-L546 HydrophobicContact CB-CD1 3.71Å; L526-L546 HydrophobicContact CB-CD2 4.41Å; L543-L546 HydrophobicContact CB-CB 4Å; L543-L546 HydrophobicContact CD1-CD1 4.29Å; L543-L546 HydrophobicContact CD1-CD2 4.28Å; L546-L549 HydrophobicContact CD2-CB 3.96Å; L546-L549 HydrophobicContact CD2-CD1 4.09Å; L546-L549 HydrophobicContact CD2-CG 4.42Å; L546-L571 HydrophobicContact CD2-CD2 4.29Å; L546-H573 CarbonylContact O-C 3.4Å; L546-L574 HydrophobicContact CD2-CD1 4.11Å; L546-L574 HydrophobicContact CG-CD1 4.17Å; L546-L574 WeakPolarHBondContact O-CA 3.34Å; L546-L574 PolarHBondContact O-N 3.42Å; L546-L574 VanDerWaalsContact O-N 3.16Å
547R95.2Very high89Confident108 Ų10837.4 Ų37.441%0.40819%0.187SC..  trans-107.3-35.6-179.5-63.5-177.3-179.6-178.10.1112.3R524 S545 K575 T576R524-R547 WeakPolarHBondContact O-CA 3.41Å; R524-R547 PolarHBondContact O-N 3.18Å; S545-R547 PolarHBondContact O-N 3.43Å; R547-K575 PolarHBondContact O-N 3.3Å; R547-T576 PolarHBondContact O-N 3.08Å
548E96.4Very high87.3Confident48 Ų4846.7 Ų46.722%0.22423%0.23CC..EExtended strand (participates in β ladder)trans-130.9131.1179.5-45.3-175.7-179.700110.7R524 R525 L526 Y550 T576R524-E548 PolarHBondContact O-N 2.95Å; R525-E548 WeakPolarHBondContact CA-O 3.35Å; R525-E548 WeakPolarHBondContact CD-OE2 3.37Å; R525-E548 HydrophobicContact CG-CB 4Å; R525-E548 HydrophobicContact CG-CG 4.03Å; L526-E548 PolarHBondContact N-O 3.13Å; E548-Y550 HydrophobicContact CB-CD2 4.45Å; E548-Y550 HydrophobicContact CB-CE2 3.68Å; E548-Y550 WeakPolarHBondContact OE2-CE2 3.17Å; E548-Y550 PolarHBondContact OE2-OH 3.47Å; E548-T576 WeakPolarHBondContact CA-O 3.48Å
549L95.8Very high85.5Confident0 Ų050 Ų500%024%0.244CC..EExtended strand (participates in β ladder)trans-126.9124.6177.3179.360.9000109.4L526 V540 L546 L551 L571 L574 T576 L577 C578L526-L549 HydrophobicContact CB-CD1 4.17Å; L526-L549 HydrophobicContact CD2-CD1 3.95Å; L526-L549 HydrophobicContact CG-CD1 4.24Å; V540-L549 HydrophobicContact CG1-CD1 4.14Å; L546-L549 HydrophobicContact CD2-CB 3.96Å; L546-L549 HydrophobicContact CD2-CD1 4.09Å; L546-L549 HydrophobicContact CD2-CG 4.42Å; L549-L551 HydrophobicContact CD1-CD2 3.89Å; L549-L551 HydrophobicContact CD1-CG 4.31Å; L549-L551 HydrophobicContact CD2-CD1 4.26Å; L549-L551 HydrophobicContact CD2-CD2 4.45Å; L549-L551 HydrophobicContact CD2-CG 4.27Å; L549-L551 HydrophobicContact CG-CD2 4.18Å; L549-L551 HydrophobicContact CG-CG 4.05Å; L549-L571 HydrophobicContact CD2-CD1 4.19Å; L549-L574 HydrophobicContact CB-CD1 3.69Å; L549-L574 HydrophobicContact CB-CD2 4.41Å; L549-T576 PolarHBondContact N-O 3.45Å; L549-L577 HydrophobicContact CB-CD1 4.04Å; L549-L577 HydrophobicContact CD2-CD1 3.96Å; L549-L577 HydrophobicContact CG-CD1 4.06Å; L549-L577 WeakPolarHBondContact O-CA 3.43Å; L549-C578 PolarHBondContact O-N 3.03Å
550Y96.1Very high83.6Confident42 Ų4253.7 Ų53.717%0.16527%0.265CS..EExtended strand (participates in β ladder)trans-116.5114.2176.2-58.7-101.9000108.7L526 H527 V528 E548 C578L526-Y550 PolarHBondContact O-N 3.45Å; H527-Y550 AromaticContact CD2-CD2 3.83Å; H527-Y550 AromaticContact CE1-CD1 3.8Å; H527-Y550 AromaticContact CE1-CD2 3.11Å; H527-Y550 WeakPolarHBondContact CE1-CD2 3.47Å; H527-Y550 AromaticContact CE1-CE2 3.42Å; H527-Y550 VanDerWaalsContact CE1-CE2 3.42Å; H527-Y550 WeakPolarHBondContact CE1-CE2 3.49Å; H527-Y550 AromaticContact CE1-CG 3.34Å; H527-Y550 AromaticContact CE1-CZ 3.91Å; H527-Y550 AromaticContact CG-CD2 3.92Å; H527-Y550 WeakPolarHBondContact ND1-CB 3.35Å; H527-Y550 AromaticContact ND1-CD2 3.5Å; H527-Y550 AromaticContact ND1-CG 3.4Å; H527-Y550 AromaticContact NE2-CD2 3.31Å; H527-Y550 VanDerWaalsContact NE2-CD2 3.31Å; H527-Y550 WeakPolarHBondContact NE2-CD2 3.24Å; H527-Y550 AromaticContact NE2-CE2 3.46Å; H527-Y550 WeakPolarHBondContact NE2-CE2 3.46Å; V528-Y550 PolarHBondContact N-O 3.31Å; E548-Y550 HydrophobicContact CB-CD2 4.45Å; E548-Y550 HydrophobicContact CB-CE2 3.68Å; E548-Y550 WeakPolarHBondContact OE2-CE2 3.17Å; E548-Y550 PolarHBondContact OE2-OH 3.47Å; Y550-C578 WeakPolarHBondContact CA-O 3.33Å; Y550-C578 HydrophobicContact CD1-CB 3.26Å; Y550-C578 HydrophobicContact CE1-CB 3.77Å; Y550-C578 HydrophobicContact CG-CB 3.97Å
551L93.8Very high81.6Confident1 Ų164.4 Ų64.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-110.2117.8175.9-61-179.6000108.7V528 F530 L549 L565 C578 L579 K580V528-L551 HydrophobicContact CB-CD2 3.89Å; V528-L551 HydrophobicContact CG2-CD2 4.12Å; V528-L551 WeakPolarHBondContact O-CA 3.31Å; F530-L551 HydrophobicContact CE1-CB 4.13Å; L549-L551 HydrophobicContact CD1-CD2 3.89Å; L549-L551 HydrophobicContact CD1-CG 4.31Å; L549-L551 HydrophobicContact CD2-CD1 4.26Å; L549-L551 HydrophobicContact CD2-CD2 4.45Å; L549-L551 HydrophobicContact CD2-CG 4.27Å; L549-L551 HydrophobicContact CG-CD2 4.18Å; L549-L551 HydrophobicContact CG-CG 4.05Å; L551-L565 HydrophobicContact CD1-CD2 3.66Å; L551-C578 PolarHBondContact N-O 3.1Å; L551-L579 HydrophobicContact CB-CD2 3.93Å; L551-L579 HydrophobicContact CD1-CD2 3.92Å; L551-L579 HydrophobicContact CG-CD2 4.27Å; L551-K580 PolarHBondContact O-N 3.4Å
552M93.6Very high80Confident65 Ų6569.6 Ų69.632%0.3234%0.337SS..EExtended strand (participates in β ladder)trans-124.6107.9-177.6-55.6-171.5-175.300110.2V528 K529 F530 K580V528-M552 PolarHBondContact O-N 2.81Å; K529-M552 CarbonylContact C-O 3.23Å; K529-M552 WeakPolarHBondContact CA-O 3.32Å; K529-M552 HydrophobicContact CB-CB 4.24Å; K529-M552 HydrophobicContact CG-CB 4.21Å; F530-M552 PolarHBondContact N-O 3.02Å; M552-K580 CarbonylContact C-O 3.25Å; M552-K580 WeakPolarHBondContact CA-O 3.45Å; M552-K580 HydrophobicContact CB-CB 4.31Å; M552-K580 HydrophobicContact CG-CB 4.06Å
553G89.6Confident78.7Confident19 Ų1967.9 Ų67.920%0.19633%0.328CS..SBendtrans161.6176.8-175.300000111.8F530 L555 K580 S581F530-G553 WeakPolarHBondContact O-CA 3.43Å; G553-L555 PolarHBondContact O-N 2.94Å; G553-K580 PolarHBondContact N-O 2.91Å; G553-S581 VanDerWaalsContact O-CA 3.24Å; G553-S581 WeakPolarHBondContact O-CA 3.14Å; G553-S581 WeakPolarHBondContact O-CB 3.43Å; G553-S581 PolarHBondContact O-OG 3.36Å; G553-S581 VanDerWaalsContact O-OG 3.06Å
554N86Confident77.2Confident69 Ų6968.6 Ų68.637%0.36934%0.336SS..  trans-83.4107.3179.2-173.815.3000110.8N556N554-N556 PolarHBondContact ND2-O 3.33Å; N554-N556 PolarHBondContact OD1-N 3.48Å; N554-N556 PolarHBondContact OD1-O 2.62Å
555L81.4Confident76.5Confident0 Ų062.4 Ų62.40%031%0.313CS..  trans-83.6-9.6175.6-68.8168.5000113.8F530 I536 G553 S557 I563 G564 L565 L579 S581 L583F530-L555 HydrophobicContact CE2-CD2 3.9Å; F530-L555 HydrophobicContact CE2-CG 4.3Å; F530-L555 HydrophobicContact CZ-CD2 3.46Å; F530-L555 VanDerWaalsContact CZ-CD2 3.46Å; F530-L555 HydrophobicContact CZ-CG 3.84Å; I536-L555 HydrophobicContact CD1-CD2 4.11Å; G553-L555 PolarHBondContact O-N 2.94Å; L555-S557 PolarHBondContact O-N 2.87Å; L555-I563 HydrophobicContact CB-CG2 3.79Å; L555-G564 PolarHBondContact O-N 3.06Å; L555-L565 HydrophobicContact CD1-CD2 4.45Å; L555-L565 HydrophobicContact CD2-CD2 3.82Å; L555-L565 HydrophobicContact CD2-CG 4.28Å; L555-L579 HydrophobicContact CD1-CD2 4.48Å; L555-S581 WeakPolarHBondContact CB-OG 3.17Å; L555-S581 PolarHBondContact N-OG 3.07Å; L555-L583 HydrophobicContact CB-CD2 4.03Å; L555-L583 HydrophobicContact CD1-CD2 4.01Å
556N75.2Confident75.9Confident47 Ų4765.7 Ų65.725%0.25133%0.325SS..  trans-85.5104.3174.3-69-5.3000108.9N554 N582N554-N556 PolarHBondContact ND2-O 3.33Å; N554-N556 PolarHBondContact OD1-N 3.48Å; N554-N556 PolarHBondContact OD1-O 2.62Å; N556-N582 PolarHBondContact ND2-O 3.27Å
557S62.4Low75.2Confident29 Ų2968.2 Ų68.220%0.20334%0.342CS..  trans-92.5127.6168-177.90000109L555 N559 N560L555-S557 PolarHBondContact O-N 2.87Å; S557-N559 PolarHBondContact O-N 3.33Å; S557-N559 VanDerWaalsContact O-N 3.09Å; S557-N559 PolarHBondContact OG-N 3.28Å; S557-N560 PolarHBondContact O-N 3.46Å
558E52.6Low74.6Confident202 Ų20263.1 Ų63.194%0.94432%0.323SS*.THydrogen-bonded Turntrans-58.1-22.2174.9-63.5-160.4159.800112.5
559N50.8Low73.9Confident148 Ų14868.8 Ų68.879%0.79134%0.342SS*.THydrogen-bonded Turntrans-90.1-18.4-175.1-65.7-26.8000114.1S557S557-N559 PolarHBondContact O-N 3.33Å; S557-N559 VanDerWaalsContact O-N 3.09Å; S557-N559 PolarHBondContact OG-N 3.28Å
560N51.1Low73.3Confident99 Ų9971.9 Ų71.953%0.52936%0.359SS..  trans-114.3119.7-178.3-76.7-35000111S557 M562S557-N560 PolarHBondContact O-N 3.46Å; N560-M562 WeakPolarHBondContact CB-O 3.49Å; N560-M562 PolarHBondContact O-N 3.47Å; N560-M562 VanDerWaalsContact O-N 3.1Å
561K48.7Very low72.9Confident224 Ų22470 Ų7097%0.97435%0.351SS*.SBendtrans-61.2-16.6172-77.9-1771781760113.3
562M56Low72.4Confident117 Ų11777.6 Ų77.658%0.57638%0.38SS*.SBendtrans-106.6138.4176.7-65.6-65.3-7300109.4N560 G564N560-M562 WeakPolarHBondContact CB-O 3.49Å; N560-M562 PolarHBondContact O-N 3.47Å; N560-M562 VanDerWaalsContact O-N 3.1Å; M562-G564 PolarHBondContact O-N 2.97Å
563I61.5Low72.3Confident31 Ų3180 Ų8016%0.15939%0.39CS..  trans-56.5132.7171.5-59.1168.3000107.4L555 L565 L583 K585 P587L555-I563 HydrophobicContact CB-CG2 3.79Å; I563-L565 PolarHBondContact O-N 3.49Å; I563-L583 HydrophobicContact CD1-CD2 4.48Å; I563-L583 HydrophobicContact CG2-CD2 4.17Å; I563-K585 WeakPolarHBondContact CD1-O 3.44Å; I563-P587 HydrophobicContact CB-CB 4.41Å; I563-P587 HydrophobicContact CB-CG 4.27Å; I563-P587 HydrophobicContact CD1-CB 4.12Å; I563-P587 HydrophobicContact CD1-CG 3.67Å; I563-P587 HydrophobicContact CG2-CB 4.44Å; I563-P587 HydrophobicContact CG2-CG 3.9Å
564G59.9Low72.4Confident15 Ų1579 Ų7916%0.15538%0.381CS..SBendtrans-65.522.1-163.400000118V533 L555 M562V533-G564 WeakPolarHBondContact CG1-O 3.41Å; L555-G564 PolarHBondContact O-N 3.06Å; M562-G564 PolarHBondContact O-N 2.97Å
565L73.7Confident72.8Confident10 Ų1080.8 Ų80.85%0.05239%0.385CS..  trans-89.5131.7176.3-61.3175.4000110Y541 L551 L555 I563 M568 P587 N589 I590Y541-L565 HydrophobicContact CE1-CD2 4.44Å; L551-L565 HydrophobicContact CD1-CD2 3.66Å; L555-L565 HydrophobicContact CD1-CD2 4.45Å; L555-L565 HydrophobicContact CD2-CD2 3.82Å; L555-L565 HydrophobicContact CD2-CG 4.28Å; I563-L565 PolarHBondContact O-N 3.49Å; L565-M568 HydrophobicContact CD1-CE 4.06Å; L565-P587 HydrophobicContact CD1-CB 4Å; L565-P587 HydrophobicContact CD1-CG 3.97Å; L565-N589 PolarHBondContact O-ND2 3.34Å; L565-I590 HydrophobicContact CD1-CG1 4.49Å
566E79.1Confident73.5Confident106 Ų10681.4 Ų81.450%0.49539%0.389SS..  trans-75.4-176.3169.4-61.1-167.2161.400111.6Y541 M568 N589Y541-E566 HydrophobicContact CD2-CB 3.77Å; Y541-E566 HydrophobicContact CD2-CG 4.18Å; Y541-E566 HydrophobicContact CE2-CB 3.82Å; Y541-E566 HydrophobicContact CE2-CG 3.94Å; Y541-E566 HydrophobicContact CG-CB 4.32Å; E566-M568 PolarHBondContact O-N 3.16Å; E566-N589 PolarHBondContact O-ND2 3.2Å
567S80.1Confident74.5Confident52 Ų5279.2 Ų79.236%0.36438%0.377SS..  trans-64.7122.8176.8164.20000110.2R569 E592S567-R569 VanDerWaalsContact C-N 3.35Å; S567-E592 PolarHBondContact OG-OE2 3.34Å
568M82.9Confident76.1Confident1 Ų178.2 Ų78.21%0.00537%0.37CS..  trans-97.212.6-178.9-67.9-170.1-79.800112.8Y541 L565 E566 D570 L571 N589 I590 E592 L593Y541-M568 HydrophobicContact CD1-CG 3.9Å; Y541-M568 HydrophobicContact CE1-CG 4.22Å; L565-M568 HydrophobicContact CD1-CE 4.06Å; E566-M568 PolarHBondContact O-N 3.16Å; M568-D570 PolarHBondContact O-N 3.06Å; M568-D570 VanDerWaalsContact O-N 3.11Å; M568-L571 HydrophobicContact CB-CD1 4.24Å; M568-L571 HydrophobicContact CG-CD1 4.31Å; M568-L571 PolarHBondContact O-N 3.5Å; M568-L571 VanDerWaalsContact O-N 3.14Å; M568-N589 HydrophobicContact CE-CB 4.08Å; M568-I590 HydrophobicContact CE-CB 4.26Å; M568-I590 HydrophobicContact CE-CG1 3.62Å; M568-E592 PolarHBondContact N-OE2 3.23Å; M568-L593 HydrophobicContact CB-CD1 3.93Å; M568-L593 HydrophobicContact CB-CD2 3.98Å; M568-L593 HydrophobicContact CB-CG 3.97Å; M568-L593 HydrophobicContact CE-CD1 3.87Å; M568-L593 VanDerWaalsContact O-CD2 3.29Å; M568-L593 WeakPolarHBondContact O-CD2 3.46Å; M568-L593 HydrophobicContact SD-CD1 3.79Å
569R81.8Confident78Confident167 Ų16768.6 Ų68.663%0.6333%0.325SS*.THydrogen-bonded Turntrans-57.8-25.8-174.7-135.4-177.2-67.1175.1-0.9114.9S567 E592S567-R569 VanDerWaalsContact C-N 3.35Å; R569-E592 IonicContact CZ-OE1 2.63Å; R569-E592 IonicContact NE-OE1 3.33Å; R569-E592 IonicContact NH2-OE1 2.86Å; R569-E592 PolarHBondContact NH2-OE1 2.93Å
570D83.4Confident80Confident66 Ų6665.3 Ų65.335%0.35330%0.304SS..THydrogen-bonded Turntrans-85.9-11.8-177.7-71.9-43000114.1M568 R572M568-D570 PolarHBondContact O-N 3.06Å; M568-D570 VanDerWaalsContact O-N 3.11Å; D570-R572 PolarHBondContact O-N 3.2Å
571L87.3Confident81.8Confident1 Ų160.8 Ų60.81%0.00528%0.28CS..  trans-80.257.4177.5-58.3-179.9000112.1L543 L546 L549 M568 H573 L574 L593L543-L571 HydrophobicContact CB-CD2 4.23Å; L543-L571 WeakPolarHBondContact O-CD2 3.43Å; L546-L571 HydrophobicContact CD2-CD2 4.29Å; L549-L571 HydrophobicContact CD2-CD1 4.19Å; M568-L571 HydrophobicContact CB-CD1 4.24Å; M568-L571 HydrophobicContact CG-CD1 4.31Å; M568-L571 PolarHBondContact O-N 3.5Å; M568-L571 VanDerWaalsContact O-N 3.14Å; L571-H573 VanDerWaalsContact C-N 3.26Å; L571-H573 PolarHBondContact O-N 3.21Å; L571-L574 HydrophobicContact CB-CB 4.1Å; L571-L574 HydrophobicContact CD1-CD2 4.21Å; L571-L574 WeakPolarHBondContact O-CB 3.47Å; L571-L574 PolarHBondContact O-N 3.37Å; L571-L593 HydrophobicContact CB-CD2 4.03Å
572R84.4Confident83.7Confident161 Ų16153 Ų5361%0.60825%0.249SC*.THydrogen-bonded Turntrans-65.9-22.8-169.3-60-176.9-172.3-1722114.9D570 H596D570-R572 PolarHBondContact O-N 3.2Å; R572-H596 PolarHBondContact O-CD2 2.91Å
573H89.7Confident85.1Confident115 Ų11547.4 Ų47.453%0.53222%0.221SC..THydrogen-bonded Turntrans-101.15.9-178.7-61.998.1000113.5R544 L546 L571 K575R544-H573 PolarHBondContact O-ND1 3.32Å; L546-H573 CarbonylContact O-C 3.4Å; L571-H573 VanDerWaalsContact C-N 3.26Å; L571-H573 PolarHBondContact O-N 3.21Å; H573-K575 PolarHBondContact O-N 2.94Å
574L93.3Very high86.2Confident0 Ų048.9 Ų48.90%023%0.232CC..  trans-69.5118.2-177.6-167.775.4000110.2L546 L549 L571 L577 L593 H596 L597L546-L574 HydrophobicContact CD2-CD1 4.11Å; L546-L574 HydrophobicContact CG-CD1 4.17Å; L546-L574 WeakPolarHBondContact O-CA 3.34Å; L546-L574 PolarHBondContact O-N 3.42Å; L546-L574 VanDerWaalsContact O-N 3.16Å; L549-L574 HydrophobicContact CB-CD1 3.69Å; L549-L574 HydrophobicContact CB-CD2 4.41Å; L571-L574 HydrophobicContact CB-CB 4.1Å; L571-L574 HydrophobicContact CD1-CD2 4.21Å; L571-L574 WeakPolarHBondContact O-CB 3.47Å; L571-L574 PolarHBondContact O-N 3.37Å; L574-L577 HydrophobicContact CD2-CB 4.38Å; L574-L577 HydrophobicContact CD2-CD1 4.48Å; L574-L593 HydrophobicContact CD2-CD1 3.82Å; L574-L593 HydrophobicContact CD2-CD2 4.32Å; L574-H596 CarbonylContact O-C 3.33Å; L574-L597 HydrophobicContact CD2-CD1 4.16Å; L574-L597 HydrophobicContact CG-CD1 4.22Å
575K94.4Very high87.4Confident105 Ų10554 Ų5446%0.45725%0.25SC..  trans-103.2-35.6179.4-67.2-178.1178.5-174.10111.9R547 H573 L598 R599R547-K575 PolarHBondContact O-N 3.3Å; H573-K575 PolarHBondContact O-N 2.94Å; K575-L598 HydrophobicContact CB-CD1 4.4Å; K575-L598 HydrophobicContact CB-CG 4.48Å; K575-L598 HydrophobicContact CD-CD1 4.16Å; K575-L598 HydrophobicContact CG-CD1 4.23Å; K575-L598 PolarHBondContact O-N 3.33Å; K575-R599 PolarHBondContact O-N 2.75Å
576T95.9Very high87.9Confident14 Ų1454 Ų549%0.08625%0.25CS..EExtended strand (participates in β ladder)trans-122.8127.4-176-56.60000110.1R547 E548 L549 R599R547-T576 PolarHBondContact O-N 3.08Å; E548-T576 WeakPolarHBondContact CA-O 3.48Å; L549-T576 PolarHBondContact N-O 3.45Å; T576-R599 WeakPolarHBondContact CA-O 3.47Å; T576-R599 HydrophobicContact CG2-CB 4.15Å; T576-R599 HydrophobicContact CG2-CG 4.12Å
577L95.2Very high88Confident0 Ų049.2 Ų49.20%023%0.228CC..EExtended strand (participates in β ladder)trans-124.5122.3172179.263.7000109L549 L574 L579 I590 L593 L597 R599 L600 M601L549-L577 HydrophobicContact CB-CD1 4.04Å; L549-L577 HydrophobicContact CD2-CD1 3.96Å; L549-L577 HydrophobicContact CG-CD1 4.06Å; L549-L577 WeakPolarHBondContact O-CA 3.43Å; L574-L577 HydrophobicContact CD2-CB 4.38Å; L574-L577 HydrophobicContact CD2-CD1 4.48Å; L577-L579 HydrophobicContact CD1-CD2 3.94Å; L577-L579 HydrophobicContact CD1-CG 4.45Å; L577-L579 HydrophobicContact CD2-CD1 4.28Å; L577-L579 HydrophobicContact CD2-CD2 4.41Å; L577-L579 HydrophobicContact CD2-CG 4.36Å; L577-L579 HydrophobicContact CG-CD2 4.13Å; L577-L579 HydrophobicContact CG-CG 4.11Å; L577-I590 HydrophobicContact CD2-CD1 4.42Å; L577-I590 HydrophobicContact CD2-CG1 4.02Å; L577-I590 HydrophobicContact CD2-CG2 3.9Å; L577-L593 HydrophobicContact CD2-CD1 4.24Å; L577-L597 HydrophobicContact CB-CD1 3.71Å; L577-L597 HydrophobicContact CB-CD2 4.12Å; L577-R599 PolarHBondContact N-O 3.44Å; L577-L600 HydrophobicContact CB-CD1 4.24Å; L577-L600 HydrophobicContact CD2-CD1 4.1Å; L577-L600 HydrophobicContact CG-CD1 4.25Å; L577-M601 PolarHBondContact O-N 2.9Å
578C95.8Very high88.1Confident8 Ų850.3 Ų50.35%0.05423%0.233CC..EExtended strand (participates in β ladder)trans-113.7125.7173.7-1800000109.4L549 Y550 L551 M601L549-C578 PolarHBondContact O-N 3.03Å; Y550-C578 WeakPolarHBondContact CA-O 3.33Å; Y550-C578 HydrophobicContact CD1-CB 3.26Å; Y550-C578 HydrophobicContact CE1-CB 3.77Å; Y550-C578 HydrophobicContact CG-CB 3.97Å; L551-C578 PolarHBondContact N-O 3.1Å; C578-M601 CarbonylContact C-O 3.14Å; C578-M601 WeakPolarHBondContact CA-O 3.31Å; C578-M601 HydrophobicContact CB-CB 4.31Å; C578-M601 HydrophobicContact CB-SD 4.45Å
579L92.9Very high88.1Confident0 Ų051.6 Ų51.60%024%0.239CC..EExtended strand (participates in β ladder)trans-121.1112177.6-58.2177.2000108.4L551 L555 L577 L583 I590 M601 V602 H603L551-L579 HydrophobicContact CB-CD2 3.93Å; L551-L579 HydrophobicContact CD1-CD2 3.92Å; L551-L579 HydrophobicContact CG-CD2 4.27Å; L555-L579 HydrophobicContact CD1-CD2 4.48Å; L577-L579 HydrophobicContact CD1-CD2 3.94Å; L577-L579 HydrophobicContact CD1-CG 4.45Å; L577-L579 HydrophobicContact CD2-CD1 4.28Å; L577-L579 HydrophobicContact CD2-CD2 4.41Å; L577-L579 HydrophobicContact CD2-CG 4.36Å; L577-L579 HydrophobicContact CG-CD2 4.13Å; L577-L579 HydrophobicContact CG-CG 4.11Å; L579-L583 HydrophobicContact CB-CD1 4.49Å; L579-L583 HydrophobicContact CD1-CD1 4.3Å; L579-I590 HydrophobicContact CD1-CD1 3.42Å; L579-I590 VanDerWaalsContact CD1-CD1 3.42Å; L579-I590 HydrophobicContact CD1-CG1 4.41Å; L579-M601 PolarHBondContact N-O 3.39Å; L579-V602 HydrophobicContact CB-CG2 4.42Å; L579-V602 HydrophobicContact CD1-CG2 4.45Å; L579-V602 CarbonylContact O-C 3.54Å; L579-V602 WeakPolarHBondContact O-CA 3.31Å; L579-H603 PolarHBondContact O-N 3.48Å
580K93.4Very high88.3Confident80 Ų8043.9 Ų43.935%0.34821%0.21SC..EExtended strand (participates in β ladder)trans-109.2101.5168.3-179.2171.2-179.6175.10108.6L551 M552 G553 H603 D605L551-K580 PolarHBondContact O-N 3.4Å; M552-K580 CarbonylContact C-O 3.25Å; M552-K580 WeakPolarHBondContact CA-O 3.45Å; M552-K580 HydrophobicContact CB-CB 4.31Å; M552-K580 HydrophobicContact CG-CB 4.06Å; G553-K580 PolarHBondContact N-O 2.91Å; K580-H603 WeakPolarHBondContact CA-O 3.5Å; K580-H603 HydrophobicContact CB-CB 4.27Å; K580-H603 HydrophobicContact CG-CB 4.17Å; K580-D605 WeakPolarHBondContact CE-OD1 3.45Å; K580-D605 WeakPolarHBondContact CE-OD2 3.49Å; K580-D605 IonicContact NZ-OD1 2.7Å
581S89.3Confident88.3Confident3 Ų341.8 Ų41.82%0.02120%0.2CC..SBendtrans-161.2167-171.9175.80000110.4G553 L555 L583 H603 N604G553-S581 VanDerWaalsContact O-CA 3.24Å; G553-S581 WeakPolarHBondContact O-CA 3.14Å; G553-S581 WeakPolarHBondContact O-CB 3.43Å; G553-S581 PolarHBondContact O-OG 3.36Å; G553-S581 VanDerWaalsContact O-OG 3.06Å; L555-S581 WeakPolarHBondContact CB-OG 3.17Å; L555-S581 PolarHBondContact N-OG 3.07Å; S581-L583 VanDerWaalsContact C-N 3.35Å; S581-L583 PolarHBondContact O-N 3.24Å; S581-H603 PolarHBondContact N-O 2.93Å; S581-H603 VanDerWaalsContact N-O 3.11Å; S581-N604 VanDerWaalsContact O-CA 3.27Å; S581-N604 WeakPolarHBondContact O-CA 3.49Å; S581-N604 PolarHBondContact O-OD1 2.99Å
582N87.5Confident88.1Confident60 Ų6044.8 Ų44.832%0.32121%0.214SC..  trans-88.758.2175.6-65.4-20000112.4N556 T584 D605 T607N556-N582 PolarHBondContact ND2-O 3.27Å; N582-T584 PolarHBondContact O-N 2.97Å; N582-D605 WeakPolarHBondContact OD1-CB 3.35Å; N582-T607 WeakPolarHBondContact CB-OG1 3.3Å
583L85.6Confident88.1Confident0 Ų037.3 Ų37.30%019%0.186CC..  trans-70.7127.1-174.5-58.7173.2000112.5L555 I563 L579 S581 P587 V602 N604 L609L555-L583 HydrophobicContact CB-CD2 4.03Å; L555-L583 HydrophobicContact CD1-CD2 4.01Å; I563-L583 HydrophobicContact CD1-CD2 4.48Å; I563-L583 HydrophobicContact CG2-CD2 4.17Å; L579-L583 HydrophobicContact CB-CD1 4.49Å; L579-L583 HydrophobicContact CD1-CD1 4.3Å; S581-L583 VanDerWaalsContact C-N 3.35Å; S581-L583 PolarHBondContact O-N 3.24Å; L583-P587 HydrophobicContact CD2-CG 4.45Å; L583-V602 HydrophobicContact CD1-CG1 3.98Å; L583-N604 WeakPolarHBondContact CA-OD1 3.28Å; L583-N604 VanDerWaalsContact CB-OD1 3.28Å; L583-N604 WeakPolarHBondContact CB-OD1 3.1Å; L583-N604 PolarHBondContact N-OD1 3.14Å; L583-N604 PolarHBondContact O-ND2 3.47Å; L583-N604 PolarHBondContact O-OD1 2.85Å; L583-L609 HydrophobicContact CB-CD1 3.97Å; L583-L609 WeakPolarHBondContact O-CD1 3.42Å
584T84.9Confident87.8Confident63 Ų6333.2 Ų33.239%0.38717%0.17SC..SBendtrans-86.2-29.1170.555.90000112.7N582 T607 L610N582-T584 PolarHBondContact O-N 2.97Å; T584-T607 HydrophobicContact CG2-CG2 4.2Å; T584-L610 PolarHBondContact O-N 3.4Å
585K84.8Confident87.4Confident121 Ų12137 Ų3753%0.52620%0.195SC..BIsolated β-bridgetrans-139.8155.2179.2-64.9179.2-175.8173.10109.5I563 P587 L610I563-K585 WeakPolarHBondContact CD1-O 3.44Å; K585-P587 WeakPolarHBondContact O-CD 3.09Å; K585-L610 WeakPolarHBondContact CA-O 3.35Å
586M83.7Confident87.1Confident12 Ų1236.1 Ų36.16%0.05919%0.192CC..  trans-71.6124.7172.8-82.3-68.7-176.200111.3T588 V602 L609 L612 L615 L626M586-T588 PolarHBondContact O-N 3.15Å; M586-V602 HydrophobicContact CE-CB 4.15Å; M586-V602 HydrophobicContact CE-CG1 4.23Å; M586-V602 HydrophobicContact CE-CG2 3.59Å; M586-V602 HydrophobicContact SD-CG2 4.37Å; M586-L609 HydrophobicContact CE-CD2 3.61Å; M586-L609 HydrophobicContact CG-CD2 4.4Å; M586-L612 HydrophobicContact CE-CD2 3.79Å; M586-L612 HydrophobicContact CG-CD2 3.46Å; M586-L612 VanDerWaalsContact CG-CD2 3.46Å; M586-L612 HydrophobicContact SD-CD2 4.49Å; M586-L615 HydrophobicContact CE-CD2 4.49Å; M586-L626 HydrophobicContact CE-CD2 3.73Å
587P82.8Confident86.9Confident5 Ų535.5 Ų35.53%0.03219%0.188CC..  trans-57.5130.1176.7-2127.6000112.4I563 L565 L583 K585 N589 I590I563-P587 HydrophobicContact CB-CB 4.41Å; I563-P587 HydrophobicContact CB-CG 4.27Å; I563-P587 HydrophobicContact CD1-CB 4.12Å; I563-P587 HydrophobicContact CD1-CG 3.67Å; I563-P587 HydrophobicContact CG2-CB 4.44Å; I563-P587 HydrophobicContact CG2-CG 3.9Å; L565-P587 HydrophobicContact CD1-CB 4Å; L565-P587 HydrophobicContact CD1-CG 3.97Å; L583-P587 HydrophobicContact CD2-CG 4.45Å; K585-P587 WeakPolarHBondContact O-CD 3.09Å; P587-N589 PolarHBondContact O-N 3.15Å; P587-I590 HydrophobicContact CB-CD1 3.79Å; P587-I590 HydrophobicContact CB-CG1 4.06Å; P587-I590 HydrophobicContact CG-CD1 3.61Å; P587-I590 HydrophobicContact CG-CG1 4.37Å; P587-I590 PolarHBondContact O-N 3.4Å
588T80.9Confident86.9Confident75 Ų7538.4 Ų38.446%0.4620%0.203SC..G310 helixtrans-64.8-29.4177.145.10000112.2M586 I590 T591M586-T588 PolarHBondContact O-N 3.15Å; T588-I590 PolarHBondContact O-N 3.33Å; T588-T591 WeakPolarHBondContact O-CB 3.4Å; T588-T591 PolarHBondContact O-N 3.05Å; T588-T591 PolarHBondContact O-OG1 3.06Å
589N82.8Confident86.9Confident28 Ų2842 Ų4215%0.1522%0.216CC..G310 helixtrans-61.8-30.1-179.7-57.246.7000112.2L565 E566 M568 P587 T591 E592L565-N589 PolarHBondContact O-ND2 3.34Å; E566-N589 PolarHBondContact O-ND2 3.2Å; M568-N589 HydrophobicContact CE-CB 4.08Å; P587-N589 PolarHBondContact O-N 3.15Å; N589-T591 PolarHBondContact O-N 2.98Å; N589-E592 WeakPolarHBondContact O-CB 3.41Å; N589-E592 WeakPolarHBondContact O-CG 3.28Å; N589-E592 PolarHBondContact O-N 3.13Å; N589-E592 VanDerWaalsContact O-N 3.15Å
590I85.9Confident87Confident4 Ų442 Ų422%0.02122%0.216CC..G310 helixtrans-65.1-27.1175.4-58.8161.3000111L565 M568 L577 L579 P587 T588 E592 L593 M618L565-I590 HydrophobicContact CD1-CG1 4.49Å; M568-I590 HydrophobicContact CE-CB 4.26Å; M568-I590 HydrophobicContact CE-CG1 3.62Å; L577-I590 HydrophobicContact CD2-CD1 4.42Å; L577-I590 HydrophobicContact CD2-CG1 4.02Å; L577-I590 HydrophobicContact CD2-CG2 3.9Å; L579-I590 HydrophobicContact CD1-CD1 3.42Å; L579-I590 VanDerWaalsContact CD1-CD1 3.42Å; L579-I590 HydrophobicContact CD1-CG1 4.41Å; P587-I590 HydrophobicContact CB-CD1 3.79Å; P587-I590 HydrophobicContact CB-CG1 4.06Å; P587-I590 HydrophobicContact CG-CD1 3.61Å; P587-I590 HydrophobicContact CG-CG1 4.37Å; P587-I590 PolarHBondContact O-N 3.4Å; T588-I590 PolarHBondContact O-N 3.33Å; I590-E592 PolarHBondContact O-N 2.7Å; I590-L593 WeakPolarHBondContact O-CB 3.36Å; I590-L593 PolarHBondContact O-N 3.44Å; I590-M618 HydrophobicContact CG2-CE 3.83Å; I590-M618 HydrophobicContact CG2-SD 4.19Å
591T83.3Confident87.1Confident22 Ų2240.4 Ų40.414%0.13521%0.21CC..G310 helixtrans-67.8-19.9178.270.10000112.9T588 N589 L593 S594 K617T588-T591 WeakPolarHBondContact O-CB 3.4Å; T588-T591 PolarHBondContact O-N 3.05Å; T588-T591 PolarHBondContact O-OG1 3.06Å; N589-T591 PolarHBondContact O-N 2.98Å; T591-L593 PolarHBondContact O-N 2.98Å; T591-S594 WeakPolarHBondContact O-CB 3.39Å; T591-S594 PolarHBondContact O-N 3.34Å; T591-S594 PolarHBondContact O-OG 3.48Å; T591-K617 HydrophobicContact CG2-CD 4.31Å
592E83.9Confident87.4Confident65 Ų6540.2 Ų40.230%0.30421%0.209SC..G310 helixtrans-65.5-26.4172.1-57.2-173.3140.400111.9S567 M568 R569 N589 I590 S594S567-E592 PolarHBondContact OG-OE2 3.34Å; M568-E592 PolarHBondContact N-OE2 3.23Å; R569-E592 IonicContact CZ-OE1 2.63Å; R569-E592 IonicContact NE-OE1 3.33Å; R569-E592 IonicContact NH2-OE1 2.86Å; R569-E592 PolarHBondContact NH2-OE1 2.93Å; N589-E592 WeakPolarHBondContact O-CB 3.41Å; N589-E592 WeakPolarHBondContact O-CG 3.28Å; N589-E592 PolarHBondContact O-N 3.13Å; N589-E592 VanDerWaalsContact O-N 3.15Å; I590-E592 PolarHBondContact O-N 2.7Å; E592-S594 VanDerWaalsContact C-N 3.29Å; E592-S594 PolarHBondContact O-N 3.3Å
593L84.7Confident87.7Confident4 Ų439.7 Ų39.72%0.02121%0.205CC..G310 helixtrans-85.1-0.4178.3-60.4167.8000113.4M568 L571 L574 L577 I590 T591 P595 H596 L597M568-L593 HydrophobicContact CB-CD1 3.93Å; M568-L593 HydrophobicContact CB-CD2 3.98Å; M568-L593 HydrophobicContact CB-CG 3.97Å; M568-L593 HydrophobicContact CE-CD1 3.87Å; M568-L593 VanDerWaalsContact O-CD2 3.29Å; M568-L593 WeakPolarHBondContact O-CD2 3.46Å; M568-L593 HydrophobicContact SD-CD1 3.79Å; L571-L593 HydrophobicContact CB-CD2 4.03Å; L574-L593 HydrophobicContact CD2-CD1 3.82Å; L574-L593 HydrophobicContact CD2-CD2 4.32Å; L577-L593 HydrophobicContact CD2-CD1 4.24Å; I590-L593 WeakPolarHBondContact O-CB 3.36Å; I590-L593 PolarHBondContact O-N 3.44Å; T591-L593 PolarHBondContact O-N 2.98Å; L593-P595 VanDerWaalsContact C-N 3.34Å; L593-P595 WeakPolarHBondContact O-CD 3.37Å; L593-P595 VanDerWaalsContact O-N 3.16Å; L593-H596 PolarHBondContact O-N 3.06Å; L593-H596 VanDerWaalsContact O-N 3.11Å; L593-L597 HydrophobicContact CB-CB 4.44Å; L593-L597 WeakPolarHBondContact O-CB 3.46Å; L593-L597 PolarHBondContact O-N 3.31Å; L593-L597 VanDerWaalsContact O-N 3.08Å
594S82.5Confident87.9Confident28 Ų2839.7 Ų39.720%0.19621%0.205CC..THydrogen-bonded Turntrans-51.8-32.4-17655.30000117.1T591 E592 H596 K617 S620T591-S594 WeakPolarHBondContact O-CB 3.39Å; T591-S594 PolarHBondContact O-N 3.34Å; T591-S594 PolarHBondContact O-OG 3.48Å; E592-S594 VanDerWaalsContact C-N 3.29Å; E592-S594 PolarHBondContact O-N 3.3Å; S594-H596 VanDerWaalsContact C-N 3.34Å; S594-K617 VanDerWaalsContact CB-O 3.24Å; S594-K617 WeakPolarHBondContact CB-O 3.42Å; S594-S620 WeakPolarHBondContact O-CB 3.3Å; S594-S620 PolarHBondContact O-OG 3.26Å
595P84.8Confident87.9Confident79 Ų7940.1 Ų40.151%0.51321%0.205SC..THydrogen-bonded Turntrans-76.3-19.518027.6-33.9000114L593L593-P595 VanDerWaalsContact C-N 3.34Å; L593-P595 WeakPolarHBondContact O-CD 3.37Å; L593-P595 VanDerWaalsContact O-N 3.16Å
596H87.9Confident87.6Confident88 Ų8835.6 Ų35.641%0.40719%0.192SC..THydrogen-bonded Turntrans-116.7-24.2-169.3-56.6-50.5000113.8R572 L574 L593 S594 L598R572-H596 PolarHBondContact O-CD2 2.91Å; L574-H596 CarbonylContact O-C 3.33Å; L593-H596 PolarHBondContact O-N 3.06Å; L593-H596 VanDerWaalsContact O-N 3.11Å; S594-H596 VanDerWaalsContact C-N 3.34Å; H596-L598 PolarHBondContact O-N 3.45Å
597L92.3Very high87.6Confident0 Ų036.7 Ų36.70%020%0.2CC..  trans-74.6118.5-173.7-160.377.2000112.2L574 L577 L593 L600 M618 S620 L621L574-L597 HydrophobicContact CD2-CD1 4.16Å; L574-L597 HydrophobicContact CG-CD1 4.22Å; L577-L597 HydrophobicContact CB-CD1 3.71Å; L577-L597 HydrophobicContact CB-CD2 4.12Å; L593-L597 HydrophobicContact CB-CB 4.44Å; L593-L597 WeakPolarHBondContact O-CB 3.46Å; L593-L597 PolarHBondContact O-N 3.31Å; L593-L597 VanDerWaalsContact O-N 3.08Å; L597-L600 HydrophobicContact CD2-CB 4.01Å; L597-L600 HydrophobicContact CD2-CD1 4.2Å; L597-M618 HydrophobicContact CD2-CE 3.33Å; L597-M618 HydrophobicContact CG-CE 4.5Å; L597-S620 PolarHBondContact O-OG 3.16Å; L597-L621 HydrophobicContact CD2-CD2 4.24Å; L597-L621 HydrophobicContact CG-CD2 4.4Å
598L95.1Very high87.8Confident61 Ų6140.7 Ų40.732%0.31922%0.217SC..  trans-96.7-35.9-179.6-58.1-178.6000112.4K575 H596 I622 E623K575-L598 HydrophobicContact CB-CD1 4.4Å; K575-L598 HydrophobicContact CB-CG 4.48Å; K575-L598 HydrophobicContact CD-CD1 4.16Å; K575-L598 HydrophobicContact CG-CD1 4.23Å; K575-L598 PolarHBondContact O-N 3.33Å; H596-L598 PolarHBondContact O-N 3.45Å; L598-I622 HydrophobicContact CB-CD1 4.38Å; L598-I622 HydrophobicContact CD1-CD1 4.41Å; L598-I622 HydrophobicContact CD2-CD1 3.92Å; L598-I622 HydrophobicContact CD2-CG1 4.25Å; L598-I622 HydrophobicContact CG-CD1 4.47Å; L598-I622 PolarHBondContact O-N 2.84Å; L598-E623 PolarHBondContact O-N 3.29Å
599R96.4Very high88.1Confident84 Ų8437.5 Ų37.532%0.31720%0.196SC..EExtended strand (participates in β ladder)trans-125.7124-178.7-178.2-178.8-66.4174.4-2110.3K575 T576 L577 E623K575-R599 PolarHBondContact O-N 2.75Å; T576-R599 WeakPolarHBondContact CA-O 3.47Å; T576-R599 HydrophobicContact CG2-CB 4.15Å; T576-R599 HydrophobicContact CG2-CG 4.12Å; L577-R599 PolarHBondContact N-O 3.44Å; R599-E623 WeakPolarHBondContact CA-O 3.48Å; R599-E623 HydrophobicContact CB-CB 4.26Å; R599-E623 HydrophobicContact CG-CB 4.03Å; R599-E623 IonicContact CZ-OE1 2.73Å; R599-E623 IonicContact CZ-OE2 3.5Å; R599-E623 IonicContact NE-OE1 3.47Å; R599-E623 IonicContact NE-OE2 2.88Å; R599-E623 PolarHBondContact NE-OE2 3.32Å; R599-E623 IonicContact NH2-OE1 2.96Å; R599-E623 PolarHBondContact NH2-OE1 2.95Å; R599-E623 IonicContact NH2-OE2 3.67Å; R599-E623 PolarHBondContact NH2-OE2 3.49Å
600L95.3Very high87.8Confident0 Ų040.4 Ų40.40%021%0.211CC..EExtended strand (participates in β ladder)trans-119.6120.4171.217765.3000109.4L577 L597 V602 L615 M618 L621 E623 L624 E625L577-L600 HydrophobicContact CB-CD1 4.24Å; L577-L600 HydrophobicContact CD2-CD1 4.1Å; L577-L600 HydrophobicContact CG-CD1 4.25Å; L597-L600 HydrophobicContact CD2-CB 4.01Å; L597-L600 HydrophobicContact CD2-CD1 4.2Å; L600-V602 HydrophobicContact CD1-CG2 4.1Å; L600-V602 HydrophobicContact CD2-CG2 4.46Å; L600-V602 HydrophobicContact CG-CG2 4.12Å; L600-L615 HydrophobicContact CD2-CD2 3.85Å; L600-M618 HydrophobicContact CB-CE 4.44Å; L600-M618 HydrophobicContact CD2-CE 3.8Å; L600-M618 HydrophobicContact CD2-SD 3.98Å; L600-L621 HydrophobicContact CB-CD1 4.46Å; L600-L621 HydrophobicContact CB-CD2 3.8Å; L600-E623 PolarHBondContact N-O 3.39Å; L600-L624 HydrophobicContact CB-CD1 4.1Å; L600-L624 HydrophobicContact CD2-CD1 3.96Å; L600-L624 HydrophobicContact CG-CD1 4.19Å; L600-E625 PolarHBondContact O-N 3.2Å
601M95.6Very high87.2Confident46 Ų4644.4 Ų44.423%0.22724%0.236CC..EExtended strand (participates in β ladder)trans-116.1124.5174.6-176.8-170.6-71.100109.7L577 C578 L579 E625L577-M601 PolarHBondContact O-N 2.9Å; C578-M601 CarbonylContact C-O 3.14Å; C578-M601 WeakPolarHBondContact CA-O 3.31Å; C578-M601 HydrophobicContact CB-CB 4.31Å; C578-M601 HydrophobicContact CB-SD 4.45Å; L579-M601 PolarHBondContact N-O 3.39Å; M601-E625 CarbonylContact C-O 3.3Å; M601-E625 WeakPolarHBondContact CA-O 3.18Å; M601-E625 HydrophobicContact CB-CB 4.15Å; M601-E625 VanDerWaalsContact CE-CD 3.48Å; M601-E625 VanDerWaalsContact CE-OE1 3.29Å; M601-E625 WeakPolarHBondContact CE-OE1 3.41Å; M601-E625 VanDerWaalsContact CE-OE2 3.25Å; M601-E625 WeakPolarHBondContact CE-OE2 3.46Å; M601-E625 HydrophobicContact CG-CB 3.96Å
602V93.6Very high87.1Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-125.5118.3175.1-177.20000109L579 L583 M586 L600 E625 L626 H627L579-V602 HydrophobicContact CB-CG2 4.42Å; L579-V602 HydrophobicContact CD1-CG2 4.45Å; L579-V602 CarbonylContact O-C 3.54Å; L579-V602 WeakPolarHBondContact O-CA 3.31Å; L583-V602 HydrophobicContact CD1-CG1 3.98Å; M586-V602 HydrophobicContact CE-CB 4.15Å; M586-V602 HydrophobicContact CE-CG1 4.23Å; M586-V602 HydrophobicContact CE-CG2 3.59Å; M586-V602 HydrophobicContact SD-CG2 4.37Å; L600-V602 HydrophobicContact CD1-CG2 4.1Å; L600-V602 HydrophobicContact CD2-CG2 4.46Å; L600-V602 HydrophobicContact CG-CG2 4.12Å; V602-E625 PolarHBondContact N-O 2.9Å; V602-L626 HydrophobicContact CB-CD2 3.91Å; V602-L626 HydrophobicContact CG2-CD2 4.2Å; V602-L626 WeakPolarHBondContact O-CA 3.45Å; V602-H627 PolarHBondContact O-N 3.11Å
603H94Very high87.1Confident48 Ų4845.8 Ų45.822%0.22225%0.245CC..EExtended strand (participates in β ladder)trans-111.9112.1174.3-171.785.7000108.9L579 K580 S581 D605 H627L579-H603 PolarHBondContact O-N 3.48Å; K580-H603 WeakPolarHBondContact CA-O 3.5Å; K580-H603 HydrophobicContact CB-CB 4.27Å; K580-H603 HydrophobicContact CG-CB 4.17Å; S581-H603 PolarHBondContact N-O 2.93Å; S581-H603 VanDerWaalsContact N-O 3.11Å; H603-D605 IonicContact CD2-OD1 3.45Å; H603-D605 PolarHBondContact CD2-OD1 3.17Å; H603-D605 IonicContact NE2-OD1 3.55Å; H603-D605 PolarHBondContact NE2-OD1 3.49Å; H603-H627 WeakPolarHBondContact CA-O 3.45Å
604N89.7Confident87Confident0 Ų046.8 Ų46.80%025%0.252CS..  trans-103.513.1-165-143.638.7000116S581 L583 G606 T607 H627 N628 C629S581-N604 VanDerWaalsContact O-CA 3.27Å; S581-N604 WeakPolarHBondContact O-CA 3.49Å; S581-N604 PolarHBondContact O-OD1 2.99Å; L583-N604 WeakPolarHBondContact CA-OD1 3.28Å; L583-N604 VanDerWaalsContact CB-OD1 3.28Å; L583-N604 WeakPolarHBondContact CB-OD1 3.1Å; L583-N604 PolarHBondContact N-OD1 3.14Å; L583-N604 PolarHBondContact O-ND2 3.47Å; L583-N604 PolarHBondContact O-OD1 2.85Å; N604-G606 PolarHBondContact O-N 3.22Å; N604-T607 PolarHBondContact ND2-O 3.34Å; N604-T607 PolarHBondContact O-N 3.03Å; N604-H627 PolarHBondContact N-O 2.99Å; N604-N628 CarbonylContact C-O 3.6Å; N604-N628 WeakPolarHBondContact CB-O 3.23Å; N604-C629 HydrophobicContact CB-CB 4.24Å
605D85.3Confident87.2Confident73 Ų7345.5 Ų45.539%0.3924%0.243SC..THydrogen-bonded Turntrans43.328.9174.9-73.6-34.2000115.1K580 N582 H603 N628K580-D605 WeakPolarHBondContact CE-OD1 3.45Å; K580-D605 WeakPolarHBondContact CE-OD2 3.49Å; K580-D605 IonicContact NZ-OD1 2.7Å; N582-D605 WeakPolarHBondContact OD1-CB 3.35Å; H603-D605 IonicContact CD2-OD1 3.45Å; H603-D605 PolarHBondContact CD2-OD1 3.17Å; H603-D605 IonicContact NE2-OD1 3.55Å; H603-D605 PolarHBondContact NE2-OD1 3.49Å; D605-N628 WeakPolarHBondContact CA-ND2 3.46Å
606G78.3Confident87.3Confident25 Ų2546.6 Ų46.626%0.25824%0.24SC..THydrogen-bonded Turntrans90.512.8178.400000115.3N604 N628 E630N604-G606 PolarHBondContact O-N 3.22Å; G606-N628 PolarHBondContact N-ND2 3.39Å; G606-N628 VanDerWaalsContact N-ND2 3.15Å; G606-N628 PolarHBondContact N-O 2.95Å; G606-N628 VanDerWaalsContact N-O 3.09Å; G606-E630 WeakPolarHBondContact O-CG 3.47Å; G606-E630 VanDerWaalsContact O-OE1 3.07Å
607T85.3Confident87.3Confident36 Ų3648.9 Ų48.922%0.22125%0.248CC..  trans-86.3138.3171.9-53.80000110.5N582 T584 N604 L609 C629N582-T607 WeakPolarHBondContact CB-OG1 3.3Å; T584-T607 HydrophobicContact CG2-CG2 4.2Å; N604-T607 PolarHBondContact ND2-O 3.34Å; N604-T607 PolarHBondContact O-N 3.03Å; T607-L609 PolarHBondContact O-N 3.35Å; T607-C629 CarbonylContact O-C 3.57Å
608K86.7Confident87.1Confident89 Ų8949.1 Ų49.139%0.38725%0.249SC..  trans-70114175.4-167.5165.3-179.11640111.8L610 E630 E632K608-L610 HydrophobicContact CD-CD2 4.16Å; K608-L610 HydrophobicContact CG-CD2 4.01Å; K608-L610 HydrophobicContact CG-CG 4.45Å; K608-L610 PolarHBondContact O-N 3.38Å; K608-E630 HydrophobicContact CB-CB 4.3Å; K608-E630 WeakPolarHBondContact CB-OE2 3.46Å; K608-E630 HydrophobicContact CG-CB 4.45Å; K608-E630 PolarHBondContact N-OE2 2.94Å; K608-E632 IonicContact NZ-OE1 3.55Å; K608-E632 PolarHBondContact NZ-OE1 2.9Å
609L85.7Confident86.7Confident7 Ų749.6 Ų49.64%0.03726%0.255CS..  trans-83.5108.9177.2-169.864.5000110.7L583 M586 T607 L612 C629L583-L609 HydrophobicContact CB-CD1 3.97Å; L583-L609 WeakPolarHBondContact O-CD1 3.42Å; M586-L609 HydrophobicContact CE-CD2 3.61Å; M586-L609 HydrophobicContact CG-CD2 4.4Å; T607-L609 PolarHBondContact O-N 3.35Å; L609-L612 HydrophobicContact CD2-CD1 4.46Å; L609-L612 HydrophobicContact CD2-CD2 3.54Å; L609-L612 HydrophobicContact CD2-CG 4.37Å; L609-L612 HydrophobicContact CG-CD2 4.06Å; L609-C629 HydrophobicContact CB-CB 4.12Å; L609-C629 HydrophobicContact CD2-CB 4.48Å; L609-C629 PolarHBondContact N-O 2.98Å
610L77.3Confident86.5Confident89 Ų8946.7 Ų46.747%0.46625%0.247SC..BIsolated β-bridgetrans-98.3143.8-179.5-59.7172.4000110.7T584 K585 K608T584-L610 PolarHBondContact O-N 3.4Å; K585-L610 WeakPolarHBondContact CA-O 3.35Å; K608-L610 HydrophobicContact CD-CD2 4.16Å; K608-L610 HydrophobicContact CG-CD2 4.01Å; K608-L610 HydrophobicContact CG-CG 4.45Å; K608-L610 PolarHBondContact O-N 3.38Å
611V73.5Confident86.4Confident89 Ų8946.7 Ų46.754%0.53925%0.247SC..  trans61.291.7172-170.90000113.8N613V611-N613 HydrophobicContact CG1-CB 4.39Å
612L82.1Confident86.5Confident14 Ų1446.6 Ų46.67%0.07325%0.247CC..  trans-100.518.9-179.4-73.3159.4000113.5M586 L609 S614 L615 L631 P635 A637M586-L612 HydrophobicContact CE-CD2 3.79Å; M586-L612 HydrophobicContact CG-CD2 3.46Å; M586-L612 VanDerWaalsContact CG-CD2 3.46Å; M586-L612 HydrophobicContact SD-CD2 4.49Å; L609-L612 HydrophobicContact CD2-CD1 4.46Å; L609-L612 HydrophobicContact CD2-CD2 3.54Å; L609-L612 HydrophobicContact CD2-CG 4.37Å; L609-L612 HydrophobicContact CG-CD2 4.06Å; L612-S614 PolarHBondContact O-N 3.35Å; L612-L615 HydrophobicContact CB-CD1 4.05Å; L612-L615 HydrophobicContact CB-CG 4.5Å; L612-L615 HydrophobicContact CD2-CD1 3.75Å; L612-L615 HydrophobicContact CD2-CG 4.24Å; L612-L615 HydrophobicContact CG-CD1 4.4Å; L612-L615 WeakPolarHBondContact O-CB 3.2Å; L612-L615 PolarHBondContact O-N 2.9Å; L612-L631 HydrophobicContact CD1-CD2 3.96Å; L612-P635 HydrophobicContact CB-CB 4.12Å; L612-P635 HydrophobicContact CD1-CB 3.67Å; L612-P635 HydrophobicContact CD1-CG 3.23Å; L612-P635 HydrophobicContact CG-CG 4.48Å; L612-A637 WeakPolarHBondContact O-CB 3.42Å
613N82.8Confident86.6Confident102 Ų10248.5 Ų48.555%0.54526%0.256SS..G310 helixtrans-61.3-27.2-177.3-72.2-20.1000113.1V611 L615 K616V611-N613 HydrophobicContact CG1-CB 4.39Å; N613-L615 PolarHBondContact O-N 3.46Å; N613-K616 WeakPolarHBondContact O-CB 3.2Å; N613-K616 WeakPolarHBondContact O-CG 3.38Å; N613-K616 PolarHBondContact O-N 2.97Å; N613-K616 VanDerWaalsContact O-N 3.15Å
614S83.5Confident86.7Confident24 Ų2446.2 Ų46.217%0.16825%0.246CC..G310 helixtrans-57.5-32.6175.2-55.60000112.7L612 K616 K617L612-S614 PolarHBondContact O-N 3.35Å; S614-K616 PolarHBondContact O-N 3.48Å; S614-K617 PolarHBondContact O-N 3.37Å
615L86.6Confident87Confident1 Ų147.1 Ų47.11%0.00525%0.25CS..G310 helixtrans-62.5-27.8179.1-64.5178.7000112.4M586 L600 L612 N613 K617 M618 L624 L626 A637 I638 L641M586-L615 HydrophobicContact CE-CD2 4.49Å; L600-L615 HydrophobicContact CD2-CD2 3.85Å; L612-L615 HydrophobicContact CB-CD1 4.05Å; L612-L615 HydrophobicContact CB-CG 4.5Å; L612-L615 HydrophobicContact CD2-CD1 3.75Å; L612-L615 HydrophobicContact CD2-CG 4.24Å; L612-L615 HydrophobicContact CG-CD1 4.4Å; L612-L615 WeakPolarHBondContact O-CB 3.2Å; L612-L615 PolarHBondContact O-N 2.9Å; N613-L615 PolarHBondContact O-N 3.46Å; L615-K617 PolarHBondContact O-N 3.18Å; L615-M618 HydrophobicContact CD2-SD 3.88Å; L615-M618 PolarHBondContact O-N 2.79Å; L615-L624 HydrophobicContact CD1-CD2 4.29Å; L615-L626 HydrophobicContact CD1-CD1 4.49Å; L615-A637 HydrophobicContact CB-CB 4.2Å; L615-I638 HydrophobicContact CD1-CG1 4.33Å; L615-L641 WeakPolarHBondContact O-CD2 3.24Å
616K87.2Confident87.4Confident103 Ų10343.7 Ų43.745%0.44823%0.231SC..G310 helixtrans-57.4-26.9179.1-65.3-174178.1-178.50113N613 S614 A637N613-K616 WeakPolarHBondContact O-CB 3.2Å; N613-K616 WeakPolarHBondContact O-CG 3.38Å; N613-K616 PolarHBondContact O-N 2.97Å; N613-K616 VanDerWaalsContact O-N 3.15Å; S614-K616 PolarHBondContact O-N 3.48Å; K616-A637 HydrophobicContact CG-CB 3.67Å
617K87.2Confident88.1Confident136 Ų13643 Ų4359%0.59122%0.221SC*.G310 helixtrans-79.9-16.8179.6-64.3-174.5177.5-177.30113.2T591 S594 S614 L615 T619T591-K617 HydrophobicContact CG2-CD 4.31Å; S594-K617 VanDerWaalsContact CB-O 3.24Å; S594-K617 WeakPolarHBondContact CB-O 3.42Å; S614-K617 PolarHBondContact O-N 3.37Å; L615-K617 PolarHBondContact O-N 3.18Å; K617-T619 VanDerWaalsContact C-N 3.29Å; K617-T619 PolarHBondContact O-N 3.33Å; K617-T619 VanDerWaalsContact O-N 3.09Å
618M88.5Confident88.4Confident4 Ų443.9 Ų43.92%0.0223%0.225CC..  trans-89.852.3-169.8-57.3-177.367.900112.6I590 L597 L600 L615 S620 L621 L641I590-M618 HydrophobicContact CG2-CE 3.83Å; I590-M618 HydrophobicContact CG2-SD 4.19Å; L597-M618 HydrophobicContact CD2-CE 3.33Å; L597-M618 HydrophobicContact CG-CE 4.5Å; L600-M618 HydrophobicContact CB-CE 4.44Å; L600-M618 HydrophobicContact CD2-CE 3.8Å; L600-M618 HydrophobicContact CD2-SD 3.98Å; L615-M618 HydrophobicContact CD2-SD 3.88Å; L615-M618 PolarHBondContact O-N 2.79Å; M618-S620 PolarHBondContact O-N 3.2Å; M618-S620 VanDerWaalsContact O-N 3.1Å; M618-L621 HydrophobicContact CB-CD1 3.58Å; M618-L621 HydrophobicContact CB-CG 3.92Å; M618-L621 HydrophobicContact CE-CD1 3.97Å; M618-L621 HydrophobicContact CE-CD2 4.22Å; M618-L621 HydrophobicContact CE-CG 4.24Å; M618-L621 WeakPolarHBondContact O-CB 2.83Å; M618-L621 WeakPolarHBondContact O-CG 3.28Å; M618-L621 PolarHBondContact O-N 3.11Å; M618-L621 HydrophobicContact SD-CD1 4.26Å; M618-L641 HydrophobicContact CB-CD2 4.35Å; M618-L641 WeakPolarHBondContact O-CD2 3.47Å
619T87.3Confident88.7Confident71 Ų7139.6 Ų39.644%0.43621%0.206SC..THydrogen-bonded Turntrans-66.6-14.1-169.155.70000115.2K617 N643K617-T619 VanDerWaalsContact C-N 3.29Å; K617-T619 PolarHBondContact O-N 3.33Å; K617-T619 VanDerWaalsContact O-N 3.09Å; T619-N643 PolarHBondContact O-ND2 2.85Å
620S91Very high89Confident23 Ų2342.7 Ų42.716%0.16122%0.221CC..THydrogen-bonded Turntrans-82.6-9.7177.365.60000114S594 L597 M618 I622S594-S620 WeakPolarHBondContact O-CB 3.3Å; S594-S620 PolarHBondContact O-OG 3.26Å; L597-S620 PolarHBondContact O-OG 3.16Å; M618-S620 PolarHBondContact O-N 3.2Å; M618-S620 VanDerWaalsContact O-N 3.1Å; S620-I622 PolarHBondContact O-N 3.27Å
621L94.1Very high89.7Confident0 Ų039.1 Ų39.10%020%0.202CC..  trans-59.3130.7-178.1-76.5174000112.2L597 L600 M618 L624 L641 N643 L644L597-L621 HydrophobicContact CD2-CD2 4.24Å; L597-L621 HydrophobicContact CG-CD2 4.4Å; L600-L621 HydrophobicContact CB-CD1 4.46Å; L600-L621 HydrophobicContact CB-CD2 3.8Å; M618-L621 HydrophobicContact CB-CD1 3.58Å; M618-L621 HydrophobicContact CB-CG 3.92Å; M618-L621 HydrophobicContact CE-CD1 3.97Å; M618-L621 HydrophobicContact CE-CD2 4.22Å; M618-L621 HydrophobicContact CE-CG 4.24Å; M618-L621 WeakPolarHBondContact O-CB 2.83Å; M618-L621 WeakPolarHBondContact O-CG 3.28Å; M618-L621 PolarHBondContact O-N 3.11Å; M618-L621 HydrophobicContact SD-CD1 4.26Å; L621-L624 HydrophobicContact CD1-CD1 4.45Å; L621-L641 HydrophobicContact CD1-CD1 3.98Å; L621-L641 HydrophobicContact CD1-CD2 4.29Å; L621-N643 CarbonylContact O-C 3.47Å; L621-L644 HydrophobicContact CB-CD1 4.48Å; L621-L644 PolarHBondContact O-N 3.32Å
622I95.9Very high90.6Very high44 Ų4439.8 Ų39.823%0.22620%0.199CC..SBendtrans-102.4-37.7173.3-60.6179.4000109.5L598 S620 Q645 E646L598-I622 HydrophobicContact CB-CD1 4.38Å; L598-I622 HydrophobicContact CD1-CD1 4.41Å; L598-I622 HydrophobicContact CD2-CD1 3.92Å; L598-I622 HydrophobicContact CD2-CG1 4.25Å; L598-I622 HydrophobicContact CG-CD1 4.47Å; L598-I622 PolarHBondContact O-N 2.84Å; S620-I622 PolarHBondContact O-N 3.27Å; I622-Q645 HydrophobicContact CG2-CB 3.82Å; I622-Q645 HydrophobicContact CG2-CG 3.79Å; I622-Q645 PolarHBondContact O-N 3.39Å; I622-E646 PolarHBondContact O-N 3.12Å
623E96.9Very high91Very high41 Ų4147 Ų4719%0.19223%0.225CC..EExtended strand (participates in β ladder)trans-130.3127-176.6-55.8-176.5-15200110.4L598 R599 L600 E646L598-E623 PolarHBondContact O-N 3.29Å; R599-E623 WeakPolarHBondContact CA-O 3.48Å; R599-E623 HydrophobicContact CB-CB 4.26Å; R599-E623 HydrophobicContact CG-CB 4.03Å; R599-E623 IonicContact CZ-OE1 2.73Å; R599-E623 IonicContact CZ-OE2 3.5Å; R599-E623 IonicContact NE-OE1 3.47Å; R599-E623 IonicContact NE-OE2 2.88Å; R599-E623 PolarHBondContact NE-OE2 3.32Å; R599-E623 IonicContact NH2-OE1 2.96Å; R599-E623 PolarHBondContact NH2-OE1 2.95Å; R599-E623 IonicContact NH2-OE2 3.67Å; R599-E623 PolarHBondContact NH2-OE2 3.49Å; L600-E623 PolarHBondContact N-O 3.39Å; E623-E646 WeakPolarHBondContact CA-O 3.41Å; E623-E646 HydrophobicContact CB-CB 4.4Å; E623-E646 HydrophobicContact CG-CB 4.06Å
624L95.9Very high91.3Very high0 Ų042.3 Ų42.30%020%0.2CC..EExtended strand (participates in β ladder)trans-127.6122.2177.5178.563.8000109.9L600 L615 L621 L626 I638 L641 L644 E646 L647 D648L600-L624 HydrophobicContact CB-CD1 4.1Å; L600-L624 HydrophobicContact CD2-CD1 3.96Å; L600-L624 HydrophobicContact CG-CD1 4.19Å; L615-L624 HydrophobicContact CD1-CD2 4.29Å; L621-L624 HydrophobicContact CD1-CD1 4.45Å; L624-L626 HydrophobicContact CD1-CD2 4.08Å; L624-L626 HydrophobicContact CD1-CG 4.24Å; L624-L626 HydrophobicContact CD2-CD1 4.43Å; L624-L626 HydrophobicContact CG-CG 4.24Å; L624-I638 HydrophobicContact CD2-CD1 4.11Å; L624-I638 HydrophobicContact CD2-CG1 3.97Å; L624-I638 HydrophobicContact CD2-CG2 4.3Å; L624-L641 HydrophobicContact CD2-CD1 3.88Å; L624-L644 HydrophobicContact CB-CD1 3.73Å; L624-E646 PolarHBondContact N-O 3.38Å; L624-L647 HydrophobicContact CB-CD1 4.18Å; L624-L647 HydrophobicContact CD2-CD1 4.04Å; L624-L647 HydrophobicContact CG-CD1 4.21Å; L624-D648 PolarHBondContact O-N 2.82Å
625E95.9Very high91.6Very high19 Ų1942.1 Ų42.19%0.08920%0.199CC..EExtended strand (participates in β ladder)trans-121.8117.5179.5-59.4-171.2-13500109.7L600 M601 V602 H627 D648L600-E625 PolarHBondContact O-N 3.2Å; M601-E625 CarbonylContact C-O 3.3Å; M601-E625 WeakPolarHBondContact CA-O 3.18Å; M601-E625 HydrophobicContact CB-CB 4.15Å; M601-E625 VanDerWaalsContact CE-CD 3.48Å; M601-E625 VanDerWaalsContact CE-OE1 3.29Å; M601-E625 WeakPolarHBondContact CE-OE1 3.41Å; M601-E625 VanDerWaalsContact CE-OE2 3.25Å; M601-E625 WeakPolarHBondContact CE-OE2 3.46Å; M601-E625 HydrophobicContact CG-CB 3.96Å; V602-E625 PolarHBondContact N-O 2.9Å; E625-H627 IonicContact OE2-CE1 3.53Å; E625-H627 PolarHBondContact OE2-CE1 2.87Å; E625-H627 IonicContact OE2-NE2 3.15Å; E625-H627 PolarHBondContact OE2-NE2 2.91Å; E625-H627 VanDerWaalsContact OE2-NE2 3.11Å; E625-D648 CarbonylContact C-O 3.52Å; E625-D648 WeakPolarHBondContact CA-O 3.39Å; E625-D648 HydrophobicContact CB-CB 4.32Å; E625-D648 HydrophobicContact CG-CB 3.98Å
626L94.1Very high91.7Very high0 Ų048.1 Ų48.10%023%0.226CC..EExtended strand (participates in β ladder)trans-123.292.6176-56.9177.7000108.9M586 V602 L615 L624 L631 I638 D648 L649 N652M586-L626 HydrophobicContact CE-CD2 3.73Å; V602-L626 HydrophobicContact CB-CD2 3.91Å; V602-L626 HydrophobicContact CG2-CD2 4.2Å; V602-L626 WeakPolarHBondContact O-CA 3.45Å; L615-L626 HydrophobicContact CD1-CD1 4.49Å; L624-L626 HydrophobicContact CD1-CD2 4.08Å; L624-L626 HydrophobicContact CD1-CG 4.24Å; L624-L626 HydrophobicContact CD2-CD1 4.43Å; L624-L626 HydrophobicContact CG-CG 4.24Å; L626-L631 HydrophobicContact CB-CD1 4.26Å; L626-L631 HydrophobicContact CD1-CD1 4.09Å; L626-I638 HydrophobicContact CD1-CD1 4.32Å; L626-D648 PolarHBondContact N-O 3.28Å; L626-L649 HydrophobicContact CB-CD2 3.73Å; L626-L649 HydrophobicContact CD1-CD2 3.84Å; L626-L649 HydrophobicContact CG-CD2 4.05Å; L626-N652 PolarHBondContact O-ND2 3.36Å
627H93.3Very high91.8Very high10 Ų1043.4 Ų43.45%0.04621%0.207CC..EExtended strand (participates in β ladder)trans-100.6136.4-175.2-54.8163.9000111.1V602 H603 N604 E625 C629 D648 K650V602-H627 PolarHBondContact O-N 3.11Å; H603-H627 WeakPolarHBondContact CA-O 3.45Å; N604-H627 PolarHBondContact N-O 2.99Å; E625-H627 IonicContact OE2-CE1 3.53Å; E625-H627 PolarHBondContact OE2-CE1 2.87Å; E625-H627 IonicContact OE2-NE2 3.15Å; E625-H627 PolarHBondContact OE2-NE2 2.91Å; E625-H627 VanDerWaalsContact OE2-NE2 3.11Å; H627-C629 PolarHBondContact O-N 3.08Å; H627-C629 PolarHBondContact O-SG 3.48Å; H627-C629 VanDerWaalsContact O-SG 3.39Å; H627-D648 IonicContact CD2-OD1 3.05Å; H627-D648 IonicContact CD2-OD2 2.66Å; H627-D648 IonicContact CE1-OD2 3.85Å; H627-D648 IonicContact NE2-OD1 2.7Å; H627-D648 IonicContact NE2-OD2 3.75Å; H627-D648 PolarHBondContact NE2-OD2 3.47Å; H627-K650 HydrophobicContact CB-CG 4.38Å; H627-K650 VanDerWaalsContact CD2-CG 3.46Å; H627-K650 WeakPolarHBondContact CD2-CG 3.3Å; H627-K650 WeakPolarHBondContact CE1-CE 3.44Å; H627-K650 PolarHBondContact CE1-NZ 2.94Å; H627-K650 VanDerWaalsContact CG-CE 3.48Å; H627-K650 VanDerWaalsContact ND1-CE 3.27Å; H627-K650 WeakPolarHBondContact ND1-CE 3.44Å; H627-K650 VanDerWaalsContact NE2-CE 3.34Å; H627-K650 WeakPolarHBondContact NE2-CE 3.41Å; H627-K650 PolarHBondContact NE2-NZ 3.4Å
628N92.1Very high91.9Very high55 Ų5537 Ų3729%0.29418%0.178SC..SBendtrans55.338.9171.9-155.225.4000113.7N604 D605 G606 K650 S651N604-N628 CarbonylContact C-O 3.6Å; N604-N628 WeakPolarHBondContact CB-O 3.23Å; D605-N628 WeakPolarHBondContact CA-ND2 3.46Å; G606-N628 PolarHBondContact N-ND2 3.39Å; G606-N628 VanDerWaalsContact N-ND2 3.15Å; G606-N628 PolarHBondContact N-O 2.95Å; G606-N628 VanDerWaalsContact N-O 3.09Å; N628-K650 PolarHBondContact N-O 2.91Å; N628-S651 VanDerWaalsContact CA-O 3.24Å; N628-S651 WeakPolarHBondContact CA-O 3.34Å; N628-S651 PolarHBondContact N-O 3.45Å
629C92.1Very high92Very high0 Ų037.6 Ų37.60%018%0.181CC..  trans-95.48.5-176.6-65.70000113.6N604 T607 L609 H627 L631 N652N604-C629 HydrophobicContact CB-CB 4.24Å; T607-C629 CarbonylContact O-C 3.57Å; L609-C629 HydrophobicContact CB-CB 4.12Å; L609-C629 HydrophobicContact CD2-CB 4.48Å; L609-C629 PolarHBondContact N-O 2.98Å; H627-C629 PolarHBondContact O-N 3.08Å; H627-C629 PolarHBondContact O-SG 3.48Å; H627-C629 VanDerWaalsContact O-SG 3.39Å; C629-L631 HydrophobicContact CB-CD1 4.09Å; C629-L631 HydrophobicContact CB-CD2 4.32Å; C629-L631 HydrophobicContact CB-CG 3.76Å; C629-L631 PolarHBondContact O-N 3.23Å; C629-L631 VanDerWaalsContact O-N 3.12Å; C629-N652 WeakPolarHBondContact CA-OD1 3.34Å; C629-N652 WeakPolarHBondContact CB-OD1 3.28Å; C629-N652 PolarHBondContact N-OD1 2.91Å
630E92.5Very high92.1Very high72 Ų7236.5 Ų36.534%0.33618%0.177SC..  trans48.731.8-171.9-50.7-163.3130.300114.7G606 K608 E632 N652G606-E630 WeakPolarHBondContact O-CG 3.47Å; G606-E630 VanDerWaalsContact O-OE1 3.07Å; K608-E630 HydrophobicContact CB-CB 4.3Å; K608-E630 WeakPolarHBondContact CB-OE2 3.46Å; K608-E630 HydrophobicContact CG-CB 4.45Å; K608-E630 PolarHBondContact N-OE2 2.94Å; E630-E632 PolarHBondContact O-N 3.48Å; E630-N652 PolarHBondContact N-OD1 3.29Å
631L91.4Very high92.1Very high13 Ų1335.4 Ų35.47%0.06817%0.169CC..  trans-68.2124.9-179.5-60.6173.3000110.2L612 L626 C629 P635 L649 N652 N653 I654L612-L631 HydrophobicContact CD1-CD2 3.96Å; L626-L631 HydrophobicContact CB-CD1 4.26Å; L626-L631 HydrophobicContact CD1-CD1 4.09Å; C629-L631 HydrophobicContact CB-CD1 4.09Å; C629-L631 HydrophobicContact CB-CD2 4.32Å; C629-L631 HydrophobicContact CB-CG 3.76Å; C629-L631 PolarHBondContact O-N 3.23Å; C629-L631 VanDerWaalsContact O-N 3.12Å; L631-P635 HydrophobicContact CD1-CG 4.32Å; L631-P635 HydrophobicContact CD2-CG 4.43Å; L631-L649 HydrophobicContact CD1-CD2 4.39Å; L631-N652 HydrophobicContact CB-CB 4.16Å; L631-N652 PolarHBondContact N-OD1 3.05Å; L631-N652 VanDerWaalsContact N-OD1 3.13Å; L631-N653 CarbonylContact O-C 3.32Å; L631-N653 VanDerWaalsContact O-CA 3.31Å; L631-N653 WeakPolarHBondContact O-CA 3.34Å; L631-N653 PolarHBondContact O-N 2.86Å; L631-I654 HydrophobicContact CB-CG1 4.46Å; L631-I654 WeakPolarHBondContact O-CG1 3.48Å; L631-I654 PolarHBondContact O-N 3.08Å; L631-I654 VanDerWaalsContact O-N 3.1Å
632E91.3Very high91.9Very high104 Ų10439.1 Ų39.149%0.48619%0.192SC..SBendtrans-86.2-22.5176.1-68.6173.1-144.600112.7K608 E630 I654 R655K608-E632 IonicContact NZ-OE1 3.55Å; K608-E632 PolarHBondContact NZ-OE1 2.9Å; E630-E632 PolarHBondContact O-N 3.48Å; E632-I654 WeakPolarHBondContact O-CA 3.44Å; E632-R655 PolarHBondContact O-N 3.27Å
633R90.6Very high91.7Very high165 Ų16539.4 Ų39.462%0.62319%0.194SC*.SBendtrans-145.9162.9-179.3-64.6-170.6-170.4176.80.7110.7P635 E659R633-P635 WeakPolarHBondContact O-CD 3.09Å; R633-E659 WeakPolarHBondContact CD-OE1 3.36Å
634I90.8Very high91.6Very high3 Ų337.4 Ų37.42%0.01518%0.184CC..  trans-75.2121.4176.1-57.1-176.9000109.4H636 I638 F639 L649 I654 I657 F663 L674I634-H636 PolarHBondContact O-N 3.09Å; I634-I638 HydrophobicContact CG2-CD1 4.27Å; I634-F639 HydrophobicContact CG2-CE1 4.24Å; I634-F639 HydrophobicContact CG2-CZ 3.83Å; I634-L649 HydrophobicContact CB-CD1 4.46Å; I634-L649 HydrophobicContact CD1-CD1 4.26Å; I634-L649 HydrophobicContact CG1-CD1 3.92Å; I634-L649 HydrophobicContact CG2-CD1 4.05Å; I634-I654 HydrophobicContact CG1-CD1 4.2Å; I634-I657 HydrophobicContact CD1-CB 4.44Å; I634-I657 HydrophobicContact CD1-CG2 3.89Å; I634-F663 HydrophobicContact CD1-CE2 4Å; I634-F663 HydrophobicContact CD1-CZ 3.83Å; I634-F663 HydrophobicContact CG2-CE2 4.38Å; I634-F663 HydrophobicContact CG2-CZ 4.43Å; I634-L674 HydrophobicContact CD1-CD2 4.32Å
635P89.4Confident91.6Very high21 Ų2141.3 Ų41.314%0.13620%0.202CC..  trans-64.7128.2-177.8-17.125.7000113.1L612 L631 R633 A637 I638L612-P635 HydrophobicContact CB-CB 4.12Å; L612-P635 HydrophobicContact CD1-CB 3.67Å; L612-P635 HydrophobicContact CD1-CG 3.23Å; L612-P635 HydrophobicContact CG-CG 4.48Å; L631-P635 HydrophobicContact CD1-CG 4.32Å; L631-P635 HydrophobicContact CD2-CG 4.43Å; R633-P635 WeakPolarHBondContact O-CD 3.09Å; P635-A637 PolarHBondContact O-N 2.58Å; P635-I638 HydrophobicContact CB-CD1 4.32Å; P635-I638 HydrophobicContact CB-CG1 4.33Å; P635-I638 HydrophobicContact CG-CD1 4.03Å; P635-I638 WeakPolarHBondContact O-CB 3.44Å; P635-I638 PolarHBondContact O-N 2.92Å
636H87.6Confident91.7Very high127 Ų12742.4 Ų42.459%0.58821%0.208SC*.G310 helixtrans-58-22.9179.1-66-66.5000114.9I634 I638 F639I634-H636 PolarHBondContact O-N 3.09Å; H636-I638 PolarHBondContact O-N 3.43Å; H636-F639 HydrophobicContact CB-CD2 4.25Å; H636-F639 HydrophobicContact CB-CE2 4.41Å; H636-F639 AromaticContact ND1-CE2 3.72Å; H636-F639 WeakPolarHBondContact O-CD2 3.4Å; H636-F639 PolarHBondContact O-N 3.48Å
637A89Confident91.8Very high4 Ų442.4 Ų42.43%0.03321%0.208CC..G310 helixtrans-62.7-27.3177.600000113.4L612 L615 K616 P635 F639 S640L612-A637 WeakPolarHBondContact O-CB 3.42Å; L615-A637 HydrophobicContact CB-CB 4.2Å; K616-A637 HydrophobicContact CG-CB 3.67Å; P635-A637 PolarHBondContact O-N 2.58Å; A637-F639 PolarHBondContact O-N 3.33Å; A637-S640 PolarHBondContact O-N 2.89Å
638I90.8Very high91.9Very high0 Ų042 Ų420%021%0.206CC..G310 helixtrans-65.2-30.5179.9-60.2177.5000110.7L615 L624 L626 I634 P635 H636 S640 L641 L644 L647 L649L615-I638 HydrophobicContact CD1-CG1 4.33Å; L624-I638 HydrophobicContact CD2-CD1 4.11Å; L624-I638 HydrophobicContact CD2-CG1 3.97Å; L624-I638 HydrophobicContact CD2-CG2 4.3Å; L626-I638 HydrophobicContact CD1-CD1 4.32Å; I634-I638 HydrophobicContact CG2-CD1 4.27Å; P635-I638 HydrophobicContact CB-CD1 4.32Å; P635-I638 HydrophobicContact CB-CG1 4.33Å; P635-I638 HydrophobicContact CG-CD1 4.03Å; P635-I638 WeakPolarHBondContact O-CB 3.44Å; P635-I638 PolarHBondContact O-N 2.92Å; H636-I638 PolarHBondContact O-N 3.43Å; I638-S640 PolarHBondContact O-N 3.26Å; I638-S640 VanDerWaalsContact O-N 3.15Å; I638-L641 HydrophobicContact CG2-CD1 4.37Å; I638-L641 VanDerWaalsContact O-CB 3.25Å; I638-L641 WeakPolarHBondContact O-CB 3.31Å; I638-L641 WeakPolarHBondContact O-CG 3.27Å; I638-L641 PolarHBondContact O-N 3.43Å; I638-L644 HydrophobicContact CG2-CD2 3.91Å; I638-L647 HydrophobicContact CD1-CD1 4.2Å; I638-L647 HydrophobicContact CG2-CD1 4.12Å; I638-L647 HydrophobicContact CG2-CD2 3.96Å; I638-L649 HydrophobicContact CD1-CD2 4.29Å
639F89.2Confident92.1Very high17 Ų1739.3 Ų39.38%0.07519%0.192CC..G310 helixtrans-69.9-11.2-178.8-51.1-48.3000114.1I634 H636 A637 L641 E659 S662 F663 L666I634-F639 HydrophobicContact CG2-CE1 4.24Å; I634-F639 HydrophobicContact CG2-CZ 3.83Å; H636-F639 HydrophobicContact CB-CD2 4.25Å; H636-F639 HydrophobicContact CB-CE2 4.41Å; H636-F639 AromaticContact ND1-CE2 3.72Å; H636-F639 WeakPolarHBondContact O-CD2 3.4Å; H636-F639 PolarHBondContact O-N 3.48Å; A637-F639 PolarHBondContact O-N 3.33Å; F639-L641 VanDerWaalsContact C-N 3.29Å; F639-E659 HydrophobicContact CE2-CB 3.91Å; F639-E659 HydrophobicContact CZ-CB 3.72Å; F639-S662 VanDerWaalsContact CD2-CB 3.4Å; F639-S662 VanDerWaalsContact CG-CB 3.5Å; F639-F663 HydrophobicContact CD1-CD2 4.12Å; F639-F663 HydrophobicContact CD1-CE2 4.42Å; F639-F663 AromaticContact CE1-CD2 3.33Å; F639-F663 HydrophobicContact CE1-CD2 3.33Å; F639-F663 AromaticContact CE1-CE2 3.31Å; F639-F663 HydrophobicContact CE1-CE2 3.31Å; F639-F663 HydrophobicContact CE1-CG 4.27Å; F639-F663 HydrophobicContact CE1-CZ 4.13Å; F639-F663 HydrophobicContact CZ-CD2 4.04Å; F639-F663 AromaticContact CZ-CE2 3.81Å; F639-F663 HydrophobicContact CZ-CE2 3.81Å; F639-L666 HydrophobicContact CD1-CD1 4.22Å
640S89.7Confident92.1Very high49 Ų4941.8 Ų41.834%0.34320%0.202SC..G310 helixtrans-79.9-11.1171.5-55.90000113A637 I638 T642A637-S640 PolarHBondContact O-N 2.89Å; I638-S640 PolarHBondContact O-N 3.26Å; I638-S640 VanDerWaalsContact O-N 3.15Å; S640-T642 PolarHBondContact O-N 3.04Å; S640-T642 VanDerWaalsContact O-N 3.11Å
641L91.1Very high92.2Very high0 Ų040.6 Ų40.60%020%0.202CC..  trans-85.573.4-176.3-55.6-179.4000111.6L615 M618 L621 L624 I638 F639 N643 L644 L666L615-L641 WeakPolarHBondContact O-CD2 3.24Å; M618-L641 HydrophobicContact CB-CD2 4.35Å; M618-L641 WeakPolarHBondContact O-CD2 3.47Å; L621-L641 HydrophobicContact CD1-CD1 3.98Å; L621-L641 HydrophobicContact CD1-CD2 4.29Å; L624-L641 HydrophobicContact CD2-CD1 3.88Å; I638-L641 HydrophobicContact CG2-CD1 4.37Å; I638-L641 VanDerWaalsContact O-CB 3.25Å; I638-L641 WeakPolarHBondContact O-CB 3.31Å; I638-L641 WeakPolarHBondContact O-CG 3.27Å; I638-L641 PolarHBondContact O-N 3.43Å; F639-L641 VanDerWaalsContact C-N 3.29Å; L641-N643 PolarHBondContact O-N 2.99Å; L641-N643 VanDerWaalsContact O-N 3.08Å; L641-L644 HydrophobicContact CB-CB 4.1Å; L641-L644 HydrophobicContact CD1-CD1 4.37Å; L641-L644 VanDerWaalsContact O-CB 3.25Å; L641-L644 WeakPolarHBondContact O-CB 3.1Å; L641-L644 PolarHBondContact O-N 3.47Å; L641-L644 VanDerWaalsContact O-N 3.08Å; L641-L666 WeakPolarHBondContact O-CD2 3.22Å
642T89.8Confident92.4Very high77 Ų7740.3 Ų40.347%0.47220%0.201SC..THydrogen-bonded Turntrans-63.2-19.3-172.355.90000115.1S640S640-T642 PolarHBondContact O-N 3.04Å; S640-T642 VanDerWaalsContact O-N 3.11Å
643N92.4Very high92.5Very high50 Ų5037.7 Ų37.727%0.26719%0.19SC..THydrogen-bonded Turntrans-90-4.5178.1-71.2-46.7000114.6T619 L621 L641 Q645 R668T619-N643 PolarHBondContact O-ND2 2.85Å; L621-N643 CarbonylContact O-C 3.47Å; L641-N643 PolarHBondContact O-N 2.99Å; L641-N643 VanDerWaalsContact O-N 3.08Å; N643-Q645 PolarHBondContact O-N 3.46Å; N643-R668 PolarHBondContact OD1-NH1 3.21Å
644L94.8Very high92.7Very high0 Ų029.8 Ų29.80%016%0.16CC..  trans-62.1125.7-174.4-161.772.4000111L621 L624 I638 L641 E646 L647 L666 R668 L669L621-L644 HydrophobicContact CB-CD1 4.48Å; L621-L644 PolarHBondContact O-N 3.32Å; L624-L644 HydrophobicContact CB-CD1 3.73Å; I638-L644 HydrophobicContact CG2-CD2 3.91Å; L641-L644 HydrophobicContact CB-CB 4.1Å; L641-L644 HydrophobicContact CD1-CD1 4.37Å; L641-L644 VanDerWaalsContact O-CB 3.25Å; L641-L644 WeakPolarHBondContact O-CB 3.1Å; L641-L644 PolarHBondContact O-N 3.47Å; L641-L644 VanDerWaalsContact O-N 3.08Å; L644-E646 WeakPolarHBondContact CD1-O 3.43Å; L644-L647 HydrophobicContact CD2-CB 3.94Å; L644-L647 HydrophobicContact CD2-CD1 4.23Å; L644-L647 HydrophobicContact CD2-CD2 4.47Å; L644-L647 HydrophobicContact CD2-CG 4.44Å; L644-L666 HydrophobicContact CB-CD2 4.43Å; L644-L666 HydrophobicContact CD2-CD1 4.38Å; L644-R668 CarbonylContact O-C 3.57Å; L644-L669 HydrophobicContact CD2-CD1 4.28Å; L644-L669 HydrophobicContact CG-CD1 4.34Å; L644-L669 WeakPolarHBondContact O-CA 3.41Å; L644-L669 PolarHBondContact O-N 2.9Å; L644-L669 VanDerWaalsContact O-N 3.14Å
645Q95.8Very high92.7Very high81 Ų8137 Ų3738%0.37919%0.187SC..  trans-106.1-38.1176.2-65179.533.100111I622 N643 R668 T670 C671I622-Q645 HydrophobicContact CG2-CB 3.82Å; I622-Q645 HydrophobicContact CG2-CG 3.79Å; I622-Q645 PolarHBondContact O-N 3.39Å; N643-Q645 PolarHBondContact O-N 3.46Å; Q645-R668 WeakPolarHBondContact CA-O 3.49Å; Q645-R668 HydrophobicContact CG-CB 4.31Å; Q645-T670 PolarHBondContact O-N 2.71Å; Q645-T670 PolarHBondContact O-OG1 3.21Å; Q645-C671 PolarHBondContact O-N 3.32Å
646E97.1Very high92.7Very high42 Ų4238.2 Ų38.220%0.19619%0.194CC..EExtended strand (participates in β ladder)trans-125.4130179.4-173.9160.8158.400111.7I622 E623 L624 L644 C671 K673I622-E646 PolarHBondContact O-N 3.12Å; E623-E646 WeakPolarHBondContact CA-O 3.41Å; E623-E646 HydrophobicContact CB-CB 4.4Å; E623-E646 HydrophobicContact CG-CB 4.06Å; L624-E646 PolarHBondContact N-O 3.38Å; L644-E646 WeakPolarHBondContact CD1-O 3.43Å; E646-C671 WeakPolarHBondContact CA-O 3.5Å; E646-C671 HydrophobicContact CB-CB 4.19Å; E646-C671 HydrophobicContact CG-CB 3.9Å; E646-K673 WeakPolarHBondContact OE1-CE 3.43Å; E646-K673 IonicContact OE1-NZ 3.87Å; E646-K673 PolarHBondContact OE1-NZ 3.23Å
647L96.1Very high92.8Very high0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-125.9116.6173.5179.559.6000109.9L624 I638 L644 L649 F663 L669 C671 L672 K673L624-L647 HydrophobicContact CB-CD1 4.18Å; L624-L647 HydrophobicContact CD2-CD1 4.04Å; L624-L647 HydrophobicContact CG-CD1 4.21Å; I638-L647 HydrophobicContact CD1-CD1 4.2Å; I638-L647 HydrophobicContact CG2-CD1 4.12Å; I638-L647 HydrophobicContact CG2-CD2 3.96Å; L644-L647 HydrophobicContact CD2-CB 3.94Å; L644-L647 HydrophobicContact CD2-CD1 4.23Å; L644-L647 HydrophobicContact CD2-CD2 4.47Å; L644-L647 HydrophobicContact CD2-CG 4.44Å; L647-L649 HydrophobicContact CD1-CD1 4.44Å; L647-L649 HydrophobicContact CD1-CD2 3.92Å; L647-L649 HydrophobicContact CD1-CG 4Å; L647-L649 HydrophobicContact CD2-CD1 4.22Å; L647-L649 HydrophobicContact CD2-CG 4.5Å; L647-L649 HydrophobicContact CG-CD1 4.35Å; L647-L649 HydrophobicContact CG-CG 4.08Å; L647-F663 HydrophobicContact CD2-CE1 4.07Å; L647-F663 HydrophobicContact CD2-CZ 4.11Å; L647-L669 HydrophobicContact CB-CD1 3.95Å; L647-C671 PolarHBondContact N-O 3.34Å; L647-L672 HydrophobicContact CB-CD1 4.09Å; L647-L672 HydrophobicContact CD2-CD1 3.94Å; L647-L672 HydrophobicContact CG-CD1 4.12Å; L647-K673 PolarHBondContact O-N 3.26Å
648D96.6Very high92.5Very high1 Ų138.8 Ų38.81%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-114.1113.6174.3-171.1-5.5000110.8L624 E625 L626 H627 K650 K673L624-D648 PolarHBondContact O-N 2.82Å; E625-D648 CarbonylContact C-O 3.52Å; E625-D648 WeakPolarHBondContact CA-O 3.39Å; E625-D648 HydrophobicContact CB-CB 4.32Å; E625-D648 HydrophobicContact CG-CB 3.98Å; L626-D648 PolarHBondContact N-O 3.28Å; H627-D648 IonicContact CD2-OD1 3.05Å; H627-D648 IonicContact CD2-OD2 2.66Å; H627-D648 IonicContact CE1-OD2 3.85Å; H627-D648 IonicContact NE2-OD1 2.7Å; H627-D648 IonicContact NE2-OD2 3.75Å; H627-D648 PolarHBondContact NE2-OD2 3.47Å; D648-K650 VanDerWaalsContact OD1-CB 3.23Å; D648-K650 WeakPolarHBondContact OD1-CB 3.11Å; D648-K650 WeakPolarHBondContact OD1-CG 3.4Å; D648-K650 PolarHBondContact OD1-N 2.97Å; D648-K650 IonicContact OD2-NZ 3.78Å; D648-K650 PolarHBondContact OD2-NZ 3.22Å; D648-K673 HydrophobicContact CB-CB 4.12Å; D648-K673 HydrophobicContact CB-CD 4.07Å
649L95.1Very high92.1Very high0 Ų039.7 Ų39.70%020%0.201CC..  trans-118.635.4174.4-54175000111L626 L631 I634 I638 L647 N652 I654 K673 L674 N677L626-L649 HydrophobicContact CB-CD2 3.73Å; L626-L649 HydrophobicContact CD1-CD2 3.84Å; L626-L649 HydrophobicContact CG-CD2 4.05Å; L631-L649 HydrophobicContact CD1-CD2 4.39Å; I634-L649 HydrophobicContact CB-CD1 4.46Å; I634-L649 HydrophobicContact CD1-CD1 4.26Å; I634-L649 HydrophobicContact CG1-CD1 3.92Å; I634-L649 HydrophobicContact CG2-CD1 4.05Å; I638-L649 HydrophobicContact CD1-CD2 4.29Å; L647-L649 HydrophobicContact CD1-CD1 4.44Å; L647-L649 HydrophobicContact CD1-CD2 3.92Å; L647-L649 HydrophobicContact CD1-CG 4Å; L647-L649 HydrophobicContact CD2-CD1 4.22Å; L647-L649 HydrophobicContact CD2-CG 4.5Å; L647-L649 HydrophobicContact CG-CD1 4.35Å; L647-L649 HydrophobicContact CG-CG 4.08Å; L649-N652 VanDerWaalsContact C-ND2 3.31Å; L649-N652 PolarHBondContact O-ND2 2.87Å; L649-I654 HydrophobicContact CB-CD1 3.98Å; L649-I654 HydrophobicContact CD1-CD1 4.06Å; L649-K673 PolarHBondContact N-O 2.9Å; L649-L674 HydrophobicContact CB-CD2 3.97Å; L649-L674 HydrophobicContact CD1-CD2 4.07Å; L649-L674 HydrophobicContact CG-CD2 4.42Å; L649-N677 PolarHBondContact O-ND2 2.59Å
650K93.8Very high91.7Very high52 Ų5239 Ų3923%0.22620%0.197CC..  trans-61155.718070.3-175.8-177.8-139.40114.4H627 N628 D648 N652 W675H627-K650 HydrophobicContact CB-CG 4.38Å; H627-K650 VanDerWaalsContact CD2-CG 3.46Å; H627-K650 WeakPolarHBondContact CD2-CG 3.3Å; H627-K650 WeakPolarHBondContact CE1-CE 3.44Å; H627-K650 PolarHBondContact CE1-NZ 2.94Å; H627-K650 VanDerWaalsContact CG-CE 3.48Å; H627-K650 VanDerWaalsContact ND1-CE 3.27Å; H627-K650 WeakPolarHBondContact ND1-CE 3.44Å; H627-K650 VanDerWaalsContact NE2-CE 3.34Å; H627-K650 WeakPolarHBondContact NE2-CE 3.41Å; H627-K650 PolarHBondContact NE2-NZ 3.4Å; N628-K650 PolarHBondContact N-O 2.91Å; D648-K650 VanDerWaalsContact OD1-CB 3.23Å; D648-K650 WeakPolarHBondContact OD1-CB 3.11Å; D648-K650 WeakPolarHBondContact OD1-CG 3.4Å; D648-K650 PolarHBondContact OD1-N 2.97Å; D648-K650 IonicContact OD2-NZ 3.78Å; D648-K650 PolarHBondContact OD2-NZ 3.22Å; K650-N652 VanDerWaalsContact C-N 3.28Å; K650-N652 PolarHBondContact O-N 3.39Å; K650-N652 PolarHBondContact O-ND2 3.45Å; K650-N652 VanDerWaalsContact O-ND2 3.17Å; K650-W675 WeakPolarHBondContact CA-O 3.34Å; K650-W675 HydrophobicContact CB-CD2 4.44Å; K650-W675 HydrophobicContact CB-CG 4.19Å; K650-W675 HydrophobicContact CB-CZ2 4.48Å; K650-W675 HydrophobicContact CD-CZ2 3.71Å
651S93.9Very high91.2Very high47 Ų4740.9 Ų40.933%0.32920%0.203SC..SBendtrans55.842.6173.5-55.60000112.3N628 W675 H676N628-S651 VanDerWaalsContact CA-O 3.24Å; N628-S651 WeakPolarHBondContact CA-O 3.34Å; N628-S651 PolarHBondContact N-O 3.45Å; S651-W675 PolarHBondContact N-O 3.01Å; S651-H676 VanDerWaalsContact CA-O 3.23Å; S651-H676 WeakPolarHBondContact CA-O 3.3Å; S651-H676 PolarHBondContact N-O 3.46Å
652N94.7Very high91Very high7 Ų742.4 Ų42.44%0.03721%0.214CC..SBendtrans-110.7-173173.8-78.1-72.5000110.2L626 C629 E630 L631 L649 K650 I654 H676 N677L626-N652 PolarHBondContact O-ND2 3.36Å; C629-N652 WeakPolarHBondContact CA-OD1 3.34Å; C629-N652 WeakPolarHBondContact CB-OD1 3.28Å; C629-N652 PolarHBondContact N-OD1 2.91Å; E630-N652 PolarHBondContact N-OD1 3.29Å; L631-N652 HydrophobicContact CB-CB 4.16Å; L631-N652 PolarHBondContact N-OD1 3.05Å; L631-N652 VanDerWaalsContact N-OD1 3.13Å; L649-N652 VanDerWaalsContact C-ND2 3.31Å; L649-N652 PolarHBondContact O-ND2 2.87Å; K650-N652 VanDerWaalsContact C-N 3.28Å; K650-N652 PolarHBondContact O-N 3.39Å; K650-N652 PolarHBondContact O-ND2 3.45Å; K650-N652 VanDerWaalsContact O-ND2 3.17Å; N652-I654 HydrophobicContact CB-CD1 4.23Å; N652-I654 HydrophobicContact CB-CG1 4.03Å; N652-H676 PolarHBondContact N-O 3.17Å; N652-N677 WeakPolarHBondContact CA-OD1 3.46Å; N652-N677 WeakPolarHBondContact CB-OD1 3.37Å; N652-N677 PolarHBondContact N-OD1 2.7Å; N652-N677 PolarHBondContact O-OD1 3.47Å; N652-N677 VanDerWaalsContact O-OD1 3.1Å
653N93.9Very high90.7Very high48 Ų4838.8 Ų38.826%0.25719%0.191SC..  trans-105.927.5179.5-77.2-51.6000112.2L631 R655 K678L631-N653 CarbonylContact O-C 3.32Å; L631-N653 VanDerWaalsContact O-CA 3.31Å; L631-N653 WeakPolarHBondContact O-CA 3.34Å; L631-N653 PolarHBondContact O-N 2.86Å; N653-R655 PolarHBondContact O-N 2.93Å; N653-K678 PolarHBondContact OD1-NZ 2.86Å
654I94.3Very high90.2Very high0 Ų040.9 Ų40.90%020%0.2CC..  trans-68.6121.6-172.6-58170.7000109.6L631 E632 I634 L649 N652 T656 I657 L674 N677 K678 I679L631-I654 HydrophobicContact CB-CG1 4.46Å; L631-I654 WeakPolarHBondContact O-CG1 3.48Å; L631-I654 PolarHBondContact O-N 3.08Å; L631-I654 VanDerWaalsContact O-N 3.1Å; E632-I654 WeakPolarHBondContact O-CA 3.44Å; I634-I654 HydrophobicContact CG1-CD1 4.2Å; L649-I654 HydrophobicContact CB-CD1 3.98Å; L649-I654 HydrophobicContact CD1-CD1 4.06Å; N652-I654 HydrophobicContact CB-CD1 4.23Å; N652-I654 HydrophobicContact CB-CG1 4.03Å; I654-T656 VanDerWaalsContact CG2-O 3.28Å; I654-T656 WeakPolarHBondContact CG2-O 3.32Å; I654-I657 HydrophobicContact CG2-CG2 4.08Å; I654-L674 HydrophobicContact CD1-CD2 4.3Å; I654-N677 HydrophobicContact CB-CB 4.29Å; I654-N677 VanDerWaalsContact CB-OD1 3.3Å; I654-N677 WeakPolarHBondContact CB-OD1 3.34Å; I654-N677 WeakPolarHBondContact CG1-OD1 3.43Å; I654-N677 PolarHBondContact N-OD1 2.87Å; I654-K678 CarbonylContact O-C 3.54Å; I654-K678 WeakPolarHBondContact O-CA 3.31Å; I654-K678 PolarHBondContact O-N 3.32Å; I654-I679 HydrophobicContact CG2-CG1 4.25Å; I654-I679 PolarHBondContact O-N 2.85Å
655R92.4Very high89.7Confident155 Ų15545.7 Ų45.759%0.58522%0.222SC*.  trans-99.9-32.8-179.6-61.9-174.8-173.1-173.22.5113.6E632 N653 K678 I679 I680E632-R655 PolarHBondContact O-N 3.27Å; N653-R655 PolarHBondContact O-N 2.93Å; R655-K678 WeakPolarHBondContact CA-O 3.37Å; R655-K678 HydrophobicContact CG-CB 4.17Å; R655-I679 WeakPolarHBondContact O-CA 3.47Å; R655-I680 PolarHBondContact O-N 3.28Å
656T89.3Confident89.4Confident46 Ų4641.9 Ų41.928%0.28220%0.204SC..  trans-134.3149.8-175.756.10000109.4I654I654-T656 VanDerWaalsContact CG2-O 3.28Å; I654-T656 WeakPolarHBondContact CG2-O 3.32Å
657I88.8Confident89Confident5 Ų549.9 Ų49.93%0.02623%0.232CC..  trans-124.938.6175.554166.8000110.5I634 I654 E659 I660 L674 I679 I682 P683I634-I657 HydrophobicContact CD1-CB 4.44Å; I634-I657 HydrophobicContact CD1-CG2 3.89Å; I654-I657 HydrophobicContact CG2-CG2 4.08Å; I657-E659 PolarHBondContact O-N 2.85Å; I657-I660 HydrophobicContact CD1-CD1 4.03Å; I657-I660 VanDerWaalsContact O-CB 3.29Å; I657-I660 WeakPolarHBondContact O-CB 3.35Å; I657-I660 PolarHBondContact O-N 3.04Å; I657-L674 HydrophobicContact CG2-CD1 4.21Å; I657-I679 HydrophobicContact CD1-CG2 4.46Å; I657-I679 HydrophobicContact CG1-CG2 4.3Å; I657-I679 HydrophobicContact CG2-CD1 3.9Å; I657-I679 HydrophobicContact CG2-CG1 4.32Å; I657-I682 HydrophobicContact CD1-CB 4.41Å; I657-I682 HydrophobicContact CD1-CG1 4.39Å; I657-I682 HydrophobicContact CD1-CG2 4.1Å; I657-P683 HydrophobicContact CG1-CG 4.32Å; I657-P683 WeakPolarHBondContact O-CG 3.3Å
658E83.4Confident88.8Confident138 Ų13856.6 Ų56.665%0.64526%0.258SS*.G310 helixtrans-62.3-25.5178.9-67.9-174.6172.100112.3I660E658-I660 PolarHBondContact O-N 3.03Å
659E81.9Confident88.7Confident19 Ų1956.5 Ų56.59%0.08926%0.257CS..G310 helixtrans-64.4-3.8173.9-56.585.417200113R633 F639 I657 I661 S662R633-E659 WeakPolarHBondContact CD-OE1 3.36Å; F639-E659 HydrophobicContact CE2-CB 3.91Å; F639-E659 HydrophobicContact CZ-CB 3.72Å; I657-E659 PolarHBondContact O-N 2.85Å; E659-I661 PolarHBondContact O-N 3.41Å; E659-I661 VanDerWaalsContact O-N 3.11Å; E659-S662 WeakPolarHBondContact O-CB 3.33Å; E659-S662 PolarHBondContact O-N 3.19Å
660I80.1Confident88.8Confident1 Ų158.7 Ų58.71%0.00527%0.27CS..G310 helixtrans-60.2-22.6178-143.8143.9000113.5I657 E658 S662 F663 P683 I686I657-I660 HydrophobicContact CD1-CD1 4.03Å; I657-I660 VanDerWaalsContact O-CB 3.29Å; I657-I660 WeakPolarHBondContact O-CB 3.35Å; I657-I660 PolarHBondContact O-N 3.04Å; E658-I660 PolarHBondContact O-N 3.03Å; I660-S662 PolarHBondContact O-N 2.69Å; I660-F663 VanDerWaalsContact CA-CD2 3.46Å; I660-F663 HydrophobicContact CB-CD2 4.25Å; I660-F663 HydrophobicContact CG1-CB 4.24Å; I660-F663 HydrophobicContact CG1-CD1 4.45Å; I660-F663 HydrophobicContact CG1-CD2 3.87Å; I660-F663 HydrophobicContact CG1-CE2 4.21Å; I660-F663 HydrophobicContact CG1-CG 3.95Å; I660-F663 VanDerWaalsContact O-CB 3.29Å; I660-F663 WeakPolarHBondContact O-CB 3.28Å; I660-F663 PolarHBondContact O-N 2.89Å; I660-P683 HydrophobicContact CB-CG 4.38Å; I660-P683 HydrophobicContact CG2-CG 3.51Å; I660-I686 HydrophobicContact CD1-CB 4.37Å; I660-I686 HydrophobicContact CD1-CD1 3.32Å; I660-I686 HydrophobicContact CD1-CG1 4.38Å; I660-I686 HydrophobicContact CG1-CD1 4.09Å
661I80.4Confident88.9Confident89 Ų8956.8 Ų56.846%0.45626%0.264SS..G310 helixtrans-55.1-38.1172.5-59.2172.6000110E659 F663 Q664 S685E659-I661 PolarHBondContact O-N 3.41Å; E659-I661 VanDerWaalsContact O-N 3.11Å; I661-F663 VanDerWaalsContact C-N 3.28Å; I661-F663 PolarHBondContact O-N 3.43Å; I661-Q664 VanDerWaalsContact O-CD 3.31Å; I661-Q664 WeakPolarHBondContact O-CG 3.32Å; I661-Q664 PolarHBondContact O-N 3.44Å; I661-S685 WeakPolarHBondContact CG1-OG 3.28Å
662S86.1Confident89Confident33 Ų3354.7 Ų54.723%0.23125%0.249CC..G310 helixtrans-74.4-12.8178.9-57.40000113.8F639 E659 I660 Q664 H665F639-S662 VanDerWaalsContact CD2-CB 3.4Å; F639-S662 VanDerWaalsContact CG-CB 3.5Å; E659-S662 WeakPolarHBondContact O-CB 3.33Å; E659-S662 PolarHBondContact O-N 3.19Å; I660-S662 PolarHBondContact O-N 2.69Å; S662-Q664 PolarHBondContact O-N 3.31Å; S662-H665 WeakPolarHBondContact O-CB 3.35Å; S662-H665 PolarHBondContact O-CD2 3.49Å; S662-H665 PolarHBondContact O-N 3.03Å; S662-H665 VanDerWaalsContact O-N 3.13Å
663F83.7Confident89.1Confident1 Ų156.3 Ų56.30%0.00426%0.255CS..G310 helixtrans-67.8-15.7174.7-77.5-122.3000112.5I634 F639 L647 I660 I661 H665 L666 L669 L672 V689I634-F663 HydrophobicContact CD1-CE2 4Å; I634-F663 HydrophobicContact CD1-CZ 3.83Å; I634-F663 HydrophobicContact CG2-CE2 4.38Å; I634-F663 HydrophobicContact CG2-CZ 4.43Å; F639-F663 HydrophobicContact CD1-CD2 4.12Å; F639-F663 HydrophobicContact CD1-CE2 4.42Å; F639-F663 AromaticContact CE1-CD2 3.33Å; F639-F663 HydrophobicContact CE1-CD2 3.33Å; F639-F663 AromaticContact CE1-CE2 3.31Å; F639-F663 HydrophobicContact CE1-CE2 3.31Å; F639-F663 HydrophobicContact CE1-CG 4.27Å; F639-F663 HydrophobicContact CE1-CZ 4.13Å; F639-F663 HydrophobicContact CZ-CD2 4.04Å; F639-F663 AromaticContact CZ-CE2 3.81Å; F639-F663 HydrophobicContact CZ-CE2 3.81Å; L647-F663 HydrophobicContact CD2-CE1 4.07Å; L647-F663 HydrophobicContact CD2-CZ 4.11Å; I660-F663 VanDerWaalsContact CA-CD2 3.46Å; I660-F663 HydrophobicContact CB-CD2 4.25Å; I660-F663 HydrophobicContact CG1-CB 4.24Å; I660-F663 HydrophobicContact CG1-CD1 4.45Å; I660-F663 HydrophobicContact CG1-CD2 3.87Å; I660-F663 HydrophobicContact CG1-CE2 4.21Å; I660-F663 HydrophobicContact CG1-CG 3.95Å; I660-F663 VanDerWaalsContact O-CB 3.29Å; I660-F663 WeakPolarHBondContact O-CB 3.28Å; I660-F663 PolarHBondContact O-N 2.89Å; I661-F663 VanDerWaalsContact C-N 3.28Å; I661-F663 PolarHBondContact O-N 3.43Å; F663-H665 PolarHBondContact O-N 3.36Å; F663-L666 HydrophobicContact CD1-CD1 4.06Å; F663-L666 HydrophobicContact CE1-CD1 4.42Å; F663-L666 HydrophobicContact CG-CD1 4.33Å; F663-L666 WeakPolarHBondContact O-CB 3.22Å; F663-L666 PolarHBondContact O-N 3.49Å; F663-L669 HydrophobicContact CD1-CD2 3.49Å; F663-L669 VanDerWaalsContact CD1-CD2 3.49Å; F663-L669 HydrophobicContact CE1-CD2 3.76Å; F663-L672 HydrophobicContact CD1-CD2 4.43Å; F663-L672 HydrophobicContact CE1-CD1 3.91Å; F663-L672 HydrophobicContact CE1-CD2 3.79Å; F663-L672 HydrophobicContact CE1-CG 4.49Å; F663-L672 HydrophobicContact CZ-CD1 4.38Å; F663-L672 HydrophobicContact CZ-CD2 4.4Å; F663-V689 HydrophobicContact CB-CG2 3.55Å; F663-V689 HydrophobicContact CG-CG2 4.48Å
664Q80.9Confident89.2Confident94 Ų9454 Ų5444%0.43924%0.243SC..G310 helixtrans-55.6-22.917073.9-173.7-12.800113I661 S662I661-Q664 VanDerWaalsContact O-CD 3.31Å; I661-Q664 WeakPolarHBondContact O-CG 3.32Å; I661-Q664 PolarHBondContact O-N 3.44Å; S662-Q664 PolarHBondContact O-N 3.31Å
665H86Confident89.3Confident100 Ų10056.6 Ų56.646%0.46325%0.253SS..G310 helixtrans-78.6-22.4176-57.7-58.6000112.6S662 F663 R667S662-H665 WeakPolarHBondContact O-CB 3.35Å; S662-H665 PolarHBondContact O-CD2 3.49Å; S662-H665 PolarHBondContact O-N 3.03Å; S662-H665 VanDerWaalsContact O-N 3.13Å; F663-H665 PolarHBondContact O-N 3.36Å; H665-R667 PolarHBondContact O-N 3.21Å; H665-R667 VanDerWaalsContact O-N 3.15Å
666L89.7Confident89.4Confident1 Ų153.5 Ų53.51%0.00525%0.245CC..  trans-88.766.2179.6-57.1179.5000111.1F639 L641 L644 F663 R668 L669F639-L666 HydrophobicContact CD1-CD1 4.22Å; L641-L666 WeakPolarHBondContact O-CD2 3.22Å; L644-L666 HydrophobicContact CB-CD2 4.43Å; L644-L666 HydrophobicContact CD2-CD1 4.38Å; F663-L666 HydrophobicContact CD1-CD1 4.06Å; F663-L666 HydrophobicContact CE1-CD1 4.42Å; F663-L666 HydrophobicContact CG-CD1 4.33Å; F663-L666 WeakPolarHBondContact O-CB 3.22Å; F663-L666 PolarHBondContact O-N 3.49Å; L666-R668 PolarHBondContact O-N 3.19Å; L666-L669 HydrophobicContact CB-CB 4.03Å; L666-L669 HydrophobicContact CD1-CD2 4.39Å; L666-L669 WeakPolarHBondContact O-CB 3.43Å; L666-L669 PolarHBondContact O-N 3.33Å; L666-L669 VanDerWaalsContact O-N 3.11Å
667R86.9Confident89.8Confident210 Ų21051.8 Ų51.879%0.79223%0.234SC*.THydrogen-bonded Turntrans-63-16.1-172.3-62.1-176.7179.9-178.10.6115H665 S691H665-R667 PolarHBondContact O-N 3.21Å; H665-R667 VanDerWaalsContact O-N 3.15Å; R667-S691 WeakPolarHBondContact O-CB 3.42Å; R667-S691 PolarHBondContact O-OG 3.1Å
668R93.1Very high90.1Very high141 Ų14155.6 Ų55.653%0.53225%0.251SS..THydrogen-bonded Turntrans-103-0.8-178.5-69.1-177.6171.7179.6-5.5113.3N643 L644 Q645 L666 T670N643-R668 PolarHBondContact OD1-NH1 3.21Å; L644-R668 CarbonylContact O-C 3.57Å; Q645-R668 WeakPolarHBondContact CA-O 3.49Å; Q645-R668 HydrophobicContact CG-CB 4.31Å; L666-R668 PolarHBondContact O-N 3.19Å; R668-T670 PolarHBondContact O-N 3.17Å; R668-T670 VanDerWaalsContact O-N 3.15Å
669L94.5Very high90.7Very high0 Ų049 Ų490%022%0.22CC..  trans-67.7114.9-177.2-170.175.5000110.2L644 L647 F663 L666 L672 V689 S691 L692L644-L669 HydrophobicContact CD2-CD1 4.28Å; L644-L669 HydrophobicContact CG-CD1 4.34Å; L644-L669 WeakPolarHBondContact O-CA 3.41Å; L644-L669 PolarHBondContact O-N 2.9Å; L644-L669 VanDerWaalsContact O-N 3.14Å; L647-L669 HydrophobicContact CB-CD1 3.95Å; F663-L669 HydrophobicContact CD1-CD2 3.49Å; F663-L669 VanDerWaalsContact CD1-CD2 3.49Å; F663-L669 HydrophobicContact CE1-CD2 3.76Å; L666-L669 HydrophobicContact CB-CB 4.03Å; L666-L669 HydrophobicContact CD1-CD2 4.39Å; L666-L669 WeakPolarHBondContact O-CB 3.43Å; L666-L669 PolarHBondContact O-N 3.33Å; L666-L669 VanDerWaalsContact O-N 3.11Å; L669-L672 HydrophobicContact CD2-CB 4.46Å; L669-V689 HydrophobicContact CD2-CG1 4.38Å; L669-S691 CarbonylContact O-C 3.5Å; L669-S691 VanDerWaalsContact O-C 3.27Å; L669-S691 VanDerWaalsContact O-CB 3.27Å; L669-S691 WeakPolarHBondContact O-CB 3.37Å; L669-S691 PolarHBondContact O-OG 3.47Å; L669-L692 HydrophobicContact CD2-CD1 4.37Å; L669-L692 HydrophobicContact CG-CD1 4.37Å; L669-L692 PolarHBondContact O-N 2.92Å
670T96.1Very high91.3Very high45 Ų4551.9 Ų51.928%0.27624%0.235SC..  trans-107.1-29.4179.353.70000111.6Q645 R668 E693 S694Q645-T670 PolarHBondContact O-N 2.71Å; Q645-T670 PolarHBondContact O-OG1 3.21Å; R668-T670 PolarHBondContact O-N 3.17Å; R668-T670 VanDerWaalsContact O-N 3.15Å; T670-E693 HydrophobicContact CG2-CG 4.35Å; T670-E693 WeakPolarHBondContact O-CA 3.41Å; T670-E693 PolarHBondContact O-N 3.17Å; T670-S694 PolarHBondContact O-N 2.96Å
671C97.1Very high91.9Very high13 Ų1355.7 Ų55.79%0.08826%0.259CS..EExtended strand (participates in β ladder)trans-128.6123.1-175.7-172.70000111.1Q645 E646 L647 S694Q645-C671 PolarHBondContact O-N 3.32Å; E646-C671 WeakPolarHBondContact CA-O 3.5Å; E646-C671 HydrophobicContact CB-CB 4.19Å; E646-C671 HydrophobicContact CG-CB 3.9Å; L647-C671 PolarHBondContact N-O 3.34Å; C671-S694 WeakPolarHBondContact CA-O 3.38Å
672L95.8Very high92.5Very high2 Ų252 Ų521%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-124.5116.4175.5-179.957.8000110.1L647 F663 L669 L674 L692 S694 L695 H696L647-L672 HydrophobicContact CB-CD1 4.09Å; L647-L672 HydrophobicContact CD2-CD1 3.94Å; L647-L672 HydrophobicContact CG-CD1 4.12Å; F663-L672 HydrophobicContact CD1-CD2 4.43Å; F663-L672 HydrophobicContact CE1-CD1 3.91Å; F663-L672 HydrophobicContact CE1-CD2 3.79Å; F663-L672 HydrophobicContact CE1-CG 4.49Å; F663-L672 HydrophobicContact CZ-CD1 4.38Å; F663-L672 HydrophobicContact CZ-CD2 4.4Å; L669-L672 HydrophobicContact CD2-CB 4.46Å; L672-L674 HydrophobicContact CD1-CD1 4.14Å; L672-L674 HydrophobicContact CD1-CD2 4.37Å; L672-L674 HydrophobicContact CD1-CG 3.98Å; L672-L674 HydrophobicContact CD2-CD1 3.88Å; L672-L674 HydrophobicContact CG-CD1 3.91Å; L672-L674 HydrophobicContact CG-CG 4.03Å; L672-L692 HydrophobicContact CB-CD1 3.78Å; L672-S694 PolarHBondContact N-O 3.31Å; L672-L695 HydrophobicContact CB-CD1 4.02Å; L672-L695 HydrophobicContact CD2-CD1 3.94Å; L672-L695 HydrophobicContact CG-CD1 4.03Å; L672-L695 WeakPolarHBondContact O-CA 3.17Å; L672-H696 PolarHBondContact O-N 2.9Å
673K96.8Very high92.8Very high41 Ų4151.9 Ų51.918%0.17824%0.238CC..EExtended strand (participates in β ladder)trans-113.8116.6179.8-63165.4171.2173.30109.8E646 L647 D648 L649 W675 H696E646-K673 WeakPolarHBondContact OE1-CE 3.43Å; E646-K673 IonicContact OE1-NZ 3.87Å; E646-K673 PolarHBondContact OE1-NZ 3.23Å; L647-K673 PolarHBondContact O-N 3.26Å; D648-K673 HydrophobicContact CB-CB 4.12Å; D648-K673 HydrophobicContact CB-CD 4.07Å; L649-K673 PolarHBondContact N-O 2.9Å; K673-W675 HydrophobicContact CB-CE3 4.22Å; K673-W675 HydrophobicContact CB-CH2 4.24Å; K673-W675 HydrophobicContact CB-CZ3 4Å; K673-W675 HydrophobicContact CD-CH2 3.55Å; K673-W675 HydrophobicContact CD-CZ2 4.37Å; K673-W675 HydrophobicContact CD-CZ3 3.82Å; K673-W675 HydrophobicContact CG-CE3 4.28Å; K673-W675 HydrophobicContact CG-CH2 3.9Å; K673-W675 HydrophobicContact CG-CZ3 3.63Å; K673-H696 HydrophobicContact CG-CB 4.45Å
674L95.8Very high93.1Very high1 Ų155 Ų551%0.00526%0.264CS..  trans-132.622.4-176.1-69.8173.2000111.5I634 L649 I654 I657 L672 N677 I679 H696 L697 N700I634-L674 HydrophobicContact CD1-CD2 4.32Å; L649-L674 HydrophobicContact CB-CD2 3.97Å; L649-L674 HydrophobicContact CD1-CD2 4.07Å; L649-L674 HydrophobicContact CG-CD2 4.42Å; I654-L674 HydrophobicContact CD1-CD2 4.3Å; I657-L674 HydrophobicContact CG2-CD1 4.21Å; L672-L674 HydrophobicContact CD1-CD1 4.14Å; L672-L674 HydrophobicContact CD1-CD2 4.37Å; L672-L674 HydrophobicContact CD1-CG 3.98Å; L672-L674 HydrophobicContact CD2-CD1 3.88Å; L672-L674 HydrophobicContact CG-CD1 3.91Å; L672-L674 HydrophobicContact CG-CG 4.03Å; L674-N677 PolarHBondContact O-ND2 3.13Å; L674-N677 VanDerWaalsContact O-ND2 3.09Å; L674-I679 HydrophobicContact CB-CD1 3.95Å; L674-I679 HydrophobicContact CD1-CD1 4.23Å; L674-H696 WeakPolarHBondContact CA-O 3.23Å; L674-H696 PolarHBondContact N-O 3.27Å; L674-L697 HydrophobicContact CB-CD2 3.7Å; L674-L697 HydrophobicContact CD1-CD2 4Å; L674-L697 HydrophobicContact CG-CD2 4.49Å; L674-N700 PolarHBondContact O-ND2 3.45Å
675W95.7Very high93.4Very high53 Ų5351.8 Ų51.820%0.20125%0.252CS..  trans-70.9161.7-178.364.960.1000112.8K650 S651 K673 N677 H696 S698K650-W675 WeakPolarHBondContact CA-O 3.34Å; K650-W675 HydrophobicContact CB-CD2 4.44Å; K650-W675 HydrophobicContact CB-CG 4.19Å; K650-W675 HydrophobicContact CB-CZ2 4.48Å; K650-W675 HydrophobicContact CD-CZ2 3.71Å; S651-W675 PolarHBondContact N-O 3.01Å; K673-W675 HydrophobicContact CB-CE3 4.22Å; K673-W675 HydrophobicContact CB-CH2 4.24Å; K673-W675 HydrophobicContact CB-CZ3 4Å; K673-W675 HydrophobicContact CD-CH2 3.55Å; K673-W675 HydrophobicContact CD-CZ2 4.37Å; K673-W675 HydrophobicContact CD-CZ3 3.82Å; K673-W675 HydrophobicContact CG-CE3 4.28Å; K673-W675 HydrophobicContact CG-CH2 3.9Å; K673-W675 HydrophobicContact CG-CZ3 3.63Å; W675-N677 PolarHBondContact O-N 2.93Å; W675-N677 PolarHBondContact O-ND2 3Å; W675-H696 HydrophobicContact CE3-CB 3.38Å; W675-H696 AromaticContact CE3-CG 3.79Å; W675-H696 HydrophobicContact CZ3-CB 3.79Å; W675-H696 AromaticContact CZ3-CG 3.67Å; W675-H696 AromaticContact CZ3-ND1 3.89Å; W675-S698 CarbonylContact C-O 3.59Å; W675-S698 WeakPolarHBondContact CA-O 3.2Å; W675-S698 VanDerWaalsContact CB-O 3.24Å; W675-S698 WeakPolarHBondContact CB-O 3.39Å; W675-S698 VanDerWaalsContact CB-OG 3.26Å; W675-S698 WeakPolarHBondContact CB-OG 3.32Å
676H96.1Very high93.6Very high91 Ų9147.1 Ų47.142%0.42123%0.23SC..SBendtrans53.450.2-175.7-67.3-66.5000112.7S651 N652 S698 H699S651-H676 VanDerWaalsContact CA-O 3.23Å; S651-H676 WeakPolarHBondContact CA-O 3.3Å; S651-H676 PolarHBondContact N-O 3.46Å; N652-H676 PolarHBondContact N-O 3.17Å; H676-S698 PolarHBondContact N-O 3.42Å; H676-H699 WeakPolarHBondContact CA-O 3.41Å; H676-H699 AromaticContact CE1-CD2 3.24Å; H676-H699 PolarHBondContact CE1-CD2 3.46Å; H676-H699 AromaticContact CE1-CG 3.36Å; H676-H699 AromaticContact CE1-ND1 3.85Å; H676-H699 AromaticContact CE1-NE2 3.68Å; H676-H699 PolarHBondContact N-O 2.92Å; H676-H699 VanDerWaalsContact ND1-CB 3.34Å; H676-H699 WeakPolarHBondContact ND1-CB 3.43Å; H676-H699 AromaticContact ND1-CD2 3.78Å; H676-H699 AromaticContact ND1-CG 3.48Å; H676-H699 AromaticContact NE2-CD2 3.72Å
677N96.4Very high93.5Very high10 Ų1047.7 Ų47.75%0.05324%0.236CC..SBendtrans-122.5-164.4174.4-84.8-79000109.7L649 N652 I654 L674 W675 I679 H699 N700L649-N677 PolarHBondContact O-ND2 2.59Å; N652-N677 WeakPolarHBondContact CA-OD1 3.46Å; N652-N677 WeakPolarHBondContact CB-OD1 3.37Å; N652-N677 PolarHBondContact N-OD1 2.7Å; N652-N677 PolarHBondContact O-OD1 3.47Å; N652-N677 VanDerWaalsContact O-OD1 3.1Å; I654-N677 HydrophobicContact CB-CB 4.29Å; I654-N677 VanDerWaalsContact CB-OD1 3.3Å; I654-N677 WeakPolarHBondContact CB-OD1 3.34Å; I654-N677 WeakPolarHBondContact CG1-OD1 3.43Å; I654-N677 PolarHBondContact N-OD1 2.87Å; L674-N677 PolarHBondContact O-ND2 3.13Å; L674-N677 VanDerWaalsContact O-ND2 3.09Å; W675-N677 PolarHBondContact O-N 2.93Å; W675-N677 PolarHBondContact O-ND2 3Å; N677-I679 HydrophobicContact CB-CD1 4.24Å; N677-I679 HydrophobicContact CB-CG1 4.08Å; N677-H699 PolarHBondContact N-O 3.18Å; N677-N700 WeakPolarHBondContact CA-OD1 3.29Å; N677-N700 WeakPolarHBondContact CB-OD1 3.45Å; N677-N700 PolarHBondContact O-OD1 3.5Å
678K95.9Very high93.5Very high84 Ų8442.9 Ų42.937%0.36522%0.222SC..  trans-121.630.5-179.6-67171.8179.4160.10111.2N653 I654 R655 I680 N700N653-K678 PolarHBondContact OD1-NZ 2.86Å; I654-K678 CarbonylContact O-C 3.54Å; I654-K678 WeakPolarHBondContact O-CA 3.31Å; I654-K678 PolarHBondContact O-N 3.32Å; R655-K678 WeakPolarHBondContact CA-O 3.37Å; R655-K678 HydrophobicContact CG-CB 4.17Å; K678-I680 PolarHBondContact O-N 3.08Å; K678-N700 PolarHBondContact N-OD1 3.38Å
679I96.1Very high93.3Very high0 Ų036.3 Ų36.30%020%0.198CC..  trans-69.4127.3-173.6-57.1168.7000109.8I654 R655 I657 L674 N677 T681 L697 N700 K701 L702I654-I679 HydrophobicContact CG2-CG1 4.25Å; I654-I679 PolarHBondContact O-N 2.85Å; R655-I679 WeakPolarHBondContact O-CA 3.47Å; I657-I679 HydrophobicContact CD1-CG2 4.46Å; I657-I679 HydrophobicContact CG1-CG2 4.3Å; I657-I679 HydrophobicContact CG2-CD1 3.9Å; I657-I679 HydrophobicContact CG2-CG1 4.32Å; L674-I679 HydrophobicContact CB-CD1 3.95Å; L674-I679 HydrophobicContact CD1-CD1 4.23Å; N677-I679 HydrophobicContact CB-CD1 4.24Å; N677-I679 HydrophobicContact CB-CG1 4.08Å; I679-T681 WeakPolarHBondContact CG2-O 3.26Å; I679-L697 HydrophobicContact CD1-CD2 3.89Å; I679-N700 HydrophobicContact CB-CB 4.28Å; I679-N700 WeakPolarHBondContact CB-OD1 3.47Å; I679-N700 WeakPolarHBondContact CG1-OD1 3.49Å; I679-N700 PolarHBondContact N-OD1 2.99Å; I679-K701 CarbonylContact O-C 3.2Å; I679-K701 VanDerWaalsContact O-C 3.23Å; I679-K701 WeakPolarHBondContact O-CA 3.47Å; I679-K701 PolarHBondContact O-N 2.91Å; I679-L702 HydrophobicContact CG2-CD2 3.89Å; I679-L702 PolarHBondContact O-N 3.21Å
680I94.5Very high93.1Very high80 Ų8043.1 Ų43.141%0.4123%0.228SC..  trans-96.7-40.8-175.8-52.4174000111.5R655 K678 L702R655-I680 PolarHBondContact O-N 3.28Å; K678-I680 PolarHBondContact O-N 3.08Å; I680-L702 WeakPolarHBondContact O-CA 3.47Å
681T92.6Very high92.9Very high81 Ų8141.9 Ų41.950%0.49722%0.221SC..  trans-140.6152.6-178.758.60000111.3I679I679-T681 WeakPolarHBondContact CG2-O 3.26Å
682I93.1Very high92.8Very high11 Ų1141.2 Ų41.26%0.05622%0.217CC..  trans-102.4122.6170.2-52.9168.8000107.3I657 I686 L697 L702 L705 P706 L709I657-I682 HydrophobicContact CD1-CB 4.41Å; I657-I682 HydrophobicContact CD1-CG1 4.39Å; I657-I682 HydrophobicContact CD1-CG2 4.1Å; I682-I686 HydrophobicContact CG2-CB 3.96Å; I682-I686 HydrophobicContact CG2-CG1 4.34Å; I682-I686 HydrophobicContact CG2-CG2 3.89Å; I682-L697 HydrophobicContact CD1-CD1 3.48Å; I682-L697 VanDerWaalsContact CD1-CD1 3.48Å; I682-L697 HydrophobicContact CG1-CD1 4.16Å; I682-L702 HydrophobicContact CD1-CD1 4.04Å; I682-L702 HydrophobicContact CD1-CD2 4.43Å; I682-L702 HydrophobicContact CG1-CD1 4.29Å; I682-L702 HydrophobicContact CG1-CD2 3.83Å; I682-L705 HydrophobicContact CD1-CD2 3.75Å; I682-P706 HydrophobicContact CB-CG 3.91Å; I682-P706 HydrophobicContact CG2-CG 3.95Å; I682-P706 WeakPolarHBondContact O-CG 3.21Å; I682-L709 HydrophobicContact CD1-CD2 4.46Å
683P91.9Very high92.8Very high31 Ų3143.5 Ų43.520%0.20123%0.227CC..  trans-71.9149.2177.929.3-34.4000111.1I657 I660 S685 I686I657-P683 HydrophobicContact CG1-CG 4.32Å; I657-P683 WeakPolarHBondContact O-CG 3.3Å; I660-P683 HydrophobicContact CB-CG 4.38Å; I660-P683 HydrophobicContact CG2-CG 3.51Å; P683-S685 PolarHBondContact O-N 3.41Å; P683-I686 WeakPolarHBondContact O-CG2 3.34Å; P683-I686 PolarHBondContact O-N 3.47Å; P683-I686 VanDerWaalsContact O-N 3.11Å
684A89.1Confident92.8Very high66 Ų6642.6 Ų42.655%0.54523%0.226SC..G310 helixtrans-58.1-22.7-17900000113.4I686 G687 A708A684-I686 PolarHBondContact O-N 3.36Å; A684-I686 VanDerWaalsContact O-N 3.08Å; A684-G687 PolarHBondContact O-N 2.92Å; A684-A708 HydrophobicContact CB-CB 4.17Å; A684-A708 WeakPolarHBondContact O-CB 3.41Å
685S88.7Confident92.9Very high27 Ų2742.7 Ų42.719%0.18923%0.226CC..G310 helixtrans-61.6-13.2176.8-48.50000114.5I661 P683 G687 H688I661-S685 WeakPolarHBondContact CG1-OG 3.28Å; P683-S685 PolarHBondContact O-N 3.41Å; S685-G687 PolarHBondContact O-N 3.1Å; S685-G687 VanDerWaalsContact O-N 3.16Å; S685-H688 WeakPolarHBondContact O-CB 3.43Å; S685-H688 PolarHBondContact O-N 3.27Å; S685-H688 PolarHBondContact O-ND1 3.1Å
686I90.3Very high92.9Very high2 Ų242 Ų421%0.0123%0.225CC..G310 helixtrans-53.1-32.2171.3-17466.9000112.2I660 I682 P683 A684 H688 V689 P706 A708 L709 L712I660-I686 HydrophobicContact CD1-CB 4.37Å; I660-I686 HydrophobicContact CD1-CD1 3.32Å; I660-I686 HydrophobicContact CD1-CG1 4.38Å; I660-I686 HydrophobicContact CG1-CD1 4.09Å; I682-I686 HydrophobicContact CG2-CB 3.96Å; I682-I686 HydrophobicContact CG2-CG1 4.34Å; I682-I686 HydrophobicContact CG2-CG2 3.89Å; P683-I686 WeakPolarHBondContact O-CG2 3.34Å; P683-I686 PolarHBondContact O-N 3.47Å; P683-I686 VanDerWaalsContact O-N 3.11Å; A684-I686 PolarHBondContact O-N 3.36Å; A684-I686 VanDerWaalsContact O-N 3.08Å; I686-H688 PolarHBondContact O-N 3.48Å; I686-V689 PolarHBondContact O-N 3.19Å; I686-P706 HydrophobicContact CG2-CG 4.25Å; I686-A708 HydrophobicContact CG2-CB 4.49Å; I686-L709 HydrophobicContact CG1-CD1 4.01Å; I686-L709 HydrophobicContact CG2-CB 4.27Å; I686-L709 HydrophobicContact CG2-CD1 4.49Å; I686-L712 HydrophobicContact CG1-CD1 4.36Å
687G86.4Confident92.9Very high12 Ų1237.8 Ų37.812%0.12421%0.206CC..G310 helixtrans-61.7-15.4178.800000114.3A684 S685 V689A684-G687 PolarHBondContact O-N 2.92Å; S685-G687 PolarHBondContact O-N 3.1Å; S685-G687 VanDerWaalsContact O-N 3.16Å; G687-V689 VanDerWaalsContact C-N 3.34Å
688H87Confident92.9Very high109 Ų10937.9 Ų37.951%0.50521%0.207SC..G310 helixtrans-75.6-19.4175.4-60135.8000113.4S685 I686 K690S685-H688 WeakPolarHBondContact O-CB 3.43Å; S685-H688 PolarHBondContact O-N 3.27Å; S685-H688 PolarHBondContact O-ND1 3.1Å; I686-H688 PolarHBondContact O-N 3.48Å; H688-K690 PolarHBondContact O-N 3.23Å
689V89.3Confident93Very high4 Ų437.4 Ų37.42%0.02421%0.206CC..  trans-85.761.7-176.7-163.80000111F663 L669 I686 G687 S691 L692 L712F663-V689 HydrophobicContact CB-CG2 3.55Å; F663-V689 HydrophobicContact CG-CG2 4.48Å; L669-V689 HydrophobicContact CD2-CG1 4.38Å; I686-V689 PolarHBondContact O-N 3.19Å; G687-V689 VanDerWaalsContact C-N 3.34Å; V689-S691 PolarHBondContact O-N 3.18Å; V689-L692 HydrophobicContact CG1-CB 4.29Å; V689-L692 WeakPolarHBondContact O-CB 3.44Å; V689-L692 PolarHBondContact O-N 2.99Å; V689-L692 VanDerWaalsContact O-N 3.12Å; V689-L712 WeakPolarHBondContact O-CD2 3.48Å
690K89.6Confident93Very high142 Ų14238 Ų3862%0.61721%0.209SC*.THydrogen-bonded Turntrans-62.3-14.9-171.3-62.8-179.9-179.7-179.70115.2H688 P713H688-K690 PolarHBondContact O-N 3.23Å; K690-P713 HydrophobicContact CB-CG 4.49Å
691S92.5Very high93.1Very high19 Ų1940.1 Ų40.113%0.13322%0.216CC..THydrogen-bonded Turntrans-80.2-14.6178.552.70000113.8R667 L669 V689 E693R667-S691 WeakPolarHBondContact O-CB 3.42Å; R667-S691 PolarHBondContact O-OG 3.1Å; L669-S691 CarbonylContact O-C 3.5Å; L669-S691 VanDerWaalsContact O-C 3.27Å; L669-S691 VanDerWaalsContact O-CB 3.27Å; L669-S691 WeakPolarHBondContact O-CB 3.37Å; L669-S691 PolarHBondContact O-OG 3.47Å; V689-S691 PolarHBondContact O-N 3.18Å; S691-E693 PolarHBondContact O-N 3.44Å
692L94.7Very high93.3Very high0 Ų036.3 Ų36.30%019%0.192CC..  trans-66.8127.6-171-159.471.1000112.1L669 L672 V689 L695 L712 K714 L715L669-L692 HydrophobicContact CD2-CD1 4.37Å; L669-L692 HydrophobicContact CG-CD1 4.37Å; L669-L692 PolarHBondContact O-N 2.92Å; L672-L692 HydrophobicContact CB-CD1 3.78Å; V689-L692 HydrophobicContact CG1-CB 4.29Å; V689-L692 WeakPolarHBondContact O-CB 3.44Å; V689-L692 PolarHBondContact O-N 2.99Å; V689-L692 VanDerWaalsContact O-N 3.12Å; L692-L695 HydrophobicContact CD2-CB 3.9Å; L692-L695 HydrophobicContact CD2-CD1 4.2Å; L692-L695 HydrophobicContact CD2-CD2 4.41Å; L692-L695 HydrophobicContact CD2-CG 4.39Å; L692-L712 HydrophobicContact CB-CD1 4.5Å; L692-L712 HydrophobicContact CD2-CD1 4.16Å; L692-K714 CarbonylContact O-C 3.45Å; L692-L715 HydrophobicContact CD2-CD1 4.29Å; L692-L715 HydrophobicContact CG-CD1 4.33Å; L692-L715 PolarHBondContact O-N 3.46Å
693E96.4Very high93.3Very high50 Ų5041.7 Ų41.723%0.23422%0.217CC..  trans-109-31.1177-56.5-160.5175.900112.1T670 S691 K714 R716 H717T670-E693 HydrophobicContact CG2-CG 4.35Å; T670-E693 WeakPolarHBondContact O-CA 3.41Å; T670-E693 PolarHBondContact O-N 3.17Å; S691-E693 PolarHBondContact O-N 3.44Å; E693-K714 HydrophobicContact CG-CB 4.24Å; E693-R716 WeakPolarHBondContact O-CA 3.26Å; E693-R716 PolarHBondContact O-N 2.96Å; E693-R716 IonicContact OE2-CZ 3.94Å; E693-R716 IonicContact OE2-NE 3.42Å; E693-R716 IonicContact OE2-NH1 2.95Å; E693-R716 PolarHBondContact OE2-NH1 2.93Å; E693-R716 VanDerWaalsContact OE2-NH1 3.15Å; E693-H717 PolarHBondContact O-N 2.99Å
694S97.3Very high93.4Very high22 Ų2243.6 Ų43.615%0.15423%0.231CC..EExtended strand (participates in β ladder)trans-134.3126.5-179.1-610000111T670 C671 L672 H717T670-S694 PolarHBondContact O-N 2.96Å; C671-S694 WeakPolarHBondContact CA-O 3.38Å; L672-S694 PolarHBondContact N-O 3.31Å; S694-H717 WeakPolarHBondContact CA-O 3.45Å; S694-H717 PolarHBondContact OG-ND1 3.45Å
695L96.6Very high93.6Very high2 Ų241 Ų411%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-127.2121.9175.4-179.760.8000110L672 L692 L697 L709 L715 H717 L718 D719L672-L695 HydrophobicContact CB-CD1 4.02Å; L672-L695 HydrophobicContact CD2-CD1 3.94Å; L672-L695 HydrophobicContact CG-CD1 4.03Å; L672-L695 WeakPolarHBondContact O-CA 3.17Å; L692-L695 HydrophobicContact CD2-CB 3.9Å; L692-L695 HydrophobicContact CD2-CD1 4.2Å; L692-L695 HydrophobicContact CD2-CD2 4.41Å; L692-L695 HydrophobicContact CD2-CG 4.39Å; L695-L697 HydrophobicContact CD1-CD1 4.11Å; L695-L697 HydrophobicContact CD1-CG 4.14Å; L695-L697 HydrophobicContact CD2-CD1 3.74Å; L695-L697 HydrophobicContact CG-CD1 3.86Å; L695-L697 HydrophobicContact CG-CG 4.16Å; L695-L709 HydrophobicContact CD2-CD1 3.47Å; L695-L709 VanDerWaalsContact CD2-CD1 3.47Å; L695-L715 HydrophobicContact CB-CD1 4.08Å; L695-H717 PolarHBondContact N-O 3.39Å; L695-L718 HydrophobicContact CB-CD1 4.14Å; L695-L718 HydrophobicContact CD2-CD1 4Å; L695-L718 HydrophobicContact CG-CD1 4.23Å; L695-L718 WeakPolarHBondContact O-CA 2.97Å; L695-D719 PolarHBondContact O-N 3.17Å
696H97.2Very high93.8Very high40 Ų4041 Ų4119%0.18521%0.207CC..EExtended strand (participates in β ladder)trans-119.8123.7175.9-52.9-101.1000112.2L672 K673 L674 W675 D719L672-H696 PolarHBondContact O-N 2.9Å; K673-H696 HydrophobicContact CG-CB 4.45Å; L674-H696 WeakPolarHBondContact CA-O 3.23Å; L674-H696 PolarHBondContact N-O 3.27Å; W675-H696 HydrophobicContact CE3-CB 3.38Å; W675-H696 AromaticContact CE3-CG 3.79Å; W675-H696 HydrophobicContact CZ3-CB 3.79Å; W675-H696 AromaticContact CZ3-CG 3.67Å; W675-H696 AromaticContact CZ3-ND1 3.89Å; H696-D719 HydrophobicContact CB-CB 4.31Å; H696-D719 IonicContact ND1-OD2 3.67Å
697L96.2Very high93.9Very high1 Ų144.3 Ų44.31%0.00523%0.23CC..  trans-135.523.1-175.4-72.5164.8000111.2L674 I679 I682 L695 N700 L702 D719 V720 N723L674-L697 HydrophobicContact CB-CD2 3.7Å; L674-L697 HydrophobicContact CD1-CD2 4Å; L674-L697 HydrophobicContact CG-CD2 4.49Å; I679-L697 HydrophobicContact CD1-CD2 3.89Å; I682-L697 HydrophobicContact CD1-CD1 3.48Å; I682-L697 VanDerWaalsContact CD1-CD1 3.48Å; I682-L697 HydrophobicContact CG1-CD1 4.16Å; L695-L697 HydrophobicContact CD1-CD1 4.11Å; L695-L697 HydrophobicContact CD1-CG 4.14Å; L695-L697 HydrophobicContact CD2-CD1 3.74Å; L695-L697 HydrophobicContact CG-CD1 3.86Å; L695-L697 HydrophobicContact CG-CG 4.16Å; L697-N700 PolarHBondContact O-ND2 3.36Å; L697-L702 HydrophobicContact CB-CD1 4.05Å; L697-L702 HydrophobicContact CD1-CD1 4.2Å; L697-D719 WeakPolarHBondContact CA-O 3.33Å; L697-D719 PolarHBondContact N-O 3.44Å; L697-V720 HydrophobicContact CB-CG1 4.29Å; L697-N723 PolarHBondContact O-ND2 3.47Å
698S96.4Very high94.1Very high12 Ų1244.6 Ų44.68%0.08423%0.232CC..  trans-63.2152.7179.737.80000112.9W675 H676 N700 D719 A721W675-S698 CarbonylContact C-O 3.59Å; W675-S698 WeakPolarHBondContact CA-O 3.2Å; W675-S698 VanDerWaalsContact CB-O 3.24Å; W675-S698 WeakPolarHBondContact CB-O 3.39Å; W675-S698 VanDerWaalsContact CB-OG 3.26Å; W675-S698 WeakPolarHBondContact CB-OG 3.32Å; H676-S698 PolarHBondContact N-O 3.42Å; S698-N700 PolarHBondContact O-N 3.37Å; S698-N700 PolarHBondContact O-ND2 2.89Å; S698-D719 WeakPolarHBondContact CB-OD1 2.96Å; S698-D719 VanDerWaalsContact CB-OD2 3.29Å; S698-D719 WeakPolarHBondContact CB-OD2 3.38Å; S698-D719 PolarHBondContact OG-OD2 2.82Å; S698-A721 CarbonylContact C-O 3.12Å; S698-A721 WeakPolarHBondContact CA-O 3.23Å
699H96.8Very high94.4Very high74 Ų7439.4 Ų39.434%0.34321%0.208SC..SBendtrans53.255.5-177.5-65.3-85.9000113H676 N677 A721 H722H676-H699 WeakPolarHBondContact CA-O 3.41Å; H676-H699 AromaticContact CE1-CD2 3.24Å; H676-H699 PolarHBondContact CE1-CD2 3.46Å; H676-H699 AromaticContact CE1-CG 3.36Å; H676-H699 AromaticContact CE1-ND1 3.85Å; H676-H699 AromaticContact CE1-NE2 3.68Å; H676-H699 PolarHBondContact N-O 2.92Å; H676-H699 VanDerWaalsContact ND1-CB 3.34Å; H676-H699 WeakPolarHBondContact ND1-CB 3.43Å; H676-H699 AromaticContact ND1-CD2 3.78Å; H676-H699 AromaticContact ND1-CG 3.48Å; H676-H699 AromaticContact NE2-CD2 3.72Å; N677-H699 PolarHBondContact N-O 3.18Å; H699-A721 PolarHBondContact N-O 2.69Å; H699-H722 VanDerWaalsContact CA-O 3.27Å; H699-H722 WeakPolarHBondContact CA-O 3.44Å; H699-H722 HydrophobicContact CB-CB 4.41Å; H699-H722 AromaticContact CE1-CD2 3.54Å; H699-H722 AromaticContact CE1-CE1 3.93Å; H699-H722 AromaticContact CE1-CG 3.32Å; H699-H722 AromaticContact CE1-ND1 3.58Å; H699-H722 AromaticContact CE1-NE2 3.95Å; H699-H722 PolarHBondContact N-O 2.96Å; H699-H722 WeakPolarHBondContact ND1-CB 3.44Å; H699-H722 AromaticContact ND1-CG 3.67Å; H699-H722 AromaticContact NE2-CD2 3.43Å; H699-H722 PolarHBondContact NE2-CD2 2.93Å; H699-H722 AromaticContact NE2-CG 3.67Å; H699-H722 AromaticContact NE2-NE2 3.95Å
700N97.4Very high94.5Very high12 Ų1239.2 Ų39.26%0.06421%0.207CC..SBendtrans-122.2-164.2171.6-84.5-74000109.6L674 N677 K678 I679 L697 S698 L702 H722 N723L674-N700 PolarHBondContact O-ND2 3.45Å; N677-N700 WeakPolarHBondContact CA-OD1 3.29Å; N677-N700 WeakPolarHBondContact CB-OD1 3.45Å; N677-N700 PolarHBondContact O-OD1 3.5Å; K678-N700 PolarHBondContact N-OD1 3.38Å; I679-N700 HydrophobicContact CB-CB 4.28Å; I679-N700 WeakPolarHBondContact CB-OD1 3.47Å; I679-N700 WeakPolarHBondContact CG1-OD1 3.49Å; I679-N700 PolarHBondContact N-OD1 2.99Å; L697-N700 PolarHBondContact O-ND2 3.36Å; S698-N700 PolarHBondContact O-N 3.37Å; S698-N700 PolarHBondContact O-ND2 2.89Å; N700-L702 HydrophobicContact CB-CG 4.29Å; N700-H722 PolarHBondContact N-O 3.38Å; N700-N723 VanDerWaalsContact CA-OD1 3.28Å; N700-N723 WeakPolarHBondContact CA-OD1 3.19Å; N700-N723 WeakPolarHBondContact CB-OD1 3.47Å; N700-N723 PolarHBondContact N-OD1 3.28Å; N700-N723 PolarHBondContact O-OD1 2.91Å
701K96.1Very high94.5Very high126 Ų12636.4 Ų36.455%0.54820%0.201SC..  trans-120.734.3179.7-60.7-172.8177.2-170.20111.6I679 E703 N723I679-K701 CarbonylContact O-C 3.2Å; I679-K701 VanDerWaalsContact O-C 3.23Å; I679-K701 WeakPolarHBondContact O-CA 3.47Å; I679-K701 PolarHBondContact O-N 2.91Å; K701-E703 PolarHBondContact O-N 2.91Å; K701-N723 PolarHBondContact N-OD1 3.35Å
702L96.1Very high94.5Very high0 Ų035.6 Ų35.60%020%0.195CC..  trans-68.4126.7-178-61.8173.7000110.7I679 I680 I682 L697 N700 L705 N723 S724 I725I679-L702 HydrophobicContact CG2-CD2 3.89Å; I679-L702 PolarHBondContact O-N 3.21Å; I680-L702 WeakPolarHBondContact O-CA 3.47Å; I682-L702 HydrophobicContact CD1-CD1 4.04Å; I682-L702 HydrophobicContact CD1-CD2 4.43Å; I682-L702 HydrophobicContact CG1-CD1 4.29Å; I682-L702 HydrophobicContact CG1-CD2 3.83Å; L697-L702 HydrophobicContact CB-CD1 4.05Å; L697-L702 HydrophobicContact CD1-CD1 4.2Å; N700-L702 HydrophobicContact CB-CG 4.29Å; L702-L705 HydrophobicContact CD1-CD2 4.39Å; L702-N723 HydrophobicContact CB-CB 4.09Å; L702-N723 VanDerWaalsContact CB-OD1 3.3Å; L702-N723 WeakPolarHBondContact CB-OD1 3.25Å; L702-N723 WeakPolarHBondContact CG-OD1 3.47Å; L702-N723 PolarHBondContact N-OD1 3.43Å; L702-S724 CarbonylContact O-C 3.51Å; L702-S724 VanDerWaalsContact O-CA 3.3Å; L702-S724 WeakPolarHBondContact O-CA 3.48Å; L702-S724 PolarHBondContact O-N 3.42Å; L702-I725 HydrophobicContact CB-CG1 4.28Å; L702-I725 PolarHBondContact O-N 3.45Å
703E94Very high94.2Very high125 Ų12539.1 Ų39.158%0.58422%0.218SC*.  trans-95.7-28.2175.3-65-178.1177.300112.7K701 I725K701-E703 PolarHBondContact O-N 2.91Å; E703-I725 WeakPolarHBondContact O-CA 3.37Å
704S93.1Very high94.1Very high71 Ų7141.7 Ų41.750%0.49723%0.229SC..  trans-150.7161.3-179.465.40000111.5
705L94.1Very high94.1Very high12 Ų1240.7 Ų40.76%0.06322%0.222CC..  trans-112.7131.4175.8-61176.9000109.9I682 L702 L709 F710 V720 I725 L728I682-L705 HydrophobicContact CD1-CD2 3.75Å; L702-L705 HydrophobicContact CD1-CD2 4.39Å; L705-L709 HydrophobicContact CB-CD2 4.46Å; L705-L709 HydrophobicContact CD1-CD2 4.49Å; L705-L709 HydrophobicContact CD2-CD2 4.24Å; L705-F710 HydrophobicContact CB-CE2 3.99Å; L705-F710 HydrophobicContact CB-CZ 3.92Å; L705-F710 HydrophobicContact CD1-CZ 3.86Å; L705-V720 HydrophobicContact CD1-CG2 4.41Å; L705-V720 HydrophobicContact CD2-CG1 4.07Å; L705-I725 HydrophobicContact CD1-CD1 4.12Å; L705-I725 HydrophobicContact CD2-CD1 4Å; L705-I725 HydrophobicContact CG-CD1 3.98Å; L705-L728 HydrophobicContact CD1-CD1 4.03Å
706P93.4Very high94.1Very high26 Ų2645.4 Ų45.417%0.16924%0.239CC..  trans-72.3143179.631-36.2000111I682 I686 A708 L709 F710I682-P706 HydrophobicContact CB-CG 3.91Å; I682-P706 HydrophobicContact CG2-CG 3.95Å; I682-P706 WeakPolarHBondContact O-CG 3.21Å; I686-P706 HydrophobicContact CG2-CG 4.25Å; P706-A708 PolarHBondContact O-N 3.42Å; P706-A708 VanDerWaalsContact O-N 3.12Å; P706-L709 HydrophobicContact CG-CB 4.22Å; P706-L709 VanDerWaalsContact O-CB 3.29Å; P706-L709 WeakPolarHBondContact O-CB 3.32Å; P706-L709 PolarHBondContact O-N 2.91Å; P706-F710 WeakPolarHBondContact O-CD2 3.44Å; P706-F710 WeakPolarHBondContact O-CE2 3.43Å
707S90.6Very high94.1Very high71 Ų7146.6 Ų46.650%0.49725%0.245SC..G310 helixtrans-53.5-34.8175.254.60000112.4L709 F710 D731S707-L709 PolarHBondContact O-N 2.98Å; S707-F710 PolarHBondContact O-N 3.19Å; S707-D731 WeakPolarHBondContact CB-OD2 3.08Å
708A90.9Very high94.1Very high18 Ų1846.5 Ų46.515%0.14924%0.244CC..G310 helixtrans-58.6-27.7177.600000114.3A684 I686 P706 F710 T711A684-A708 HydrophobicContact CB-CB 4.17Å; A684-A708 WeakPolarHBondContact O-CB 3.41Å; I686-A708 HydrophobicContact CG2-CB 4.49Å; P706-A708 PolarHBondContact O-N 3.42Å; P706-A708 VanDerWaalsContact O-N 3.12Å; A708-F710 PolarHBondContact O-N 3.02Å; A708-T711 PolarHBondContact O-N 2.95Å; A708-T711 PolarHBondContact O-OG1 3.29Å
709L93.2Very high94.2Very high0 Ų047.1 Ų47.10%025%0.247CC..G310 helixtrans-60.7-36.5175.6178.266.3000111.5I682 I686 L695 L705 P706 S707 T711 L712 L718I682-L709 HydrophobicContact CD1-CD2 4.46Å; I686-L709 HydrophobicContact CG1-CD1 4.01Å; I686-L709 HydrophobicContact CG2-CB 4.27Å; I686-L709 HydrophobicContact CG2-CD1 4.49Å; L695-L709 HydrophobicContact CD2-CD1 3.47Å; L695-L709 VanDerWaalsContact CD2-CD1 3.47Å; L705-L709 HydrophobicContact CB-CD2 4.46Å; L705-L709 HydrophobicContact CD1-CD2 4.49Å; L705-L709 HydrophobicContact CD2-CD2 4.24Å; P706-L709 HydrophobicContact CG-CB 4.22Å; P706-L709 VanDerWaalsContact O-CB 3.29Å; P706-L709 WeakPolarHBondContact O-CB 3.32Å; P706-L709 PolarHBondContact O-N 2.91Å; S707-L709 PolarHBondContact O-N 2.98Å; L709-T711 PolarHBondContact O-N 3.38Å; L709-L712 HydrophobicContact CD1-CD1 4.02Å; L709-L712 WeakPolarHBondContact O-CG 3.34Å; L709-L712 PolarHBondContact O-N 3.48Å; L709-L718 HydrophobicContact CD2-CD1 4.24Å; L709-L718 HydrophobicContact CD2-CD2 4.1Å
710F92.1Very high94.2Very high1 Ų143.6 Ų43.60%0.00423%0.23CC..G310 helixtrans-83.4-0.8-176.3-50.7-78.5000113.1L705 P706 S707 A708 L712 L718 L728 P729 D731 V732 L734 L735L705-F710 HydrophobicContact CB-CE2 3.99Å; L705-F710 HydrophobicContact CB-CZ 3.92Å; L705-F710 HydrophobicContact CD1-CZ 3.86Å; P706-F710 WeakPolarHBondContact O-CD2 3.44Å; P706-F710 WeakPolarHBondContact O-CE2 3.43Å; S707-F710 PolarHBondContact O-N 3.19Å; A708-F710 PolarHBondContact O-N 3.02Å; F710-L712 VanDerWaalsContact C-N 3.33Å; F710-L718 HydrophobicContact CE1-CD2 4.39Å; F710-L728 HydrophobicContact CE1-CD1 4.45Å; F710-L728 HydrophobicContact CZ-CD1 4.25Å; F710-P729 HydrophobicContact CD2-CG 3.98Å; F710-P729 HydrophobicContact CE2-CB 4.45Å; F710-P729 HydrophobicContact CE2-CG 3.19Å; F710-P729 HydrophobicContact CZ-CG 3.64Å; F710-D731 HydrophobicContact CB-CB 3.91Å; F710-D731 VanDerWaalsContact CB-O 3.22Å; F710-D731 WeakPolarHBondContact CB-O 3.44Å; F710-D731 HydrophobicContact CD2-CB 4.01Å; F710-D731 HydrophobicContact CG-CB 4.17Å; F710-V732 HydrophobicContact CD1-CB 3.75Å; F710-V732 HydrophobicContact CD1-CG2 3.89Å; F710-V732 HydrophobicContact CE1-CB 3.68Å; F710-V732 HydrophobicContact CE1-CG2 3.7Å; F710-V732 HydrophobicContact CG-CB 4.5Å; F710-V732 HydrophobicContact CZ-CB 4.44Å; F710-L734 WeakPolarHBondContact O-CB 3.43Å; F710-L735 HydrophobicContact CB-CG 4.21Å; F710-L735 HydrophobicContact CD1-CD1 3.64Å; F710-L735 HydrophobicContact CD1-CG 4.19Å; F710-L735 HydrophobicContact CE1-CD1 4.42Å; F710-L735 WeakPolarHBondContact O-CD2 3.44Å
711T89.1Confident94.1Very high82 Ų8243.2 Ų43.250%0.50323%0.229SC..G310 helixtrans-87.7-1.6172.568.60000113.2A708 L709 P713A708-T711 PolarHBondContact O-N 2.95Å; A708-T711 PolarHBondContact O-OG1 3.29Å; L709-T711 PolarHBondContact O-N 3.38Å; T711-P713 VanDerWaalsContact O-CD 3.31Å; T711-P713 WeakPolarHBondContact O-CD 3.31Å
712L92.5Very high94.2Very high2 Ų240.6 Ų40.61%0.0122%0.218CC..  trans-72.6111.3179.4-67.6178.2000111.1I686 V689 L692 L709 F710 K714 L715 L735I686-L712 HydrophobicContact CG1-CD1 4.36Å; V689-L712 WeakPolarHBondContact O-CD2 3.48Å; L692-L712 HydrophobicContact CB-CD1 4.5Å; L692-L712 HydrophobicContact CD2-CD1 4.16Å; L709-L712 HydrophobicContact CD1-CD1 4.02Å; L709-L712 WeakPolarHBondContact O-CG 3.34Å; L709-L712 PolarHBondContact O-N 3.48Å; F710-L712 VanDerWaalsContact C-N 3.33Å; L712-K714 VanDerWaalsContact C-N 3.3Å; L712-K714 PolarHBondContact O-N 3.29Å; L712-L715 HydrophobicContact CB-CB 4.12Å; L712-L715 HydrophobicContact CD1-CD1 4.49Å; L712-L735 VanDerWaalsContact O-CD2 3.25Å; L712-L735 WeakPolarHBondContact O-CD2 3.3Å
713P89.1Confident94.2Very high74 Ų7441.1 Ų41.148%0.48122%0.221SC..THydrogen-bonded Turntrans-73.4-22.1-166.828.7-35.3000113.8K690 T711 N737K690-P713 HydrophobicContact CB-CG 4.49Å; T711-P713 VanDerWaalsContact O-CD 3.31Å; T711-P713 WeakPolarHBondContact O-CD 3.31Å; P713-N737 PolarHBondContact O-ND2 2.89Å
714K94.3Very high94.3Very high105 Ų10537.3 Ų37.346%0.45721%0.208SC..THydrogen-bonded Turntrans-104.3-2-174.2-66-170.7178-172.90114.2L692 E693 L712 R716L692-K714 CarbonylContact O-C 3.45Å; E693-K714 HydrophobicContact CG-CB 4.24Å; L712-K714 VanDerWaalsContact C-N 3.3Å; L712-K714 PolarHBondContact O-N 3.29Å; K714-R716 WeakPolarHBondContact O-CG 3.09Å; K714-R716 PolarHBondContact O-N 2.57Å
715L96.1Very high94.4Very high0 Ų034 Ų340%019%0.185CC..  trans-64.6123.9-174.7-161.570.8000110.6L692 L695 L712 L718 L735 N737 L738L692-L715 HydrophobicContact CD2-CD1 4.29Å; L692-L715 HydrophobicContact CG-CD1 4.33Å; L692-L715 PolarHBondContact O-N 3.46Å; L695-L715 HydrophobicContact CB-CD1 4.08Å; L712-L715 HydrophobicContact CB-CB 4.12Å; L712-L715 HydrophobicContact CD1-CD1 4.49Å; L715-L718 HydrophobicContact CD2-CB 4.21Å; L715-L718 HydrophobicContact CD2-CD1 4.47Å; L715-L718 HydrophobicContact CD2-CD2 4.45Å; L715-L735 HydrophobicContact CB-CD2 4.12Å; L715-L735 HydrophobicContact CD2-CD1 3.97Å; L715-L735 HydrophobicContact CD2-CD2 4.41Å; L715-N737 CarbonylContact O-C 3.57Å; L715-L738 PolarHBondContact O-N 3.42Å
716R96.8Very high94.4Very high102 Ų10236.9 Ų36.939%0.38520%0.203SC..  trans-116.1-34.9-179.2-68.3172.9-175.2175.10.4111.7E693 K714 Q739 H740E693-R716 WeakPolarHBondContact O-CA 3.26Å; E693-R716 PolarHBondContact O-N 2.96Å; E693-R716 IonicContact OE2-CZ 3.94Å; E693-R716 IonicContact OE2-NE 3.42Å; E693-R716 IonicContact OE2-NH1 2.95Å; E693-R716 PolarHBondContact OE2-NH1 2.93Å; E693-R716 VanDerWaalsContact OE2-NH1 3.15Å; K714-R716 WeakPolarHBondContact O-CG 3.09Å; K714-R716 PolarHBondContact O-N 2.57Å; R716-Q739 HydrophobicContact CB-CG 4.47Å; R716-Q739 WeakPolarHBondContact O-CA 3.35Å; R716-Q739 PolarHBondContact O-N 2.96Å; R716-H740 PolarHBondContact O-N 3.42Å
717H97.6Very high94.4Very high64 Ų6440.2 Ų40.230%0.29622%0.223SC..EExtended strand (participates in β ladder)trans-123.9122-179.9-54.882.4000109.6E693 S694 L695 H740E693-H717 PolarHBondContact O-N 2.99Å; S694-H717 WeakPolarHBondContact CA-O 3.45Å; S694-H717 PolarHBondContact OG-ND1 3.45Å; L695-H717 PolarHBondContact N-O 3.39Å; H717-H740 HydrophobicContact CB-CB 4.35Å; H717-H740 WeakPolarHBondContact CD2-CB 3.37Å
718L97.3Very high94.5Very high0 Ų037 Ų370%020%0.2CC..EExtended strand (participates in β ladder)trans-127117.1172.6179.659.4000108.9L695 L709 F710 L715 V720 L738 H740 L741 A742L695-L718 HydrophobicContact CB-CD1 4.14Å; L695-L718 HydrophobicContact CD2-CD1 4Å; L695-L718 HydrophobicContact CG-CD1 4.23Å; L695-L718 WeakPolarHBondContact O-CA 2.97Å; L709-L718 HydrophobicContact CD2-CD1 4.24Å; L709-L718 HydrophobicContact CD2-CD2 4.1Å; F710-L718 HydrophobicContact CE1-CD2 4.39Å; L715-L718 HydrophobicContact CD2-CB 4.21Å; L715-L718 HydrophobicContact CD2-CD1 4.47Å; L715-L718 HydrophobicContact CD2-CD2 4.45Å; L718-V720 HydrophobicContact CD1-CG1 3.94Å; L718-V720 HydrophobicContact CG-CG1 4.29Å; L718-L738 HydrophobicContact CB-CD1 4.07Å; L718-H740 PolarHBondContact N-O 2.87Å; L718-L741 HydrophobicContact CB-CD1 4.01Å; L718-L741 HydrophobicContact CD2-CD1 3.88Å; L718-L741 HydrophobicContact CG-CD1 4.03Å; L718-L741 WeakPolarHBondContact O-CA 3.36Å; L718-A742 PolarHBondContact O-N 3.34Å
719D97.3Very high94.6Very high24 Ų2437.2 Ų37.213%0.12820%0.2CC..EExtended strand (participates in β ladder)trans-117.2114.8174.2174.716.9000109.7L695 H696 L697 S698 A721 A742L695-D719 PolarHBondContact O-N 3.17Å; H696-D719 HydrophobicContact CB-CB 4.31Å; H696-D719 IonicContact ND1-OD2 3.67Å; L697-D719 WeakPolarHBondContact CA-O 3.33Å; L697-D719 PolarHBondContact N-O 3.44Å; S698-D719 WeakPolarHBondContact CB-OD1 2.96Å; S698-D719 VanDerWaalsContact CB-OD2 3.29Å; S698-D719 WeakPolarHBondContact CB-OD2 3.38Å; S698-D719 PolarHBondContact OG-OD2 2.82Å; D719-A721 VanDerWaalsContact OD1-CB 3.25Å; D719-A721 WeakPolarHBondContact OD1-CB 3.31Å; D719-A721 PolarHBondContact OD1-N 3.28Å; D719-A742 HydrophobicContact CB-CB 4.37Å
720V96.6Very high94.5Very high0 Ų041 Ų410%022%0.224CC..  trans-12827.5175.6-66.40000110.5L697 L705 L718 N723 I725 A742 I743 N746L697-V720 HydrophobicContact CB-CG1 4.29Å; L705-V720 HydrophobicContact CD1-CG2 4.41Å; L705-V720 HydrophobicContact CD2-CG1 4.07Å; L718-V720 HydrophobicContact CD1-CG1 3.94Å; L718-V720 HydrophobicContact CG-CG1 4.29Å; V720-N723 PolarHBondContact O-ND2 3.39Å; V720-I725 HydrophobicContact CB-CD1 3.85Å; V720-I725 HydrophobicContact CG2-CD1 3.84Å; V720-A742 VanDerWaalsContact CG2-O 3.29Å; V720-A742 WeakPolarHBondContact CG2-O 3.3Å; V720-A742 PolarHBondContact N-O 2.97Å; V720-I743 HydrophobicContact CG2-CB 4.24Å; V720-I743 HydrophobicContact CG2-CG1 3.73Å; V720-I743 HydrophobicContact CG2-CG2 4.18Å; V720-N746 PolarHBondContact O-ND2 3.27Å
721A96.4Very high94.5Very high4 Ų443.7 Ų43.73%0.03324%0.239CC..  trans-61.2155.9179.200000112.7S698 H699 D719 N723 A742 N744S698-A721 CarbonylContact C-O 3.12Å; S698-A721 WeakPolarHBondContact CA-O 3.23Å; H699-A721 PolarHBondContact N-O 2.69Å; D719-A721 VanDerWaalsContact OD1-CB 3.25Å; D719-A721 WeakPolarHBondContact OD1-CB 3.31Å; D719-A721 PolarHBondContact OD1-N 3.28Å; A721-N723 PolarHBondContact O-N 2.74Å; A721-N723 PolarHBondContact O-ND2 3.07Å; A721-N723 VanDerWaalsContact O-ND2 3.1Å; A721-A742 PolarHBondContact N-O 2.88Å; A721-N744 CarbonylContact C-O 3.31Å; A721-N744 WeakPolarHBondContact CA-O 3.27Å; A721-N744 WeakPolarHBondContact CB-OD1 3.34Å
722H96.7Very high94.6Very high72 Ų7239.8 Ų39.833%0.33322%0.215SC..SBendtrans5355.4177.6-63.8-89000112.8H699 N700 N744 S745H699-H722 VanDerWaalsContact CA-O 3.27Å; H699-H722 WeakPolarHBondContact CA-O 3.44Å; H699-H722 HydrophobicContact CB-CB 4.41Å; H699-H722 AromaticContact CE1-CD2 3.54Å; H699-H722 AromaticContact CE1-CE1 3.93Å; H699-H722 AromaticContact CE1-CG 3.32Å; H699-H722 AromaticContact CE1-ND1 3.58Å; H699-H722 AromaticContact CE1-NE2 3.95Å; H699-H722 PolarHBondContact N-O 2.96Å; H699-H722 WeakPolarHBondContact ND1-CB 3.44Å; H699-H722 AromaticContact ND1-CG 3.67Å; H699-H722 AromaticContact NE2-CD2 3.43Å; H699-H722 PolarHBondContact NE2-CD2 2.93Å; H699-H722 AromaticContact NE2-CG 3.67Å; H699-H722 AromaticContact NE2-NE2 3.95Å; N700-H722 PolarHBondContact N-O 3.38Å; H722-N744 PolarHBondContact N-O 3.28Å; H722-S745 VanDerWaalsContact CA-O 3.26Å; H722-S745 WeakPolarHBondContact CA-O 3.26Å; H722-S745 PolarHBondContact CE1-OG 3.15Å; H722-S745 PolarHBondContact N-O 3.3Å; H722-S745 VanDerWaalsContact ND1-CB 3.34Å; H722-S745 WeakPolarHBondContact ND1-CB 3.35Å; H722-S745 PolarHBondContact ND1-OG 3.08Å; H722-S745 PolarHBondContact NE2-OG 2.88Å
723N97.3Very high94.4Very high11 Ų1140 Ų406%0.05922%0.218CC..SBendtrans-125.3-163.1174.1-83.3-77.9000109.4L697 N700 K701 L702 V720 A721 I725 S745 N746L697-N723 PolarHBondContact O-ND2 3.47Å; N700-N723 VanDerWaalsContact CA-OD1 3.28Å; N700-N723 WeakPolarHBondContact CA-OD1 3.19Å; N700-N723 WeakPolarHBondContact CB-OD1 3.47Å; N700-N723 PolarHBondContact N-OD1 3.28Å; N700-N723 PolarHBondContact O-OD1 2.91Å; K701-N723 PolarHBondContact N-OD1 3.35Å; L702-N723 HydrophobicContact CB-CB 4.09Å; L702-N723 VanDerWaalsContact CB-OD1 3.3Å; L702-N723 WeakPolarHBondContact CB-OD1 3.25Å; L702-N723 WeakPolarHBondContact CG-OD1 3.47Å; L702-N723 PolarHBondContact N-OD1 3.43Å; V720-N723 PolarHBondContact O-ND2 3.39Å; A721-N723 PolarHBondContact O-N 2.74Å; A721-N723 PolarHBondContact O-ND2 3.07Å; A721-N723 VanDerWaalsContact O-ND2 3.1Å; N723-I725 HydrophobicContact CB-CD1 4.21Å; N723-I725 HydrophobicContact CB-CG1 4.12Å; N723-S745 PolarHBondContact N-O 3.38Å; N723-N746 VanDerWaalsContact CA-OD1 3.31Å; N723-N746 WeakPolarHBondContact CA-OD1 3.37Å; N723-N746 WeakPolarHBondContact CB-OD1 3.34Å; N723-N746 PolarHBondContact N-OD1 3.35Å; N723-N746 PolarHBondContact O-OD1 3.29Å
724S95.9Very high94.5Very high45 Ų4541.3 Ų41.332%0.31522%0.22SC..  trans-121.933.7176.8-69.30000111.9L702 T726 N746L702-S724 CarbonylContact O-C 3.51Å; L702-S724 VanDerWaalsContact O-CA 3.3Å; L702-S724 WeakPolarHBondContact O-CA 3.48Å; L702-S724 PolarHBondContact O-N 3.42Å; S724-T726 PolarHBondContact O-N 3.33Å; S724-N746 PolarHBondContact N-OD1 2.94Å
725I95.9Very high94.4Very high0 Ų036.4 Ų36.40%020%0.199CC..  trans-70.8125.3-177.6-58.8166.2000109.4L702 E703 L705 V720 N723 N746 K747 V748L702-I725 HydrophobicContact CB-CG1 4.28Å; L702-I725 PolarHBondContact O-N 3.45Å; E703-I725 WeakPolarHBondContact O-CA 3.37Å; L705-I725 HydrophobicContact CD1-CD1 4.12Å; L705-I725 HydrophobicContact CD2-CD1 4Å; L705-I725 HydrophobicContact CG-CD1 3.98Å; V720-I725 HydrophobicContact CB-CD1 3.85Å; V720-I725 HydrophobicContact CG2-CD1 3.84Å; N723-I725 HydrophobicContact CB-CD1 4.21Å; N723-I725 HydrophobicContact CB-CG1 4.12Å; I725-N746 HydrophobicContact CB-CB 4.41Å; I725-N746 WeakPolarHBondContact CB-OD1 3.42Å; I725-N746 WeakPolarHBondContact CG1-OD1 3.49Å; I725-N746 PolarHBondContact N-OD1 2.89Å; I725-K747 CarbonylContact O-C 3.27Å; I725-K747 VanDerWaalsContact O-C 3.28Å; I725-K747 WeakPolarHBondContact O-CA 3.28Å; I725-K747 PolarHBondContact O-N 3.22Å; I725-V748 HydrophobicContact CG2-CG2 4.33Å; I725-V748 PolarHBondContact O-N 2.67Å
726T93.6Very high94Very high74 Ų7441.2 Ų41.245%0.45423%0.225SC..  trans-96.3-33.5179.6540000113.2S724 K747 V748S724-T726 PolarHBondContact O-N 3.33Å; T726-K747 HydrophobicContact CG2-CB 4.28Å; T726-V748 WeakPolarHBondContact O-CA 3.2Å
727V92.6Very high93.9Very high95 Ų9538.9 Ų38.958%0.57622%0.22SC*.  trans-136.3132.4-177.3-177.80000110.1
728L93.8Very high93.8Very high4 Ų435.9 Ų35.92%0.02121%0.206CC..  trans-88.9119.4167.3-173.269.1000108.7L705 F710 V732 I743 P752 L755L705-L728 HydrophobicContact CD1-CD1 4.03Å; F710-L728 HydrophobicContact CE1-CD1 4.45Å; F710-L728 HydrophobicContact CZ-CD1 4.25Å; L728-V732 HydrophobicContact CD1-CG2 4.5Å; L728-V732 HydrophobicContact CD2-CB 4.36Å; L728-V732 HydrophobicContact CD2-CG1 3.95Å; L728-V732 HydrophobicContact CD2-CG2 4.26Å; L728-V732 HydrophobicContact CG-CB 4.3Å; L728-V732 HydrophobicContact CG-CG1 4.13Å; L728-I743 HydrophobicContact CD1-CD1 3.81Å; L728-I743 HydrophobicContact CD2-CD1 3.76Å; L728-I743 HydrophobicContact CG-CD1 4.36Å; L728-P752 HydrophobicContact CB-CG 4.28Å; L728-P752 HydrophobicContact CD2-CG 4.14Å; L728-P752 HydrophobicContact CG-CG 4.21Å; L728-P752 WeakPolarHBondContact O-CG 3.42Å; L728-L755 HydrophobicContact CD2-CD1 4.36Å; L728-L755 HydrophobicContact CD2-CD2 4.1Å
729P92.1Very high93.8Very high23 Ų2338.2 Ų38.215%0.14922%0.217CC..  trans-67.3151.7-176.526.1-34.7000112.2F710 D731 V732F710-P729 HydrophobicContact CD2-CG 3.98Å; F710-P729 HydrophobicContact CE2-CB 4.45Å; F710-P729 HydrophobicContact CE2-CG 3.19Å; F710-P729 HydrophobicContact CZ-CG 3.64Å; P729-D731 PolarHBondContact O-N 3.09Å; P729-D731 VanDerWaalsContact O-N 3.13Å; P729-V732 WeakPolarHBondContact O-CG1 3.15Å; P729-V732 PolarHBondContact O-N 3.17Å
730P90.8Very high93.8Very high78 Ų7839.8 Ų39.851%0.50622%0.223SC..G310 helixtrans-63.4-20.6-178.226.9-35.1000113.3V732 G733 P752 P754P730-V732 PolarHBondContact O-N 3.19Å; P730-V732 VanDerWaalsContact O-N 3.11Å; P730-G733 PolarHBondContact O-N 2.8Å; P730-P752 HydrophobicContact CB-CB 4.46Å; P730-P754 HydrophobicContact CB-CG 4.07Å; P730-P754 WeakPolarHBondContact O-CB 3Å
731D92.8Very high93.8Very high58 Ų5839.8 Ų39.831%0.3122%0.224SC..G310 helixtrans-61.9-16.1177.6-60.2-48.3000113.3S707 F710 P729 G733 L734S707-D731 WeakPolarHBondContact CB-OD2 3.08Å; F710-D731 HydrophobicContact CB-CB 3.91Å; F710-D731 VanDerWaalsContact CB-O 3.22Å; F710-D731 WeakPolarHBondContact CB-O 3.44Å; F710-D731 HydrophobicContact CD2-CB 4.01Å; F710-D731 HydrophobicContact CG-CB 4.17Å; P729-D731 PolarHBondContact O-N 3.09Å; P729-D731 VanDerWaalsContact O-N 3.13Å; D731-G733 PolarHBondContact O-N 2.78Å; D731-L734 HydrophobicContact CB-CD1 4.08Å; D731-L734 WeakPolarHBondContact O-CB 3.32Å; D731-L734 VanDerWaalsContact O-CG 3.31Å; D731-L734 WeakPolarHBondContact O-CG 3.33Å; D731-L734 PolarHBondContact O-N 2.94Å
732V91.5Very high93.9Very high0 Ų039.9 Ų39.90%022%0.224CC..G310 helixtrans-53.8-29.6174.969.70000113.5F710 L728 P729 P730 L734 L735 L741 P752 L755 C758F710-V732 HydrophobicContact CD1-CB 3.75Å; F710-V732 HydrophobicContact CD1-CG2 3.89Å; F710-V732 HydrophobicContact CE1-CB 3.68Å; F710-V732 HydrophobicContact CE1-CG2 3.7Å; F710-V732 HydrophobicContact CG-CB 4.5Å; F710-V732 HydrophobicContact CZ-CB 4.44Å; L728-V732 HydrophobicContact CD1-CG2 4.5Å; L728-V732 HydrophobicContact CD2-CB 4.36Å; L728-V732 HydrophobicContact CD2-CG1 3.95Å; L728-V732 HydrophobicContact CD2-CG2 4.26Å; L728-V732 HydrophobicContact CG-CB 4.3Å; L728-V732 HydrophobicContact CG-CG1 4.13Å; P729-V732 WeakPolarHBondContact O-CG1 3.15Å; P729-V732 PolarHBondContact O-N 3.17Å; P730-V732 PolarHBondContact O-N 3.19Å; P730-V732 VanDerWaalsContact O-N 3.11Å; V732-L734 PolarHBondContact O-N 3.13Å; V732-L734 VanDerWaalsContact O-N 3.17Å; V732-L735 PolarHBondContact O-N 2.98Å; V732-L741 HydrophobicContact CG2-CD2 4.47Å; V732-P752 HydrophobicContact CG1-CG 3.8Å; V732-L755 HydrophobicContact CB-CD1 4.45Å; V732-L755 HydrophobicContact CG1-CB 3.81Å; V732-L755 HydrophobicContact CG1-CD1 3.92Å; V732-L755 HydrophobicContact CG1-CG 4.45Å; V732-L755 HydrophobicContact CG2-CD1 3.65Å; V732-C758 PolarHBondContact O-SG 2.96Å; V732-C758 VanDerWaalsContact O-SG 3.41Å
733G87.9Confident93.8Very high7 Ų736.5 Ų36.57%0.07221%0.209CC..G310 helixtrans-67.2-8.5175.200000115.3P730 D731 L735 P754P730-G733 PolarHBondContact O-N 2.8Å; D731-G733 PolarHBondContact O-N 2.78Å; G733-L735 VanDerWaalsContact C-N 3.33Å; G733-P754 WeakPolarHBondContact CA-O 3.38Å
734L91.3Very high93.7Very high101 Ų10137.4 Ų37.453%0.52921%0.213SC..G310 helixtrans-77.6-19.7174.4-62.6172.5000112.3F710 D731 V732 N736F710-L734 WeakPolarHBondContact O-CB 3.43Å; D731-L734 HydrophobicContact CB-CD1 4.08Å; D731-L734 WeakPolarHBondContact O-CB 3.32Å; D731-L734 VanDerWaalsContact O-CG 3.31Å; D731-L734 WeakPolarHBondContact O-CG 3.33Å; D731-L734 PolarHBondContact O-N 2.94Å; V732-L734 PolarHBondContact O-N 3.13Å; V732-L734 VanDerWaalsContact O-N 3.17Å; L734-N736 VanDerWaalsContact C-N 3.29Å; L734-N736 PolarHBondContact O-N 2.94Å
735L92.5Very high93.7Very high3 Ų336.6 Ų36.62%0.01621%0.208CC..  trans-79.371.9-178.6-65.1179.1000111.9F710 L712 L715 V732 G733 N737 L738 C758F710-L735 HydrophobicContact CB-CG 4.21Å; F710-L735 HydrophobicContact CD1-CD1 3.64Å; F710-L735 HydrophobicContact CD1-CG 4.19Å; F710-L735 HydrophobicContact CE1-CD1 4.42Å; F710-L735 WeakPolarHBondContact O-CD2 3.44Å; L712-L735 VanDerWaalsContact O-CD2 3.25Å; L712-L735 WeakPolarHBondContact O-CD2 3.3Å; L715-L735 HydrophobicContact CB-CD2 4.12Å; L715-L735 HydrophobicContact CD2-CD1 3.97Å; L715-L735 HydrophobicContact CD2-CD2 4.41Å; V732-L735 PolarHBondContact O-N 2.98Å; G733-L735 VanDerWaalsContact C-N 3.33Å; L735-N737 PolarHBondContact O-N 2.97Å; L735-L738 HydrophobicContact CB-CB 4.02Å; L735-L738 HydrophobicContact CB-CD2 4.47Å; L735-L738 HydrophobicContact CD1-CD1 4.31Å; L735-L738 HydrophobicContact CD1-CD2 4.21Å; L735-L738 WeakPolarHBondContact O-CB 3.4Å; L735-L738 PolarHBondContact O-N 3.21Å; L735-L738 VanDerWaalsContact O-N 3.15Å; L735-C758 PolarHBondContact O-SG 2.93Å
736N87.9Confident93.8Very high100 Ų10037.2 Ų37.254%0.53521%0.211SC..THydrogen-bonded Turntrans-63.2-16.4-177.2-64.2-36.6000114.6L734L734-N736 VanDerWaalsContact C-N 3.29Å; L734-N736 PolarHBondContact O-N 2.94Å
737N94.1Very high93.8Very high54 Ų5439.6 Ų39.629%0.28922%0.215SC..THydrogen-bonded Turntrans-101.20.6-179.5-71.8-42.9000114.1P713 L715 L735 Q739 K760P713-N737 PolarHBondContact O-ND2 2.89Å; L715-N737 CarbonylContact O-C 3.57Å; L735-N737 PolarHBondContact O-N 2.97Å; N737-Q739 PolarHBondContact O-N 3.21Å; N737-K760 PolarHBondContact OD1-NZ 2.64Å
738L96.1Very high94Very high0 Ų035.2 Ų35.20%019%0.188CC..  trans-64128.5-178-163.465.9000110.8L715 L718 L735 L741 K760 L761L715-L738 PolarHBondContact O-N 3.42Å; L718-L738 HydrophobicContact CB-CD1 4.07Å; L735-L738 HydrophobicContact CB-CB 4.02Å; L735-L738 HydrophobicContact CB-CD2 4.47Å; L735-L738 HydrophobicContact CD1-CD1 4.31Å; L735-L738 HydrophobicContact CD1-CD2 4.21Å; L735-L738 WeakPolarHBondContact O-CB 3.4Å; L735-L738 PolarHBondContact O-N 3.21Å; L735-L738 VanDerWaalsContact O-N 3.15Å; L738-L741 HydrophobicContact CD2-CB 4.03Å; L738-L741 HydrophobicContact CD2-CD1 4.36Å; L738-L741 HydrophobicContact CD2-CD2 4.14Å; L738-L741 HydrophobicContact CD2-CG 4.41Å; L738-K760 CarbonylContact O-C 3.5Å; L738-L761 HydrophobicContact CB-CD1 4.3Å; L738-L761 HydrophobicContact CD2-CD1 3.99Å; L738-L761 HydrophobicContact CG-CD1 3.82Å; L738-L761 WeakPolarHBondContact O-CA 3.4Å; L738-L761 PolarHBondContact O-N 2.92Å
739Q96.5Very high94Very high50 Ų5041.5 Ų41.523%0.23422%0.218CC..  trans-115.3-34179.7-61-174.125.800111.7R716 N737 K762 V763R716-Q739 HydrophobicContact CB-CG 4.47Å; R716-Q739 WeakPolarHBondContact O-CA 3.35Å; R716-Q739 PolarHBondContact O-N 2.96Å; N737-Q739 PolarHBondContact O-N 3.21Å; Q739-K762 WeakPolarHBondContact O-CA 3.35Å; Q739-K762 PolarHBondContact O-N 3.49Å; Q739-V763 PolarHBondContact O-N 3.02Å
740H97.5Very high94Very high56 Ų5643.4 Ų43.426%0.25924%0.235SC..EExtended strand (participates in β ladder)trans-131.2123-178.7-171.9-74.7000110R716 H717 L718 V763R716-H740 PolarHBondContact O-N 3.42Å; H717-H740 HydrophobicContact CB-CB 4.35Å; H717-H740 WeakPolarHBondContact CD2-CB 3.37Å; L718-H740 PolarHBondContact N-O 2.87Å; H740-V763 WeakPolarHBondContact CA-O 3.17Å; H740-V763 VanDerWaalsContact CD2-CB 3.41Å; H740-V763 WeakPolarHBondContact CD2-CB 3.29Å
741L97.2Very high94.2Very high1 Ų140.3 Ų40.31%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-128.8114.7175-178.858.9000109.6L718 V732 L738 I743 L755 L761 V763 L764 C765L718-L741 HydrophobicContact CB-CD1 4.01Å; L718-L741 HydrophobicContact CD2-CD1 3.88Å; L718-L741 HydrophobicContact CG-CD1 4.03Å; L718-L741 WeakPolarHBondContact O-CA 3.36Å; V732-L741 HydrophobicContact CG2-CD2 4.47Å; L738-L741 HydrophobicContact CD2-CB 4.03Å; L738-L741 HydrophobicContact CD2-CD1 4.36Å; L738-L741 HydrophobicContact CD2-CD2 4.14Å; L738-L741 HydrophobicContact CD2-CG 4.41Å; L741-I743 HydrophobicContact CD1-CD1 3.88Å; L741-I743 HydrophobicContact CD1-CG1 3.86Å; L741-I743 HydrophobicContact CD2-CD1 3.77Å; L741-I743 HydrophobicContact CD2-CG1 4.5Å; L741-I743 HydrophobicContact CG-CD1 3.77Å; L741-I743 HydrophobicContact CG-CG1 3.95Å; L741-L755 HydrophobicContact CD2-CD1 3.55Å; L741-L761 HydrophobicContact CB-CD1 3.96Å; L741-V763 PolarHBondContact N-O 3.41Å; L741-L764 HydrophobicContact CB-CD1 4.13Å; L741-L764 HydrophobicContact CD2-CD1 4Å; L741-L764 HydrophobicContact CG-CD1 4.19Å; L741-L764 WeakPolarHBondContact O-CA 3.2Å; L741-C765 PolarHBondContact O-N 3.35Å
742A97.1Very high94.2Very high5 Ų538.6 Ų38.64%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-113.2117.7173.900000110.5L718 D719 V720 A721 C765L718-A742 PolarHBondContact O-N 3.34Å; D719-A742 HydrophobicContact CB-CB 4.37Å; V720-A742 VanDerWaalsContact CG2-O 3.29Å; V720-A742 WeakPolarHBondContact CG2-O 3.3Å; V720-A742 PolarHBondContact N-O 2.97Å; A721-A742 PolarHBondContact N-O 2.88Å; A742-C765 HydrophobicContact CB-CB 4.07Å
743I95.8Very high94.2Very high2 Ų245.9 Ų45.91%0.0124%0.238CC..  trans-13021.2176.6-46.6164.6000109.1V720 L728 L741 N746 V748 C765 L766 N769V720-I743 HydrophobicContact CG2-CB 4.24Å; V720-I743 HydrophobicContact CG2-CG1 3.73Å; V720-I743 HydrophobicContact CG2-CG2 4.18Å; L728-I743 HydrophobicContact CD1-CD1 3.81Å; L728-I743 HydrophobicContact CD2-CD1 3.76Å; L728-I743 HydrophobicContact CG-CD1 4.36Å; L741-I743 HydrophobicContact CD1-CD1 3.88Å; L741-I743 HydrophobicContact CD1-CG1 3.86Å; L741-I743 HydrophobicContact CD2-CD1 3.77Å; L741-I743 HydrophobicContact CD2-CG1 4.5Å; L741-I743 HydrophobicContact CG-CD1 3.77Å; L741-I743 HydrophobicContact CG-CG1 3.95Å; I743-N746 HydrophobicContact CG2-CB 4.17Å; I743-N746 PolarHBondContact O-ND2 2.92Å; I743-N746 VanDerWaalsContact O-ND2 3.08Å; I743-V748 HydrophobicContact CG2-CG2 4.02Å; I743-C765 CarbonylContact C-O 3.56Å; I743-C765 PolarHBondContact N-O 3.44Å; I743-L766 HydrophobicContact CB-CD2 4.45Å; I743-L766 HydrophobicContact CD1-CD2 4.47Å; I743-N769 PolarHBondContact O-ND2 3.09Å
744N95.2Very high94.4Very high29 Ų2947.2 Ų47.216%0.15525%0.245CC..  trans-64.2153179.254.8-56.7000112A721 H722 N746 C765 G767A721-N744 CarbonylContact C-O 3.31Å; A721-N744 WeakPolarHBondContact CA-O 3.27Å; A721-N744 WeakPolarHBondContact CB-OD1 3.34Å; H722-N744 PolarHBondContact N-O 3.28Å; N744-N746 PolarHBondContact O-ND2 3.37Å; N744-C765 HydrophobicContact CB-CB 4.49Å; N744-C765 PolarHBondContact N-O 2.87Å; N744-G767 CarbonylContact C-O 3.25Å; N744-G767 WeakPolarHBondContact CA-O 3.34Å; N744-G767 VanDerWaalsContact CB-O 3.32Å; N744-G767 WeakPolarHBondContact CB-O 3.26Å
745S96.2Very high94.5Very high29 Ų2942.4 Ų42.420%0.20322%0.22CC..SBendtrans57.153.8-178-54.50000112.6H722 N723 G767 H768H722-S745 VanDerWaalsContact CA-O 3.26Å; H722-S745 WeakPolarHBondContact CA-O 3.26Å; H722-S745 PolarHBondContact CE1-OG 3.15Å; H722-S745 PolarHBondContact N-O 3.3Å; H722-S745 VanDerWaalsContact ND1-CB 3.34Å; H722-S745 WeakPolarHBondContact ND1-CB 3.35Å; H722-S745 PolarHBondContact ND1-OG 3.08Å; H722-S745 PolarHBondContact NE2-OG 2.88Å; N723-S745 PolarHBondContact N-O 3.38Å; S745-G767 PolarHBondContact N-O 3.24Å; S745-H768 CarbonylContact C-O 3.58Å; S745-H768 WeakPolarHBondContact CA-O 3.4Å; S745-H768 PolarHBondContact N-O 3.28Å
746N96.7Very high94.4Very high12 Ų1242.2 Ų42.26%0.06422%0.219CC..SBendtrans-128.1-165.7174.3-84.4-79.4000109.5V720 N723 S724 I725 I743 N744 V748 H768 N769V720-N746 PolarHBondContact O-ND2 3.27Å; N723-N746 VanDerWaalsContact CA-OD1 3.31Å; N723-N746 WeakPolarHBondContact CA-OD1 3.37Å; N723-N746 WeakPolarHBondContact CB-OD1 3.34Å; N723-N746 PolarHBondContact N-OD1 3.35Å; N723-N746 PolarHBondContact O-OD1 3.29Å; S724-N746 PolarHBondContact N-OD1 2.94Å; I725-N746 HydrophobicContact CB-CB 4.41Å; I725-N746 WeakPolarHBondContact CB-OD1 3.42Å; I725-N746 WeakPolarHBondContact CG1-OD1 3.49Å; I725-N746 PolarHBondContact N-OD1 2.89Å; I743-N746 HydrophobicContact CG2-CB 4.17Å; I743-N746 PolarHBondContact O-ND2 2.92Å; I743-N746 VanDerWaalsContact O-ND2 3.08Å; N744-N746 PolarHBondContact O-ND2 3.37Å; N746-V748 HydrophobicContact CB-CG2 4.24Å; N746-H768 PolarHBondContact N-O 2.87Å; N746-H768 VanDerWaalsContact N-O 3.16Å; N746-N769 WeakPolarHBondContact CA-OD1 3.33Å; N746-N769 WeakPolarHBondContact CB-OD1 3.46Å; N746-N769 PolarHBondContact N-OD1 2.99Å; N746-N769 PolarHBondContact O-OD1 3.32Å
747K95.1Very high94.6Very high125 Ų12545.5 Ų45.554%0.54322%0.224SC..  trans-119.933.4-178.9-61.1178.9-178174.50111.7I725 T726 E749 N769I725-K747 CarbonylContact O-C 3.27Å; I725-K747 VanDerWaalsContact O-C 3.28Å; I725-K747 WeakPolarHBondContact O-CA 3.28Å; I725-K747 PolarHBondContact O-N 3.22Å; T726-K747 HydrophobicContact CG2-CB 4.28Å; K747-E749 PolarHBondContact O-N 3.24Å; K747-N769 PolarHBondContact N-OD1 3.47Å
748V95.6Very high94.5Very high2 Ų243 Ų431%0.01221%0.21CC..  trans-76122.6-175.3-1770000110.4I725 T726 I743 N746 A750 L751 N769 A770 L771I725-V748 HydrophobicContact CG2-CG2 4.33Å; I725-V748 PolarHBondContact O-N 2.67Å; T726-V748 WeakPolarHBondContact O-CA 3.2Å; I743-V748 HydrophobicContact CG2-CG2 4.02Å; N746-V748 HydrophobicContact CB-CG2 4.24Å; V748-A750 WeakPolarHBondContact CG1-O 2.79Å; V748-L751 HydrophobicContact CG1-CD2 4.34Å; V748-N769 WeakPolarHBondContact CB-OD1 3.34Å; V748-N769 PolarHBondContact N-OD1 2.86Å; V748-A770 CarbonylContact O-C 3.35Å; V748-A770 VanDerWaalsContact O-C 3.25Å; V748-A770 WeakPolarHBondContact O-CA 3.37Å; V748-A770 PolarHBondContact O-N 3.28Å; V748-L771 HydrophobicContact CG1-CD2 4.02Å; V748-L771 PolarHBondContact O-N 2.88Å
749E93.7Very high94.2Very high137 Ų13746.5 Ų46.564%0.6423%0.232SC*.  trans-89.5-33.1-179.6-66.5-178.4-178.300113.6K747 A770 L771 T772K747-E749 PolarHBondContact O-N 3.24Å; E749-A770 HydrophobicContact CG-CB 4.25Å; E749-L771 WeakPolarHBondContact O-CA 3.27Å; E749-T772 PolarHBondContact O-N 3.05Å
750A92.9Very high94.1Very high62 Ų6248.9 Ų48.951%0.51224%0.242SC..  trans-147.7147.2-179.300000111.9V748V748-A750 WeakPolarHBondContact CG1-O 2.79Å
751L93.9Very high94Very high13 Ų1346.2 Ų46.27%0.06823%0.229CC..  trans-94134.8174.9-61.5173.6000111V748 K753 L755 F756 L766 L771 L774V748-L751 HydrophobicContact CG1-CD2 4.34Å; L751-K753 PolarHBondContact O-N 3.49Å; L751-L755 HydrophobicContact CB-CD2 4.46Å; L751-L755 HydrophobicContact CD1-CD2 4.41Å; L751-L755 HydrophobicContact CD2-CD2 4.22Å; L751-F756 HydrophobicContact CB-CE2 4.46Å; L751-F756 HydrophobicContact CB-CZ 4.45Å; L751-F756 HydrophobicContact CD1-CZ 4.14Å; L751-L766 HydrophobicContact CD1-CD1 3.57Å; L751-L766 HydrophobicContact CD1-CD2 4.43Å; L751-L766 HydrophobicContact CD2-CD2 3.86Å; L751-L771 HydrophobicContact CD1-CD1 4.21Å; L751-L771 HydrophobicContact CD2-CD2 4.17Å; L751-L771 HydrophobicContact CG-CD1 4.28Å; L751-L771 HydrophobicContact CG-CD2 3.85Å; L751-L774 HydrophobicContact CD1-CD1 3.96Å
752P93.5Very high93.9Very high22 Ų2250.3 Ų50.314%0.14325%0.247CC..  trans-69.3131176.530.2-36.1000110.4L728 P730 V732 P754 L755L728-P752 HydrophobicContact CB-CG 4.28Å; L728-P752 HydrophobicContact CD2-CG 4.14Å; L728-P752 HydrophobicContact CG-CG 4.21Å; L728-P752 WeakPolarHBondContact O-CG 3.42Å; P730-P752 HydrophobicContact CB-CB 4.46Å; V732-P752 HydrophobicContact CG1-CG 3.8Å; P752-P754 VanDerWaalsContact O-N 3.13Å; P752-L755 HydrophobicContact CG-CB 4.34Å; P752-L755 VanDerWaalsContact O-CB 3.25Å; P752-L755 WeakPolarHBondContact O-CB 3.19Å; P752-L755 PolarHBondContact O-N 3.44Å
753K90.8Very high93.9Very high154 Ų15451 Ų5167%0.6725%0.251SS*.G310 helixtrans-49-37.1175.1-64.3-179.6-178.8179.20113.9L751 L755 F756L751-K753 PolarHBondContact O-N 3.49Å; K753-L755 PolarHBondContact O-N 3.46Å; K753-F756 WeakPolarHBondContact O-CD2 3.49Å; K753-F756 PolarHBondContact O-N 3.04Å
754P92.9Very high93.9Very high34 Ų3451 Ų5122%0.22125%0.251CS..G310 helixtrans-55.6-26.1173.3-31.737.2000116.6P730 G733 P752 F756 R757P730-P754 HydrophobicContact CB-CG 4.07Å; P730-P754 WeakPolarHBondContact O-CB 3Å; G733-P754 WeakPolarHBondContact CA-O 3.38Å; P752-P754 VanDerWaalsContact O-N 3.13Å; P754-F756 PolarHBondContact O-N 3.18Å; P754-F756 VanDerWaalsContact O-N 3.15Å; P754-R757 VanDerWaalsContact O-CB 3.28Å; P754-R757 WeakPolarHBondContact O-CB 3.41Å; P754-R757 WeakPolarHBondContact O-CG 3.45Å; P754-R757 PolarHBondContact O-N 2.81Å
755L92.8Very high94Very high0 Ų050.1 Ų50.10%025%0.247CC..G310 helixtrans-53.7-36.5178174.862.2000112.4L728 V732 L741 L751 P752 K753 R757 C758L728-L755 HydrophobicContact CD2-CD1 4.36Å; L728-L755 HydrophobicContact CD2-CD2 4.1Å; V732-L755 HydrophobicContact CB-CD1 4.45Å; V732-L755 HydrophobicContact CG1-CB 3.81Å; V732-L755 HydrophobicContact CG1-CD1 3.92Å; V732-L755 HydrophobicContact CG1-CG 4.45Å; V732-L755 HydrophobicContact CG2-CD1 3.65Å; L741-L755 HydrophobicContact CD2-CD1 3.55Å; L751-L755 HydrophobicContact CB-CD2 4.46Å; L751-L755 HydrophobicContact CD1-CD2 4.41Å; L751-L755 HydrophobicContact CD2-CD2 4.22Å; P752-L755 HydrophobicContact CG-CB 4.34Å; P752-L755 VanDerWaalsContact O-CB 3.25Å; P752-L755 WeakPolarHBondContact O-CB 3.19Å; P752-L755 PolarHBondContact O-N 3.44Å; K753-L755 PolarHBondContact O-N 3.46Å; L755-R757 PolarHBondContact O-N 3.41Å; L755-C758 WeakPolarHBondContact O-CB 3.41Å; L755-C758 PolarHBondContact O-N 3.31Å; L755-C758 PolarHBondContact O-SG 3.13Å
756F91.4Very high93.9Very high0 Ų048.8 Ų48.80%024%0.238CC..G310 helixtrans-76.9-2.4-176.1-54.8-76.3000113.6L751 K753 P754 C758 L774 P775 T777 V778 L781L751-F756 HydrophobicContact CB-CE2 4.46Å; L751-F756 HydrophobicContact CB-CZ 4.45Å; L751-F756 HydrophobicContact CD1-CZ 4.14Å; K753-F756 WeakPolarHBondContact O-CD2 3.49Å; K753-F756 PolarHBondContact O-N 3.04Å; P754-F756 PolarHBondContact O-N 3.18Å; P754-F756 VanDerWaalsContact O-N 3.15Å; F756-C758 PolarHBondContact O-N 3.37Å; F756-L774 HydrophobicContact CZ-CD1 4.35Å; F756-P775 HydrophobicContact CD2-CB 4.49Å; F756-P775 HydrophobicContact CE2-CB 3.81Å; F756-P775 HydrophobicContact CE2-CG 3.76Å; F756-P775 HydrophobicContact CZ-CB 4.3Å; F756-P775 HydrophobicContact CZ-CG 4.18Å; F756-T777 WeakPolarHBondContact CB-O 3.46Å; F756-T777 WeakPolarHBondContact CD2-OG1 3.48Å; F756-V778 VanDerWaalsContact CD1-CA 3.41Å; F756-V778 HydrophobicContact CD1-CB 4.06Å; F756-V778 HydrophobicContact CD1-CG2 4.33Å; F756-V778 HydrophobicContact CE1-CB 3.68Å; F756-V778 HydrophobicContact CE1-CG2 3.87Å; F756-V778 HydrophobicContact CZ-CB 4.41Å; F756-L781 HydrophobicContact CD1-CD1 3.73Å; F756-L781 HydrophobicContact CD1-CG 4.03Å; F756-L781 HydrophobicContact CE1-CD1 4.21Å
757R90.9Very high93.8Very high169 Ų16948.2 Ų48.264%0.63824%0.235SC*.G310 helixtrans-72.1-16.6167.5-64.2-180175.3176.3-1.6112.6P754 L755 T759P754-R757 VanDerWaalsContact O-CB 3.28Å; P754-R757 WeakPolarHBondContact O-CB 3.41Å; P754-R757 WeakPolarHBondContact O-CG 3.45Å; P754-R757 PolarHBondContact O-N 2.81Å; L755-R757 PolarHBondContact O-N 3.41Å; R757-T759 PolarHBondContact O-N 3.42Å
758C92.4Very high93.8Very high0 Ų047.5 Ų47.50%023%0.233CC..  trans-73.470.4176.3-62.40000111.6V732 L735 L755 F756 K760 L761 L781V732-C758 PolarHBondContact O-SG 2.96Å; V732-C758 VanDerWaalsContact O-SG 3.41Å; L735-C758 PolarHBondContact O-SG 2.93Å; L755-C758 WeakPolarHBondContact O-CB 3.41Å; L755-C758 PolarHBondContact O-N 3.31Å; L755-C758 PolarHBondContact O-SG 3.13Å; F756-C758 PolarHBondContact O-N 3.37Å; C758-K760 PolarHBondContact O-N 2.93Å; C758-L761 VanDerWaalsContact O-CB 3.29Å; C758-L761 WeakPolarHBondContact O-CB 3.35Å; C758-L761 PolarHBondContact O-N 3.22Å; C758-L781 WeakPolarHBondContact O-CD2 3.37Å
759T89.8Confident93.8Very high75 Ų7548 Ų4846%0.4624%0.236SC..THydrogen-bonded Turntrans-63.4-14.1-172.855.60000115.3R757 Q783R757-T759 PolarHBondContact O-N 3.42Å; T759-Q783 WeakPolarHBondContact O-CG 3.34Å
760K94.6Very high93.9Very high99 Ų9943.2 Ų43.243%0.4322%0.22SC..THydrogen-bonded Turntrans-87.8-0.2175.7-63.8-171.7-172.6173.20114.1N737 L738 C758 K762N737-K760 PolarHBondContact OD1-NZ 2.64Å; L738-K760 CarbonylContact O-C 3.5Å; C758-K760 PolarHBondContact O-N 2.93Å; K760-K762 PolarHBondContact O-N 3.2Å
761L95.4Very high94Very high0 Ų040.4 Ų40.40%020%0.196CC..  trans-66.3123.7-178.4-159.773.8000110.6L738 L741 C758 L764 L781 Q783 L784L738-L761 HydrophobicContact CB-CD1 4.3Å; L738-L761 HydrophobicContact CD2-CD1 3.99Å; L738-L761 HydrophobicContact CG-CD1 3.82Å; L738-L761 WeakPolarHBondContact O-CA 3.4Å; L738-L761 PolarHBondContact O-N 2.92Å; L741-L761 HydrophobicContact CB-CD1 3.96Å; C758-L761 VanDerWaalsContact O-CB 3.29Å; C758-L761 WeakPolarHBondContact O-CB 3.35Å; C758-L761 PolarHBondContact O-N 3.22Å; L761-L764 HydrophobicContact CD2-CB 3.89Å; L761-L764 HydrophobicContact CD2-CD1 4.14Å; L761-L764 HydrophobicContact CD2-CD2 4.07Å; L761-L764 HydrophobicContact CD2-CG 4.25Å; L761-L781 HydrophobicContact CB-CD2 4.13Å; L761-L781 HydrophobicContact CD2-CD1 3.97Å; L761-Q783 CarbonylContact O-C 3.4Å; L761-Q783 VanDerWaalsContact O-C 3.3Å; L761-L784 HydrophobicContact CD2-CD1 4.5Å; L761-L784 WeakPolarHBondContact O-CA 3.35Å; L761-L784 PolarHBondContact O-N 3.29Å
762K95.6Very high93.9Very high87 Ų8743.7 Ų43.738%0.37822%0.216SC..  trans-104.8-41.2179.3-63.7179.4179.7173.20111.8Q739 K760 Q783 T785 Q786Q739-K762 WeakPolarHBondContact O-CA 3.35Å; Q739-K762 PolarHBondContact O-N 3.49Å; K760-K762 PolarHBondContact O-N 3.2Å; K762-Q783 WeakPolarHBondContact CA-O 2.99Å; K762-T785 PolarHBondContact O-N 3.17Å; K762-T785 PolarHBondContact O-OG1 2.98Å; K762-Q786 PolarHBondContact O-N 2.65Å
763V96.4Very high93.8Very high21 Ų2145.9 Ų45.913%0.12723%0.233CC..EExtended strand (participates in β ladder)trans-124123-177.2-176.70000109.3Q739 H740 L741 Q786Q739-V763 PolarHBondContact O-N 3.02Å; H740-V763 WeakPolarHBondContact CA-O 3.17Å; H740-V763 VanDerWaalsContact CD2-CB 3.41Å; H740-V763 WeakPolarHBondContact CD2-CB 3.29Å; L741-V763 PolarHBondContact N-O 3.41Å; V763-Q786 WeakPolarHBondContact CA-O 3.48Å; V763-Q786 HydrophobicContact CG1-CB 4.2Å; V763-Q786 HydrophobicContact CG1-CG 4.33Å; V763-Q786 HydrophobicContact CG2-CB 4.24Å
764L96.6Very high93.9Very high0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-126.7104.6175.8-179.853.9000109.4L741 L761 L766 L781 L784 Q786 L787 E788L741-L764 HydrophobicContact CB-CD1 4.13Å; L741-L764 HydrophobicContact CD2-CD1 4Å; L741-L764 HydrophobicContact CG-CD1 4.19Å; L741-L764 WeakPolarHBondContact O-CA 3.2Å; L761-L764 HydrophobicContact CD2-CB 3.89Å; L761-L764 HydrophobicContact CD2-CD1 4.14Å; L761-L764 HydrophobicContact CD2-CD2 4.07Å; L761-L764 HydrophobicContact CD2-CG 4.25Å; L764-L766 HydrophobicContact CD1-CD1 4.05Å; L764-L766 HydrophobicContact CD1-CD2 3.95Å; L764-L766 HydrophobicContact CD1-CG 3.83Å; L764-L766 HydrophobicContact CD2-CD1 3.83Å; L764-L766 HydrophobicContact CD2-CG 4.49Å; L764-L766 HydrophobicContact CG-CD1 3.7Å; L764-L766 HydrophobicContact CG-CD2 4.49Å; L764-L766 HydrophobicContact CG-CG 3.85Å; L764-L781 HydrophobicContact CD2-CD1 4.3Å; L764-L784 HydrophobicContact CB-CD1 3.9Å; L764-Q786 PolarHBondContact N-O 3.32Å; L764-L787 HydrophobicContact CB-CD1 3.97Å; L764-L787 HydrophobicContact CD2-CD1 3.89Å; L764-L787 HydrophobicContact CG-CD1 3.9Å; L764-L787 WeakPolarHBondContact O-CA 3.45Å; L764-E788 PolarHBondContact O-N 2.83Å
765C96.6Very high93.8Very high11 Ų1138.6 Ų38.67%0.07420%0.2CC..EExtended strand (participates in β ladder)trans-101.6112.4178.5-680000110.6L741 A742 I743 N744 E788L741-C765 PolarHBondContact O-N 3.35Å; A742-C765 HydrophobicContact CB-CB 4.07Å; I743-C765 CarbonylContact C-O 3.56Å; I743-C765 PolarHBondContact N-O 3.44Å; N744-C765 HydrophobicContact CB-CB 4.49Å; N744-C765 PolarHBondContact N-O 2.87Å; C765-E788 HydrophobicContact CB-CB 4.46Å; C765-E788 PolarHBondContact SG-OE2 3.09Å; C765-E788 VanDerWaalsContact SG-OE2 3.36Å
766L95.6Very high93.6Very high2 Ų245 Ų451%0.0123%0.23CC..  trans-126.39.2-176-63167.1000112.5I743 L751 L764 N769 L771 L787 E788 L789 N792I743-L766 HydrophobicContact CB-CD2 4.45Å; I743-L766 HydrophobicContact CD1-CD2 4.47Å; L751-L766 HydrophobicContact CD1-CD1 3.57Å; L751-L766 HydrophobicContact CD1-CD2 4.43Å; L751-L766 HydrophobicContact CD2-CD2 3.86Å; L764-L766 HydrophobicContact CD1-CD1 4.05Å; L764-L766 HydrophobicContact CD1-CD2 3.95Å; L764-L766 HydrophobicContact CD1-CG 3.83Å; L764-L766 HydrophobicContact CD2-CD1 3.83Å; L764-L766 HydrophobicContact CD2-CG 4.49Å; L764-L766 HydrophobicContact CG-CD1 3.7Å; L764-L766 HydrophobicContact CG-CD2 4.49Å; L764-L766 HydrophobicContact CG-CG 3.85Å; L766-N769 PolarHBondContact O-ND2 3.39Å; L766-L771 HydrophobicContact CB-CD1 4.09Å; L766-L771 HydrophobicContact CD1-CD1 4.21Å; L766-L787 HydrophobicContact CD1-CD1 4.35Å; L766-E788 CarbonylContact C-O 3.39Å; L766-E788 VanDerWaalsContact CA-O 3.31Å; L766-E788 WeakPolarHBondContact CA-O 3.36Å; L766-E788 WeakPolarHBondContact CB-O 3.44Å; L766-E788 PolarHBondContact N-O 3.43Å; L766-L789 HydrophobicContact CB-CD2 4.18Å; L766-L789 HydrophobicContact CD1-CD2 3.86Å; L766-N792 PolarHBondContact O-ND2 3.29Å
767G93.6Very high93.6Very high0 Ų046.6 Ų46.60%024%0.24CC..  trans-59.1156.5-177.300000113.4N744 S745 N769 E788 R790N744-G767 CarbonylContact C-O 3.25Å; N744-G767 WeakPolarHBondContact CA-O 3.34Å; N744-G767 VanDerWaalsContact CB-O 3.32Å; N744-G767 WeakPolarHBondContact CB-O 3.26Å; S745-G767 PolarHBondContact N-O 3.24Å; G767-N769 PolarHBondContact O-N 3.04Å; G767-N769 PolarHBondContact O-ND2 3.25Å; G767-E788 PolarHBondContact N-O 3.07Å; G767-R790 CarbonylContact C-O 3.28Å; G767-R790 VanDerWaalsContact C-O 3.31Å; G767-R790 WeakPolarHBondContact CA-O 3.35Å
768H95.3Very high93.6Very high109 Ų10938.6 Ų38.651%0.50521%0.21SC..SBendtrans51.456.2-179.7-61.4-69.5000113.1S745 N746 R790 G791S745-H768 CarbonylContact C-O 3.58Å; S745-H768 WeakPolarHBondContact CA-O 3.4Å; S745-H768 PolarHBondContact N-O 3.28Å; N746-H768 PolarHBondContact N-O 2.87Å; N746-H768 VanDerWaalsContact N-O 3.16Å; H768-R790 PolarHBondContact N-O 3.49Å; H768-G791 VanDerWaalsContact CA-O 3.28Å; H768-G791 WeakPolarHBondContact CA-O 3.06Å
769N96Very high93.4Very high13 Ų1339.1 Ų39.17%0.0722%0.215CC..SBendtrans-125.9-171.2172.4-85-76.1000109.7I743 N746 K747 V748 L766 G767 L771 G791 N792I743-N769 PolarHBondContact O-ND2 3.09Å; N746-N769 WeakPolarHBondContact CA-OD1 3.33Å; N746-N769 WeakPolarHBondContact CB-OD1 3.46Å; N746-N769 PolarHBondContact N-OD1 2.99Å; N746-N769 PolarHBondContact O-OD1 3.32Å; K747-N769 PolarHBondContact N-OD1 3.47Å; V748-N769 WeakPolarHBondContact CB-OD1 3.34Å; V748-N769 PolarHBondContact N-OD1 2.86Å; L766-N769 PolarHBondContact O-ND2 3.39Å; G767-N769 PolarHBondContact O-N 3.04Å; G767-N769 PolarHBondContact O-ND2 3.25Å; N769-L771 HydrophobicContact CB-CG 4.26Å; N769-G791 PolarHBondContact N-O 3.04Å; N769-G791 VanDerWaalsContact O-O 3.1Å; N769-N792 WeakPolarHBondContact CA-OD1 3.05Å; N769-N792 WeakPolarHBondContact CB-OD1 3.34Å; N769-N792 PolarHBondContact N-OD1 3.03Å; N769-N792 PolarHBondContact O-OD1 3.39Å
770A94.5Very high93.4Very high37 Ų3740.4 Ų40.431%0.30622%0.216SC..  trans-110.129.9178.800000112.1V748 E749 T772V748-A770 CarbonylContact O-C 3.35Å; V748-A770 VanDerWaalsContact O-C 3.25Å; V748-A770 WeakPolarHBondContact O-CA 3.37Å; V748-A770 PolarHBondContact O-N 3.28Å; E749-A770 HydrophobicContact CG-CB 4.25Å; A770-T772 PolarHBondContact O-N 3.44Å
771L94.9Very high93.3Very high2 Ų235.7 Ų35.71%0.0120%0.196CC..  trans-66.2125.1-175.8-62.7174.1000111V748 E749 L751 L766 N769 N792 C793 L794V748-L771 HydrophobicContact CG1-CD2 4.02Å; V748-L771 PolarHBondContact O-N 2.88Å; E749-L771 WeakPolarHBondContact O-CA 3.27Å; L751-L771 HydrophobicContact CD1-CD1 4.21Å; L751-L771 HydrophobicContact CD2-CD2 4.17Å; L751-L771 HydrophobicContact CG-CD1 4.28Å; L751-L771 HydrophobicContact CG-CD2 3.85Å; L766-L771 HydrophobicContact CB-CD1 4.09Å; L766-L771 HydrophobicContact CD1-CD1 4.21Å; N769-L771 HydrophobicContact CB-CG 4.26Å; L771-N792 HydrophobicContact CB-CB 4.14Å; L771-N792 VanDerWaalsContact CB-OD1 3.24Å; L771-N792 WeakPolarHBondContact CB-OD1 3.23Å; L771-N792 VanDerWaalsContact CG-OD1 3.29Å; L771-N792 WeakPolarHBondContact CG-OD1 3.3Å; L771-N792 PolarHBondContact N-OD1 3.36Å; L771-C793 CarbonylContact O-C 3.06Å; L771-C793 WeakPolarHBondContact O-CA 3.29Å; L771-C793 PolarHBondContact O-N 2.04Å; L771-L794 HydrophobicContact CB-CD2 4.05Å; L771-L794 PolarHBondContact O-N 3.16Å
772T92.5Very high93Very high82 Ų8239 Ų3950%0.50322%0.216SC..  trans-90.4-29.7176.956.70000113.1E749 A770 C793E749-T772 PolarHBondContact O-N 3.05Å; A770-T772 PolarHBondContact O-N 3.44Å; T772-C793 WeakPolarHBondContact CA-O 3.31Å
773S91.7Very high92.9Very high69 Ų6939 Ų3948%0.48322%0.217SC..  trans-149.4148.8178.159.70000111.8
774L92.6Very high92.8Very high10 Ų1038 Ų385%0.05221%0.211CC..  trans-99.8121.5170-174.667.4000108.8L751 F756 V778 L787 L789 P798 L801L751-L774 HydrophobicContact CD1-CD1 3.96Å; F756-L774 HydrophobicContact CZ-CD1 4.35Å; L774-V778 HydrophobicContact CD2-CB 4.28Å; L774-V778 HydrophobicContact CD2-CG1 4.01Å; L774-V778 HydrophobicContact CD2-CG2 4.18Å; L774-V778 HydrophobicContact CG-CB 4.27Å; L774-V778 HydrophobicContact CG-CG1 4.24Å; L774-L787 HydrophobicContact CD2-CD2 4.35Å; L774-L789 HydrophobicContact CD1-CD2 4.46Å; L774-L789 HydrophobicContact CD2-CD1 4.02Å; L774-P798 HydrophobicContact CB-CG 4.13Å; L774-P798 HydrophobicContact CD2-CG 3.92Å; L774-P798 HydrophobicContact CG-CG 4.09Å; L774-L801 HydrophobicContact CD2-CD1 4.36Å; L774-L801 HydrophobicContact CD2-CD2 4.28Å
775P90.9Very high92.6Very high25 Ų2540.9 Ų40.916%0.16223%0.229CC..  trans-61142.9-179.3-27.437.3000113.1F756 T777 V778F756-P775 HydrophobicContact CD2-CB 4.49Å; F756-P775 HydrophobicContact CE2-CB 3.81Å; F756-P775 HydrophobicContact CE2-CG 3.76Å; F756-P775 HydrophobicContact CZ-CB 4.3Å; F756-P775 HydrophobicContact CZ-CG 4.18Å; P775-T777 WeakPolarHBondContact CB-OG1 3.44Å; P775-T777 PolarHBondContact O-N 3.48Å; P775-V778 WeakPolarHBondContact O-CB 3.46Å; P775-V778 WeakPolarHBondContact O-CG1 3.43Å; P775-V778 PolarHBondContact O-N 2.9Å
776E88.9Confident92.6Very high133 Ų13343.6 Ų43.662%0.62124%0.24SC*.G310 helixtrans-56.7-23.6176.5-61.9-175171.200113.3V778 G779 Q800E776-V778 PolarHBondContact O-N 3.47Å; E776-V778 VanDerWaalsContact O-N 3.1Å; E776-G779 PolarHBondContact O-N 2.84Å; E776-Q800 HydrophobicContact CB-CG 4.09Å; E776-Q800 VanDerWaalsContact CD-NE2 3.34Å; E776-Q800 VanDerWaalsContact O-CB 3.24Å; E776-Q800 WeakPolarHBondContact O-CB 3.3Å; E776-Q800 PolarHBondContact OE2-NE2 2.75Å
777T91.3Very high92.6Very high35 Ų3543.5 Ų43.522%0.21524%0.24CC..G310 helixtrans-62.9-11.4175.548.40000113.6F756 P775 G779 Q780F756-T777 WeakPolarHBondContact CB-O 3.46Å; F756-T777 WeakPolarHBondContact CD2-OG1 3.48Å; P775-T777 WeakPolarHBondContact CB-OG1 3.44Å; P775-T777 PolarHBondContact O-N 3.48Å; T777-G779 PolarHBondContact O-N 3.06Å; T777-Q780 VanDerWaalsContact O-CB 3.27Å; T777-Q780 WeakPolarHBondContact O-CB 3.46Å; T777-Q780 WeakPolarHBondContact O-CG 3.29Å; T777-Q780 PolarHBondContact O-N 3.48Å
778V90.8Very high92.7Very high0 Ų045.4 Ų45.40%025%0.249CC..G310 helixtrans-54.4-32.2172.970.30000113.1F756 L774 P775 E776 Q780 L781 L787 P798 L801 C804F756-V778 VanDerWaalsContact CD1-CA 3.41Å; F756-V778 HydrophobicContact CD1-CB 4.06Å; F756-V778 HydrophobicContact CD1-CG2 4.33Å; F756-V778 HydrophobicContact CE1-CB 3.68Å; F756-V778 HydrophobicContact CE1-CG2 3.87Å; F756-V778 HydrophobicContact CZ-CB 4.41Å; L774-V778 HydrophobicContact CD2-CB 4.28Å; L774-V778 HydrophobicContact CD2-CG1 4.01Å; L774-V778 HydrophobicContact CD2-CG2 4.18Å; L774-V778 HydrophobicContact CG-CB 4.27Å; L774-V778 HydrophobicContact CG-CG1 4.24Å; P775-V778 WeakPolarHBondContact O-CB 3.46Å; P775-V778 WeakPolarHBondContact O-CG1 3.43Å; P775-V778 PolarHBondContact O-N 2.9Å; E776-V778 PolarHBondContact O-N 3.47Å; E776-V778 VanDerWaalsContact O-N 3.1Å; V778-Q780 PolarHBondContact O-N 3.04Å; V778-L781 HydrophobicContact CG2-CD1 4.44Å; V778-L781 WeakPolarHBondContact O-CB 3.45Å; V778-L781 PolarHBondContact O-N 3.35Å; V778-L787 HydrophobicContact CG2-CD2 4.47Å; V778-P798 HydrophobicContact CG1-CG 3.77Å; V778-L801 HydrophobicContact CG1-CD2 3.87Å; V778-L801 HydrophobicContact CG1-CG 4.05Å; V778-L801 HydrophobicContact CG2-CD2 3.96Å; V778-C804 PolarHBondContact O-SG 3.41Å
779G87.1Confident92.6Very high11 Ų1140.2 Ų40.211%0.11323%0.225CC..G310 helixtrans-62.3-14176.400000114.7E776 T777 L781 Q800E776-G779 PolarHBondContact O-N 2.84Å; T777-G779 PolarHBondContact O-N 3.06Å; G779-L781 VanDerWaalsContact C-N 3.27Å; G779-L781 PolarHBondContact O-N 3.43Å; G779-Q800 VanDerWaalsContact CA-O 3.23Å; G779-Q800 WeakPolarHBondContact CA-O 3.47Å
780Q91.1Very high92.5Very high102 Ų10246.8 Ų46.848%0.47725%0.249SC..G310 helixtrans-73.8-17.7174.9-62.4179.2-6.700112.8T777 V778 V782T777-Q780 VanDerWaalsContact O-CB 3.27Å; T777-Q780 WeakPolarHBondContact O-CB 3.46Å; T777-Q780 WeakPolarHBondContact O-CG 3.29Å; T777-Q780 PolarHBondContact O-N 3.48Å; V778-Q780 PolarHBondContact O-N 3.04Å; Q780-V782 PolarHBondContact O-N 2.88Å
781L91.9Very high92.3Very high0 Ų046.4 Ų46.40%025%0.248CC..  trans-80.370.5178.3-58.9179.8000110.8F756 C758 L761 L764 V778 G779 Q783 L784 C804F756-L781 HydrophobicContact CD1-CD1 3.73Å; F756-L781 HydrophobicContact CD1-CG 4.03Å; F756-L781 HydrophobicContact CE1-CD1 4.21Å; C758-L781 WeakPolarHBondContact O-CD2 3.37Å; L761-L781 HydrophobicContact CB-CD2 4.13Å; L761-L781 HydrophobicContact CD2-CD1 3.97Å; L764-L781 HydrophobicContact CD2-CD1 4.3Å; V778-L781 HydrophobicContact CG2-CD1 4.44Å; V778-L781 WeakPolarHBondContact O-CB 3.45Å; V778-L781 PolarHBondContact O-N 3.35Å; G779-L781 VanDerWaalsContact C-N 3.27Å; G779-L781 PolarHBondContact O-N 3.43Å; L781-Q783 PolarHBondContact O-N 2.95Å; L781-L784 HydrophobicContact CB-CB 4.01Å; L781-L784 HydrophobicContact CB-CD2 4.45Å; L781-L784 HydrophobicContact CD1-CD1 4.35Å; L781-L784 HydrophobicContact CD1-CD2 4.35Å; L781-L784 VanDerWaalsContact O-CB 3.26Å; L781-L784 WeakPolarHBondContact O-CB 2.99Å; L781-L784 PolarHBondContact O-N 3.38Å; L781-L784 VanDerWaalsContact O-N 3.14Å; L781-C804 PolarHBondContact O-SG 3.42Å; L781-C804 VanDerWaalsContact O-SG 3.37Å
782V89.5Confident92.3Very high70 Ų7047.1 Ų47.142%0.42425%0.252SS..THydrogen-bonded Turntrans-64.9-21-176.1-64.10000114Q780Q780-V782 PolarHBondContact O-N 2.88Å
783Q93.1Very high92.3Very high87 Ų8747.2 Ų47.241%0.40726%0.255SS..THydrogen-bonded Turntrans-92.11.3178.5-65.7-65.5-52.400113.7T759 L761 K762 L781 T785T759-Q783 WeakPolarHBondContact O-CG 3.34Å; L761-Q783 CarbonylContact O-C 3.4Å; L761-Q783 VanDerWaalsContact O-C 3.3Å; K762-Q783 WeakPolarHBondContact CA-O 2.99Å; L781-Q783 PolarHBondContact O-N 2.95Å; Q783-T785 PolarHBondContact O-N 2.89Å
784L93.9Very high92.3Very high0 Ų044.3 Ų44.30%023%0.234CC..  trans-68.7120.8-175.1-163.771.5000110.8L761 L764 L781 L787 L806 L807L761-L784 HydrophobicContact CD2-CD1 4.5Å; L761-L784 WeakPolarHBondContact O-CA 3.35Å; L761-L784 PolarHBondContact O-N 3.29Å; L764-L784 HydrophobicContact CB-CD1 3.9Å; L781-L784 HydrophobicContact CB-CB 4.01Å; L781-L784 HydrophobicContact CB-CD2 4.45Å; L781-L784 HydrophobicContact CD1-CD1 4.35Å; L781-L784 HydrophobicContact CD1-CD2 4.35Å; L781-L784 VanDerWaalsContact O-CB 3.26Å; L781-L784 WeakPolarHBondContact O-CB 2.99Å; L781-L784 PolarHBondContact O-N 3.38Å; L781-L784 VanDerWaalsContact O-N 3.14Å; L784-L787 HydrophobicContact CD2-CB 3.96Å; L784-L787 HydrophobicContact CD2-CD1 4.47Å; L784-L787 HydrophobicContact CD2-CD2 4.17Å; L784-L787 HydrophobicContact CD2-CG 4.43Å; L784-L806 CarbonylContact O-C 3.57Å; L784-L806 VanDerWaalsContact O-C 3.25Å; L784-L807 WeakPolarHBondContact O-CA 3.38Å; L784-L807 PolarHBondContact O-N 3.07Å; L784-L807 VanDerWaalsContact O-N 3.08Å
785T93.8Very high92.1Very high60 Ų6050.5 Ų50.537%0.36827%0.267SS..  trans-105.1-31.1177.355.60000112.1K762 Q783 L806 G811K762-T785 PolarHBondContact O-N 3.17Å; K762-T785 PolarHBondContact O-OG1 2.98Å; Q783-T785 PolarHBondContact O-N 2.89Å; T785-L806 HydrophobicContact CG2-CB 4.13Å; T785-G811 WeakPolarHBondContact O-CA 3.39Å
786Q95.1Very high92Very high69 Ų6958.6 Ų58.632%0.32229%0.294SS..EExtended strand (participates in β ladder)trans-136.7129.4-178.2-175.8175.7-15.100110.9K762 V763 L764 G811K762-Q786 PolarHBondContact O-N 2.65Å; V763-Q786 WeakPolarHBondContact CA-O 3.48Å; V763-Q786 HydrophobicContact CG1-CB 4.2Å; V763-Q786 HydrophobicContact CG1-CG 4.33Å; V763-Q786 HydrophobicContact CG2-CB 4.24Å; L764-Q786 PolarHBondContact N-O 3.32Å; Q786-G811 CarbonylContact C-O 3.6Å; Q786-G811 VanDerWaalsContact CA-O 3.3Å; Q786-G811 WeakPolarHBondContact CA-O 3.15Å
787L95.3Very high92.1Very high0 Ų052.7 Ų52.70%027%0.267CS..EExtended strand (participates in β ladder)trans-134.6113.8177.6179.257.4000108.9L764 L766 L774 V778 L784 L789 L801 L807 G811 L812 I813L764-L787 HydrophobicContact CB-CD1 3.97Å; L764-L787 HydrophobicContact CD2-CD1 3.89Å; L764-L787 HydrophobicContact CG-CD1 3.9Å; L764-L787 WeakPolarHBondContact O-CA 3.45Å; L766-L787 HydrophobicContact CD1-CD1 4.35Å; L774-L787 HydrophobicContact CD2-CD2 4.35Å; V778-L787 HydrophobicContact CG2-CD2 4.47Å; L784-L787 HydrophobicContact CD2-CB 3.96Å; L784-L787 HydrophobicContact CD2-CD1 4.47Å; L784-L787 HydrophobicContact CD2-CD2 4.17Å; L784-L787 HydrophobicContact CD2-CG 4.43Å; L787-L789 HydrophobicContact CD1-CD2 4.1Å; L787-L789 HydrophobicContact CD1-CG 4.18Å; L787-L789 HydrophobicContact CD2-CD1 3.97Å; L787-L789 HydrophobicContact CD2-CG 4.39Å; L787-L789 HydrophobicContact CG-CD1 4.08Å; L787-L789 HydrophobicContact CG-CD2 4.42Å; L787-L789 HydrophobicContact CG-CG 3.97Å; L787-L801 HydrophobicContact CD2-CD2 3.6Å; L787-L807 HydrophobicContact CB-CD1 4.04Å; L787-L807 HydrophobicContact CB-CD2 4.49Å; L787-G811 PolarHBondContact N-O 2.85Å; L787-L812 HydrophobicContact CB-CD1 4.18Å; L787-L812 HydrophobicContact CD2-CD1 4.03Å; L787-L812 HydrophobicContact CG-CD1 4.19Å; L787-L812 WeakPolarHBondContact O-CA 3.21Å; L787-I813 PolarHBondContact O-N 2.04Å
788E95.6Very high92.1Very high40 Ų4051.8 Ų51.819%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-108118.4177.9-178.9-177.8-178.100110.5L764 C765 L766 G767 I813L764-E788 PolarHBondContact O-N 2.83Å; C765-E788 HydrophobicContact CB-CB 4.46Å; C765-E788 PolarHBondContact SG-OE2 3.09Å; C765-E788 VanDerWaalsContact SG-OE2 3.36Å; L766-E788 CarbonylContact C-O 3.39Å; L766-E788 VanDerWaalsContact CA-O 3.31Å; L766-E788 WeakPolarHBondContact CA-O 3.36Å; L766-E788 WeakPolarHBondContact CB-O 3.44Å; L766-E788 PolarHBondContact N-O 3.43Å; G767-E788 PolarHBondContact N-O 3.07Å; E788-I813 HydrophobicContact CB-CB 4.15Å; E788-I813 HydrophobicContact CB-CD1 4.35Å; E788-I813 HydrophobicContact CG-CB 4.05Å; E788-I813 HydrophobicContact CG-CD1 4.42Å; E788-I813 HydrophobicContact CG-CG2 4.08Å
789L94.3Very high92Very high0 Ų055.4 Ų55.40%028%0.283CS..  trans-123.1-4-176.6-64.7171.4000113.1L766 L774 L787 N792 L794 L797 I813 V814L766-L789 HydrophobicContact CB-CD2 4.18Å; L766-L789 HydrophobicContact CD1-CD2 3.86Å; L774-L789 HydrophobicContact CD1-CD2 4.46Å; L774-L789 HydrophobicContact CD2-CD1 4.02Å; L787-L789 HydrophobicContact CD1-CD2 4.1Å; L787-L789 HydrophobicContact CD1-CG 4.18Å; L787-L789 HydrophobicContact CD2-CD1 3.97Å; L787-L789 HydrophobicContact CD2-CG 4.39Å; L787-L789 HydrophobicContact CG-CD1 4.08Å; L787-L789 HydrophobicContact CG-CD2 4.42Å; L787-L789 HydrophobicContact CG-CG 3.97Å; L789-N792 WeakPolarHBondContact O-CB 3.42Å; L789-N792 PolarHBondContact O-ND2 3.2Å; L789-L794 HydrophobicContact CB-CD1 4.02Å; L789-L794 HydrophobicContact CD1-CD1 4.12Å; L789-L794 HydrophobicContact CD2-CD1 4.32Å; L789-L794 HydrophobicContact CG-CD1 4.39Å; L789-L797 HydrophobicContact CD1-CD2 3.8Å; L789-I813 PolarHBondContact N-O 2.98Å; L789-V814 HydrophobicContact CB-CB 4.46Å; L789-V814 HydrophobicContact CB-CG2 4.18Å
790R93.4Very high92.1Very high151 Ų15157.2 Ų57.257%0.5729%0.289SS*.THydrogen-bonded Turntrans-55.8138.6-176-169.1-180-171.7-173.84112.6G767 H768 I813G767-R790 CarbonylContact C-O 3.28Å; G767-R790 VanDerWaalsContact C-O 3.31Å; G767-R790 WeakPolarHBondContact CA-O 3.35Å; H768-R790 PolarHBondContact N-O 3.49Å; R790-I813 HydrophobicContact CB-CG2 4.39Å; R790-I813 PolarHBondContact N-O 3.41Å
791G91.4Very high92Very high28 Ų2852.4 Ų52.429%0.28927%0.266SS..THydrogen-bonded Turntrans78.431.117900000113.4H768 N769 E815H768-G791 VanDerWaalsContact CA-O 3.28Å; H768-G791 WeakPolarHBondContact CA-O 3.06Å; N769-G791 PolarHBondContact N-O 3.04Å; N769-G791 VanDerWaalsContact O-O 3.1Å; G791-E815 PolarHBondContact N-OE1 3.27Å
792N94.7Very high91.7Very high18 Ų1853.4 Ų53.410%0.09628%0.277CS..SBendtrans-108.9175.3170.3-79.7-78.8000111.2L766 N769 L771 L789 L794L766-N792 PolarHBondContact O-ND2 3.29Å; N769-N792 WeakPolarHBondContact CA-OD1 3.05Å; N769-N792 WeakPolarHBondContact CB-OD1 3.34Å; N769-N792 PolarHBondContact N-OD1 3.03Å; N769-N792 PolarHBondContact O-OD1 3.39Å; L771-N792 HydrophobicContact CB-CB 4.14Å; L771-N792 VanDerWaalsContact CB-OD1 3.24Å; L771-N792 WeakPolarHBondContact CB-OD1 3.23Å; L771-N792 VanDerWaalsContact CG-OD1 3.29Å; L771-N792 WeakPolarHBondContact CG-OD1 3.3Å; L771-N792 PolarHBondContact N-OD1 3.36Å; L789-N792 WeakPolarHBondContact O-CB 3.42Å; L789-N792 PolarHBondContact O-ND2 3.2Å; N792-L794 HydrophobicContact CB-CD1 4.29Å; N792-L794 HydrophobicContact CB-CG 3.97Å
793C92.2Very high91.5Very high83 Ų8353.1 Ų53.156%0.56128%0.278SS*.  trans-102.642.8177.8-61.30000111.3L771 T772L771-C793 CarbonylContact O-C 3.06Å; L771-C793 WeakPolarHBondContact O-CA 3.29Å; L771-C793 PolarHBondContact O-N 2.04Å; T772-C793 WeakPolarHBondContact CA-O 3.31Å
794L92.4Very high91.3Very high9 Ų949.1 Ų49.15%0.04726%0.26CS..  trans-77.1132.7-178.3-62.3170.9000109.8L771 L789 N792 L797 L818L771-L794 HydrophobicContact CB-CD2 4.05Å; L771-L794 PolarHBondContact O-N 3.16Å; L789-L794 HydrophobicContact CB-CD1 4.02Å; L789-L794 HydrophobicContact CD1-CD1 4.12Å; L789-L794 HydrophobicContact CD2-CD1 4.32Å; L789-L794 HydrophobicContact CG-CD1 4.39Å; N792-L794 HydrophobicContact CB-CD1 4.29Å; N792-L794 HydrophobicContact CB-CG 3.97Å; L794-L797 HydrophobicContact CD1-CD2 4.19Å; L794-L818 HydrophobicContact CB-CD1 3.87Å; L794-L818 HydrophobicContact CB-CD2 4.09Å; L794-L818 VanDerWaalsContact O-CD2 3.29Å; L794-L818 WeakPolarHBondContact O-CD2 3.44Å
795D87.7Confident90.8Very high140 Ų14059 Ų5975%0.74930%0.297SS*.SBendtrans-84.8-34.2173.8-66.5-35000112.5
796R89.5Confident90.5Very high195 Ų19559.6 Ų59.674%0.73630%0.297SS*.  trans-155.6154.9-176.159-179.6170.5177.6-2.7111.7
797L90.7Very high90.2Very high9 Ų956.5 Ų56.55%0.04728%0.283CS..  trans-96.2139.9172.6-64.5178.3000111.4L789 L794 L801 V814 L818 T821 L822L789-L797 HydrophobicContact CD1-CD2 3.8Å; L794-L797 HydrophobicContact CD1-CD2 4.19Å; L797-L801 HydrophobicContact CB-CD1 3.95Å; L797-L801 HydrophobicContact CD1-CD1 4.35Å; L797-L801 HydrophobicContact CD2-CD1 4.37Å; L797-L801 HydrophobicContact CG-CD1 4.46Å; L797-V814 HydrophobicContact CD1-CG1 4.18Å; L797-V814 HydrophobicContact CD1-CG2 4.18Å; L797-V814 HydrophobicContact CD2-CG2 4.39Å; L797-L818 HydrophobicContact CD1-CB 4.35Å; L797-L818 HydrophobicContact CG-CB 4.33Å; L797-T821 PolarHBondContact N-OG1 3.24Å; L797-L822 HydrophobicContact CB-CD2 3.68Å; L797-L822 HydrophobicContact CB-CG 4Å; L797-L822 HydrophobicContact CD1-CD1 3.97Å; L797-L822 HydrophobicContact CD1-CG 4.17Å
798P90.6Very high89.8Confident16 Ų1660.5 Ų60.510%0.10430%0.298CS..  trans-71.2137.4178.628.2-33.7000111.4L774 V778 Q800 L801L774-P798 HydrophobicContact CB-CG 4.13Å; L774-P798 HydrophobicContact CD2-CG 3.92Å; L774-P798 HydrophobicContact CG-CG 4.09Å; V778-P798 HydrophobicContact CG1-CG 3.77Å; P798-Q800 PolarHBondContact O-N 3.04Å; P798-Q800 VanDerWaalsContact O-N 3.1Å; P798-L801 HydrophobicContact CG-CD1 4.43Å; P798-L801 HydrophobicContact CG-CG 4.29Å; P798-L801 WeakPolarHBondContact O-CB 3.43Å; P798-L801 PolarHBondContact O-N 3.28Å; P798-L801 VanDerWaalsContact O-N 3.11Å
799V87.8Confident89.3Confident75 Ų7564.6 Ų64.646%0.45532%0.316SS..G310 helixtrans-60.4-23.7179.1-55.90000112.7L801 G802 P823V799-L801 PolarHBondContact O-N 3.48Å; V799-L801 VanDerWaalsContact O-N 3.14Å; V799-G802 PolarHBondContact O-N 3.29Å; V799-G802 VanDerWaalsContact O-N 3.08Å; V799-P823 HydrophobicContact CB-CG 4.24Å; V799-P823 HydrophobicContact CG1-CG 3.49Å; V799-P823 VanDerWaalsContact CG1-CG 3.49Å
800Q91.1Very high88.8Confident50 Ų5071.5 Ų71.523%0.23435%0.352CS..G310 helixtrans-63.6-13.8177.7-64.979.9100113.1E776 G779 P798 G802 S803E776-Q800 HydrophobicContact CB-CG 4.09Å; E776-Q800 VanDerWaalsContact CD-NE2 3.34Å; E776-Q800 VanDerWaalsContact O-CB 3.24Å; E776-Q800 WeakPolarHBondContact O-CB 3.3Å; E776-Q800 PolarHBondContact OE2-NE2 2.75Å; G779-Q800 VanDerWaalsContact CA-O 3.23Å; G779-Q800 WeakPolarHBondContact CA-O 3.47Å; P798-Q800 PolarHBondContact O-N 3.04Å; P798-Q800 VanDerWaalsContact O-N 3.1Å; Q800-G802 PolarHBondContact O-N 2.9Å; Q800-S803 WeakPolarHBondContact O-CB 3.36Å; Q800-S803 PolarHBondContact O-N 3.07Å; Q800-S803 PolarHBondContact O-OG 3.34Å
801L88.6Confident88.5Confident0 Ų064.7 Ų64.70%033%0.329CS..G310 helixtrans-56.9-28.9168.5-78.3168.5000112.6L774 V778 L787 L797 P798 V799 S803 C804 L807 L822L774-L801 HydrophobicContact CD2-CD1 4.36Å; L774-L801 HydrophobicContact CD2-CD2 4.28Å; V778-L801 HydrophobicContact CG1-CD2 3.87Å; V778-L801 HydrophobicContact CG1-CG 4.05Å; V778-L801 HydrophobicContact CG2-CD2 3.96Å; L787-L801 HydrophobicContact CD2-CD2 3.6Å; L797-L801 HydrophobicContact CB-CD1 3.95Å; L797-L801 HydrophobicContact CD1-CD1 4.35Å; L797-L801 HydrophobicContact CD2-CD1 4.37Å; L797-L801 HydrophobicContact CG-CD1 4.46Å; P798-L801 HydrophobicContact CG-CD1 4.43Å; P798-L801 HydrophobicContact CG-CG 4.29Å; P798-L801 WeakPolarHBondContact O-CB 3.43Å; P798-L801 PolarHBondContact O-N 3.28Å; P798-L801 VanDerWaalsContact O-N 3.11Å; V799-L801 PolarHBondContact O-N 3.48Å; V799-L801 VanDerWaalsContact O-N 3.14Å; L801-S803 PolarHBondContact O-N 3.29Å; L801-S803 VanDerWaalsContact O-N 3.16Å; L801-C804 WeakPolarHBondContact O-CB 3.49Å; L801-C804 PolarHBondContact O-N 3.02Å; L801-L807 HydrophobicContact CD2-CD2 4.12Å; L801-L822 HydrophobicContact CD1-CD2 4.43Å
802G84.2Confident88.5Confident22 Ų2263.9 Ų63.923%0.22732%0.318CS..G310 helixtrans-63.1-16.7172.700000114V799 Q800 C804V799-G802 PolarHBondContact O-N 3.29Å; V799-G802 VanDerWaalsContact O-N 3.08Å; Q800-G802 PolarHBondContact O-N 2.9Å; G802-C804 VanDerWaalsContact C-N 3.33Å
803S86.9Confident88.4Confident63 Ų6365.9 Ų65.944%0.44133%0.328SS..G310 helixtrans-77.7-17.5174.9-56.80000113Q800 L801 R805Q800-S803 WeakPolarHBondContact O-CB 3.36Å; Q800-S803 PolarHBondContact O-N 3.07Å; Q800-S803 PolarHBondContact O-OG 3.34Å; L801-S803 PolarHBondContact O-N 3.29Å; L801-S803 VanDerWaalsContact O-N 3.16Å; S803-R805 PolarHBondContact O-N 3.16Å
804C88Confident88.5Confident4 Ų462.8 Ų62.83%0.02731%0.307CS..  trans-77.782174.8-64.50000110.5V778 L781 L801 G802 L806 L807V778-C804 PolarHBondContact O-SG 3.41Å; L781-C804 PolarHBondContact O-SG 3.42Å; L781-C804 VanDerWaalsContact O-SG 3.37Å; L801-C804 WeakPolarHBondContact O-CB 3.49Å; L801-C804 PolarHBondContact O-N 3.02Å; G802-C804 VanDerWaalsContact C-N 3.33Å; C804-L806 PolarHBondContact O-N 2.77Å; C804-L806 VanDerWaalsContact O-N 3.07Å; C804-L807 HydrophobicContact CB-CB 3.8Å; C804-L807 HydrophobicContact CB-CD2 4.32Å; C804-L807 WeakPolarHBondContact O-CB 3.45Å; C804-L807 PolarHBondContact O-N 3.37Å
805R83.1Confident88.4Confident208 Ų20864.3 Ų64.379%0.78531%0.314SS*.THydrogen-bonded Turntrans-59.8-22.6-172.1-60-174.6-178.2-161.5-0.7115.5S803S803-R805 PolarHBondContact O-N 3.16Å
806L88.6Confident88.4Confident71 Ų7164.1 Ų64.137%0.37231%0.312SS..THydrogen-bonded Turntrans-94.2-8.2179.4-60.6-174.7000113.4L784 T785 C804 R808L784-L806 CarbonylContact O-C 3.57Å; L784-L806 VanDerWaalsContact O-C 3.25Å; T785-L806 HydrophobicContact CG2-CB 4.13Å; C804-L806 PolarHBondContact O-N 2.77Å; C804-L806 VanDerWaalsContact O-N 3.07Å; L806-R808 PolarHBondContact O-N 3.36Å
807L87.6Confident88.4Confident4 Ų460.7 Ų60.72%0.02131%0.305CS..  trans-79.5114.6-179.3-173.866.1000109.2L784 L787 L801 C804 L812L784-L807 WeakPolarHBondContact O-CA 3.38Å; L784-L807 PolarHBondContact O-N 3.07Å; L784-L807 VanDerWaalsContact O-N 3.08Å; L787-L807 HydrophobicContact CB-CD1 4.04Å; L787-L807 HydrophobicContact CB-CD2 4.49Å; L801-L807 HydrophobicContact CD2-CD2 4.12Å; C804-L807 HydrophobicContact CB-CB 3.8Å; C804-L807 HydrophobicContact CB-CD2 4.32Å; C804-L807 WeakPolarHBondContact O-CB 3.45Å; C804-L807 PolarHBondContact O-N 3.37Å; L807-L812 HydrophobicContact CD1-CB 4.4Å; L807-L812 HydrophobicContact CD2-CB 4.47Å; L807-L812 HydrophobicContact CD2-CD1 4.4Å; L807-L812 HydrophobicContact CG-CB 4.4Å
808R87.4Confident88.3Confident85 Ų8560.3 Ų60.332%0.32130%0.303SS..  trans-103.1164.8178.4-55.9-61179.1163.70.6110.6L806 N810 G811 L812 I830 R832 T834L806-R808 PolarHBondContact O-N 3.36Å; R808-N810 VanDerWaalsContact C-N 3.27Å; R808-N810 PolarHBondContact O-N 3.5Å; R808-G811 WeakPolarHBondContact O-CA 3.37Å; R808-G811 PolarHBondContact O-N 2.92Å; R808-L812 PolarHBondContact O-N 2.81Å; R808-L812 VanDerWaalsContact O-N 3.07Å; R808-I830 CarbonylContact C-O 3.45Å; R808-R832 PolarHBondContact NH1-O 3.28Å; R808-T834 PolarHBondContact NH1-OG1 3.19Å; R808-T834 PolarHBondContact NH2-OG1 3.08Å
809K84.6Confident88.1Confident126 Ų12661.3 Ų61.355%0.54831%0.305SS..G310 helixtrans-50.7-44.8175.2-171.4178.7179.3-178.80112.7G811 L812 I830K809-G811 PolarHBondContact O-N 3.5Å; K809-L812 PolarHBondContact O-N 3.34Å; K809-I830 HydrophobicContact CB-CG2 4.39Å; K809-I830 PolarHBondContact N-O 2.87Å
810N85.2Confident88.1Confident144 Ų14462.6 Ų62.677%0.7731%0.31SS*.G310 helixtrans-66.4-21.2178.6-65.3-2.8000113.6R808R808-N810 VanDerWaalsContact C-N 3.27Å; R808-N810 PolarHBondContact O-N 3.5Å
811G86.8Confident87.9Confident8 Ų863.3 Ų63.38%0.08232%0.318CS..G310 helixtrans-92.5-20.2178.300000113.9T785 Q786 L787 R808 K809 I813T785-G811 WeakPolarHBondContact O-CA 3.39Å; Q786-G811 CarbonylContact C-O 3.6Å; Q786-G811 VanDerWaalsContact CA-O 3.3Å; Q786-G811 WeakPolarHBondContact CA-O 3.15Å; L787-G811 PolarHBondContact N-O 2.85Å; R808-G811 WeakPolarHBondContact O-CA 3.37Å; R808-G811 PolarHBondContact O-N 2.92Å; K809-G811 PolarHBondContact O-N 3.5Å; G811-I813 PolarHBondContact O-N 3.33Å
812L91.4Very high87.9Confident12 Ų1263.5 Ų63.56%0.06332%0.319CS..EExtended strand (participates in β ladder)trans-91.496.6176.4179.960.8000109.9L787 L807 R808 K809 V814 F819 L822 I830L787-L812 HydrophobicContact CB-CD1 4.18Å; L787-L812 HydrophobicContact CD2-CD1 4.03Å; L787-L812 HydrophobicContact CG-CD1 4.19Å; L787-L812 WeakPolarHBondContact O-CA 3.21Å; L807-L812 HydrophobicContact CD1-CB 4.4Å; L807-L812 HydrophobicContact CD2-CB 4.47Å; L807-L812 HydrophobicContact CD2-CD1 4.4Å; L807-L812 HydrophobicContact CG-CB 4.4Å; R808-L812 PolarHBondContact O-N 2.81Å; R808-L812 VanDerWaalsContact O-N 3.07Å; K809-L812 PolarHBondContact O-N 3.34Å; L812-V814 HydrophobicContact CD1-CG1 4.46Å; L812-V814 HydrophobicContact CD2-CG1 4.41Å; L812-V814 HydrophobicContact CG-CG1 4.04Å; L812-V814 PolarHBondContact O-N 2.91Å; L812-F819 HydrophobicContact CD2-CD2 3.9Å; L812-F819 HydrophobicContact CD2-CE2 4Å; L812-L822 HydrophobicContact CD2-CD1 4.47Å; L812-I830 HydrophobicContact CD2-CD1 4.21Å
813I92.9Very high88.1Confident59 Ų5964.5 Ų64.530%0.30332%0.321SS..EExtended strand (participates in β ladder)trans-96.296.9-178.8-54169.2000108.3L787 E788 L789 R790 G811L787-I813 PolarHBondContact O-N 2.04Å; E788-I813 HydrophobicContact CB-CB 4.15Å; E788-I813 HydrophobicContact CB-CD1 4.35Å; E788-I813 HydrophobicContact CG-CB 4.05Å; E788-I813 HydrophobicContact CG-CD1 4.42Å; E788-I813 HydrophobicContact CG-CG2 4.08Å; L789-I813 PolarHBondContact N-O 2.98Å; R790-I813 HydrophobicContact CB-CG2 4.39Å; R790-I813 PolarHBondContact N-O 3.41Å; G811-I813 PolarHBondContact O-N 3.33Å
814V92.9Very high88Confident19 Ų1965.7 Ų65.712%0.11533%0.325CS..  trans-142.5163.2-178.768.80000109.7L789 L797 L812 L818 F819L789-V814 HydrophobicContact CB-CB 4.46Å; L789-V814 HydrophobicContact CB-CG2 4.18Å; L797-V814 HydrophobicContact CD1-CG1 4.18Å; L797-V814 HydrophobicContact CD1-CG2 4.18Å; L797-V814 HydrophobicContact CD2-CG2 4.39Å; L812-V814 HydrophobicContact CD1-CG1 4.46Å; L812-V814 HydrophobicContact CD2-CG1 4.41Å; L812-V814 HydrophobicContact CG-CG1 4.04Å; L812-V814 PolarHBondContact O-N 2.91Å; V814-L818 HydrophobicContact CG2-CB 3.75Å; V814-L818 HydrophobicContact CG2-CD1 3.94Å; V814-F819 HydrophobicContact CG1-CB 4.05Å; V814-F819 HydrophobicContact CG1-CD2 4.41Å
815E91.4Very high87.8Confident41 Ų4172.1 Ų72.119%0.19236%0.355CS..  trans-63.5143.9172.2-63.883.2175.600112.2G791 H817 L818 F819G791-E815 PolarHBondContact N-OE1 3.27Å; E815-H817 VanDerWaalsContact C-N 3.32Å; E815-H817 WeakPolarHBondContact CB-CE1 3.49Å; E815-H817 WeakPolarHBondContact CB-ND1 3.48Å; E815-H817 PolarHBondContact O-N 3.44Å; E815-L818 HydrophobicContact CB-CD1 4.45Å; E815-L818 WeakPolarHBondContact O-CB 3.41Å; E815-L818 PolarHBondContact O-N 2.87Å; E815-F819 PolarHBondContact O-N 2.97Å; E815-F819 VanDerWaalsContact O-N 3.1Å
816D88.1Confident87.9Confident135 Ų13563 Ų6372%0.72232%0.323SS*.Hα-helixtrans-57.6-42.8-175.5-61.8-36.4000112.7L818 F819 D820D816-L818 PolarHBondContact O-N 3.43Å; D816-F819 WeakPolarHBondContact O-CB 3.4Å; D816-F819 PolarHBondContact O-N 3.08Å; D816-F819 VanDerWaalsContact O-N 3.14Å; D816-D820 PolarHBondContact O-N 2.98Å
817H88.8Confident87.7Confident124 Ų12462 Ų6257%0.57432%0.315SS*.Hα-helixtrans-61.6-30.817969.9-83.7000113.1E815 T821E815-H817 VanDerWaalsContact C-N 3.32Å; E815-H817 WeakPolarHBondContact CB-CE1 3.49Å; E815-H817 WeakPolarHBondContact CB-ND1 3.48Å; E815-H817 PolarHBondContact O-N 3.44Å; H817-T821 WeakPolarHBondContact O-CG2 3.35Å
818L87.6Confident87.5Confident1 Ų166.4 Ų66.41%0.00534%0.336CS..Hα-helixtrans-78.5-37.8176.3-83.2166.8000111.7L794 L797 V814 E815 D816 D820 T821L794-L818 HydrophobicContact CB-CD1 3.87Å; L794-L818 HydrophobicContact CB-CD2 4.09Å; L794-L818 VanDerWaalsContact O-CD2 3.29Å; L794-L818 WeakPolarHBondContact O-CD2 3.44Å; L797-L818 HydrophobicContact CD1-CB 4.35Å; L797-L818 HydrophobicContact CG-CB 4.33Å; V814-L818 HydrophobicContact CG2-CB 3.75Å; V814-L818 HydrophobicContact CG2-CD1 3.94Å; E815-L818 HydrophobicContact CB-CD1 4.45Å; E815-L818 WeakPolarHBondContact O-CB 3.41Å; E815-L818 PolarHBondContact O-N 2.87Å; D816-L818 PolarHBondContact O-N 3.43Å; L818-D820 PolarHBondContact O-N 3.46Å; L818-T821 WeakPolarHBondContact O-CB 3.38Å; L818-T821 PolarHBondContact O-N 3.05Å; L818-T821 PolarHBondContact O-OG1 3.27Å
819F88.1Confident87.2Confident36 Ų3664.6 Ų64.616%0.15834%0.336CS..Hα-helixtrans-59.3-38.5173.1-173.4-95.6000111.2L812 V814 E815 D816 T821 L822 K827 I830L812-F819 HydrophobicContact CD2-CD2 3.9Å; L812-F819 HydrophobicContact CD2-CE2 4Å; V814-F819 HydrophobicContact CG1-CB 4.05Å; V814-F819 HydrophobicContact CG1-CD2 4.41Å; E815-F819 PolarHBondContact O-N 2.97Å; E815-F819 VanDerWaalsContact O-N 3.1Å; D816-F819 WeakPolarHBondContact O-CB 3.4Å; D816-F819 PolarHBondContact O-N 3.08Å; D816-F819 VanDerWaalsContact O-N 3.14Å; F819-T821 VanDerWaalsContact C-N 3.26Å; F819-T821 PolarHBondContact O-N 3.24Å; F819-L822 HydrophobicContact CD2-CD1 4.27Å; F819-L822 HydrophobicContact CE2-CD1 4.44Å; F819-L822 WeakPolarHBondContact O-CB 3.35Å; F819-L822 PolarHBondContact O-N 3.4Å; F819-K827 HydrophobicContact CD1-CD 4.24Å; F819-K827 HydrophobicContact CE1-CB 4.38Å; F819-K827 HydrophobicContact CE1-CD 3.95Å; F819-K827 HydrophobicContact CE1-CG 3.94Å; F819-K827 HydrophobicContact CZ-CB 4.37Å; F819-K827 HydrophobicContact CZ-CG 4.11Å; F819-I830 HydrophobicContact CE2-CG2 4.42Å
820D87Confident87.1Confident103 Ų10358.7 Ų58.755%0.55131%0.311SS*.Hα-helixtrans-64.2-27.2178.7-74.6-28.5000113.9D816 L818 L822 K827D816-D820 PolarHBondContact O-N 2.98Å; L818-D820 PolarHBondContact O-N 3.46Å; D820-L822 PolarHBondContact O-N 3.07Å; D820-K827 PolarHBondContact O-NZ 3.35Å
821T87.5Confident86.8Confident65 Ų6554.7 Ų54.740%0.39929%0.294SS..THydrogen-bonded Turntrans-65.5-16.5176.770.20000114L797 H817 L818 F819L797-T821 PolarHBondContact N-OG1 3.24Å; H817-T821 WeakPolarHBondContact O-CG2 3.35Å; L818-T821 WeakPolarHBondContact O-CB 3.38Å; L818-T821 PolarHBondContact O-N 3.05Å; L818-T821 PolarHBondContact O-OG1 3.27Å; F819-T821 VanDerWaalsContact C-N 3.26Å; F819-T821 PolarHBondContact O-N 3.24Å
822L87.9Confident85.9Confident4 Ų461.5 Ų61.52%0.02132%0.317CS..SBendtrans-72.1144.6178.2-71169.5000111.6L797 L801 L812 F819 D820 V826 K827 I830L797-L822 HydrophobicContact CB-CD2 3.68Å; L797-L822 HydrophobicContact CB-CG 4Å; L797-L822 HydrophobicContact CD1-CD1 3.97Å; L797-L822 HydrophobicContact CD1-CG 4.17Å; L801-L822 HydrophobicContact CD1-CD2 4.43Å; L812-L822 HydrophobicContact CD2-CD1 4.47Å; F819-L822 HydrophobicContact CD2-CD1 4.27Å; F819-L822 HydrophobicContact CE2-CD1 4.44Å; F819-L822 WeakPolarHBondContact O-CB 3.35Å; F819-L822 PolarHBondContact O-N 3.4Å; D820-L822 PolarHBondContact O-N 3.07Å; L822-V826 HydrophobicContact CD1-CG1 4.4Å; L822-V826 HydrophobicContact CD2-CG1 4.22Å; L822-K827 HydrophobicContact CB-CD 4.33Å; L822-K827 HydrophobicContact CB-CG 3.79Å; L822-K827 WeakPolarHBondContact O-CE 3.39Å; L822-K827 PolarHBondContact O-NZ 2.84Å; L822-I830 HydrophobicContact CD1-CD1 4.4Å
823P88.8Confident84.1Confident43 Ų4368.6 Ų68.628%0.27935%0.35SS..  trans-56.8151.1171.6-22.331.9000112.1V799 E825 V826 K827V799-P823 HydrophobicContact CB-CG 4.24Å; V799-P823 HydrophobicContact CG1-CG 3.49Å; V799-P823 VanDerWaalsContact CG1-CG 3.49Å; P823-E825 VanDerWaalsContact CB-OE2 3.28Å; P823-E825 WeakPolarHBondContact CB-OE2 3.4Å; P823-E825 PolarHBondContact O-N 3.02Å; P823-V826 HydrophobicContact CB-CG2 4.37Å; P823-V826 HydrophobicContact CG-CG2 4.37Å; P823-V826 PolarHBondContact O-N 2.92Å; P823-V826 VanDerWaalsContact O-N 3.09Å; P823-K827 PolarHBondContact O-N 3.15Å
824V85.1Confident81.8Confident87 Ų8769.7 Ų69.753%0.52736%0.359SS..Hα-helixtrans-58.6-38.5-176.5-177.80000111V826 K827 E828V824-V826 VanDerWaalsContact C-N 3.3Å; V824-V826 PolarHBondContact O-N 2.91Å; V824-K827 PolarHBondContact O-N 3.02Å; V824-E828 HydrophobicContact CG1-CG 4.46Å; V824-E828 WeakPolarHBondContact O-CG 3.31Å; V824-E828 PolarHBondContact O-N 2.85Å
825E83.9Confident79.1Confident140 Ų14076.2 Ų76.265%0.65439%0.394SS*.Hα-helixtrans-62.7-37.8179.6-55.676.6-166.100112P823 S829P823-E825 VanDerWaalsContact CB-OE2 3.28Å; P823-E825 WeakPolarHBondContact CB-OE2 3.4Å; P823-E825 PolarHBondContact O-N 3.02Å; E825-S829 WeakPolarHBondContact O-CB 3.35Å; E825-S829 PolarHBondContact O-N 2.83Å
826V84.1Confident76.5Confident17 Ų1779.3 Ų79.310%0.10342%0.415CS..Hα-helixtrans-75.7-41.6179.1178.60000110.3L822 P823 V824 E828 S829 I830L822-V826 HydrophobicContact CD1-CG1 4.4Å; L822-V826 HydrophobicContact CD2-CG1 4.22Å; P823-V826 HydrophobicContact CB-CG2 4.37Å; P823-V826 HydrophobicContact CG-CG2 4.37Å; P823-V826 PolarHBondContact O-N 2.92Å; P823-V826 VanDerWaalsContact O-N 3.09Å; V824-V826 VanDerWaalsContact C-N 3.3Å; V824-V826 PolarHBondContact O-N 2.91Å; V826-E828 PolarHBondContact O-N 2.89Å; V826-S829 WeakPolarHBondContact O-CB 3.14Å; V826-S829 PolarHBondContact O-N 2.81Å; V826-I830 HydrophobicContact CG1-CD1 3.77Å; V826-I830 HydrophobicContact CG1-CG1 4.43Å; V826-I830 WeakPolarHBondContact O-CG1 2.99Å; V826-I830 PolarHBondContact O-N 3.26Å
827K85.1Confident73.7Confident48 Ų4877.8 Ų77.821%0.20942%0.415CS..Hα-helixtrans-58.8-47.9175.4-71.6-172.4-70.2-154.90111F819 D820 L822 P823 V824 S829 I830 S831F819-K827 HydrophobicContact CD1-CD 4.24Å; F819-K827 HydrophobicContact CE1-CB 4.38Å; F819-K827 HydrophobicContact CE1-CD 3.95Å; F819-K827 HydrophobicContact CE1-CG 3.94Å; F819-K827 HydrophobicContact CZ-CB 4.37Å; F819-K827 HydrophobicContact CZ-CG 4.11Å; D820-K827 PolarHBondContact O-NZ 3.35Å; L822-K827 HydrophobicContact CB-CD 4.33Å; L822-K827 HydrophobicContact CB-CG 3.79Å; L822-K827 WeakPolarHBondContact O-CE 3.39Å; L822-K827 PolarHBondContact O-NZ 2.84Å; P823-K827 PolarHBondContact O-N 3.15Å; V824-K827 PolarHBondContact O-N 3.02Å; K827-S829 PolarHBondContact O-N 2.64Å; K827-I830 PolarHBondContact O-N 3.31Å; K827-S831 VanDerWaalsContact O-CB 3.29Å; K827-S831 WeakPolarHBondContact O-CB 2.96Å; K827-S831 PolarHBondContact O-N 3.16Å; K827-S831 PolarHBondContact O-OG 3Å
828E82.8Confident71.1Confident97 Ų9782 Ų8245%0.45343%0.432SS..Hα-helixtrans-61.4-42175.6-76.4-168.9-176.300112.7V824 V826 I830 S831 R832V824-E828 HydrophobicContact CG1-CG 4.46Å; V824-E828 WeakPolarHBondContact O-CG 3.31Å; V824-E828 PolarHBondContact O-N 2.85Å; V826-E828 PolarHBondContact O-N 2.89Å; E828-I830 VanDerWaalsContact C-N 3.34Å; E828-I830 PolarHBondContact O-N 3.29Å; E828-S831 VanDerWaalsContact CA-OG 3.32Å; E828-S831 WeakPolarHBondContact CA-OG 3.2Å; E828-S831 PolarHBondContact O-N 3.32Å; E828-S831 PolarHBondContact O-OG 3.21Å; E828-R832 VanDerWaalsContact O-CG 3.26Å; E828-R832 WeakPolarHBondContact O-CG 3.47Å; E828-R832 PolarHBondContact O-N 2.99Å; E828-R832 IonicContact OE2-NH2 3.67Å
829S81.4Confident68.5Low47 Ų4787 Ų8733%0.32947%0.467SS..Hα-helixtrans-59.5-44.5176.9178.60000112E825 V826 K827E825-S829 WeakPolarHBondContact O-CB 3.35Å; E825-S829 PolarHBondContact O-N 2.83Å; V826-S829 WeakPolarHBondContact O-CB 3.14Å; V826-S829 PolarHBondContact O-N 2.81Å; K827-S829 PolarHBondContact O-N 2.64Å
830I81.9Confident66Low3 Ų388.7 Ų88.72%0.01550%0.495CS..Hα-helixtrans-75.4-31-178.8-66.1172.3000111.3R808 K809 L812 F819 L822 V826 K827 E828R808-I830 CarbonylContact C-O 3.45Å; K809-I830 HydrophobicContact CB-CG2 4.39Å; K809-I830 PolarHBondContact N-O 2.87Å; L812-I830 HydrophobicContact CD2-CD1 4.21Å; F819-I830 HydrophobicContact CE2-CG2 4.42Å; L822-I830 HydrophobicContact CD1-CD1 4.4Å; V826-I830 HydrophobicContact CG1-CD1 3.77Å; V826-I830 HydrophobicContact CG1-CG1 4.43Å; V826-I830 WeakPolarHBondContact O-CG1 2.99Å; V826-I830 PolarHBondContact O-N 3.26Å; K827-I830 PolarHBondContact O-N 3.31Å; E828-I830 VanDerWaalsContact C-N 3.34Å; E828-I830 PolarHBondContact O-N 3.29Å
831S78.4Confident63.3Low59 Ų5995.9 Ų95.941%0.41353%0.532SS..Hα-helixtrans-85.1-10.2178.866.60000114.5K827 E828 E833K827-S831 VanDerWaalsContact O-CB 3.29Å; K827-S831 WeakPolarHBondContact O-CB 2.96Å; K827-S831 PolarHBondContact O-N 3.16Å; K827-S831 PolarHBondContact O-OG 3Å; E828-S831 VanDerWaalsContact CA-OG 3.32Å; E828-S831 WeakPolarHBondContact CA-OG 3.2Å; E828-S831 PolarHBondContact O-N 3.32Å; E828-S831 PolarHBondContact O-OG 3.21Å; S831-E833 PolarHBondContact O-N 3.01Å; S831-E833 VanDerWaalsContact O-N 3.1Å
832R68.7Low62.1Low151 Ų15197.5 Ų97.557%0.5754%0.539SS*.  trans-65.5109.8174.4-87.1169.9-169161.49.1110.1R808 E828 T834R808-R832 PolarHBondContact NH1-O 3.28Å; E828-R832 VanDerWaalsContact O-CG 3.26Å; E828-R832 WeakPolarHBondContact O-CG 3.47Å; E828-R832 PolarHBondContact O-N 2.99Å; E828-R832 IonicContact OE2-NH2 3.67Å; R832-T834 PolarHBondContact O-N 3.49Å
833E52.9Low60.8Low162 Ų162102.4 Ų102.476%0.75757%0.566SS**  trans-75.997161.2-70.6-178171.100108.3S831 N835S831-E833 PolarHBondContact O-N 3.01Å; S831-E833 VanDerWaalsContact O-N 3.1Å; E833-N835 PolarHBondContact O-N 2.98Å; E833-N835 VanDerWaalsContact O-N 3.16Å
834T46.1Very low59.2Low82 Ų82105.7 Ų105.750%0.50358%0.582SS.*  trans-77.7101.1166.748.30000108.1R808 R832 V836R808-T834 PolarHBondContact NH1-OG1 3.19Å; R808-T834 PolarHBondContact NH2-OG1 3.08Å; R832-T834 PolarHBondContact O-N 3.49Å; T834-V836 PolarHBondContact O-N 3.23Å
835N35.9Very low57.7Low156 Ų156106.8 Ų106.883%0.83459%0.585SS**  trans-61.472161-85.3-22.1000110.2E833E833-N835 PolarHBondContact O-N 2.98Å; E833-N835 VanDerWaalsContact O-N 3.16Å
836V36.8Very low56.1Low106 Ų106104.7 Ų104.764%0.64258%0.581SS**  trans-103.890165.5-175.40000107T834 F838T834-V836 PolarHBondContact O-N 3.23Å; V836-F838 PolarHBondContact O-N 3.42Å
837S28.8Very low54.2Low102 Ų102110.5 Ų110.571%0.71361%0.612SS**  trans-52.1111.9156.147.90000108.7S839S837-S839 VanDerWaalsContact C-N 3.32Å; S837-S839 PolarHBondContact O-N 3.33Å
838F33.7Very low52Low212 Ų212115 Ų11593%0.9364%0.641SS**  trans-68.594.3163.3-99.9-90.7000107.9V836V836-F838 PolarHBondContact O-N 3.42Å
839S32.7Very low49.6Very low106 Ų106116.4 Ų116.474%0.74166%0.656SS**  trans-90.4113.6162.354.30000109.2S837S837-S839 VanDerWaalsContact C-N 3.32Å; S837-S839 PolarHBondContact O-N 3.33Å
840G37.4Very low47Very low72 Ų72122.2 Ų122.274%0.74268%0.683SS**  trans78.5104.5150.300000118.4
841L30.3Very low43.8Very low255 Ų255133 Ų133100%1.33574%0.744SS**  -160.50120.6-106.2156.9000110

Retrieved 841 of 841 residues in 1812.9 ms (Link to these results)

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