A0A087X2Q4_POEFO Loading...

DBB domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X2Q4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 602 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
1K31.7Very low59.1Low262 Ų26298.3 Ų98.3100%1.13956%0.558SS**  0137.30-73.9-176.7173.3-176.30107.4
2L31.5Very low62.1Low186 Ų18690.1 Ų90.197%0.97451%0.511SS*.  trans-80.5133.3171.9-71.2152.2000108.5
3S36.7Very low64.6Low123 Ų12383.2 Ų83.286%0.8647%0.472SS*.  trans-134.3100.1174.754.30000107.9
4G38.8Very low66.6Low78 Ų7879.1 Ų79.180%0.80445%0.446SS*.  trans171.227.7-169.500000114.7
5I44Very low68.4Low139 Ų13975 Ų7571%0.71342%0.421SS*.  trans-110.6125.4165.1-58.5176000105.1T7I5-T7 PolarHBondContact O-N 2.89Å
6P51.9Low69.6Low89 Ų8975.6 Ų75.658%0.57843%0.427SS*.  trans-64131.3173.626.9-33000109.7
7T61.9Low70.7Confident92 Ų9275 Ų7556%0.56442%0.42SS*.SBendtrans-70.8-41.9171.8430000110.5I5 K9 G37I5-T7 PolarHBondContact O-N 2.89Å; T7-K9 PolarHBondContact O-N 3.19Å; T7-G37 WeakPolarHBondContact O-CA 3.43Å
8E79.8Confident71.8Confident47 Ų4770.9 Ų70.922%0.2240%0.397CS..  trans-59.387.9179.7-62.8153.9-153.400112.6R57 Y58 A59E8-R57 WeakPolarHBondContact OE2-CB 3.5Å; E8-R57 WeakPolarHBondContact OE2-CD 3.26Å; E8-Y58 HydrophobicContact CB-CD1 3.97Å; E8-Y58 HydrophobicContact CB-CD2 4.29Å; E8-Y58 HydrophobicContact CB-CE1 3.97Å; E8-Y58 HydrophobicContact CB-CE2 4.26Å; E8-Y58 HydrophobicContact CB-CG 4.14Å; E8-Y58 HydrophobicContact CG-CE1 4.3Å; E8-Y58 HydrophobicContact CG-CE2 4.13Å; E8-A59 PolarHBondContact O-N 3.18Å
9K86.9Confident72.9Confident65 Ų6572.9 Ų72.928%0.28340%0.401SS..  trans-106.8-49.8-175.1-77.3-173.6175.5-172.40114.5T7 I33 G37 A59 C60 I135T7-K9 PolarHBondContact O-N 3.19Å; K9-I33 HydrophobicContact CB-CG2 3.87Å; K9-I33 HydrophobicContact CD-CG2 4.08Å; K9-G37 PolarHBondContact N-O 2.79Å; K9-A59 PolarHBondContact O-N 2.78Å; K9-C60 PolarHBondContact O-N 2.82Å; K9-I135 HydrophobicContact CB-CD1 4.48Å
10L92.6Very high73.8Confident0 Ų076.7 Ų76.70%042%0.416CS..EExtended strand (participates in β ladder)trans-128.9128.8-179.117761.5000111.2I12 F29 I33 G37 I38 C39 Y58 C60 L62 V131L10-I12 HydrophobicContact CD2-CD1 4.12Å; L10-I12 HydrophobicContact CD2-CG1 4.01Å; L10-I12 HydrophobicContact CG-CG1 4Å; L10-F29 HydrophobicContact CD2-CB 4.18Å; L10-F29 HydrophobicContact CD2-CD1 4.28Å; L10-F29 HydrophobicContact CD2-CD2 3.24Å; L10-F29 HydrophobicContact CD2-CE2 3.59Å; L10-F29 HydrophobicContact CD2-CG 3.66Å; L10-F29 HydrophobicContact CD2-CZ 4.25Å; L10-I33 HydrophobicContact CB-CD1 3.84Å; L10-I33 HydrophobicContact CD2-CD1 4.05Å; L10-G37 PolarHBondContact N-O 3.11Å; L10-I38 HydrophobicContact CD2-CG2 4.22Å; L10-I38 HydrophobicContact CG-CG2 4.47Å; L10-I38 WeakPolarHBondContact O-CA 3.36Å; L10-C39 PolarHBondContact O-N 3.22Å; L10-Y58 VanDerWaalsContact C-CD1 3.41Å; L10-Y58 WeakPolarHBondContact O-CD1 3.48Å; L10-C60 HydrophobicContact CD1-CB 4.15Å; L10-L62 HydrophobicContact CD1-CB 4.01Å; L10-V131 HydrophobicContact CD1-CG1 3.77Å; L10-V131 HydrophobicContact CD2-CG1 4.12Å; L10-V131 HydrophobicContact CG-CG1 4.45Å
11L94.1Very high74.7Confident0 Ų073.5 Ų73.50%040%0.398CS..EExtended strand (participates in β ladder)trans-108.9125.2166.3172.261.5000109.5I13 C39 L55 Y58 C60 K61 L62 V84L11-I13 HydrophobicContact CD1-CG1 4.36Å; L11-I13 HydrophobicContact CD2-CD1 3.95Å; L11-I13 HydrophobicContact CD2-CG1 3.92Å; L11-I13 HydrophobicContact CG-CD1 4.34Å; L11-I13 HydrophobicContact CG-CG1 3.78Å; L11-C39 CarbonylContact C-O 3.5Å; L11-C39 HydrophobicContact CD1-CB 3.93Å; L11-L55 HydrophobicContact CD1-CD2 3.67Å; L11-L55 HydrophobicContact CD2-CB 3.72Å; L11-L55 HydrophobicContact CD2-CD2 3.85Å; L11-L55 HydrophobicContact CD2-CG 4.33Å; L11-L55 WeakPolarHBondContact CD2-O 3.41Å; L11-L55 HydrophobicContact CG-CD2 4.43Å; L11-Y58 HydrophobicContact CB-CD1 4.06Å; L11-Y58 HydrophobicContact CB-CD2 4.16Å; L11-Y58 HydrophobicContact CB-CG 3.74Å; L11-C60 PolarHBondContact N-O 2.83Å; L11-K61 HydrophobicContact CB-CG 4.44Å; L11-K61 HydrophobicContact CD2-CG 4.28Å; L11-K61 CarbonylContact O-C 3.54Å; L11-K61 WeakPolarHBondContact O-CA 3.47Å; L11-L62 PolarHBondContact O-N 2.76Å; L11-V84 HydrophobicContact CD2-CG1 3.52Å
12I94.9Very high77.6Confident0 Ų061 Ų610%034%0.344CS..EExtended strand (participates in β ladder)trans-104.7114.4173.4-52.9-178.5000108.2L10 A22 L25 Q26 F29 I38 C39 C40 Y41 L62 I64L10-I12 HydrophobicContact CD2-CD1 4.12Å; L10-I12 HydrophobicContact CD2-CG1 4.01Å; L10-I12 HydrophobicContact CG-CG1 4Å; I12-A22 HydrophobicContact CG2-CB 4.19Å; I12-L25 HydrophobicContact CD1-CB 4.03Å; I12-Q26 HydrophobicContact CD1-CB 4.38Å; I12-F29 HydrophobicContact CD1-CD2 4.11Å; I12-F29 HydrophobicContact CD1-CE2 4.26Å; I12-I38 HydrophobicContact CD1-CG2 4Å; I12-I38 HydrophobicContact CG1-CG2 4.36Å; I12-C39 PolarHBondContact N-O 3.1Å; I12-C40 CarbonylContact O-C 3.59Å; I12-C40 WeakPolarHBondContact O-CA 2.96Å; I12-Y41 PolarHBondContact O-N 2.8Å; I12-L62 CarbonylContact C-O 3.58Å; I12-L62 WeakPolarHBondContact CA-O 3.33Å; I12-L62 HydrophobicContact CG1-CD2 4.49Å; I12-I64 HydrophobicContact CG2-CD1 3.91Å; I12-I64 HydrophobicContact CG2-CG1 4.26Å
13I94.4Very high80.5Confident0 Ų055.8 Ų55.80%032%0.32CS..EExtended strand (participates in β ladder)trans-103.5126.6-179-50.9-179.5000109.1L11 Y41 L62 L63 I64 L81 V84 L85L11-I13 HydrophobicContact CD1-CG1 4.36Å; L11-I13 HydrophobicContact CD2-CD1 3.95Å; L11-I13 HydrophobicContact CD2-CG1 3.92Å; L11-I13 HydrophobicContact CG-CD1 4.34Å; L11-I13 HydrophobicContact CG-CG1 3.78Å; I13-Y41 WeakPolarHBondContact CA-O 3.27Å; I13-Y41 HydrophobicContact CG2-CD1 4.5Å; I13-L62 PolarHBondContact N-O 2.83Å; I13-L63 HydrophobicContact CB-CD1 3.87Å; I13-L63 HydrophobicContact CG2-CD1 3.8Å; I13-I64 PolarHBondContact O-N 3Å; I13-L81 HydrophobicContact CD1-CD2 4.49Å; I13-L81 HydrophobicContact CG2-CD2 4.02Å; I13-V84 HydrophobicContact CD1-CB 4.35Å; I13-V84 HydrophobicContact CD1-CG1 3.57Å; I13-L85 HydrophobicContact CD1-CD2 3.86Å; I13-L85 HydrophobicContact CD1-CG 4.5Å
14Y93.8Very high83.2Confident27 Ų2751.3 Ų51.311%0.10628%0.284CS..EExtended strand (participates in β ladder)trans-141.7171.1-174.170.8-81.6000113.1K19 A22 C40 Y41 D42 V43Y14-K19 HydrophobicContact CD2-CB 4.05Å; Y14-K19 HydrophobicContact CD2-CG 4.44Å; Y14-K19 HydrophobicContact CE2-CB 3.79Å; Y14-K19 HydrophobicContact CE2-CD 4.18Å; Y14-K19 HydrophobicContact CE2-CG 3.72Å; Y14-A22 HydrophobicContact CD1-CB 3.6Å; Y14-A22 HydrophobicContact CD2-CB 4Å; Y14-A22 HydrophobicContact CE1-CB 4.05Å; Y14-A22 HydrophobicContact CE2-CB 4.43Å; Y14-A22 HydrophobicContact CG-CB 3.57Å; Y14-C40 HydrophobicContact CE1-CB 3.98Å; Y14-Y41 WeakPolarHBondContact CD1-O 3.34Å; Y14-Y41 VanDerWaalsContact CE1-C 3.46Å; Y14-Y41 PolarHBondContact N-O 2.66Å; Y14-D42 HydrophobicContact CD2-CB 4.47Å; Y14-D42 HydrophobicContact CE1-CB 4.2Å; Y14-D42 HydrophobicContact CE2-CB 3.9Å; Y14-D42 WeakPolarHBondContact O-CA 3.46Å; Y14-V43 WeakPolarHBondContact O-CG1 3.3Å; Y14-V43 PolarHBondContact O-N 2.83Å
15E92.4Very high85.8Confident17 Ų1747.7 Ų47.78%0.07925%0.246CC..  trans-118.2158.2171.7-163.4-65.8115.700107.3E17 A18 K19 V43 N44 M69E15-E17 PolarHBondContact O-N 2.91Å; E15-E17 VanDerWaalsContact O-N 3.11Å; E15-E17 VanDerWaalsContact OE2-CB 3.25Å; E15-E17 WeakPolarHBondContact OE2-CB 3.11Å; E15-E17 PolarHBondContact OE2-N 3.35Å; E15-A18 CarbonylContact O-C 3.48Å; E15-A18 WeakPolarHBondContact O-CA 3.24Å; E15-A18 WeakPolarHBondContact O-CB 3.45Å; E15-A18 PolarHBondContact O-N 2.95Å; E15-K19 PolarHBondContact O-N 3.36Å; E15-V43 HydrophobicContact CB-CG1 4.05Å; E15-V43 HydrophobicContact CG-CG1 4Å; E15-N44 PolarHBondContact OE1-ND2 2.76Å; E15-M69 HydrophobicContact CB-CB 4.21Å; E15-M69 HydrophobicContact CB-CE 3.95Å; E15-M69 HydrophobicContact CB-SD 4.48Å
16T87.6Confident88.1Confident84 Ų8444.2 Ų44.252%0.51523%0.227SC..G310 helixtrans-50.5-35.8-176.960.30000114.9K19 D42T16-K19 VanDerWaalsContact O-CB 3.31Å; T16-K19 WeakPolarHBondContact O-CB 3.33Å; T16-K19 PolarHBondContact O-N 2.9Å; T16-D42 WeakPolarHBondContact CG2-OD2 3.27Å
17E88.6Confident89.9Confident66 Ų6643.9 Ų43.931%0.30823%0.227SC..G310 helixtrans-57.1-46.6171-177.6-168.4-169.900111.8E15 K19 S66 K67 G68 T477E15-E17 PolarHBondContact O-N 2.91Å; E15-E17 VanDerWaalsContact O-N 3.11Å; E15-E17 VanDerWaalsContact OE2-CB 3.25Å; E15-E17 WeakPolarHBondContact OE2-CB 3.11Å; E15-E17 PolarHBondContact OE2-N 3.35Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 3.24Å; E17-S66 WeakPolarHBondContact OE2-CB 3.28Å; E17-S66 PolarHBondContact OE2-OG 3.33Å; E17-K67 PolarHBondContact OE2-N 2.86Å; E17-G68 WeakPolarHBondContact OE2-CA 3.43Å; E17-G68 PolarHBondContact OE2-N 2.86Å; E17-T477 HydrophobicContact CG-CG2 3.81Å; E17-T477 VanDerWaalsContact OE1-CB 3.27Å; E17-T477 WeakPolarHBondContact OE1-CB 3.33Å; E17-T477 WeakPolarHBondContact OE1-CG2 3.38Å; E17-T477 PolarHBondContact OE1-OG1 2.83Å
18A91.5Very high91.2Very high1 Ų140.9 Ų40.91%0.00821%0.211CC..G310 helixtrans-81.53.9-176.400000114.2E15 Q20 W21 A22 I64E15-A18 CarbonylContact O-C 3.48Å; E15-A18 WeakPolarHBondContact O-CA 3.24Å; E15-A18 WeakPolarHBondContact O-CB 3.45Å; E15-A18 PolarHBondContact O-N 2.95Å; A18-Q20 VanDerWaalsContact C-N 3.28Å; A18-Q20 PolarHBondContact O-N 3.17Å; A18-W21 WeakPolarHBondContact O-CB 3.15Å; A18-W21 PolarHBondContact O-N 2.96Å; A18-A22 PolarHBondContact O-N 2.99Å; A18-I64 HydrophobicContact CB-CB 4.15Å; A18-I64 HydrophobicContact CB-CG2 3.73Å
19K91.8Very high91.7Very high109 Ų10938.7 Ų38.747%0.47420%0.201SC..Hα-helixtrans-57.9-36.3-174.4-175.1166.9-174.7168.40113.8Y14 E15 T16 E17 A22 T23Y14-K19 HydrophobicContact CD2-CB 4.05Å; Y14-K19 HydrophobicContact CD2-CG 4.44Å; Y14-K19 HydrophobicContact CE2-CB 3.79Å; Y14-K19 HydrophobicContact CE2-CD 4.18Å; Y14-K19 HydrophobicContact CE2-CG 3.72Å; E15-K19 PolarHBondContact O-N 3.36Å; T16-K19 VanDerWaalsContact O-CB 3.31Å; T16-K19 WeakPolarHBondContact O-CB 3.33Å; T16-K19 PolarHBondContact O-N 2.9Å; E17-K19 VanDerWaalsContact C-N 3.27Å; E17-K19 PolarHBondContact O-N 3.24Å; K19-A22 PolarHBondContact O-N 3.02Å; K19-T23 PolarHBondContact O-N 2.95Å; K19-T23 PolarHBondContact O-OG1 2.82Å
20Q91.3Very high91.6Very high149 Ų14938.2 Ų38.270%0.69620%0.204SC*.Hα-helixtrans-66.1-39.6176.8-64.8-174.82.600112A18 T23 Y24A18-Q20 VanDerWaalsContact C-N 3.28Å; A18-Q20 PolarHBondContact O-N 3.17Å; Q20-T23 PolarHBondContact O-N 2.95Å; Q20-Y24 WeakPolarHBondContact O-CB 3.43Å; Q20-Y24 PolarHBondContact O-N 2.91Å
21W93.2Very high90.9Very high9 Ų941.8 Ų41.83%0.03424%0.241CC..Hα-helixtrans-64.5-41.4172.9-86.397.9000111.8A18 T23 Y24 L25 I64 L94 C96 C120 Y127 P473 P474A18-W21 WeakPolarHBondContact O-CB 3.15Å; A18-W21 PolarHBondContact O-N 2.96Å; W21-T23 PolarHBondContact O-N 2.99Å; W21-Y24 HydrophobicContact CE3-CD1 4.12Å; W21-Y24 HydrophobicContact CZ3-CD1 4.2Å; W21-Y24 HydrophobicContact CZ3-CE1 4.32Å; W21-Y24 PolarHBondContact O-N 2.81Å; W21-L25 HydrophobicContact CE3-CD1 4.42Å; W21-L25 HydrophobicContact CE3-CG 4.44Å; W21-L25 VanDerWaalsContact O-CB 3.31Å; W21-L25 WeakPolarHBondContact O-CB 3.47Å; W21-L25 WeakPolarHBondContact O-CD1 3.43Å; W21-L25 WeakPolarHBondContact O-CG 3.46Å; W21-L25 PolarHBondContact O-N 2.87Å; W21-I64 HydrophobicContact CB-CD1 3.97Å; W21-I64 HydrophobicContact CB-CG2 4.33Å; W21-L94 HydrophobicContact CD2-CD2 4.22Å; W21-L94 HydrophobicContact CE3-CD2 3.62Å; W21-L94 HydrophobicContact CZ3-CD2 3.9Å; W21-C96 VanDerWaalsContact CD1-SG 3.54Å; W21-C120 HydrophobicContact CH2-CB 3.71Å; W21-C120 HydrophobicContact CZ2-CB 3.69Å; W21-Y127 HydrophobicContact CZ3-CE2 4.44Å; W21-P473 HydrophobicContact CH2-CB 3.5Å; W21-P473 HydrophobicContact CZ2-CB 4.19Å; W21-P473 HydrophobicContact CZ3-CB 3.92Å; W21-P474 HydrophobicContact CD2-CG 3.74Å; W21-P474 HydrophobicContact CE3-CG 4.32Å; W21-P474 HydrophobicContact CG-CG 3.83Å; W21-P474 HydrophobicContact CZ2-CG 4.37Å; W21-P474 WeakPolarHBondContact CZ2-O 3.37Å
22A92.9Very high90.3Very high1 Ų147.6 Ų47.61%0.00827%0.268CS..Hα-helixtrans-60-44.5176.100000112.3I12 Y14 A18 K19 Q26 I64I12-A22 HydrophobicContact CG2-CB 4.19Å; Y14-A22 HydrophobicContact CD1-CB 3.6Å; Y14-A22 HydrophobicContact CD2-CB 4Å; Y14-A22 HydrophobicContact CE1-CB 4.05Å; Y14-A22 HydrophobicContact CE2-CB 4.43Å; Y14-A22 HydrophobicContact CG-CB 3.57Å; A18-A22 PolarHBondContact O-N 2.99Å; K19-A22 PolarHBondContact O-N 3.02Å; A22-Q26 WeakPolarHBondContact O-CB 3.37Å; A22-Q26 PolarHBondContact O-N 3.29Å; A22-I64 HydrophobicContact CB-CD1 3.86Å
23T92.5Very high89.9Confident75 Ų7547.8 Ų47.846%0.4627%0.269SS..Hα-helixtrans-66.1-44175.8-53.70000112.3K19 Q20 W21 L25 Q26 S27K19-T23 PolarHBondContact O-N 2.95Å; K19-T23 PolarHBondContact O-OG1 2.82Å; Q20-T23 PolarHBondContact O-N 2.95Å; W21-T23 PolarHBondContact O-N 2.99Å; T23-L25 PolarHBondContact O-N 2.85Å; T23-Q26 PolarHBondContact O-N 2.9Å; T23-S27 PolarHBondContact O-N 2.88Å; T23-S27 VanDerWaalsContact O-N 3.07Å; T23-S27 PolarHBondContact O-OG 3.43Å
24Y93.2Very high89.4Confident30 Ų3051.5 Ų51.512%0.11829%0.293CS..Hα-helixtrans-57.9-49.2175.8170.3-105.8000111.9Q20 W21 S27 A28 Y127 N471 P473Q20-Y24 WeakPolarHBondContact O-CB 3.43Å; Q20-Y24 PolarHBondContact O-N 2.91Å; W21-Y24 HydrophobicContact CE3-CD1 4.12Å; W21-Y24 HydrophobicContact CZ3-CD1 4.2Å; W21-Y24 HydrophobicContact CZ3-CE1 4.32Å; W21-Y24 PolarHBondContact O-N 2.81Å; Y24-S27 PolarHBondContact O-N 2.89Å; Y24-A28 WeakPolarHBondContact O-CB 3.31Å; Y24-A28 PolarHBondContact O-N 3.47Å; Y24-Y127 HydrophobicContact CE1-CE2 4.36Å; Y24-N471 WeakPolarHBondContact CE2-O 3.38Å; Y24-N471 PolarHBondContact OH-O 3.1Å; Y24-P473 HydrophobicContact CD1-CB 4.48Å; Y24-P473 HydrophobicContact CE1-CB 3.83Å
25L92.1Very high88.8Confident1 Ų156.6 Ų56.61%0.00532%0.318CS..Hα-helixtrans-63.5-43.5179.2-72165.6000111.5I12 W21 T23 S27 A28 F29 L62 I64 L94 Y127I12-L25 HydrophobicContact CD1-CB 4.03Å; W21-L25 HydrophobicContact CE3-CD1 4.42Å; W21-L25 HydrophobicContact CE3-CG 4.44Å; W21-L25 VanDerWaalsContact O-CB 3.31Å; W21-L25 WeakPolarHBondContact O-CB 3.47Å; W21-L25 WeakPolarHBondContact O-CD1 3.43Å; W21-L25 WeakPolarHBondContact O-CG 3.46Å; W21-L25 PolarHBondContact O-N 2.87Å; T23-L25 PolarHBondContact O-N 2.85Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 2.85Å; L25-A28 PolarHBondContact O-N 2.88Å; L25-A28 VanDerWaalsContact O-N 3.09Å; L25-F29 HydrophobicContact CB-CD2 4.39Å; L25-F29 HydrophobicContact CB-CE2 3.96Å; L25-F29 HydrophobicContact CD2-CE2 4.18Å; L25-F29 HydrophobicContact CD2-CZ 4.41Å; L25-F29 WeakPolarHBondContact O-CD2 3.43Å; L25-F29 PolarHBondContact O-N 2.85Å; L25-L62 HydrophobicContact CD1-CD2 4.02Å; L25-L62 HydrophobicContact CD2-CD2 4.47Å; L25-I64 HydrophobicContact CD1-CD1 3.74Å; L25-I64 HydrophobicContact CD1-CG1 4.09Å; L25-L94 HydrophobicContact CD1-CD2 3.81Å; L25-Y127 HydrophobicContact CD2-CD2 4.21Å; L25-Y127 HydrophobicContact CD2-CG 4.24Å
26Q91.8Very high88.2Confident67 Ų6763 Ų6331%0.31335%0.352SS..Hα-helixtrans-53.2-51.1174-172.9177.819.900110.9I12 A22 T23 A28 F29 T30 I38I12-Q26 HydrophobicContact CD1-CB 4.38Å; A22-Q26 WeakPolarHBondContact O-CB 3.37Å; A22-Q26 PolarHBondContact O-N 3.29Å; T23-Q26 PolarHBondContact O-N 2.9Å; Q26-A28 VanDerWaalsContact C-N 3.33Å; Q26-A28 PolarHBondContact O-N 2.93Å; Q26-F29 PolarHBondContact O-N 2.98Å; Q26-T30 PolarHBondContact O-N 2.99Å; Q26-T30 PolarHBondContact O-OG1 2.86Å; Q26-T30 VanDerWaalsContact O-OG1 3.09Å; Q26-I38 HydrophobicContact CG-CG2 4.09Å
27S90.5Very high88.1Confident82 Ų8259.1 Ų59.157%0.57333%0.329SS*.Hα-helixtrans-63.6-33176.4-61.40000113.9T23 Y24 L25T23-S27 PolarHBondContact O-N 2.88Å; T23-S27 VanDerWaalsContact O-N 3.07Å; T23-S27 PolarHBondContact O-OG 3.43Å; Y24-S27 PolarHBondContact O-N 2.89Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 2.85Å
28A89.4Confident88.2Confident29 Ų2956.6 Ų56.624%0.2432%0.318CS..Hα-helixtrans-72-28177.400000113.5Y24 L25 Q26 V128Y24-A28 WeakPolarHBondContact O-CB 3.31Å; Y24-A28 PolarHBondContact O-N 3.47Å; L25-A28 PolarHBondContact O-N 2.88Å; L25-A28 VanDerWaalsContact O-N 3.09Å; Q26-A28 VanDerWaalsContact C-N 3.33Å; Q26-A28 PolarHBondContact O-N 2.93Å; A28-V128 WeakPolarHBondContact O-CG2 3.2Å
29F90.5Very high88.2Confident0 Ų058.1 Ų58.10%033%0.328CS..Hα-helixtrans-88-24.5174.1-61.1-61.1000113.3L10 I12 L25 Q26 G31 Q32 I33 I38 L62 V128 V131L10-F29 HydrophobicContact CD2-CB 4.18Å; L10-F29 HydrophobicContact CD2-CD1 4.28Å; L10-F29 HydrophobicContact CD2-CD2 3.24Å; L10-F29 HydrophobicContact CD2-CE2 3.59Å; L10-F29 HydrophobicContact CD2-CG 3.66Å; L10-F29 HydrophobicContact CD2-CZ 4.25Å; I12-F29 HydrophobicContact CD1-CD2 4.11Å; I12-F29 HydrophobicContact CD1-CE2 4.26Å; L25-F29 HydrophobicContact CB-CD2 4.39Å; L25-F29 HydrophobicContact CB-CE2 3.96Å; L25-F29 HydrophobicContact CD2-CE2 4.18Å; L25-F29 HydrophobicContact CD2-CZ 4.41Å; L25-F29 WeakPolarHBondContact O-CD2 3.43Å; L25-F29 PolarHBondContact O-N 2.85Å; Q26-F29 PolarHBondContact O-N 2.98Å; F29-G31 PolarHBondContact O-N 3.14Å; F29-G31 VanDerWaalsContact O-N 3.15Å; F29-Q32 PolarHBondContact O-N 2.85Å; F29-I33 HydrophobicContact CB-CD1 4.35Å; F29-I33 PolarHBondContact O-N 3.11Å; F29-I38 HydrophobicContact CB-CD1 3.84Å; F29-L62 HydrophobicContact CE2-CD2 3.73Å; F29-L62 HydrophobicContact CZ-CD2 3.95Å; F29-V128 HydrophobicContact CD1-CG2 4.07Å; F29-V128 HydrophobicContact CE1-CG2 4.26Å; F29-V131 HydrophobicContact CD1-CG1 4.46Å; F29-V131 HydrophobicContact CE1-CB 3.7Å; F29-V131 HydrophobicContact CE1-CG1 4Å; F29-V131 HydrophobicContact CE1-CG2 3.84Å; F29-V131 HydrophobicContact CZ-CB 4.02Å; F29-V131 HydrophobicContact CZ-CG1 4.32Å; F29-V131 HydrophobicContact CZ-CG2 3.63Å
30T83.8Confident88.2Confident56 Ų5654.7 Ų54.734%0.34432%0.317SS..BIsolated β-bridgetrans-55.2116.8174.2-710000110.7Q26 E35Q26-T30 PolarHBondContact O-N 2.99Å; Q26-T30 PolarHBondContact O-OG1 2.86Å; Q26-T30 VanDerWaalsContact O-OG1 3.09Å; T30-E35 HydrophobicContact CG2-CG 3.95Å; T30-E35 WeakPolarHBondContact CG2-OE1 3.26Å
31G78.5Confident88.2Confident75 Ų7548.9 Ų48.977%0.77329%0.289SS*.THydrogen-bonded Turntrans112.4-28.1-178.300000113.9F29 I33F29-G31 PolarHBondContact O-N 3.14Å; F29-G31 VanDerWaalsContact O-N 3.15Å; G31-I33 PolarHBondContact N-O 2.82Å
32Q82.5Confident88Confident122 Ų12249.6 Ų49.657%0.5729%0.294SS*.THydrogen-bonded Turntrans-94.6-31.4166.5-65.6-71.9-0.400111.4F29 V128 M132F29-Q32 PolarHBondContact O-N 2.85Å; Q32-V128 HydrophobicContact CB-CG1 4.45Å; Q32-V128 HydrophobicContact CG-CG1 3.88Å; Q32-M132 HydrophobicContact CB-CE 4.39Å
33I85.4Confident87.7Confident4 Ų450 Ų502%0.02130%0.296CS..BIsolated β-bridgetrans-116.8138.2170.8-52.4-179.3000107.4K9 L10 F29 G31 I38 M132 I135K9-I33 HydrophobicContact CB-CG2 3.87Å; K9-I33 HydrophobicContact CD-CG2 4.08Å; L10-I33 HydrophobicContact CB-CD1 3.84Å; L10-I33 HydrophobicContact CD2-CD1 4.05Å; F29-I33 HydrophobicContact CB-CD1 4.35Å; F29-I33 PolarHBondContact O-N 3.11Å; G31-I33 PolarHBondContact N-O 2.82Å; I33-I38 HydrophobicContact CB-CD1 4.1Å; I33-I38 HydrophobicContact CB-CG1 3.94Å; I33-I38 HydrophobicContact CG2-CD1 4.36Å; I33-I38 HydrophobicContact CG2-CG1 3.67Å; I33-M132 HydrophobicContact CD1-SD 4.05Å; I33-M132 HydrophobicContact CG1-SD 3.75Å; I33-I135 HydrophobicContact CD1-CD1 3.66Å
34P84.2Confident87.1Confident78 Ų7849.1 Ų49.151%0.50629%0.288SS..  trans-61.7145.6170.4-20.332.8000111D36 G37P34-D36 VanDerWaalsContact C-N 3.31Å; P34-D36 PolarHBondContact O-N 2.87Å; P34-G37 WeakPolarHBondContact O-CA 3.31Å; P34-G37 PolarHBondContact O-N 2.98Å
35E80.3Confident86.3Confident134 Ų13451.6 Ų51.663%0.62631%0.307SS*.G310 helixtrans-58.4-41.6-178-61.5-174155.100112.2T30 G37 I38T30-E35 HydrophobicContact CG2-CG 3.95Å; T30-E35 WeakPolarHBondContact CG2-OE1 3.26Å; E35-G37 PolarHBondContact O-N 3.21Å; E35-I38 PolarHBondContact O-N 2.7Å
36D80.9Confident84.4Confident150 Ų15059.9 Ų59.980%0.80235%0.35SS*.G310 helixtrans-57.9-11.8173.1-59.7-37.9000114.4P34P34-D36 VanDerWaalsContact C-N 3.31Å; P34-D36 PolarHBondContact O-N 2.87Å
37G84.6Confident82.5Confident3 Ų359.1 Ų59.13%0.03135%0.353CS..G310 helixtrans-107.62.4178.900000115.3T7 K9 L10 P34 E35T7-G37 WeakPolarHBondContact O-CA 3.43Å; K9-G37 PolarHBondContact N-O 2.79Å; L10-G37 PolarHBondContact N-O 3.11Å; P34-G37 WeakPolarHBondContact O-CA 3.31Å; P34-G37 PolarHBondContact O-N 2.98Å; E35-G37 PolarHBondContact O-N 3.21Å
38I91.3Very high80.7Confident13 Ų1364.8 Ų64.87%0.06736%0.361CS..EExtended strand (participates in β ladder)trans-112.8110.4175.1-51.3166.3000109.3L10 I12 Q26 F29 I33 E35L10-I38 HydrophobicContact CD2-CG2 4.22Å; L10-I38 HydrophobicContact CG-CG2 4.47Å; L10-I38 WeakPolarHBondContact O-CA 3.36Å; I12-I38 HydrophobicContact CD1-CG2 4Å; I12-I38 HydrophobicContact CG1-CG2 4.36Å; Q26-I38 HydrophobicContact CG-CG2 4.09Å; F29-I38 HydrophobicContact CB-CD1 3.84Å; I33-I38 HydrophobicContact CB-CD1 4.1Å; I33-I38 HydrophobicContact CB-CG1 3.94Å; I33-I38 HydrophobicContact CG2-CD1 4.36Å; I33-I38 HydrophobicContact CG2-CG1 3.67Å; E35-I38 PolarHBondContact O-N 2.7Å
39C91.6Very high79Confident33 Ų3369.4 Ų69.422%0.22338%0.376CS..EExtended strand (participates in β ladder)trans-98.7137.7172.4-174.60000110.6L10 L11 I12 Y58L10-C39 PolarHBondContact O-N 3.22Å; L11-C39 CarbonylContact C-O 3.5Å; L11-C39 HydrophobicContact CD1-CB 3.93Å; I12-C39 PolarHBondContact N-O 3.1Å; C39-Y58 HydrophobicContact CB-CE1 3.66Å; C39-Y58 HydrophobicContact CB-CE2 4.43Å; C39-Y58 WeakPolarHBondContact CB-OH 3.27Å
40C91.7Very high77.2Confident38 Ų3874.6 Ų74.626%0.25740%0.404SS..EExtended strand (participates in β ladder)trans-116.6117.3172.5-66.20000109.8I12 Y14I12-C40 CarbonylContact O-C 3.59Å; I12-C40 WeakPolarHBondContact O-CA 2.96Å; Y14-C40 HydrophobicContact CE1-CB 3.98Å
41Y91.2Very high76.5Confident27 Ų2774.1 Ų74.111%0.10640%0.399CS..EExtended strand (participates in β ladder)trans-119.4120.2-172.6-175.8-88.1000112.2I12 I13 Y14 S47 L55 F80I12-Y41 PolarHBondContact O-N 2.8Å; I13-Y41 WeakPolarHBondContact CA-O 3.27Å; I13-Y41 HydrophobicContact CG2-CD1 4.5Å; Y14-Y41 WeakPolarHBondContact CD1-O 3.34Å; Y14-Y41 VanDerWaalsContact CE1-C 3.46Å; Y14-Y41 PolarHBondContact N-O 2.66Å; Y41-S47 WeakPolarHBondContact OH-CB 3.29Å; Y41-L55 HydrophobicContact CD1-CD1 4.39Å; Y41-L55 HydrophobicContact CD2-CD1 3.74Å; Y41-L55 HydrophobicContact CD2-CD2 4.06Å; Y41-L55 HydrophobicContact CE1-CD1 4.38Å; Y41-L55 HydrophobicContact CE2-CD1 3.72Å; Y41-L55 HydrophobicContact CG-CD1 4.09Å; Y41-L55 HydrophobicContact CG-CD2 4.36Å; Y41-F80 HydrophobicContact CD1-CE1 4.31Å; Y41-F80 HydrophobicContact CD1-CZ 4.19Å; Y41-F80 AromaticContact CE1-CE1 3.64Å; Y41-F80 HydrophobicContact CE1-CE1 3.64Å; Y41-F80 HydrophobicContact CE1-CE2 4.45Å; Y41-F80 AromaticContact CE1-CZ 3.39Å; Y41-F80 HydrophobicContact CE1-CZ 3.39Å; Y41-F80 AromaticContact CZ-CZ 3.59Å
42D89.8Confident76.2Confident24 Ų2471.8 Ų71.813%0.12837%0.368CS..EExtended strand (participates in β ladder)trans-85.2122.2173.8-176.4-12.4000110.1Y14 T16 N44 T45Y14-D42 HydrophobicContact CD2-CB 4.47Å; Y14-D42 HydrophobicContact CE1-CB 4.2Å; Y14-D42 HydrophobicContact CE2-CB 3.9Å; Y14-D42 WeakPolarHBondContact O-CA 3.46Å; T16-D42 WeakPolarHBondContact CG2-OD2 3.27Å; D42-N44 PolarHBondContact O-N 3.22Å; D42-N44 VanDerWaalsContact O-N 3.09Å; D42-N44 VanDerWaalsContact OD1-CB 3.28Å; D42-N44 WeakPolarHBondContact OD1-CB 3.33Å; D42-N44 PolarHBondContact OD1-N 2.75Å; D42-N44 PolarHBondContact OD1-ND2 2.64Å; D42-T45 WeakPolarHBondContact O-CB 3.27Å; D42-T45 PolarHBondContact O-N 2.89Å; D42-T45 PolarHBondContact O-OG1 2.97Å
43V86.3Confident75.8Confident10 Ų1069 Ų696%0.06136%0.359CS..THydrogen-bonded Turntrans-63.5-10.8178.479.90000113.8Y14 E15 M69 R77 L81Y14-V43 WeakPolarHBondContact O-CG1 3.3Å; Y14-V43 PolarHBondContact O-N 2.83Å; E15-V43 HydrophobicContact CB-CG1 4.05Å; E15-V43 HydrophobicContact CG-CG1 4Å; V43-M69 HydrophobicContact CB-CE 4.3Å; V43-M69 HydrophobicContact CB-SD 4.32Å; V43-M69 HydrophobicContact CG1-CE 4Å; V43-M69 HydrophobicContact CG1-SD 3.85Å; V43-M69 HydrophobicContact CG2-SD 4.34Å; V43-R77 HydrophobicContact CG2-CG 4.2Å; V43-R77 PolarHBondContact O-NE 2.96Å; V43-R77 VanDerWaalsContact O-NE 3.14Å; V43-R77 PolarHBondContact O-NH2 3.22Å; V43-L81 HydrophobicContact CG2-CD2 4.48Å
44N80.4Confident75.5Confident55 Ų5574.2 Ų74.229%0.29438%0.383SS..THydrogen-bonded Turntrans-86.8-16.7172.6-60.4-80.2000113.9E15 D42 L46 R77E15-N44 PolarHBondContact OE1-ND2 2.76Å; D42-N44 PolarHBondContact O-N 3.22Å; D42-N44 VanDerWaalsContact O-N 3.09Å; D42-N44 VanDerWaalsContact OD1-CB 3.28Å; D42-N44 WeakPolarHBondContact OD1-CB 3.33Å; D42-N44 PolarHBondContact OD1-N 2.75Å; D42-N44 PolarHBondContact OD1-ND2 2.64Å; N44-L46 PolarHBondContact O-N 2.87Å; N44-R77 PolarHBondContact OD1-NH2 2.87Å
45T75.9Confident75.6Confident82 Ų8271 Ų7150%0.50336%0.362SS..SBendtrans-61.5127.6175.5-30.20000109.1D42 S47D42-T45 WeakPolarHBondContact O-CB 3.27Å; D42-T45 PolarHBondContact O-N 2.89Å; D42-T45 PolarHBondContact O-OG1 2.97Å; T45-S47 VanDerWaalsContact C-N 3.31Å; T45-S47 PolarHBondContact O-N 3.26Å
46L50.9Low75.7Confident175 Ų17566.6 Ų66.692%0.91635%0.346SS*.  trans-70.887.2-176.2-73.3169.5000110.7N44N44-L46 PolarHBondContact O-N 2.87Å
47S52.6Low75.9Confident52 Ų5266.4 Ų66.436%0.36433%0.334SS..  trans-57137.8-173.3-173.40000113.2Y41 T45 D51Y41-S47 WeakPolarHBondContact OH-CB 3.29Å; T45-S47 VanDerWaalsContact C-N 3.31Å; T45-S47 PolarHBondContact O-N 3.26Å; S47-D51 WeakPolarHBondContact CA-OD2 3.35Å; S47-D51 WeakPolarHBondContact CB-OD2 3.39Å; S47-D51 PolarHBondContact OG-OD2 2.84Å
48R54Low76.1Confident201 Ų20167.4 Ų67.476%0.75834%0.337SS*.  trans-75.8159.8165.1-66.4172.2165.6176.1-4.9109.1D50 D51R48-D50 PolarHBondContact O-N 3.37Å; R48-D51 WeakPolarHBondContact CB-OD1 3.44Å; R48-D51 PolarHBondContact N-OD2 2.93Å; R48-D51 PolarHBondContact O-N 2.89Å
49K52.7Low75.9Confident125 Ų12568 Ų6854%0.54334%0.343SS..THydrogen-bonded Turntrans-63.32.2-172.1-79.9-174.3173.2-178.60116.1T299K49-T299 WeakPolarHBondContact O-CB 3.26Å; K49-T299 PolarHBondContact O-OG1 2.9Å
50D53.4Low75.9Confident110 Ų11066.4 Ų66.459%0.58833%0.333SS*.THydrogen-bonded Turntrans-128.1-14.2-171.5-54.9-63000114.2R48 F52 V53R48-D50 PolarHBondContact O-N 3.37Å; D50-F52 VanDerWaalsContact C-N 3.26Å; D50-F52 PolarHBondContact O-N 3.25Å; D50-F52 VanDerWaalsContact O-N 3.1Å; D50-V53 WeakPolarHBondContact O-CB 3.43Å; D50-V53 WeakPolarHBondContact O-CG2 3.34Å; D50-V53 PolarHBondContact O-N 3.47Å
51D67.5Low76Confident45 Ų4564.8 Ų64.824%0.24132%0.321CS..THydrogen-bonded Turntrans-58.5-35.5-167.4-51.7-24.9000113.1S47 R48 V53 E54 L55S47-D51 WeakPolarHBondContact CA-OD2 3.35Å; S47-D51 WeakPolarHBondContact CB-OD2 3.39Å; S47-D51 PolarHBondContact OG-OD2 2.84Å; R48-D51 WeakPolarHBondContact CB-OD1 3.44Å; R48-D51 PolarHBondContact N-OD2 2.93Å; R48-D51 PolarHBondContact O-N 2.89Å; D51-V53 PolarHBondContact O-N 3.14Å; D51-V53 VanDerWaalsContact O-N 3.13Å; D51-E54 PolarHBondContact O-N 3.38Å; D51-E54 VanDerWaalsContact O-N 3.07Å; D51-L55 HydrophobicContact CB-CD1 4.32Å; D51-L55 VanDerWaalsContact O-CG 3.31Å; D51-L55 WeakPolarHBondContact O-CG 3.4Å; D51-L55 PolarHBondContact O-N 2.69Å
52F73.1Confident76.2Confident27 Ų2763.6 Ų63.612%0.11832%0.317CS..Hα-helixtrans-60.8-22.1178.976.2-83000113.5D50 S56 F80 R83 V84 T299D50-F52 VanDerWaalsContact C-N 3.26Å; D50-F52 PolarHBondContact O-N 3.25Å; D50-F52 VanDerWaalsContact O-N 3.1Å; F52-S56 WeakPolarHBondContact O-CB 3.3Å; F52-S56 PolarHBondContact O-N 2.92Å; F52-S56 PolarHBondContact O-OG 2.85Å; F52-F80 HydrophobicContact CB-CD2 4.15Å; F52-F80 HydrophobicContact CB-CE2 4.02Å; F52-R83 HydrophobicContact CD2-CB 3.85Å; F52-R83 HydrophobicContact CD2-CG 4.4Å; F52-R83 HydrophobicContact CG-CB 4.44Å; F52-R83 VanDerWaalsContact CZ-NH1 3.35Å; F52-V84 HydrophobicContact CB-CG2 3.71Å; F52-T299 HydrophobicContact CE1-CG2 3.48Å; F52-T299 VanDerWaalsContact CE1-CG2 3.48Å; F52-T299 HydrophobicContact CZ-CG2 3.48Å; F52-T299 VanDerWaalsContact CZ-CG2 3.48Å
53V73.4Confident76.5Confident64 Ų6462.5 Ų62.539%0.38831%0.311SS..Hα-helixtrans-75.9-25.2178-175.90000112.1D50 D51 S56 R57D50-V53 WeakPolarHBondContact O-CB 3.43Å; D50-V53 WeakPolarHBondContact O-CG2 3.34Å; D50-V53 PolarHBondContact O-N 3.47Å; D51-V53 PolarHBondContact O-N 3.14Å; D51-V53 VanDerWaalsContact O-N 3.13Å; V53-S56 PolarHBondContact O-OG 3.25Å; V53-R57 WeakPolarHBondContact O-CG 3.26Å; V53-R57 PolarHBondContact O-NE 3.21Å
54E80.5Confident76.9Confident113 Ų11362 Ų6253%0.52831%0.308SS..Hα-helixtrans-85-48173.3-169.4170.1169.300109.3D51 S56 R57D51-E54 PolarHBondContact O-N 3.38Å; D51-E54 VanDerWaalsContact O-N 3.07Å; E54-S56 VanDerWaalsContact C-N 3.3Å; E54-S56 PolarHBondContact O-N 2.91Å; E54-R57 WeakPolarHBondContact O-CB 3.23Å; E54-R57 PolarHBondContact O-N 2.69Å; E54-R57 VanDerWaalsContact O-N 3.17Å
55L85.1Confident77.6Confident10 Ų1059.4 Ų59.45%0.05229%0.294CS..Hα-helixtrans-62.8-30.1179.1-62.5170.8000113.6L11 Y41 D51 R57 F80 V84L11-L55 HydrophobicContact CD1-CD2 3.67Å; L11-L55 HydrophobicContact CD2-CB 3.72Å; L11-L55 HydrophobicContact CD2-CD2 3.85Å; L11-L55 HydrophobicContact CD2-CG 4.33Å; L11-L55 WeakPolarHBondContact CD2-O 3.41Å; L11-L55 HydrophobicContact CG-CD2 4.43Å; Y41-L55 HydrophobicContact CD1-CD1 4.39Å; Y41-L55 HydrophobicContact CD2-CD1 3.74Å; Y41-L55 HydrophobicContact CD2-CD2 4.06Å; Y41-L55 HydrophobicContact CE1-CD1 4.38Å; Y41-L55 HydrophobicContact CE2-CD1 3.72Å; Y41-L55 HydrophobicContact CG-CD1 4.09Å; Y41-L55 HydrophobicContact CG-CD2 4.36Å; D51-L55 HydrophobicContact CB-CD1 4.32Å; D51-L55 VanDerWaalsContact O-CG 3.31Å; D51-L55 WeakPolarHBondContact O-CG 3.4Å; D51-L55 PolarHBondContact O-N 2.69Å; L55-R57 PolarHBondContact O-N 2.82Å; L55-F80 HydrophobicContact CD1-CE2 4.19Å; L55-F80 HydrophobicContact CD1-CZ 3.66Å; L55-V84 HydrophobicContact CB-CG1 3.81Å; L55-V84 HydrophobicContact CB-CG2 4.04Å; L55-V84 HydrophobicContact CD1-CG2 4.43Å
56S82.3Confident78.4Confident42 Ų4255.5 Ų55.529%0.29427%0.27SS..THydrogen-bonded Turntrans-71.4-12.8177.767.50000114.4F52 V53 E54 K61F52-S56 WeakPolarHBondContact O-CB 3.3Å; F52-S56 PolarHBondContact O-N 2.92Å; F52-S56 PolarHBondContact O-OG 2.85Å; V53-S56 PolarHBondContact O-OG 3.25Å; E54-S56 VanDerWaalsContact C-N 3.3Å; E54-S56 PolarHBondContact O-N 2.91Å; S56-K61 VanDerWaalsContact O-CE 3.28Å; S56-K61 WeakPolarHBondContact O-CE 3.43Å; S56-K61 PolarHBondContact O-NZ 3.09Å
57R84.8Confident80.2Confident145 Ų14550.9 Ų50.955%0.54724%0.242SC..THydrogen-bonded Turntrans-81-24.1-175.5-60.6174.5-172.2-178.40.1114.3E8 V53 E54 L55 A59E8-R57 WeakPolarHBondContact OE2-CB 3.5Å; E8-R57 WeakPolarHBondContact OE2-CD 3.26Å; V53-R57 WeakPolarHBondContact O-CG 3.26Å; V53-R57 PolarHBondContact O-NE 3.21Å; E54-R57 WeakPolarHBondContact O-CB 3.23Å; E54-R57 PolarHBondContact O-N 2.69Å; E54-R57 VanDerWaalsContact O-N 3.17Å; L55-R57 PolarHBondContact O-N 2.82Å; R57-A59 PolarHBondContact O-N 3.03Å
58Y89.1Confident81.8Confident25 Ų2549.2 Ų49.210%0.09823%0.234CC..SBendtrans-57.9131.9-176.9-73.5-101000111.2E8 L10 L11 C39 C60 K61E8-Y58 HydrophobicContact CB-CD1 3.97Å; E8-Y58 HydrophobicContact CB-CD2 4.29Å; E8-Y58 HydrophobicContact CB-CE1 3.97Å; E8-Y58 HydrophobicContact CB-CE2 4.26Å; E8-Y58 HydrophobicContact CB-CG 4.14Å; E8-Y58 HydrophobicContact CG-CE1 4.3Å; E8-Y58 HydrophobicContact CG-CE2 4.13Å; L10-Y58 VanDerWaalsContact C-CD1 3.41Å; L10-Y58 WeakPolarHBondContact O-CD1 3.48Å; L11-Y58 HydrophobicContact CB-CD1 4.06Å; L11-Y58 HydrophobicContact CB-CD2 4.16Å; L11-Y58 HydrophobicContact CB-CG 3.74Å; C39-Y58 HydrophobicContact CB-CE1 3.66Å; C39-Y58 HydrophobicContact CB-CE2 4.43Å; C39-Y58 WeakPolarHBondContact CB-OH 3.27Å; Y58-C60 PolarHBondContact O-N 2.95Å; Y58-K61 WeakPolarHBondContact O-CE 3.49Å; Y58-K61 PolarHBondContact O-NZ 3.27Å
59A87.7Confident83.5Confident24 Ų2439.9 Ų39.920%0.19820%0.199CC..SBendtrans-62.9-25.8-17400000113.7E8 K9 R57 I135E8-A59 PolarHBondContact O-N 3.18Å; K9-A59 PolarHBondContact O-N 2.78Å; R57-A59 PolarHBondContact O-N 3.03Å; A59-I135 HydrophobicContact CB-CG1 4.38Å; A59-I135 HydrophobicContact CB-CG2 4.35Å
60C92.6Very high85.2Confident0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-134.7139.4167.6-178.40000110.4K9 L10 L11 Y58 C90 V131 I134 I135K9-C60 PolarHBondContact O-N 2.82Å; L10-C60 HydrophobicContact CD1-CB 4.15Å; L11-C60 PolarHBondContact N-O 2.83Å; Y58-C60 PolarHBondContact O-N 2.95Å; C60-C90 CarbonylContact C-O 3.6Å; C60-C90 WeakPolarHBondContact CA-O 3.3Å; C60-V131 HydrophobicContact CB-CG1 4.37Å; C60-I134 HydrophobicContact CB-CB 4.35Å; C60-I134 HydrophobicContact CB-CG2 3.87Å; C60-I135 HydrophobicContact CB-CD1 4.23Å; C60-I135 HydrophobicContact CB-CG1 3.63Å
61K93.6Very high86.8Confident4 Ų436.6 Ų36.62%0.01718%0.183CC..EExtended strand (participates in β ladder)trans-115114.1171.2-60.697.2176.8-176.30109.5L11 S56 Y58 V84 L85 S86 C90 V91 A92L11-K61 HydrophobicContact CB-CG 4.44Å; L11-K61 HydrophobicContact CD2-CG 4.28Å; L11-K61 CarbonylContact O-C 3.54Å; L11-K61 WeakPolarHBondContact O-CA 3.47Å; S56-K61 VanDerWaalsContact O-CE 3.28Å; S56-K61 WeakPolarHBondContact O-CE 3.43Å; S56-K61 PolarHBondContact O-NZ 3.09Å; Y58-K61 WeakPolarHBondContact O-CE 3.49Å; Y58-K61 PolarHBondContact O-NZ 3.27Å; K61-V84 WeakPolarHBondContact CD-O 3.44Å; K61-V84 WeakPolarHBondContact CE-O 3.47Å; K61-L85 HydrophobicContact CB-CD2 3.83Å; K61-S86 PolarHBondContact NZ-O 3.2Å; K61-C90 HydrophobicContact CD-CB 4.42Å; K61-C90 PolarHBondContact N-O 3.05Å; K61-V91 WeakPolarHBondContact O-CA 3.47Å; K61-A92 PolarHBondContact O-N 3.28Å
62L95.4Very high87.4Confident3 Ų335.5 Ų35.52%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-100.5106.6176.2179.161.2000109.5L10 L11 I12 I13 L25 F29 A92 L94 I118 V131L10-L62 HydrophobicContact CD1-CB 4.01Å; L11-L62 PolarHBondContact O-N 2.76Å; I12-L62 CarbonylContact C-O 3.58Å; I12-L62 WeakPolarHBondContact CA-O 3.33Å; I12-L62 HydrophobicContact CG1-CD2 4.49Å; I13-L62 PolarHBondContact N-O 2.83Å; L25-L62 HydrophobicContact CD1-CD2 4.02Å; L25-L62 HydrophobicContact CD2-CD2 4.47Å; F29-L62 HydrophobicContact CE2-CD2 3.73Å; F29-L62 HydrophobicContact CZ-CD2 3.95Å; L62-A92 CarbonylContact C-O 3.56Å; L62-A92 WeakPolarHBondContact CA-O 3.43Å; L62-A92 HydrophobicContact CD1-CB 3.7Å; L62-L94 HydrophobicContact CD1-CB 4.42Å; L62-I118 HydrophobicContact CD1-CD1 4.33Å; L62-V131 HydrophobicContact CD2-CG2 4.39Å
63L95.5Very high87.8Confident0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-88.3128.6173-179.870.7000109.9I13 L65 M69 L81 L85 A92 V93 L94 L104I13-L63 HydrophobicContact CB-CD1 3.87Å; I13-L63 HydrophobicContact CG2-CD1 3.8Å; L63-L65 HydrophobicContact CD2-CD1 4.44Å; L63-M69 HydrophobicContact CD1-CE 3.84Å; L63-M69 HydrophobicContact CD1-SD 4.48Å; L63-L81 HydrophobicContact CD1-CD2 4.26Å; L63-L85 HydrophobicContact CB-CD2 4.44Å; L63-L85 HydrophobicContact CD2-CD1 3.97Å; L63-A92 PolarHBondContact N-O 2.73Å; L63-V93 HydrophobicContact CB-CG2 4.24Å; L63-V93 HydrophobicContact CD2-CG1 4.32Å; L63-V93 HydrophobicContact CD2-CG2 4.33Å; L63-V93 CarbonylContact O-C 3.49Å; L63-V93 WeakPolarHBondContact O-CA 3.46Å; L63-L94 PolarHBondContact O-N 3.09Å; L63-L104 HydrophobicContact CD2-CD1 4.34Å; L63-L104 HydrophobicContact CD2-CD2 3.55Å
64I95.4Very high87.9Confident0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-92.4107.5168-47.6175.3000107.8I12 I13 A18 W21 A22 L25 S66 L94 C96I12-I64 HydrophobicContact CG2-CD1 3.91Å; I12-I64 HydrophobicContact CG2-CG1 4.26Å; I13-I64 PolarHBondContact O-N 3Å; A18-I64 HydrophobicContact CB-CB 4.15Å; A18-I64 HydrophobicContact CB-CG2 3.73Å; W21-I64 HydrophobicContact CB-CD1 3.97Å; W21-I64 HydrophobicContact CB-CG2 4.33Å; A22-I64 HydrophobicContact CB-CD1 3.86Å; L25-I64 HydrophobicContact CD1-CD1 3.74Å; L25-I64 HydrophobicContact CD1-CG1 4.09Å; I64-S66 PolarHBondContact O-N 3.09Å; I64-L94 HydrophobicContact CG2-CD2 4.23Å; I64-C96 HydrophobicContact CG2-CB 3.75Å
65L94.1Very high87.2Confident0 Ų035.1 Ų35.10%018%0.176CC..EExtended strand (participates in β ladder)trans-91.595.2-178-170.564.9000109.6L63 M69 L70 V93 L94 L95 C96 V98 L101 L104L63-L65 HydrophobicContact CD2-CD1 4.44Å; L65-M69 HydrophobicContact CD1-CB 4.45Å; L65-M69 HydrophobicContact CD1-CG 3.96Å; L65-L70 HydrophobicContact CD1-CD2 3.78Å; L65-L70 HydrophobicContact CD1-CG 3.92Å; L65-L70 HydrophobicContact CG-CD2 4.48Å; L65-L70 HydrophobicContact CG-CG 4.36Å; L65-V93 HydrophobicContact CB-CG1 3.69Å; L65-V93 HydrophobicContact CD2-CG1 4.15Å; L65-L94 PolarHBondContact N-O 3.05Å; L65-L95 HydrophobicContact CD2-CD2 3.96Å; L65-C96 PolarHBondContact O-N 3.33Å; L65-V98 HydrophobicContact CB-CG2 4.41Å; L65-V98 HydrophobicContact CD2-CG2 4.14Å; L65-V98 HydrophobicContact CG-CG2 4.09Å; L65-V98 VanDerWaalsContact O-CG2 3.28Å; L65-V98 WeakPolarHBondContact O-CG2 3.44Å; L65-L101 HydrophobicContact CD2-CD1 4.07Å; L65-L104 HydrophobicContact CD1-CB 4.25Å; L65-L104 HydrophobicContact CD1-CD1 4.04Å; L65-L104 HydrophobicContact CD1-CD2 4.26Å; L65-L104 HydrophobicContact CD1-CG 4.41Å; L65-L104 HydrophobicContact CD2-CB 4.1Å; L65-L104 HydrophobicContact CD2-CD2 4.36Å
66S92.8Very high86.6Confident0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-97.6172.8172.9840000112.5E17 I64 G68 M69 L70 C96E17-S66 WeakPolarHBondContact OE2-CB 3.28Å; E17-S66 PolarHBondContact OE2-OG 3.33Å; I64-S66 PolarHBondContact O-N 3.09Å; S66-G68 PolarHBondContact OG-N 3.09Å; S66-M69 WeakPolarHBondContact O-CB 3.49Å; S66-M69 PolarHBondContact O-N 3.23Å; S66-M69 PolarHBondContact OG-N 3.2Å; S66-L70 PolarHBondContact O-N 2.86Å; S66-C96 WeakPolarHBondContact CA-O 3.44Å
67K88.8Confident86.5Confident78 Ų7842.2 Ų42.234%0.33920%0.2SC..Hα-helixtrans-64.6-41.5174.7-173.6171.8172.8-65.70111.6E17 M69 L70 E71 P480E17-K67 PolarHBondContact OE2-N 2.86Å; K67-M69 VanDerWaalsContact C-N 3.34Å; K67-M69 PolarHBondContact O-N 3.26Å; K67-L70 PolarHBondContact O-N 3.16Å; K67-E71 WeakPolarHBondContact CE-OE1 3.37Å; K67-E71 VanDerWaalsContact NZ-CD 3.27Å; K67-E71 IonicContact NZ-OE1 2.77Å; K67-E71 PolarHBondContact NZ-OE1 3.4Å; K67-E71 IonicContact NZ-OE2 3.4Å; K67-E71 PolarHBondContact NZ-OE2 3.2Å; K67-E71 WeakPolarHBondContact O-CG 3.46Å; K67-E71 PolarHBondContact O-N 3.48Å; K67-P480 HydrophobicContact CD-CG 4.34Å
68G86.1Confident86.3Confident18 Ų1835.4 Ų35.419%0.18618%0.175CC..Hα-helixtrans-61.9-35.1172.500000113.7E17 S66 G72E17-G68 WeakPolarHBondContact OE2-CA 3.43Å; E17-G68 PolarHBondContact OE2-N 2.86Å; S66-G68 PolarHBondContact OG-N 3.09Å; G68-G72 PolarHBondContact O-N 3.41Å
69M89.5Confident85.7Confident4 Ų435.2 Ų35.22%0.0218%0.175CC..Hα-helixtrans-61.9-42.7172.5-17969.676.700111.6E15 V43 L63 L65 S66 K67 L73 L81E15-M69 HydrophobicContact CB-CB 4.21Å; E15-M69 HydrophobicContact CB-CE 3.95Å; E15-M69 HydrophobicContact CB-SD 4.48Å; V43-M69 HydrophobicContact CB-CE 4.3Å; V43-M69 HydrophobicContact CB-SD 4.32Å; V43-M69 HydrophobicContact CG1-CE 4Å; V43-M69 HydrophobicContact CG1-SD 3.85Å; V43-M69 HydrophobicContact CG2-SD 4.34Å; L63-M69 HydrophobicContact CD1-CE 3.84Å; L63-M69 HydrophobicContact CD1-SD 4.48Å; L65-M69 HydrophobicContact CD1-CB 4.45Å; L65-M69 HydrophobicContact CD1-CG 3.96Å; S66-M69 WeakPolarHBondContact O-CB 3.49Å; S66-M69 PolarHBondContact O-N 3.23Å; S66-M69 PolarHBondContact OG-N 3.2Å; K67-M69 VanDerWaalsContact C-N 3.34Å; K67-M69 PolarHBondContact O-N 3.26Å; M69-L73 WeakPolarHBondContact O-CB 3.4Å; M69-L73 PolarHBondContact O-N 3.25Å; M69-L81 HydrophobicContact SD-CD1 4.34Å
70L88.3Confident85.5Confident30 Ų3035.3 Ų35.316%0.15717%0.171CC..Hα-helixtrans-72.4-37.9178.6-72.2175000113.3L65 S66 K67 L73 V98 P103 L104L65-L70 HydrophobicContact CD1-CD2 3.78Å; L65-L70 HydrophobicContact CD1-CG 3.92Å; L65-L70 HydrophobicContact CG-CD2 4.48Å; L65-L70 HydrophobicContact CG-CG 4.36Å; S66-L70 PolarHBondContact O-N 2.86Å; K67-L70 PolarHBondContact O-N 3.16Å; L70-L73 HydrophobicContact CD2-CD1 4.3Å; L70-L73 WeakPolarHBondContact O-CB 3.3Å; L70-V98 HydrophobicContact CD1-CB 4.44Å; L70-V98 HydrophobicContact CD1-CG1 3.9Å; L70-P103 HydrophobicContact CD1-CB 3.99Å; L70-P103 HydrophobicContact CD1-CG 4.44Å; L70-P103 HydrophobicContact CD2-CB 3.91Å; L70-L104 HydrophobicContact CD2-CB 4.29Å
71E86.7Confident85.2Confident137 Ų13735.3 Ų35.364%0.6417%0.171SC*.Hα-helixtrans-75.2-33.3177.8-71.5175.9168.600112.1K67 L73K67-E71 WeakPolarHBondContact CE-OE1 3.37Å; K67-E71 VanDerWaalsContact NZ-CD 3.27Å; K67-E71 IonicContact NZ-OE1 2.77Å; K67-E71 PolarHBondContact NZ-OE1 3.4Å; K67-E71 IonicContact NZ-OE2 3.4Å; K67-E71 PolarHBondContact NZ-OE2 3.2Å; K67-E71 WeakPolarHBondContact O-CG 3.46Å; K67-E71 PolarHBondContact O-N 3.48Å; E71-L73 PolarHBondContact O-N 3.31Å
72G80Confident84.8Confident21 Ų2135.2 Ų35.222%0.21617%0.171CC..THydrogen-bonded Turntrans-78.6-0.8174.400000114.8G68 H74 R77G68-G72 PolarHBondContact O-N 3.41Å; G72-H74 PolarHBondContact O-N 2.86Å; G72-H74 PolarHBondContact O-ND1 3.3Å; G72-R77 WeakPolarHBondContact O-CD 3.4Å; G72-R77 PolarHBondContact O-NH1 3.19Å
73L81.6Confident84.1Confident13 Ų1336 Ų367%0.06817%0.174CC..  trans-82.193.5-172.1-123.1165.2000111.6M69 L70 E71 R77 L81 L104 Q107 V108M69-L73 WeakPolarHBondContact O-CB 3.4Å; M69-L73 PolarHBondContact O-N 3.25Å; L70-L73 HydrophobicContact CD2-CD1 4.3Å; L70-L73 WeakPolarHBondContact O-CB 3.3Å; E71-L73 PolarHBondContact O-N 3.31Å; L73-R77 HydrophobicContact CD2-CB 4.49Å; L73-L81 HydrophobicContact CD1-CD1 4.49Å; L73-L81 HydrophobicContact CD2-CD1 4.33Å; L73-L81 HydrophobicContact CG-CD1 4.48Å; L73-L104 HydrophobicContact CD1-CD1 3.55Å; L73-Q107 HydrophobicContact CD2-CB 4.39Å; L73-Q107 PolarHBondContact O-OE1 2.86Å; L73-V108 HydrophobicContact CD1-CG2 4.34Å; L73-V108 HydrophobicContact CD2-CG2 3.89Å
74H76.3Confident83.7Confident99 Ų9936 Ų3646%0.45817%0.174SC..  trans-110.7165.8175.661.3-85.6000111.2G72 K76 R77 G78G72-H74 PolarHBondContact O-N 2.86Å; G72-H74 PolarHBondContact O-ND1 3.3Å; H74-K76 VanDerWaalsContact C-N 3.28Å; H74-K76 PolarHBondContact O-N 2.86Å; H74-R77 VanDerWaalsContact CE1-CD 3.48Å; H74-R77 WeakPolarHBondContact CE1-CD 3.32Å; H74-R77 WeakPolarHBondContact O-CA 3.29Å; H74-R77 PolarHBondContact O-N 3.02Å; H74-G78 PolarHBondContact O-N 2.9Å
75Q66.3Low83.4Confident84 Ų8436.1 Ų36.139%0.39317%0.174SC..Hα-helixtrans-43.4-44.5-171.2-173176.15.100115.2F79 Q344 C345Q75-F79 WeakPolarHBondContact O-CB 3.37Å; Q75-F79 PolarHBondContact O-N 2.76Å; Q75-F79 VanDerWaalsContact O-N 3.07Å; Q75-Q344 WeakPolarHBondContact CG-O 3.19Å; Q75-Q344 PolarHBondContact NE2-O 3.45Å; Q75-C345 PolarHBondContact NE2-O 3.36Å; Q75-C345 VanDerWaalsContact NE2-O 3.08Å
76K71.9Confident82.8Confident154 Ų15438.3 Ų38.367%0.6719%0.189SC*.Hα-helixtrans-67-39.1178.6-64.6178.4-180174.30112.8H74 F80H74-K76 VanDerWaalsContact C-N 3.28Å; H74-K76 PolarHBondContact O-N 2.86Å; K76-F80 PolarHBondContact O-N 3.44Å; K76-F80 VanDerWaalsContact O-N 3.07Å
77R79.5Confident82.5Confident48 Ų4841.5 Ų41.518%0.18121%0.21CC..Hα-helixtrans-72.4-39.3174.7-79.2-178.8179164.5-0.8112.5V43 N44 G72 L73 H74 F79 F80 L81V43-R77 HydrophobicContact CG2-CG 4.2Å; V43-R77 PolarHBondContact O-NE 2.96Å; V43-R77 VanDerWaalsContact O-NE 3.14Å; V43-R77 PolarHBondContact O-NH2 3.22Å; N44-R77 PolarHBondContact OD1-NH2 2.87Å; G72-R77 WeakPolarHBondContact O-CD 3.4Å; G72-R77 PolarHBondContact O-NH1 3.19Å; L73-R77 HydrophobicContact CD2-CB 4.49Å; H74-R77 VanDerWaalsContact CE1-CD 3.48Å; H74-R77 WeakPolarHBondContact CE1-CD 3.32Å; H74-R77 WeakPolarHBondContact O-CA 3.29Å; H74-R77 PolarHBondContact O-N 3.02Å; R77-F79 VanDerWaalsContact C-N 3.31Å; R77-F79 PolarHBondContact O-N 3.01Å; R77-F80 PolarHBondContact O-N 2.81Å; R77-L81 WeakPolarHBondContact O-CB 3.12Å; R77-L81 WeakPolarHBondContact O-CG 3.47Å; R77-L81 PolarHBondContact O-N 3.22Å
78G80.8Confident82.3Confident2 Ų238.3 Ų38.32%0.02120%0.198CC..Hα-helixtrans-59.4-43.4174.600000112.1H74 L81 S82H74-G78 PolarHBondContact O-N 2.9Å; G78-L81 PolarHBondContact O-N 3.1Å; G78-S82 WeakPolarHBondContact O-CB 3.45Å; G78-S82 PolarHBondContact O-N 3.08Å; G78-S82 PolarHBondContact O-OG 3.46Å
79F76Confident82.3Confident21 Ų2140 Ų409%0.09221%0.21CC..Hα-helixtrans-67.1-34.6174.1-177.3-95.6000113.9Q75 R77 S82 M297Q75-F79 WeakPolarHBondContact O-CB 3.37Å; Q75-F79 PolarHBondContact O-N 2.76Å; Q75-F79 VanDerWaalsContact O-N 3.07Å; R77-F79 VanDerWaalsContact C-N 3.31Å; R77-F79 PolarHBondContact O-N 3.01Å; F79-S82 PolarHBondContact O-OG 2.81Å; F79-M297 HydrophobicContact CE2-CB 4.42Å; F79-M297 HydrophobicContact CE2-CE 3.83Å; F79-M297 HydrophobicContact CE2-SD 4.06Å; F79-M297 HydrophobicContact CZ-CB 4.29Å
80F84.3Confident82.4Confident25 Ų2540.7 Ų40.711%0.1122%0.215CC..Hα-helixtrans-66.8-50.4173.4171.7-91.8000111.2Y41 F52 L55 K76 R77 S82 R83 V84Y41-F80 HydrophobicContact CD1-CE1 4.31Å; Y41-F80 HydrophobicContact CD1-CZ 4.19Å; Y41-F80 AromaticContact CE1-CE1 3.64Å; Y41-F80 HydrophobicContact CE1-CE1 3.64Å; Y41-F80 HydrophobicContact CE1-CE2 4.45Å; Y41-F80 AromaticContact CE1-CZ 3.39Å; Y41-F80 HydrophobicContact CE1-CZ 3.39Å; Y41-F80 AromaticContact CZ-CZ 3.59Å; F52-F80 HydrophobicContact CB-CD2 4.15Å; F52-F80 HydrophobicContact CB-CE2 4.02Å; L55-F80 HydrophobicContact CD1-CE2 4.19Å; L55-F80 HydrophobicContact CD1-CZ 3.66Å; K76-F80 PolarHBondContact O-N 3.44Å; K76-F80 VanDerWaalsContact O-N 3.07Å; R77-F80 PolarHBondContact O-N 2.81Å; F80-S82 PolarHBondContact O-N 2.6Å; F80-R83 PolarHBondContact O-N 3.26Å; F80-V84 HydrophobicContact CD1-CG2 4.39Å; F80-V84 HydrophobicContact CD2-CG2 4.49Å; F80-V84 HydrophobicContact CE1-CG2 3.97Å; F80-V84 HydrophobicContact CE2-CG2 4.09Å; F80-V84 HydrophobicContact CZ-CG2 3.81Å; F80-V84 PolarHBondContact O-N 3.48Å; F80-V84 VanDerWaalsContact O-N 3.14Å
81L87.3Confident82.6Confident0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-63.4-39.5-178.9-71176.4000111.8I13 V43 L63 M69 L73 R77 G78 R83 V84 L85 V108I13-L81 HydrophobicContact CD1-CD2 4.49Å; I13-L81 HydrophobicContact CG2-CD2 4.02Å; V43-L81 HydrophobicContact CG2-CD2 4.48Å; L63-L81 HydrophobicContact CD1-CD2 4.26Å; M69-L81 HydrophobicContact SD-CD1 4.34Å; L73-L81 HydrophobicContact CD1-CD1 4.49Å; L73-L81 HydrophobicContact CD2-CD1 4.33Å; L73-L81 HydrophobicContact CG-CD1 4.48Å; R77-L81 WeakPolarHBondContact O-CB 3.12Å; R77-L81 WeakPolarHBondContact O-CG 3.47Å; R77-L81 PolarHBondContact O-N 3.22Å; G78-L81 PolarHBondContact O-N 3.1Å; L81-R83 PolarHBondContact O-N 3.33Å; L81-V84 PolarHBondContact O-N 2.73Å; L81-L85 HydrophobicContact CB-CD1 4.13Å; L81-L85 HydrophobicContact CD2-CD1 4.34Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 3.45Å; L81-V108 HydrophobicContact CB-CG1 3.97Å; L81-V108 HydrophobicContact CB-CG2 4.36Å; L81-V108 HydrophobicContact CD1-CG2 4.49Å
82S83.4Confident82.9Confident3 Ų332.8 Ų32.82%0.02118%0.178CC..Hα-helixtrans-59.7-31.2177.8660000113.1G78 F79 F80 L294G78-S82 WeakPolarHBondContact O-CB 3.45Å; G78-S82 PolarHBondContact O-N 3.08Å; G78-S82 PolarHBondContact O-OG 3.46Å; F79-S82 PolarHBondContact O-OG 2.81Å; F80-S82 PolarHBondContact O-N 2.6Å; S82-L294 WeakPolarHBondContact O-CD2 3.34Å
83R81.7Confident83.6Confident20 Ų2031.8 Ų31.88%0.07517%0.168CC..Hα-helixtrans-79-47.2176.2-70.7-174.7156.8-148.7-12113.5F52 F80 L81 L85 S86 L294 M297F52-R83 HydrophobicContact CD2-CB 3.85Å; F52-R83 HydrophobicContact CD2-CG 4.4Å; F52-R83 HydrophobicContact CG-CB 4.44Å; F52-R83 VanDerWaalsContact CZ-NH1 3.35Å; F80-R83 PolarHBondContact O-N 3.26Å; L81-R83 PolarHBondContact O-N 3.33Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.36Å; R83-S86 PolarHBondContact O-N 3.03Å; R83-L294 HydrophobicContact CG-CD1 3.58Å; R83-L294 HydrophobicContact CG-CG 4.29Å; R83-L294 PolarHBondContact NE-O 3.41Å; R83-L294 PolarHBondContact NH2-O 3.25Å; R83-M297 PolarHBondContact NH1-O 3.39Å; R83-M297 VanDerWaalsContact NH2-C 3.31Å; R83-M297 PolarHBondContact NH2-O 3.46Å
84V86.8Confident84.2Confident0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-68.1-35.1-178-179.90000111.2L11 I13 F52 L55 K61 F80 L81 S86L11-V84 HydrophobicContact CD2-CG1 3.52Å; I13-V84 HydrophobicContact CD1-CB 4.35Å; I13-V84 HydrophobicContact CD1-CG1 3.57Å; F52-V84 HydrophobicContact CB-CG2 3.71Å; L55-V84 HydrophobicContact CB-CG1 3.81Å; L55-V84 HydrophobicContact CB-CG2 4.04Å; L55-V84 HydrophobicContact CD1-CG2 4.43Å; K61-V84 WeakPolarHBondContact CD-O 3.44Å; K61-V84 WeakPolarHBondContact CE-O 3.47Å; F80-V84 HydrophobicContact CD1-CG2 4.39Å; F80-V84 HydrophobicContact CD2-CG2 4.49Å; F80-V84 HydrophobicContact CE1-CG2 3.97Å; F80-V84 HydrophobicContact CE2-CG2 4.09Å; F80-V84 HydrophobicContact CZ-CG2 3.81Å; F80-V84 PolarHBondContact O-N 3.48Å; F80-V84 VanDerWaalsContact O-N 3.14Å; L81-V84 PolarHBondContact O-N 2.73Å; V84-S86 PolarHBondContact O-N 2.82Å
85L88.9Confident85Confident2 Ų227.2 Ų27.21%0.0115%0.146CC..THydrogen-bonded Turntrans-86.724.1179.9-57.3174.4000113.1I13 K61 L63 L81 R83 V91 I110I13-L85 HydrophobicContact CD1-CD2 3.86Å; I13-L85 HydrophobicContact CD1-CG 4.5Å; K61-L85 HydrophobicContact CB-CD2 3.83Å; L63-L85 HydrophobicContact CB-CD2 4.44Å; L63-L85 HydrophobicContact CD2-CD1 3.97Å; L81-L85 HydrophobicContact CB-CD1 4.13Å; L81-L85 HydrophobicContact CD2-CD1 4.34Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.37Å; L81-L85 PolarHBondContact O-N 3.45Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.36Å; L85-V91 HydrophobicContact CB-CG2 3.9Å; L85-V91 HydrophobicContact CD2-CG1 3.96Å; L85-V91 HydrophobicContact CD2-CG2 4.17Å; L85-V91 VanDerWaalsContact O-CG2 3.23Å; L85-V91 WeakPolarHBondContact O-CG2 3.27Å; L85-I110 HydrophobicContact CB-CD1 3.72Å; L85-I110 HydrophobicContact CB-CG1 4.39Å; L85-I110 HydrophobicContact CD1-CD1 3.57Å; L85-I110 HydrophobicContact CG-CD1 4.29Å
86S82.3Confident86.1Confident46 Ų4623.3 Ų23.332%0.32213%0.128SC..  trans-102.5142.3169.3-171.70000110.9K61 R83 V84K61-S86 PolarHBondContact NZ-O 3.2Å; R83-S86 PolarHBondContact O-N 3.03Å; V84-S86 PolarHBondContact O-N 2.82Å
87P85.2Confident86.6Confident67 Ų6717.8 Ų17.844%0.43512%0.115SC..SBendcis-74.3156.1-14.233.7-35.5000111.6A89 C90P87-A89 VanDerWaalsContact C-N 3.3Å; P87-A89 PolarHBondContact O-N 3.22Å; P87-C90 HydrophobicContact CG-CB 4.23Å; P87-C90 WeakPolarHBondContact O-CB 3.4Å; P87-C90 PolarHBondContact O-N 3.38Å
88A85.8Confident87Confident10 Ų1016.5 Ų16.58%0.08311%0.113CC..G310 helixtrans-59.3-36.9-176.200000113.3C90 V91 I110 N111 E114A88-C90 PolarHBondContact O-N 2.88Å; A88-V91 WeakPolarHBondContact O-CB 3.24Å; A88-V91 PolarHBondContact O-N 2.86Å; A88-I110 HydrophobicContact CB-CG2 3.74Å; A88-N111 HydrophobicContact CB-CB 4.01Å; A88-E114 HydrophobicContact CB-CB 3.78Å
89A86.5Confident87Confident54 Ų5424.5 Ų24.545%0.44616%0.155SC..G310 helixtrans-62-8.7174.400000115.4P87 E114P87-A89 VanDerWaalsContact C-N 3.3Å; P87-A89 PolarHBondContact O-N 3.22Å; A89-E114 HydrophobicContact CB-CB 4.36Å; A89-E114 PolarHBondContact N-OE2 3.02Å
90C89.9Confident87.5Confident18 Ų1825.8 Ų25.812%0.12217%0.166CC..G310 helixtrans-101.49.3171.4-68.20000113.1C60 K61 P87 A88C60-C90 CarbonylContact C-O 3.6Å; C60-C90 WeakPolarHBondContact CA-O 3.3Å; K61-C90 HydrophobicContact CD-CB 4.42Å; K61-C90 PolarHBondContact N-O 3.05Å; P87-C90 HydrophobicContact CG-CB 4.23Å; P87-C90 WeakPolarHBondContact O-CB 3.4Å; P87-C90 PolarHBondContact O-N 3.38Å; A88-C90 PolarHBondContact O-N 2.88Å
91V92.8Very high87.7Confident1 Ų125.2 Ų25.21%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-108.8136.2-174.5-175.80000111.5K61 L85 A88 V93 L116K61-V91 WeakPolarHBondContact O-CA 3.47Å; L85-V91 HydrophobicContact CB-CG2 3.9Å; L85-V91 HydrophobicContact CD2-CG1 3.96Å; L85-V91 HydrophobicContact CD2-CG2 4.17Å; L85-V91 VanDerWaalsContact O-CG2 3.23Å; L85-V91 WeakPolarHBondContact O-CG2 3.27Å; A88-V91 WeakPolarHBondContact O-CB 3.24Å; A88-V91 PolarHBondContact O-N 2.86Å; V91-V93 HydrophobicContact CG1-CG2 3.99Å; V91-L116 PolarHBondContact O-N 3.49Å
92A93.3Very high87.6Confident0 Ų029 Ų290%019%0.188CC..EExtended strand (participates in β ladder)trans-116.4142.5160.400000109.7K61 L62 L63 L116 I118 I134K61-A92 PolarHBondContact O-N 3.28Å; L62-A92 CarbonylContact C-O 3.56Å; L62-A92 WeakPolarHBondContact CA-O 3.43Å; L62-A92 HydrophobicContact CD1-CB 3.7Å; L63-A92 PolarHBondContact N-O 2.73Å; A92-L116 CarbonylContact C-O 3.52Å; A92-L116 VanDerWaalsContact CA-O 3.26Å; A92-L116 WeakPolarHBondContact CA-O 3.4Å; A92-L116 HydrophobicContact CB-CB 4.35Å; A92-I118 HydrophobicContact CB-CD1 3.85Å; A92-I134 HydrophobicContact CB-CD1 3.92Å
93V94.6Very high87.6Confident1 Ų131.3 Ų31.31%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-123.8115174.9-175.60000109.5L63 L65 V91 L95 L101 L116 I118L63-V93 HydrophobicContact CB-CG2 4.24Å; L63-V93 HydrophobicContact CD2-CG1 4.32Å; L63-V93 HydrophobicContact CD2-CG2 4.33Å; L63-V93 CarbonylContact O-C 3.49Å; L63-V93 WeakPolarHBondContact O-CA 3.46Å; L65-V93 HydrophobicContact CB-CG1 3.69Å; L65-V93 HydrophobicContact CD2-CG1 4.15Å; V91-V93 HydrophobicContact CG1-CG2 3.99Å; V93-L95 HydrophobicContact CG1-CD2 4.27Å; V93-L101 HydrophobicContact CB-CD1 4.08Å; V93-L101 HydrophobicContact CG1-CD1 3.78Å; V93-L101 HydrophobicContact CG2-CD1 4.06Å; V93-L116 PolarHBondContact N-O 3.3Å; V93-I118 PolarHBondContact O-N 3.25Å
94L94.3Very high87.9Confident1 Ų130.5 Ų30.51%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-83.3117.9170.6174.964.1000109.3W21 L25 L62 L63 I64 L65 C96 I118 C120 Y127W21-L94 HydrophobicContact CD2-CD2 4.22Å; W21-L94 HydrophobicContact CE3-CD2 3.62Å; W21-L94 HydrophobicContact CZ3-CD2 3.9Å; L25-L94 HydrophobicContact CD1-CD2 3.81Å; L62-L94 HydrophobicContact CD1-CB 4.42Å; L63-L94 PolarHBondContact O-N 3.09Å; I64-L94 HydrophobicContact CG2-CD2 4.23Å; L65-L94 PolarHBondContact N-O 3.05Å; L94-C96 PolarHBondContact O-N 3.18Å; L94-I118 WeakPolarHBondContact CA-O 3.35Å; L94-I118 HydrophobicContact CD1-CB 4.33Å; L94-I118 HydrophobicContact CD1-CG2 3.73Å; L94-C120 HydrophobicContact CD1-CB 4.27Å; L94-Y127 HydrophobicContact CD1-CE1 4.1Å
95L92.6Very high87.7Confident15 Ų1533 Ų338%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-76.9112.4171.7-56.9-170000109.5L65 V93 V98 Q117 I118 C120L65-L95 HydrophobicContact CD2-CD2 3.96Å; V93-L95 HydrophobicContact CG1-CD2 4.27Å; L95-V98 HydrophobicContact CB-CG2 3.99Å; L95-V98 HydrophobicContact CD2-CG2 3.98Å; L95-V98 HydrophobicContact CG-CG2 4.48Å; L95-Q117 HydrophobicContact CD1-CG 4.01Å; L95-Q117 HydrophobicContact CD2-CG 4.36Å; L95-Q117 HydrophobicContact CG-CG 3.99Å; L95-I118 PolarHBondContact N-O 2.71Å; L95-C120 WeakPolarHBondContact O-CB 3.45Å
96C90.5Very high87.2Confident1 Ų136.5 Ų36.51%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-116.487-175.5177.70000110.2W21 I64 L65 S66 L94W21-C96 VanDerWaalsContact CD1-SG 3.54Å; I64-C96 HydrophobicContact CG2-CB 3.75Å; L65-C96 PolarHBondContact O-N 3.33Å; S66-C96 WeakPolarHBondContact CA-O 3.44Å; L94-C96 PolarHBondContact O-N 3.18Å
97G82.9Confident87Confident39 Ų3937.1 Ų37.140%0.40223%0.23SC..SBendtrans75.125.9-177.100000114.2
98V86.6Confident86.8Confident21 Ų2134 Ų3413%0.12721%0.209CC..  trans-133.8137.7177.9-59.80000110.1L65 L70 L95L65-V98 HydrophobicContact CB-CG2 4.41Å; L65-V98 HydrophobicContact CD2-CG2 4.14Å; L65-V98 HydrophobicContact CG-CG2 4.09Å; L65-V98 VanDerWaalsContact O-CG2 3.28Å; L65-V98 WeakPolarHBondContact O-CG2 3.44Å; L70-V98 HydrophobicContact CD1-CB 4.44Å; L70-V98 HydrophobicContact CD1-CG1 3.9Å; L95-V98 HydrophobicContact CB-CG2 3.99Å; L95-V98 HydrophobicContact CD2-CG2 3.98Å; L95-V98 HydrophobicContact CG-CG2 4.48Å
99D82.5Confident86.2Confident170 Ų17035.1 Ų35.191%0.90922%0.215SC*.SBendtrans-82.5-14.5-169.6-52.1-63.4000114.5
100S86.1Confident86Confident47 Ų4733.7 Ų33.733%0.32920%0.2SC..  trans-160.4160.6-178.564.80000113.9P103S100-P103 WeakPolarHBondContact O-CD 3.36Å
101L87.6Confident85.4Confident14 Ų1434.8 Ų34.87%0.07321%0.205CC..SBendtrans-75.6-19.9175-170.160.8000113.6L65 V93 P103 L104 L105L65-L101 HydrophobicContact CD2-CD1 4.07Å; V93-L101 HydrophobicContact CB-CD1 4.08Å; V93-L101 HydrophobicContact CG1-CD1 3.78Å; V93-L101 HydrophobicContact CG2-CD1 4.06Å; L101-P103 VanDerWaalsContact C-CD 3.47Å; L101-L104 HydrophobicContact CD1-CB 4.3Å; L101-L104 HydrophobicContact CD1-CD2 3.77Å; L101-L104 VanDerWaalsContact O-CB 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.45Å; L101-L104 PolarHBondContact O-N 2.8Å; L101-L105 HydrophobicContact CD2-CD1 4.32Å; L101-L105 HydrophobicContact CD2-CD2 4.44Å; L101-L105 HydrophobicContact CG-CD1 4.13Å; L101-L105 HydrophobicContact CG-CD2 4.38Å; L101-L105 HydrophobicContact CG-CG 4.1Å; L101-L105 PolarHBondContact O-N 2.89Å
102T84.8Confident84.6Confident79 Ų7936.6 Ų36.649%0.48522%0.22SC..Hα-helixtrans-51-44.5-172.3-41.40000114.9L104 L105 D106T102-L104 PolarHBondContact O-N 2.88Å; T102-L104 VanDerWaalsContact O-N 3.16Å; T102-L105 PolarHBondContact O-N 3.26Å; T102-D106 PolarHBondContact O-N 2.92Å; T102-D106 VanDerWaalsContact O-N 3.09Å
103P84.6Confident83.8Confident52 Ų5244 Ų4434%0.33826%0.259SS..Hα-helixtrans-66.5-16.8-179.8-20.834.8000114.6L70 S100 L101 Q107L70-P103 HydrophobicContact CD1-CB 3.99Å; L70-P103 HydrophobicContact CD1-CG 4.44Å; L70-P103 HydrophobicContact CD2-CB 3.91Å; S100-P103 WeakPolarHBondContact O-CD 3.36Å; L101-P103 VanDerWaalsContact C-CD 3.47Å; P103-Q107 PolarHBondContact O-NE2 3.18Å; P103-Q107 VanDerWaalsContact O-NE2 3.12Å
104L86.8Confident83.2Confident2 Ų248.2 Ų48.21%0.0128%0.279CS..Hα-helixtrans-79.4-45.1168.9-176.768.3000110.5L63 L65 L70 L73 L101 T102 D106 Q107 V108L63-L104 HydrophobicContact CD2-CD1 4.34Å; L63-L104 HydrophobicContact CD2-CD2 3.55Å; L65-L104 HydrophobicContact CD1-CB 4.25Å; L65-L104 HydrophobicContact CD1-CD1 4.04Å; L65-L104 HydrophobicContact CD1-CD2 4.26Å; L65-L104 HydrophobicContact CD1-CG 4.41Å; L65-L104 HydrophobicContact CD2-CB 4.1Å; L65-L104 HydrophobicContact CD2-CD2 4.36Å; L70-L104 HydrophobicContact CD2-CB 4.29Å; L73-L104 HydrophobicContact CD1-CD1 3.55Å; L101-L104 HydrophobicContact CD1-CB 4.3Å; L101-L104 HydrophobicContact CD1-CD2 3.77Å; L101-L104 VanDerWaalsContact O-CB 3.32Å; L101-L104 WeakPolarHBondContact O-CB 3.45Å; L101-L104 PolarHBondContact O-N 2.8Å; T102-L104 PolarHBondContact O-N 2.88Å; T102-L104 VanDerWaalsContact O-N 3.16Å; L104-D106 VanDerWaalsContact C-N 3.29Å; L104-D106 PolarHBondContact O-N 3.33Å; L104-Q107 CarbonylContact O-C 3.58Å; L104-Q107 WeakPolarHBondContact O-CA 3.43Å; L104-Q107 PolarHBondContact O-N 3.04Å; L104-V108 HydrophobicContact CD1-CB 4.22Å; L104-V108 HydrophobicContact CD1-CG2 3.63Å; L104-V108 HydrophobicContact CG-CB 4.37Å; L104-V108 HydrophobicContact CG-CG2 4.28Å; L104-V108 PolarHBondContact O-N 3.35Å
105L84Confident82.9Confident54 Ų5448.9 Ų48.928%0.28328%0.283SS..Hα-helixtrans-64.6-30.8-176.9-59.3171.6000112.9L101 T102 Q107 I110 A112L101-L105 HydrophobicContact CD2-CD1 4.32Å; L101-L105 HydrophobicContact CD2-CD2 4.44Å; L101-L105 HydrophobicContact CG-CD1 4.13Å; L101-L105 HydrophobicContact CG-CD2 4.38Å; L101-L105 HydrophobicContact CG-CG 4.1Å; L101-L105 PolarHBondContact O-N 2.89Å; T102-L105 PolarHBondContact O-N 3.26Å; L105-Q107 PolarHBondContact O-N 3.4Å; L105-I110 HydrophobicContact CD2-CB 4.44Å; L105-A112 HydrophobicContact CD1-CB 3.75Å; L105-A112 HydrophobicContact CD2-CB 4.28Å
106D78.5Confident82.8Confident74 Ų7450.9 Ų50.940%0.39629%0.294SS..THydrogen-bonded Turntrans-68.2-7.5172.4-73.3-25.6000113.8T102 L104 K381T102-D106 PolarHBondContact O-N 2.92Å; T102-D106 VanDerWaalsContact O-N 3.09Å; L104-D106 VanDerWaalsContact C-N 3.29Å; L104-D106 PolarHBondContact O-N 3.33Å; D106-K381 WeakPolarHBondContact O-CE 3.45Å; D106-K381 PolarHBondContact O-NZ 3.36Å
107Q77.2Confident82.8Confident60 Ų6056 Ų5628%0.2832%0.318SS..THydrogen-bonded Turntrans-131.6-23.2-172.7-56.6-164.187.300114.1L73 P103 L104 L105 Q344L73-Q107 HydrophobicContact CD2-CB 4.39Å; L73-Q107 PolarHBondContact O-OE1 2.86Å; P103-Q107 PolarHBondContact O-NE2 3.18Å; P103-Q107 VanDerWaalsContact O-NE2 3.12Å; L104-Q107 CarbonylContact O-C 3.58Å; L104-Q107 WeakPolarHBondContact O-CA 3.43Å; L104-Q107 PolarHBondContact O-N 3.04Å; L105-Q107 PolarHBondContact O-N 3.4Å; Q107-Q344 PolarHBondContact O-NE2 3.17Å; Q107-Q344 VanDerWaalsContact O-NE2 3.08Å
108V81.9Confident83.2Confident0 Ų054.3 Ų54.30%030%0.299CS..SBendtrans-135.3121.2-178.4-165.60000107.9L73 L81 L104 I110L73-V108 HydrophobicContact CD1-CG2 4.34Å; L73-V108 HydrophobicContact CD2-CG2 3.89Å; L81-V108 HydrophobicContact CB-CG1 3.97Å; L81-V108 HydrophobicContact CB-CG2 4.36Å; L81-V108 HydrophobicContact CD1-CG2 4.49Å; L104-V108 HydrophobicContact CD1-CB 4.22Å; L104-V108 HydrophobicContact CD1-CG2 3.63Å; L104-V108 HydrophobicContact CG-CB 4.37Å; L104-V108 HydrophobicContact CG-CG2 4.28Å; L104-V108 PolarHBondContact O-N 3.35Å; V108-I110 HydrophobicContact CB-CD1 4.39Å; V108-I110 HydrophobicContact CG1-CD1 3.78Å; V108-I110 HydrophobicContact CG1-CG1 3.99Å; V108-I110 PolarHBondContact O-N 3.33Å; V108-I110 VanDerWaalsContact O-N 3.12Å
109P72.5Confident83.4Confident34 Ų3455.3 Ų55.322%0.22131%0.307CS..  trans-90.686.2-168.131.4-15.3000109.4L341P109-L341 HydrophobicContact CG-CD2 3.51Å; P109-L341 HydrophobicContact CG-CG 3.92Å
110I81.9Confident83.6Confident24 Ų2448.4 Ų48.412%0.12327%0.272CS..  trans-114.7143.5179.2-59.2167.8000107.7L85 A88 L105 V108 A112 C115L85-I110 HydrophobicContact CB-CD1 3.72Å; L85-I110 HydrophobicContact CB-CG1 4.39Å; L85-I110 HydrophobicContact CD1-CD1 3.57Å; L85-I110 HydrophobicContact CG-CD1 4.29Å; A88-I110 HydrophobicContact CB-CG2 3.74Å; L105-I110 HydrophobicContact CD2-CB 4.44Å; V108-I110 HydrophobicContact CB-CD1 4.39Å; V108-I110 HydrophobicContact CG1-CD1 3.78Å; V108-I110 HydrophobicContact CG1-CG1 3.99Å; V108-I110 PolarHBondContact O-N 3.33Å; V108-I110 VanDerWaalsContact O-N 3.12Å; I110-A112 PolarHBondContact O-N 3.08Å; I110-C115 HydrophobicContact CG2-CB 4.42Å
111N76.7Confident83.5Confident42 Ų4254.5 Ų54.523%0.22530%0.296CS..  trans-72.1111172.9-171.26.6000109.8A88 D113 E114 C115A88-N111 HydrophobicContact CB-CB 4.01Å; N111-D113 VanDerWaalsContact C-N 3.29Å; N111-D113 PolarHBondContact O-N 2.81Å; N111-D113 PolarHBondContact OD1-N 3.2Å; N111-E114 HydrophobicContact CB-CB 4.31Å; N111-E114 HydrophobicContact CB-CG 4.42Å; N111-E114 PolarHBondContact ND2-OE1 3.2Å; N111-E114 PolarHBondContact O-N 3.41Å; N111-C115 WeakPolarHBondContact O-CB 3.43Å; N111-C115 PolarHBondContact O-N 2.67Å
112A76.9Confident83.5Confident38 Ų3855.8 Ų55.831%0.31430%0.301SS..THydrogen-bonded Turntrans-63.4-35-179.800000112.3L105 I110 E114 C115L105-A112 HydrophobicContact CD1-CB 3.75Å; L105-A112 HydrophobicContact CD2-CB 4.28Å; I110-A112 PolarHBondContact O-N 3.08Å; A112-E114 PolarHBondContact O-N 3.26Å; A112-C115 PolarHBondContact O-N 2.98Å
113D76.6Confident83.5Confident155 Ų15557.1 Ų57.183%0.82931%0.305SS*.THydrogen-bonded Turntrans-72-16.9-176.2-57.7-27.6000113.2N111N111-D113 VanDerWaalsContact C-N 3.29Å; N111-D113 PolarHBondContact O-N 2.81Å; N111-D113 PolarHBondContact OD1-N 3.2Å
114E82.1Confident83.4Confident90 Ų9056 Ų5642%0.42130%0.301SS..THydrogen-bonded Turntrans-99-19175.5-76172.7-130.600113.2A88 A89 N111 A112A88-E114 HydrophobicContact CB-CB 3.78Å; A89-E114 HydrophobicContact CB-CB 4.36Å; A89-E114 PolarHBondContact N-OE2 3.02Å; N111-E114 HydrophobicContact CB-CB 4.31Å; N111-E114 HydrophobicContact CB-CG 4.42Å; N111-E114 PolarHBondContact ND2-OE1 3.2Å; N111-E114 PolarHBondContact O-N 3.41Å; A112-E114 PolarHBondContact O-N 3.26Å
115C87.3Confident83.4Confident15 Ų1560.5 Ų60.510%0.10133%0.33CS..SBendtrans-87.8130.6-172.3-176.80000110.9I110 N111 A112 Q117I110-C115 HydrophobicContact CG2-CB 4.42Å; N111-C115 WeakPolarHBondContact O-CB 3.43Å; N111-C115 PolarHBondContact O-N 2.67Å; A112-C115 PolarHBondContact O-N 2.98Å; C115-Q117 PolarHBondContact O-N 2.82Å
116L90.3Very high83.6Confident58 Ų5861.7 Ų61.730%0.30433%0.334SS..EExtended strand (participates in β ladder)trans-79.2119.3178.1-175.559.9000111V91 A92 V93 I118 N130 I134V91-L116 PolarHBondContact O-N 3.49Å; A92-L116 CarbonylContact C-O 3.52Å; A92-L116 VanDerWaalsContact CA-O 3.26Å; A92-L116 WeakPolarHBondContact CA-O 3.4Å; A92-L116 HydrophobicContact CB-CB 4.35Å; V93-L116 PolarHBondContact N-O 3.3Å; L116-I118 HydrophobicContact CD2-CD1 4.46Å; L116-I118 HydrophobicContact CD2-CG1 4.49Å; L116-I118 HydrophobicContact CG-CG1 4.23Å; L116-N130 HydrophobicContact CD2-CB 3.7Å; L116-I134 HydrophobicContact CB-CD1 4.09Å; L116-I134 HydrophobicContact CD2-CD1 3.91Å; L116-I134 HydrophobicContact CD2-CG1 4.48Å
117Q91.6Very high84.1Confident107 Ų10758.4 Ų58.450%0.532%0.316SS..EExtended strand (participates in β ladder)trans-88.2137.4170.9-165.8179.8-7900110.6L95 C115L95-Q117 HydrophobicContact CD1-CG 4.01Å; L95-Q117 HydrophobicContact CD2-CG 4.36Å; L95-Q117 HydrophobicContact CG-CG 3.99Å; C115-Q117 PolarHBondContact O-N 2.82Å
118I91.6Very high84.6Confident4 Ų456.7 Ų56.72%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-128.7137.9-178.2-61.7-175.9000108.8L62 A92 V93 L94 L95 L116 Y127 N130L62-I118 HydrophobicContact CD1-CD1 4.33Å; A92-I118 HydrophobicContact CB-CD1 3.85Å; V93-I118 PolarHBondContact O-N 3.25Å; L94-I118 WeakPolarHBondContact CA-O 3.35Å; L94-I118 HydrophobicContact CD1-CB 4.33Å; L94-I118 HydrophobicContact CD1-CG2 3.73Å; L95-I118 PolarHBondContact N-O 2.71Å; L116-I118 HydrophobicContact CD2-CD1 4.46Å; L116-I118 HydrophobicContact CD2-CG1 4.49Å; L116-I118 HydrophobicContact CG-CG1 4.23Å; I118-Y127 HydrophobicContact CG2-CD1 3.49Å; I118-Y127 VanDerWaalsContact CG2-CD1 3.49Å; I118-Y127 HydrophobicContact CG2-CE1 3.45Å; I118-Y127 VanDerWaalsContact CG2-CE1 3.45Å; I118-N130 HydrophobicContact CD1-CB 4.09Å
119S89.4Confident85Confident42 Ų4260 Ų6029%0.29433%0.332SS..EExtended strand (participates in β ladder)trans-96.5143175.7179.40000111.5E121 Q122 Y127S119-E121 PolarHBondContact O-N 3Å; S119-E121 PolarHBondContact OG-N 3.28Å; S119-Q122 PolarHBondContact O-N 2.7Å; S119-Y127 WeakPolarHBondContact O-CE1 3.43Å; S119-Y127 PolarHBondContact O-OH 2.85Å
120C87.7Confident85.8Confident25 Ų2560.4 Ų60.417%0.16933%0.332CS..THydrogen-bonded Turntrans-67-5.6171.965.80000114.9W21 L94 L95 Y127W21-C120 HydrophobicContact CH2-CB 3.71Å; W21-C120 HydrophobicContact CZ2-CB 3.69Å; L94-C120 HydrophobicContact CD1-CB 4.27Å; L95-C120 WeakPolarHBondContact O-CB 3.45Å; C120-Y127 PolarHBondContact O-OH 2.77Å
121E84.4Confident86.2Confident176 Ų17659.2 Ų59.282%0.82233%0.326SS*.THydrogen-bonded Turntrans-86.4-7.7175.2-60.3-179.214100113.5S119S119-E121 PolarHBondContact O-N 3Å; S119-E121 PolarHBondContact OG-N 3.28Å
122Q86.1Confident86.7Confident41 Ų4159 Ų5919%0.19232%0.324CS..SBendtrans-78.7156.5-177.6-65.9-178.5-94.900112.5S119 E126 Y127S119-Q122 PolarHBondContact O-N 2.7Å; Q122-E126 WeakPolarHBondContact CA-OE1 3.47Å; Q122-E126 HydrophobicContact CB-CB 4.18Å; Q122-E126 WeakPolarHBondContact CB-OE1 3.38Å; Q122-E126 PolarHBondContact NE2-OE2 2.92Å; Q122-Y127 HydrophobicContact CB-CD1 4.49Å; Q122-Y127 HydrophobicContact CB-CE1 3.8Å; Q122-Y127 PolarHBondContact N-OH 3.48Å; Q122-Y127 VanDerWaalsContact O-CE2 3.27Å; Q122-Y127 WeakPolarHBondContact O-CE2 3.44Å; Q122-Y127 PolarHBondContact O-OH 3.04Å
123D84.9Confident87.2Confident107 Ų10759.4 Ų59.457%0.57232%0.321SS*.  trans-82.1154.3179.9-90.3-33.9000112.8P125 E126 Y127D123-P125 HydrophobicContact CB-CG 4.22Å; D123-E126 PolarHBondContact N-OE1 2.69Å; D123-E126 WeakPolarHBondContact O-CA 3.18Å; D123-E126 WeakPolarHBondContact O-CB 3.16Å; D123-E126 PolarHBondContact O-N 2.97Å; D123-Y127 PolarHBondContact O-N 2.96Å
124A84Confident87.8Confident29 Ų2952.5 Ų52.524%0.2428%0.284CS..Hα-helixtrans-44-49.5178.100000115.5E126 Y127 V128A124-E126 VanDerWaalsContact C-N 3.26Å; A124-E126 PolarHBondContact O-N 3.42Å; A124-Y127 PolarHBondContact O-N 3.22Å; A124-V128 WeakPolarHBondContact O-CG2 3.48Å; A124-V128 PolarHBondContact O-N 2.92Å
125P85.4Confident88.1Confident95 Ų9548.8 Ų48.862%0.61727%0.267SS*.Hα-helixtrans-60.5-26.517522.4-36.2000114.9D123 C129D123-P125 HydrophobicContact CB-CG 4.22Å; P125-C129 VanDerWaalsContact O-CB 3.26Å; P125-C129 WeakPolarHBondContact O-CB 3.47Å; P125-C129 PolarHBondContact O-N 3.35Å
126E88.3Confident87.9Confident80 Ų8054 Ų5437%0.37428%0.284SS..Hα-helixtrans-71.3-44.9176.6-63.5-177.7-103.400111.2Q122 D123 A124 V128 C129 N130Q122-E126 WeakPolarHBondContact CA-OE1 3.47Å; Q122-E126 HydrophobicContact CB-CB 4.18Å; Q122-E126 WeakPolarHBondContact CB-OE1 3.38Å; Q122-E126 PolarHBondContact NE2-OE2 2.92Å; D123-E126 PolarHBondContact N-OE1 2.69Å; D123-E126 WeakPolarHBondContact O-CA 3.18Å; D123-E126 WeakPolarHBondContact O-CB 3.16Å; D123-E126 PolarHBondContact O-N 2.97Å; A124-E126 VanDerWaalsContact C-N 3.26Å; A124-E126 PolarHBondContact O-N 3.42Å; E126-V128 VanDerWaalsContact C-N 3.29Å; E126-V128 PolarHBondContact O-N 3.41Å; E126-C129 PolarHBondContact O-N 3.08Å; E126-N130 VanDerWaalsContact O-CB 3.29Å; E126-N130 WeakPolarHBondContact O-CB 3.23Å; E126-N130 VanDerWaalsContact O-CG 3.3Å; E126-N130 PolarHBondContact O-N 3.2Å; E126-N130 PolarHBondContact O-ND2 2.95Å; E126-N130 VanDerWaalsContact O-ND2 3.1Å
127Y88.9Confident87.4Confident4 Ų456.9 Ų56.92%0.01630%0.295CS..Hα-helixtrans-56.2-46.6173.7-55.5-48.5000110.9W21 Y24 L25 L94 I118 S119 C120 Q122 D123 A124 V131W21-Y127 HydrophobicContact CZ3-CE2 4.44Å; Y24-Y127 HydrophobicContact CE1-CE2 4.36Å; L25-Y127 HydrophobicContact CD2-CD2 4.21Å; L25-Y127 HydrophobicContact CD2-CG 4.24Å; L94-Y127 HydrophobicContact CD1-CE1 4.1Å; I118-Y127 HydrophobicContact CG2-CD1 3.49Å; I118-Y127 VanDerWaalsContact CG2-CD1 3.49Å; I118-Y127 HydrophobicContact CG2-CE1 3.45Å; I118-Y127 VanDerWaalsContact CG2-CE1 3.45Å; S119-Y127 WeakPolarHBondContact O-CE1 3.43Å; S119-Y127 PolarHBondContact O-OH 2.85Å; C120-Y127 PolarHBondContact O-OH 2.77Å; Q122-Y127 HydrophobicContact CB-CD1 4.49Å; Q122-Y127 HydrophobicContact CB-CE1 3.8Å; Q122-Y127 PolarHBondContact N-OH 3.48Å; Q122-Y127 VanDerWaalsContact O-CE2 3.27Å; Q122-Y127 WeakPolarHBondContact O-CE2 3.44Å; Q122-Y127 PolarHBondContact O-OH 3.04Å; D123-Y127 PolarHBondContact O-N 2.96Å; A124-Y127 PolarHBondContact O-N 3.22Å; Y127-V131 PolarHBondContact O-N 3.4Å; Y127-V131 VanDerWaalsContact O-N 3.08Å
128V88.6Confident86Confident25 Ų2552.7 Ų52.715%0.15228%0.28CS..Hα-helixtrans-60.1-47.6176.1172.30000111.6A28 F29 Q32 A124 E126 M132A28-V128 WeakPolarHBondContact O-CG2 3.2Å; F29-V128 HydrophobicContact CD1-CG2 4.07Å; F29-V128 HydrophobicContact CE1-CG2 4.26Å; Q32-V128 HydrophobicContact CB-CG1 4.45Å; Q32-V128 HydrophobicContact CG-CG1 3.88Å; A124-V128 WeakPolarHBondContact O-CG2 3.48Å; A124-V128 PolarHBondContact O-N 2.92Å; E126-V128 VanDerWaalsContact C-N 3.29Å; E126-V128 PolarHBondContact O-N 3.41Å; V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 VanDerWaalsContact O-CB 3.23Å; V128-M132 WeakPolarHBondContact O-CB 3.35Å; V128-M132 WeakPolarHBondContact O-CG 3.36Å; V128-M132 PolarHBondContact O-N 3.18Å
129C89.1Confident84.2Confident70 Ų7056.9 Ų56.947%0.47331%0.306SS..Hα-helixtrans-60.6-53.3179.4-168.10000111.1P125 E126 V131 M132 D133P125-C129 VanDerWaalsContact O-CB 3.26Å; P125-C129 WeakPolarHBondContact O-CB 3.47Å; P125-C129 PolarHBondContact O-N 3.35Å; E126-C129 PolarHBondContact O-N 3.08Å; C129-V131 PolarHBondContact O-N 3.11Å; C129-M132 PolarHBondContact O-N 2.92Å; C129-D133 WeakPolarHBondContact O-CB 3.31Å; C129-D133 PolarHBondContact O-N 3.43Å
130N90Very high82.2Confident41 Ų4160.6 Ų60.622%0.21932%0.321CS..Hα-helixtrans-56.6-49.5-177.9-78.7-35.1000112.9L116 I118 E126 D133 I134L116-N130 HydrophobicContact CD2-CB 3.7Å; I118-N130 HydrophobicContact CD1-CB 4.09Å; E126-N130 VanDerWaalsContact O-CB 3.29Å; E126-N130 WeakPolarHBondContact O-CB 3.23Å; E126-N130 VanDerWaalsContact O-CG 3.3Å; E126-N130 PolarHBondContact O-N 3.2Å; E126-N130 PolarHBondContact O-ND2 2.95Å; E126-N130 VanDerWaalsContact O-ND2 3.1Å; N130-D133 WeakPolarHBondContact O-CB 3.28Å; N130-D133 PolarHBondContact O-N 3.17Å; N130-I134 PolarHBondContact O-N 3.21Å
131V90.2Very high80.1Confident0 Ų066 Ų660%035%0.348CS..Hα-helixtrans-68.4-42.2179.3166.20000111.8L10 F29 C60 L62 Y127 C129 D133 I134 I135L10-V131 HydrophobicContact CD1-CG1 3.77Å; L10-V131 HydrophobicContact CD2-CG1 4.12Å; L10-V131 HydrophobicContact CG-CG1 4.45Å; F29-V131 HydrophobicContact CD1-CG1 4.46Å; F29-V131 HydrophobicContact CE1-CB 3.7Å; F29-V131 HydrophobicContact CE1-CG1 4Å; F29-V131 HydrophobicContact CE1-CG2 3.84Å; F29-V131 HydrophobicContact CZ-CB 4.02Å; F29-V131 HydrophobicContact CZ-CG1 4.32Å; F29-V131 HydrophobicContact CZ-CG2 3.63Å; C60-V131 HydrophobicContact CB-CG1 4.37Å; L62-V131 HydrophobicContact CD2-CG2 4.39Å; Y127-V131 PolarHBondContact O-N 3.4Å; Y127-V131 VanDerWaalsContact O-N 3.08Å; C129-V131 PolarHBondContact O-N 3.11Å; V131-D133 PolarHBondContact O-N 3.04Å; V131-I134 PolarHBondContact O-N 3.4Å; V131-I135 HydrophobicContact CG1-CD1 3.89Å; V131-I135 WeakPolarHBondContact O-CG1 3.28Å; V131-I135 PolarHBondContact O-N 3.28Å
132M88.1Confident77.8Confident37 Ų3762.7 Ų62.718%0.18234%0.34CS..Hα-helixtrans-67.6-27.5178.1-69.4-67.5-80.300112.2Q32 I33 V128 C129 I135 R136Q32-M132 HydrophobicContact CB-CE 4.39Å; I33-M132 HydrophobicContact CD1-SD 4.05Å; I33-M132 HydrophobicContact CG1-SD 3.75Å; V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 VanDerWaalsContact O-CB 3.23Å; V128-M132 WeakPolarHBondContact O-CB 3.35Å; V128-M132 WeakPolarHBondContact O-CG 3.36Å; V128-M132 PolarHBondContact O-N 3.18Å; C129-M132 PolarHBondContact O-N 2.92Å; M132-I135 HydrophobicContact SD-CD1 4.15Å; M132-R136 VanDerWaalsContact C-NH2 3.35Å; M132-R136 WeakPolarHBondContact O-CB 3.45Å; M132-R136 VanDerWaalsContact O-CG 3.3Å; M132-R136 WeakPolarHBondContact O-CG 3.44Å; M132-R136 PolarHBondContact O-N 3.17Å; M132-R136 PolarHBondContact O-NE 3.04Å
133D87Confident75.3Confident46 Ų4669.2 Ų69.225%0.24637%0.368CS..Hα-helixtrans-65.5-44172.4-113.452.2000112.1C129 N130 V131 R136 K137C129-D133 WeakPolarHBondContact O-CB 3.31Å; C129-D133 PolarHBondContact O-N 3.43Å; N130-D133 WeakPolarHBondContact O-CB 3.28Å; N130-D133 PolarHBondContact O-N 3.17Å; V131-D133 PolarHBondContact O-N 3.04Å; D133-R136 PolarHBondContact O-N 3.38Å; D133-R136 IonicContact OD1-CZ 3.97Å; D133-R136 IonicContact OD1-NH1 3.18Å; D133-R136 PolarHBondContact OD1-NH1 3.33Å; D133-R136 IonicContact OD1-NH2 2.71Å; D133-R136 PolarHBondContact OD1-NH2 3.38Å; D133-K137 WeakPolarHBondContact O-CB 3.06Å; D133-K137 WeakPolarHBondContact O-CD 3.49Å; D133-K137 VanDerWaalsContact O-CG 3.22Å; D133-K137 WeakPolarHBondContact O-CG 3.42Å; D133-K137 PolarHBondContact O-N 2.94Å; D133-K137 VanDerWaalsContact OD2-CE 3.31Å; D133-K137 WeakPolarHBondContact OD2-CE 3.35Å; D133-K137 IonicContact OD2-NZ 3.05Å; D133-K137 PolarHBondContact OD2-NZ 2.88Å
134I88.9Confident72.4Confident11 Ų1169.4 Ų69.46%0.05637%0.373CS..Hα-helixtrans-62-48.7174.4-65.9169.5000110.3C60 A92 L116 N130 V131 R136 K137 G138C60-I134 HydrophobicContact CB-CB 4.35Å; C60-I134 HydrophobicContact CB-CG2 3.87Å; A92-I134 HydrophobicContact CB-CD1 3.92Å; L116-I134 HydrophobicContact CB-CD1 4.09Å; L116-I134 HydrophobicContact CD2-CD1 3.91Å; L116-I134 HydrophobicContact CD2-CG1 4.48Å; N130-I134 PolarHBondContact O-N 3.21Å; V131-I134 PolarHBondContact O-N 3.4Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 3.37Å; I134-K137 PolarHBondContact O-N 3.41Å; I134-K137 VanDerWaalsContact O-N 3.16Å; I134-G138 PolarHBondContact O-N 3.28Å
135I88.3Confident69.7Low12 Ų1273.4 Ų73.46%0.06240%0.397CS..Hα-helixtrans-59.4-42178.9-64.9169000111.1K9 I33 A59 C60 V131 M132 T139K9-I135 HydrophobicContact CB-CD1 4.48Å; I33-I135 HydrophobicContact CD1-CD1 3.66Å; A59-I135 HydrophobicContact CB-CG1 4.38Å; A59-I135 HydrophobicContact CB-CG2 4.35Å; C60-I135 HydrophobicContact CB-CD1 4.23Å; C60-I135 HydrophobicContact CB-CG1 3.63Å; V131-I135 HydrophobicContact CG1-CD1 3.89Å; V131-I135 WeakPolarHBondContact O-CG1 3.28Å; V131-I135 PolarHBondContact O-N 3.28Å; M132-I135 HydrophobicContact SD-CD1 4.15Å; I135-T139 PolarHBondContact O-N 3.43Å; I135-T139 PolarHBondContact O-OG1 3.06Å
136R84.2Confident66.8Low123 Ų12374.7 Ų74.746%0.46441%0.408SS..Hα-helixtrans-66.5-40.3176.6-77.9179.9-85.8103.80.7112.3M132 D133 I134 T139M132-R136 VanDerWaalsContact C-NH2 3.35Å; M132-R136 WeakPolarHBondContact O-CB 3.45Å; M132-R136 VanDerWaalsContact O-CG 3.3Å; M132-R136 WeakPolarHBondContact O-CG 3.44Å; M132-R136 PolarHBondContact O-N 3.17Å; M132-R136 PolarHBondContact O-NE 3.04Å; D133-R136 PolarHBondContact O-N 3.38Å; D133-R136 IonicContact OD1-CZ 3.97Å; D133-R136 IonicContact OD1-NH1 3.18Å; D133-R136 PolarHBondContact OD1-NH1 3.33Å; D133-R136 IonicContact OD1-NH2 2.71Å; D133-R136 PolarHBondContact OD1-NH2 3.38Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 3.37Å; R136-T139 PolarHBondContact O-N 2.95Å
137K78.4Confident63.9Low120 Ų12081.6 Ų81.652%0.52243%0.43SS..Hα-helixtrans-66.4-46.1175.9-71.6160.9-168.7160.50112D133 I134 T139 I140D133-K137 WeakPolarHBondContact O-CB 3.06Å; D133-K137 WeakPolarHBondContact O-CD 3.49Å; D133-K137 VanDerWaalsContact O-CG 3.22Å; D133-K137 WeakPolarHBondContact O-CG 3.42Å; D133-K137 PolarHBondContact O-N 2.94Å; D133-K137 VanDerWaalsContact OD2-CE 3.31Å; D133-K137 WeakPolarHBondContact OD2-CE 3.35Å; D133-K137 IonicContact OD2-NZ 3.05Å; D133-K137 PolarHBondContact OD2-NZ 2.88Å; I134-K137 PolarHBondContact O-N 3.41Å; I134-K137 VanDerWaalsContact O-N 3.16Å; K137-T139 PolarHBondContact O-N 3.32Å; K137-I140 PolarHBondContact O-N 3Å; K137-I140 VanDerWaalsContact O-N 3.07Å
138G62.8Low61Low19 Ų1988.1 Ų88.120%0.19647%0.465CS..Hα-helixtrans-60.4-31.3177.200000113.6I134 I140I134-G138 PolarHBondContact O-N 3.28Å; G138-I140 PolarHBondContact O-N 3.29Å
139T53.8Low58Low91 Ų9193.4 Ų93.456%0.55850%0.498SS*.Hα-helixtrans-67.7-20176.7-55.90000113.4I135 R136 K137 T142I135-T139 PolarHBondContact O-N 3.43Å; I135-T139 PolarHBondContact O-OG1 3.06Å; R136-T139 PolarHBondContact O-N 2.95Å; K137-T139 PolarHBondContact O-N 3.32Å; T139-T142 PolarHBondContact O-OG1 3.29Å; T139-T142 VanDerWaalsContact O-OG1 3.14Å
140I47.2Very low55Low120 Ų12098.6 Ų98.662%0.61551%0.512SS*.Hα-helixtrans-86.5-34.2-178.4-64.3166000111.5K137 G138 T142 F143K137-I140 PolarHBondContact O-N 3Å; K137-I140 VanDerWaalsContact O-N 3.07Å; G138-I140 PolarHBondContact O-N 3.29Å; I140-T142 PolarHBondContact O-N 3.04Å; I140-F143 PolarHBondContact O-N 2.99Å
141L43.6Very low51.9Low140 Ų140105.7 Ų105.773%0.73354%0.544SS*.Hα-helixtrans-68.4-16.7-176-69.8171.1000114.2F143L141-F143 VanDerWaalsContact C-N 3.26Å; L141-F143 PolarHBondContact O-N 3.26Å
142T36.4Very low48.7Very low105 Ų105115.2 Ų115.264%0.64459%0.585SS**THydrogen-bonded Turntrans-75.7-8.9176.848.70000114.1T139 I140T139-T142 PolarHBondContact O-OG1 3.29Å; T139-T142 VanDerWaalsContact O-OG1 3.14Å; I140-T142 PolarHBondContact O-N 3.04Å
143F33.3Very low45.8Very low179 Ų179122.3 Ų122.379%0.78562%0.618SS**THydrogen-bonded Turntrans-133.350.5-177-79.8-83.9000114.5I140 L141I140-F143 PolarHBondContact O-N 2.99Å; L141-F143 VanDerWaalsContact C-N 3.26Å; L141-F143 PolarHBondContact O-N 3.26Å
144T24.1Very low42.8Very low111 Ų111130.1 Ų130.168%0.68164%0.644SS**  trans-167.7115.6148.67.20000113.6S146T144-S146 PolarHBondContact O-N 2.99Å
145P27.5Very low39.7Very low113 Ų113137 Ų13773%0.73468%0.68SS**  trans-81.4103.8160.531.2-29000109.4W147P145-W147 VanDerWaalsContact C-N 3.32Å; P145-W147 PolarHBondContact O-N 3.13Å
146S24.8Very low36.8Very low122 Ų122143.9 Ų143.985%0.85371%0.712SS**  trans-75.777.6-179.251.80000112.5T144T144-S146 PolarHBondContact O-N 2.99Å
147W27.8Very low34.1Very low224 Ų224146.5 Ų146.585%0.84873%0.73SS**  trans-91161.4171.2-77.16.6000112.7P145P145-W147 VanDerWaalsContact C-N 3.32Å; P145-W147 PolarHBondContact O-N 3.13Å
148L26.7Very low31.5Very low141 Ų141149.6 Ų149.674%0.73875%0.748SS**  trans64.588.9179.7-74.684.1000117.1
149T25.1Very low29.9Very low137 Ų137156.2 Ų156.284%0.8478%0.775SS**  trans-120.9119.3132.8-51.60000108.2H151T149-H151 PolarHBondContact O-N 3.42Å
150K26Very low28.7Very low179 Ų179157.6 Ų157.678%0.77879%0.788SS**  trans-77.4115.5-172.9-64.9177.8-179.2177.40111
151H24.9Very low27.9Very low190 Ų190157 Ų15788%0.8879%0.794SS**  trans-76.5130.4159.6-96.9-98.1000110.4T149T149-H151 PolarHBondContact O-N 3.42Å
152K24.5Very low27.2Very low199 Ų199161.7 Ų161.787%0.86580%0.802SS**  trans-94.5108.5-175.3-175.7179.1-178.7-178.60108.1
153Q25.8Very low27.1Very low187 Ų187160.7 Ų160.787%0.87481%0.805SS**  trans-60.3147.1171.1-80.7-179.1-41.700110.1
154R24.5Very low27Very low209 Ų209162.7 Ų162.779%0.78981%0.809SS**  trans-122.9114.8176.1-178.9-172.4-168.6-175.83.2106.3E156R154-E156 PolarHBondContact O-N 2.85Å
155D24.7Very low27.7Very low155 Ų155160.9 Ų160.983%0.82981%0.812SS**  trans-67.6118.2178-57.6-72000110.2
156E26.4Very low28.2Very low157 Ų157162 Ų16273%0.73482%0.817SS**  trans-103.3101.5166.9-66.7-154.4150.700109.7R154 M158R154-E156 PolarHBondContact O-N 2.85Å; E156-M158 PolarHBondContact O-N 2.89Å
157Q27.4Very low29.2Very low179 Ų179166.2 Ų166.284%0.83682%0.819SS**  trans-8074.1-170.5-169.7-179.518.900111.6Q159Q157-Q159 PolarHBondContact O-N 3.28Å
158M24.8Very low30.4Very low184 Ų184158.1 Ų158.191%0.90680%0.797SS**  trans-83.3102.7-177.5-167.1162.117800112.7E156E156-M158 PolarHBondContact O-N 2.89Å
159Q28.2Very low32.4Very low159 Ų159157.7 Ų157.774%0.74379%0.786SS**  trans-69.6138.6167.9-60.9179.72.400110.6Q157Q157-Q159 PolarHBondContact O-N 3.28Å
160S29.3Very low35.1Very low119 Ų119151.5 Ų151.583%0.83275%0.747SS**  trans-135.3123.1152.670.80000110.3
161S30.3Very low38.1Very low108 Ų108145.8 Ų145.876%0.75573%0.728SS**  trans-133.3100.7-177.450.70000110
162R28Very low41.2Very low238 Ų238137.2 Ų137.290%0.89869%0.688SS**  trans-148.6134.1157-134168.9-176.3158.72.4110.6
163A36Very low44.3Very low85 Ų85131.1 Ų131.170%0.70267%0.668SS**  trans-117145.8-168.400000111.6
164Y30.6Very low47.3Very low221 Ų221125 Ų12587%0.86764%0.644SS**  trans-144.6144.2157-73.1-68.6000109.6
165G37.4Very low50.5Low73 Ų73118.7 Ų118.775%0.75363%0.632SS**SBendtrans86.1118.6168.100000116.5
166V38.1Very low53.7Low137 Ų137113.9 Ų113.983%0.8360%0.602SS**  trans59106.1163.7-168.70000116.9S168V166-S168 PolarHBondContact O-N 3.24Å
167K45.9Very low57Low209 Ų209106.5 Ų106.591%0.90957%0.568SS**  trans-7586.7169.9-72.5-176.2177.8178.90111.6R169K167-R169 PolarHBondContact O-N 3.16Å
168S53Low60.1Low54 Ų5499.9 Ų99.938%0.37854%0.54SS..  trans-58.6119.2166-60.60000110.6V166 V170 K190V166-S168 PolarHBondContact O-N 3.24Å; S168-V170 PolarHBondContact O-N 3.15Å; S168-K190 PolarHBondContact O-NZ 3.3Å
169R70.6Confident63.2Low133 Ų13392.9 Ų92.950%0.50251%0.509SS..SBendtrans-67.2-15.9177.2-69.4-168.8-179.9-162.92.9113.3K167 K190 D192K167-R169 PolarHBondContact O-N 3.16Å; R169-K190 VanDerWaalsContact O-CB 3.28Å; R169-K190 WeakPolarHBondContact O-CB 3.15Å; R169-K190 WeakPolarHBondContact O-CG 3.27Å; R169-K190 PolarHBondContact O-N 2.83Å; R169-D192 WeakPolarHBondContact CD-OD2 3.49Å; R169-D192 IonicContact CZ-OD1 2.69Å; R169-D192 IonicContact NH1-OD1 3.79Å; R169-D192 PolarHBondContact NH1-OD1 3.33Å; R169-D192 IonicContact NH1-OD2 3.94Å
170V81.6Confident66Low6 Ų688.3 Ų88.34%0.03651%0.505CS..EExtended strand (participates in β ladder)trans-117.3151.3177143.50000111.7S168 I172 I187 L188 L189 T246S168-V170 PolarHBondContact O-N 3.15Å; V170-I172 HydrophobicContact CG1-CD1 4.33Å; V170-I172 HydrophobicContact CG1-CG1 3.7Å; V170-I187 HydrophobicContact CB-CG2 4.47Å; V170-I187 HydrophobicContact CG1-CG2 3.66Å; V170-I187 HydrophobicContact CG2-CG2 3.87Å; V170-L188 WeakPolarHBondContact CA-O 3.36Å; V170-L189 HydrophobicContact CG2-CD2 3.48Å; V170-L189 VanDerWaalsContact CG2-CD2 3.48Å; V170-T246 HydrophobicContact CB-CG2 4.09Å; V170-T246 HydrophobicContact CG2-CG2 3.37Å
171V87.4Confident68.7Low60 Ų6085 Ų8536%0.36448%0.482SS..EExtended strand (participates in β ladder)trans-121.1140.9161.9-1780000107.7V173 L188V171-V173 HydrophobicContact CG1-CG2 3.95Å; V171-L188 HydrophobicContact CB-CD1 4.45Å; V171-L188 PolarHBondContact N-O 3.06Å; V171-L188 VanDerWaalsContact N-O 3.11Å; V171-L188 PolarHBondContact O-N 2.9Å
172I91.1Very high71.5Confident10 Ų1083.5 Ų83.55%0.05147%0.471CS..EExtended strand (participates in β ladder)trans-116.2128.6178-60.3-171.4000107.8V170 V185 F186 I187 V236 L250V170-I172 HydrophobicContact CG1-CD1 4.33Å; V170-I172 HydrophobicContact CG1-CG1 3.7Å; I172-V185 HydrophobicContact CG2-CG1 3.26Å; I172-F186 WeakPolarHBondContact CA-O 3.18Å; I172-I187 HydrophobicContact CG1-CG1 4.39Å; I172-I187 HydrophobicContact CG1-CG2 4.44Å; I172-V236 HydrophobicContact CD1-CB 3.65Å; I172-V236 HydrophobicContact CD1-CG1 3.86Å; I172-V236 HydrophobicContact CD1-CG2 4.12Å; I172-L250 HydrophobicContact CG2-CD1 4.17Å
173V88.5Confident74.4Confident71 Ų7173.3 Ų73.343%0.4344%0.436SS..EExtended strand (participates in β ladder)trans-133.5123.3-175.2-175.40000109.9V171 F186 L188V171-V173 HydrophobicContact CG1-CG2 3.95Å; V173-F186 PolarHBondContact N-O 3.05Å; V173-F186 PolarHBondContact O-N 3.27Å; V173-L188 HydrophobicContact CB-CD1 4.37Å; V173-L188 HydrophobicContact CG2-CD1 3.7Å
174P90.6Very high77.1Confident57 Ų5775.2 Ų75.237%0.3743%0.43SS..SBendcis-63.2155.4-1029.7-37.5000112.4R176 V177 V185 L250P174-R176 VanDerWaalsContact C-N 3.28Å; P174-V177 HydrophobicContact CG-CG1 4Å; P174-V185 HydrophobicContact CG-CG2 4.3Å; P174-L250 WeakPolarHBondContact O-CD1 3.49Å
175S90.8Very high80.1Confident78 Ų7864.7 Ų64.755%0.54539%0.389SS..SBendtrans-81-8.217753.70000113.8Q251S175-Q251 PolarHBondContact O-N 2.81Å; S175-Q251 VanDerWaalsContact O-N 3.14Å
176R92.4Very high82.7Confident54 Ų5463.9 Ų63.920%0.20437%0.365CS..EExtended strand (participates in β ladder)trans-137.6138.3-177.9-53.5-179.465.2-121.4-12.8108.8P174 Q251 Y253 E258 H261P174-R176 VanDerWaalsContact C-N 3.28Å; R176-Q251 CarbonylContact C-O 3.59Å; R176-Q251 VanDerWaalsContact CA-O 3.23Å; R176-Q251 WeakPolarHBondContact CA-O 3.27Å; R176-Q251 HydrophobicContact CG-CB 4.21Å; R176-Y253 HydrophobicContact CB-CD1 3.9Å; R176-Y253 HydrophobicContact CB-CE1 3.83Å; R176-E258 IonicContact CZ-OE2 3Å; R176-E258 VanDerWaalsContact NH1-CD 3.35Å; R176-E258 IonicContact NH1-OE1 2.76Å; R176-E258 PolarHBondContact NH1-OE1 3.37Å; R176-E258 IonicContact NH1-OE2 2.61Å; R176-E258 PolarHBondContact NH1-OE2 3.47Å; R176-E258 IonicContact NH2-OE2 3.72Å; R176-E258 PolarHBondContact NH2-OE2 3.41Å; R176-H261 PolarHBondContact NH1-ND1 3.45Å
177V94.3Very high85.2Confident1 Ų157.4 Ų57.41%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-137.8147.1178.3-71.80000113.1P174 V185 T225 L250 Q251 Y252 Y253P174-V177 HydrophobicContact CG-CG1 4Å; V177-V185 HydrophobicContact CG1-CG2 3.7Å; V177-T225 HydrophobicContact CG1-CG2 4.28Å; V177-T225 HydrophobicContact CG2-CG2 4.34Å; V177-L250 HydrophobicContact CG1-CD1 4.22Å; V177-L250 HydrophobicContact CG2-CD1 4.07Å; V177-L250 HydrophobicContact CG2-CD2 3.95Å; V177-L250 HydrophobicContact CG2-CG 3.97Å; V177-Q251 PolarHBondContact N-O 3.22Å; V177-Y252 HydrophobicContact CG2-CD1 3.85Å; V177-Y252 HydrophobicContact CG2-CD2 3.99Å; V177-Y252 HydrophobicContact CG2-CE1 3.87Å; V177-Y252 HydrophobicContact CG2-CE2 4.02Å; V177-Y252 HydrophobicContact CG2-CG 3.93Å; V177-Y252 CarbonylContact O-C 3.59Å; V177-Y252 VanDerWaalsContact O-CA 3.3Å; V177-Y252 WeakPolarHBondContact O-CA 3.26Å; V177-Y253 VanDerWaalsContact C-CD1 3.44Å; V177-Y253 WeakPolarHBondContact O-CD1 3.26Å; V177-Y253 WeakPolarHBondContact O-CE1 3.44Å; V177-Y253 PolarHBondContact O-N 3.34Å
178P92.3Very high87.2Confident40 Ų4050.5 Ų50.526%0.2630%0.299SS..EExtended strand (participates in β ladder)trans-72.9137.8178.328.2-34.6000113.2S181 Y253P178-S181 WeakPolarHBondContact CG-OG 3.22Å; P178-Y253 WeakPolarHBondContact CA-O 3.46Å; P178-Y253 HydrophobicContact CB-CE2 4.03Å
179C91.2Very high88.9Confident38 Ų3848.2 Ų48.226%0.25728%0.282SS..THydrogen-bonded Turntrans-66.6147.2172.7-59.90000112.2S181 Y253C179-S181 VanDerWaalsContact C-N 3.31Å; C179-S181 PolarHBondContact O-N 3.25Å; C179-Y253 PolarHBondContact N-O 3.43Å; C179-Y253 PolarHBondContact SG-O 2.81Å
180G86.4Confident89.2Confident63 Ų6347 Ų4765%0.64928%0.28SS*.THydrogen-bonded Turntrans76.912.1174.800000115A227G180-A227 WeakPolarHBondContact CA-O 3.34Å; G180-A227 PolarHBondContact N-O 3.07Å; G180-A227 VanDerWaalsContact N-O 3.09Å
181S85.4Confident88.7Confident50 Ų5052.8 Ų52.835%0.3531%0.311SS..SBendtrans-147.1131.8175.650.10000111.4P178 C179 S183P178-S181 WeakPolarHBondContact CG-OG 3.22Å; C179-S181 VanDerWaalsContact C-N 3.31Å; C179-S181 PolarHBondContact O-N 3.25Å; S181-S183 PolarHBondContact O-N 3.33Å
182S90.1Very high87.9Confident76 Ų7651.2 Ų51.253%0.53130%0.301SS..  trans-63.9127.5171.9173.60000110.6T225S182-T225 WeakPolarHBondContact CA-O 3.46Å
183S89.3Confident86.9Confident24 Ų2454.2 Ų54.217%0.16832%0.323CS..  trans-120.7141.9176.6-55.90000109.2S181 T225S181-S183 PolarHBondContact O-N 3.33Å; S183-T225 PolarHBondContact N-OG1 3.4Å; S183-T225 PolarHBondContact O-N 3.35Å; S183-T225 PolarHBondContact O-OG1 2.94Å
184E92.2Very high85.8Confident124 Ų12451.5 Ų51.558%0.57931%0.307SS*.EExtended strand (participates in β ladder)trans-76131.4170.7-66.8-169.2131.600110.1
185V93.9Very high84.7Confident1 Ų151 Ų511%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-131130.9-179.4167.20000109.9I172 P174 V177 V223 T225 L250I172-V185 HydrophobicContact CG2-CG1 3.26Å; P174-V185 HydrophobicContact CG-CG2 4.3Å; V177-V185 HydrophobicContact CG1-CG2 3.7Å; V185-V223 HydrophobicContact CB-CG1 4.33Å; V185-V223 PolarHBondContact N-O 2.85Å; V185-V223 PolarHBondContact O-N 3.22Å; V185-T225 HydrophobicContact CB-CG2 4.02Å; V185-T225 HydrophobicContact CG2-CG2 3.4Å; V185-T225 VanDerWaalsContact CG2-CG2 3.4Å; V185-L250 HydrophobicContact CG2-CD2 4.41Å
186F91.1Very high83.4Confident56 Ų5654.4 Ų54.425%0.24633%0.331CS..EExtended strand (participates in β ladder)trans-100.9124179.8-58.9-87.9000110.2I172 V173 W216 I220 L221 C222I172-F186 WeakPolarHBondContact CA-O 3.18Å; V173-F186 PolarHBondContact N-O 3.05Å; V173-F186 PolarHBondContact O-N 3.27Å; F186-W216 HydrophobicContact CE1-CD2 4.18Å; F186-W216 AromaticContact CE1-CE2 4Å; F186-W216 HydrophobicContact CE1-CE3 4.22Å; F186-W216 AromaticContact CE1-CH2 3.95Å; F186-W216 HydrophobicContact CE1-CH2 3.95Å; F186-W216 AromaticContact CE1-CZ2 3.89Å; F186-W216 HydrophobicContact CE1-CZ2 3.89Å; F186-W216 HydrophobicContact CE1-CZ3 4.12Å; F186-W216 HydrophobicContact CZ-CH2 4.26Å; F186-W216 HydrophobicContact CZ-CZ2 4.32Å; F186-I220 HydrophobicContact CD1-CG2 4.22Å; F186-L221 CarbonylContact C-O 3.54Å; F186-L221 WeakPolarHBondContact CA-O 3.33Å; F186-C222 HydrophobicContact CD1-CB 4Å; F186-C222 HydrophobicContact CE1-CB 3.88Å
187I91.2Very high82.8Confident1 Ų156 Ų561%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-105.5110.9177.4-52.5179.6000107.9V170 I172 L189 V200 L221 V223 V236 V238V170-I187 HydrophobicContact CB-CG2 4.47Å; V170-I187 HydrophobicContact CG1-CG2 3.66Å; V170-I187 HydrophobicContact CG2-CG2 3.87Å; I172-I187 HydrophobicContact CG1-CG1 4.39Å; I172-I187 HydrophobicContact CG1-CG2 4.44Å; I187-L189 HydrophobicContact CG2-CD2 4.28Å; I187-V200 HydrophobicContact CD1-CG1 3.77Å; I187-V200 HydrophobicContact CD1-CG2 3.93Å; I187-L221 HydrophobicContact CB-CB 4.34Å; I187-L221 PolarHBondContact N-O 2.96Å; I187-L221 PolarHBondContact O-N 3.08Å; I187-L221 VanDerWaalsContact O-N 3.09Å; I187-V223 HydrophobicContact CD1-CG1 3.96Å; I187-V223 HydrophobicContact CG1-CG1 4.32Å; I187-V236 HydrophobicContact CD1-CG1 3.83Å; I187-V238 HydrophobicContact CD1-CG2 4.2Å; I187-V238 HydrophobicContact CG2-CG2 3.92Å
188L88.9Confident82.4Confident64 Ų6456.5 Ų56.534%0.33535%0.346SS..EExtended strand (participates in β ladder)trans-96.7112.2-178.6-61.9108.9000110.7V170 V171 V173 R219 I220V170-L188 WeakPolarHBondContact CA-O 3.36Å; V171-L188 HydrophobicContact CB-CD1 4.45Å; V171-L188 PolarHBondContact N-O 3.06Å; V171-L188 VanDerWaalsContact N-O 3.11Å; V171-L188 PolarHBondContact O-N 2.9Å; V173-L188 HydrophobicContact CB-CD1 4.37Å; V173-L188 HydrophobicContact CG2-CD1 3.7Å; L188-R219 WeakPolarHBondContact CA-O 3.43Å; L188-I220 HydrophobicContact CD2-CD1 4.36Å; L188-I220 HydrophobicContact CD2-CG1 4.17Å; L188-I220 HydrophobicContact CG-CG1 4.46Å
189L87.2Confident82.4Confident6 Ų657.3 Ų57.33%0.03135%0.347CS..EExtended strand (participates in β ladder)trans-83.2123.6176.3-45.4-179000109.8V170 I187 D192 A194 R219 V238 L245 T246V170-L189 HydrophobicContact CG2-CD2 3.48Å; V170-L189 VanDerWaalsContact CG2-CD2 3.48Å; I187-L189 HydrophobicContact CG2-CD2 4.28Å; L189-D192 WeakPolarHBondContact CB-O 3.3Å; L189-D192 WeakPolarHBondContact CD1-O 3.32Å; L189-A194 HydrophobicContact CD1-CB 4.02Å; L189-R219 HydrophobicContact CB-CB 4.49Å; L189-R219 PolarHBondContact N-O 2.93Å; L189-V238 HydrophobicContact CD2-CG2 4.49Å; L189-L245 HydrophobicContact CD1-CD1 4.49Å; L189-T246 HydrophobicContact CD2-CG2 4.26Å
190K76.8Confident82.5Confident107 Ų10755.5 Ų55.547%0.46534%0.335SS..SBendtrans-83.3-43.6-178.4-69.1173.7-179153.40113.8S168 R169S168-K190 PolarHBondContact O-NZ 3.3Å; R169-K190 VanDerWaalsContact O-CB 3.28Å; R169-K190 WeakPolarHBondContact O-CB 3.15Å; R169-K190 WeakPolarHBondContact O-CG 3.27Å; R169-K190 PolarHBondContact O-N 2.83Å
191N70.9Confident82.9Confident128 Ų12853.4 Ų53.468%0.68431%0.308SS*.SBendtrans-123.5-10.6-168.4-72.942.1000113.5
192D70.6Confident83.3Confident26 Ų2651 Ų5114%0.13929%0.291CS..  trans-118.6148.3-170.2-41.1-79.9000107.8R169 L189R169-D192 WeakPolarHBondContact CD-OD2 3.49Å; R169-D192 IonicContact CZ-OD1 2.69Å; R169-D192 IonicContact NH1-OD1 3.79Å; R169-D192 PolarHBondContact NH1-OD1 3.33Å; R169-D192 IonicContact NH1-OD2 3.94Å; L189-D192 WeakPolarHBondContact CB-O 3.3Å; L189-D192 WeakPolarHBondContact CD1-O 3.32Å
193S70.6Confident83.4Confident74 Ų7452.2 Ų52.252%0.51729%0.287SS..  trans-108.3145178.551.20000112.3E218S193-E218 CarbonylContact C-O 3.59Å; S193-E218 VanDerWaalsContact CA-O 3.31Å; S193-E218 WeakPolarHBondContact CA-O 3.33Å
194A66.3Low83.5Confident13 Ų1351.9 Ų51.911%0.10729%0.286CS..  trans-80.4117.7173.200000110.6L189 E218 L221L189-A194 HydrophobicContact CD1-CB 4.02Å; A194-E218 PolarHBondContact N-O 3.23Å; A194-L221 HydrophobicContact CB-CD1 4.37Å; A194-L221 HydrophobicContact CB-CD2 3.71Å; A194-L221 HydrophobicContact CB-CG 4.17Å
195A67.5Low83.1Confident48 Ų4855 Ų5540%0.39730%0.3SS..  trans-82171.7167.300000111.3D197 C198 S240A195-D197 PolarHBondContact O-N 3.42Å; A195-C198 PolarHBondContact O-N 3.43Å; A195-C198 PolarHBondContact O-SG 3.34Å; A195-S240 VanDerWaalsContact CB-OG 3.27Å; A195-S240 WeakPolarHBondContact CB-OG 3.37Å
196C63.6Low82.7Confident149 Ų14966.4 Ų66.4100%1.00734%0.343SS*.THydrogen-bonded Turntrans-64.3-6.1-176.6-54.30000115.2
197D79.4Confident82.5Confident86 Ų8666.5 Ų66.546%0.4634%0.343SS..THydrogen-bonded Turntrans-114.920.6-173.674.8-15.7000114A195 S240 G241A195-D197 PolarHBondContact O-N 3.42Å; D197-S240 PolarHBondContact OD1-OG 3.46Å; D197-G241 VanDerWaalsContact CG-N 3.28Å; D197-G241 PolarHBondContact OD1-N 3.28Å; D197-G241 WeakPolarHBondContact OD2-CA 3.07Å; D197-G241 PolarHBondContact OD2-N 3.15Å
198C86.2Confident82.6Confident12 Ų1271 Ų718%0.08137%0.366CS..  trans-62.3145.1-176.8-70.50000113.6A195 P213 L221 Y239A195-C198 PolarHBondContact O-N 3.43Å; A195-C198 PolarHBondContact O-SG 3.34Å; C198-P213 HydrophobicContact CB-CG 3.91Å; C198-P213 VanDerWaalsContact O-CD 3.26Å; C198-P213 WeakPolarHBondContact O-CD 3.49Å; C198-L221 HydrophobicContact CB-CD1 4.36Å; C198-Y239 CarbonylContact C-O 3.58Å; C198-Y239 WeakPolarHBondContact CA-O 3.28Å
199E91.8Very high82.7Confident58 Ų5871 Ų7127%0.27137%0.365SS..EExtended strand (participates in β ladder)trans-130147167.2-62.2-166.4148.400110.1R210 Y239E199-R210 WeakPolarHBondContact OE2-CD 3.41Å; E199-R210 IonicContact OE2-CZ 3.93Å; E199-R210 IonicContact OE2-NH1 2.76Å; E199-R210 PolarHBondContact OE2-NH1 3.03Å; E199-Y239 PolarHBondContact N-O 3.19Å; E199-Y239 PolarHBondContact O-N 2.89Å
200V92.8Very high83Confident0 Ų076.5 Ų76.50%039%0.385CS..EExtended strand (participates in β ladder)trans-113.3118.5173.9-178.60000109I187 F202 R210 V211 P213 V223 V236I187-V200 HydrophobicContact CD1-CG1 3.77Å; I187-V200 HydrophobicContact CD1-CG2 3.93Å; V200-F202 HydrophobicContact CB-CE2 4.45Å; V200-F202 HydrophobicContact CG1-CD2 4.32Å; V200-F202 HydrophobicContact CG1-CE2 3.82Å; V200-F202 HydrophobicContact CG1-CZ 4.09Å; V200-R210 WeakPolarHBondContact O-CA 3.4Å; V200-V211 PolarHBondContact N-O 3.48Å; V200-V211 PolarHBondContact O-N 3.41Å; V200-P213 HydrophobicContact CG2-CB 3.96Å; V200-P213 HydrophobicContact CG2-CG 3.96Å; V200-V223 HydrophobicContact CB-CG2 4.31Å; V200-V223 HydrophobicContact CG1-CG1 4.44Å; V200-V236 HydrophobicContact CG1-CG1 3.55Å
201E94.4Very high83.7Confident18 Ų1873 Ų738%0.08437%0.372CS..EExtended strand (participates in β ladder)trans-97.7120.7176.5-172.4177.9100.900110.5I208 E209 R210 V236 T237 Y239E201-I208 HydrophobicContact CG-CG2 3.58Å; E201-E209 CarbonylContact C-O 3.57Å; E201-E209 WeakPolarHBondContact CA-O 3.42Å; E201-R210 HydrophobicContact CB-CG 4.01Å; E201-R210 HydrophobicContact CG-CG 3.99Å; E201-R210 IonicContact OE2-CZ 2.78Å; E201-R210 VanDerWaalsContact OE2-CZ 3.24Å; E201-R210 IonicContact OE2-NE 3.93Å; E201-R210 PolarHBondContact OE2-NE 3.13Å; E201-R210 IonicContact OE2-NH2 3.24Å; E201-R210 PolarHBondContact OE2-NH2 3.03Å; E201-V236 WeakPolarHBondContact O-CA 3.26Å; E201-T237 PolarHBondContact N-O 2.89Å; E201-T237 PolarHBondContact O-N 3.24Å; E201-Y239 HydrophobicContact CB-CD2 4.2Å; E201-Y239 HydrophobicContact CB-CE2 3.68Å; E201-Y239 HydrophobicContact CG-CE2 4.47Å
202F94.1Very high84.6Confident0 Ų074.7 Ų74.70%037%0.374CS..EExtended strand (participates in β ladder)trans-95.7125169.1-64.5-93.1000108.9V200 I208 E209 V211 V223 T225 P226 F229 V234 S235 V236 L250V200-F202 HydrophobicContact CB-CE2 4.45Å; V200-F202 HydrophobicContact CG1-CD2 4.32Å; V200-F202 HydrophobicContact CG1-CE2 3.82Å; V200-F202 HydrophobicContact CG1-CZ 4.09Å; F202-I208 CarbonylContact O-C 3.6Å; F202-I208 WeakPolarHBondContact O-CA 3.37Å; F202-E209 PolarHBondContact N-O 3.18Å; F202-E209 PolarHBondContact O-N 3.37Å; F202-V211 HydrophobicContact CD2-CG2 4.02Å; F202-V211 HydrophobicContact CE2-CB 4.22Å; F202-V211 HydrophobicContact CE2-CG2 3.83Å; F202-V223 HydrophobicContact CE2-CG2 3.84Å; F202-V223 HydrophobicContact CZ-CG1 3.92Å; F202-V223 HydrophobicContact CZ-CG2 3.97Å; F202-T225 HydrophobicContact CE1-CG2 4.18Å; F202-T225 HydrophobicContact CZ-CG2 4.37Å; F202-P226 HydrophobicContact CD2-CG 4.09Å; F202-P226 HydrophobicContact CE2-CG 4.41Å; F202-P226 HydrophobicContact CG-CG 4.48Å; F202-F229 HydrophobicContact CB-CE1 4.11Å; F202-F229 HydrophobicContact CB-CE2 4.06Å; F202-F229 HydrophobicContact CB-CZ 3.61Å; F202-V234 HydrophobicContact CB-CG1 4Å; F202-V234 HydrophobicContact CD1-CG1 4.25Å; F202-S235 CarbonylContact C-O 3.56Å; F202-S235 WeakPolarHBondContact CA-O 3.47Å; F202-V236 HydrophobicContact CD1-CG2 3.75Å; F202-V236 HydrophobicContact CE1-CG1 4.31Å; F202-V236 HydrophobicContact CE1-CG2 3.9Å; F202-L250 HydrophobicContact CE1-CD2 3.93Å
203K93.1Very high85.6Confident101 Ų10174.5 Ų74.544%0.43937%0.374SS..EExtended strand (participates in β ladder)trans-133118-175.9174.1164.8-176.5174.60112.5I208 S235K203-I208 HydrophobicContact CB-CG1 4.31Å; K203-I208 HydrophobicContact CD-CD1 3.95Å; K203-I208 HydrophobicContact CD-CG1 4.11Å; K203-I208 HydrophobicContact CG-CD1 4.36Å; K203-I208 HydrophobicContact CG-CG1 3.96Å; K203-S235 PolarHBondContact N-O 2.95Å; K203-S235 PolarHBondContact O-N 3.36Å
204A89.9Confident86.4Confident17 Ų1775.4 Ų75.414%0.1438%0.376CS..  trans-107.4179.9165.900000109.9R206 K207 F229 P230 V234A204-R206 VanDerWaalsContact C-N 3.26Å; A204-R206 PolarHBondContact O-N 3.19Å; A204-K207 PolarHBondContact N-O 3.3Å; A204-F229 HydrophobicContact CB-CD1 3.9Å; A204-F229 HydrophobicContact CB-CE1 3.95Å; A204-P230 HydrophobicContact CB-CG 4.47Å; A204-V234 HydrophobicContact CB-CG2 4.36Å
205E85Confident87.2Confident189 Ų18978.2 Ų78.288%0.88339%0.394SS*.SBendtrans-56.4-36.2-178.8-62.4-174.2168.100114.1
206R85.3Confident87.9Confident241 Ų24183.8 Ų83.891%0.90941%0.405SS*.SBendtrans-124.54.5-172.4-56.7-175.3-171.1-176.61.5114.3A204A204-R206 VanDerWaalsContact C-N 3.26Å; A204-R206 PolarHBondContact O-N 3.19Å
207K87.8Confident88.7Confident58 Ų5879 Ų7925%0.25237%0.374SS..  trans-142.9134.7-178.4-172.2177.3175.9-172.40110.9A204 E209 D228 F229A204-K207 PolarHBondContact N-O 3.3Å; K207-E209 WeakPolarHBondContact CE-OE2 3.41Å; K207-E209 IonicContact NZ-OE2 2.83Å; K207-E209 PolarHBondContact NZ-OE2 2.97Å; K207-D228 VanDerWaalsContact CD-O 3.27Å; K207-D228 WeakPolarHBondContact CD-O 3.46Å; K207-D228 PolarHBondContact NZ-O 2.97Å; K207-F229 HydrophobicContact CB-CE1 4.23Å; K207-F229 HydrophobicContact CB-CZ 4.41Å; K207-F229 HydrophobicContact CD-CD2 4.12Å; K207-F229 HydrophobicContact CD-CE1 4.28Å; K207-F229 HydrophobicContact CD-CE2 3.8Å; K207-F229 HydrophobicContact CD-CZ 3.89Å; K207-F229 HydrophobicContact CG-CE1 4.22Å; K207-F229 HydrophobicContact CG-CE2 4.31Å; K207-F229 HydrophobicContact CG-CZ 3.91Å
208I92Very high88.7Confident95 Ų9581.4 Ų81.449%0.48738%0.382SS..EExtended strand (participates in β ladder)trans-126.4134.8169.1-56.2179000106.9E201 F202 K203E201-I208 HydrophobicContact CG-CG2 3.58Å; F202-I208 CarbonylContact O-C 3.6Å; F202-I208 WeakPolarHBondContact O-CA 3.37Å; K203-I208 HydrophobicContact CB-CG1 4.31Å; K203-I208 HydrophobicContact CD-CD1 3.95Å; K203-I208 HydrophobicContact CD-CG1 4.11Å; K203-I208 HydrophobicContact CG-CD1 4.36Å; K203-I208 HydrophobicContact CG-CG1 3.96Å
209E92.2Very high88.6Confident65 Ų6587.8 Ų87.830%0.30440%0.404SS..EExtended strand (participates in β ladder)trans-142.6141.3178.2-165.3173.6152.600109.9E201 F202 K207 P226 F229E201-E209 CarbonylContact C-O 3.57Å; E201-E209 WeakPolarHBondContact CA-O 3.42Å; F202-E209 PolarHBondContact N-O 3.18Å; F202-E209 PolarHBondContact O-N 3.37Å; K207-E209 WeakPolarHBondContact CE-OE2 3.41Å; K207-E209 IonicContact NZ-OE2 2.83Å; K207-E209 PolarHBondContact NZ-OE2 2.97Å; E209-P226 HydrophobicContact CB-CG 4.44Å; E209-P226 VanDerWaalsContact CD-CB 3.44Å; E209-P226 VanDerWaalsContact CD-CG 3.46Å; E209-P226 HydrophobicContact CG-CG 4.15Å; E209-P226 VanDerWaalsContact OE1-CB 3.3Å; E209-P226 WeakPolarHBondContact OE1-CB 3.34Å; E209-P226 WeakPolarHBondContact OE1-CG 3.41Å; E209-P226 VanDerWaalsContact OE2-CB 3.27Å; E209-P226 WeakPolarHBondContact OE2-CB 3.33Å; E209-F229 HydrophobicContact CB-CE2 3.83Å; E209-F229 HydrophobicContact CB-CZ 3.9Å
210R92.8Very high88.4Confident121 Ų12187.6 Ų87.646%0.45741%0.405SS..EExtended strand (participates in β ladder)trans-117.7130.4179.7-71.4-172.2175.5-160.81.2111E199 V200 E201E199-R210 WeakPolarHBondContact OE2-CD 3.41Å; E199-R210 IonicContact OE2-CZ 3.93Å; E199-R210 IonicContact OE2-NH1 2.76Å; E199-R210 PolarHBondContact OE2-NH1 3.03Å; V200-R210 WeakPolarHBondContact O-CA 3.4Å; E201-R210 HydrophobicContact CB-CG 4.01Å; E201-R210 HydrophobicContact CG-CG 3.99Å; E201-R210 IonicContact OE2-CZ 2.78Å; E201-R210 VanDerWaalsContact OE2-CZ 3.24Å; E201-R210 IonicContact OE2-NE 3.93Å; E201-R210 PolarHBondContact OE2-NE 3.13Å; E201-R210 IonicContact OE2-NH2 3.24Å; E201-R210 PolarHBondContact OE2-NH2 3.03Å
211V92Very high88.3Confident33 Ų3387.6 Ų87.620%0.241%0.405CS..EExtended strand (participates in β ladder)trans-122.9137.6-179.3-170.90000108.5V200 F202 V223 P226V200-V211 PolarHBondContact N-O 3.48Å; V200-V211 PolarHBondContact O-N 3.41Å; F202-V211 HydrophobicContact CD2-CG2 4.02Å; F202-V211 HydrophobicContact CE2-CB 4.22Å; F202-V211 HydrophobicContact CE2-CG2 3.83Å; V211-V223 HydrophobicContact CB-CG2 3.78Å; V211-V223 HydrophobicContact CG1-CG2 3.66Å; V211-P226 HydrophobicContact CG2-CG 3.8Å
212K90.1Very high88Confident164 Ų16487 Ų8771%0.71340%0.402SS*.PPolyproline II helixtrans-80.5120.8171.7-68.2-167.8174.8-170.70109.1
213P90.2Very high88Confident22 Ų2287.1 Ų87.114%0.14340%0.403CS..PPolyproline II helixtrans-75.7152.3179.232.7-34.3000111.2C198 V200 L221 C222 V223C198-P213 HydrophobicContact CB-CG 3.91Å; C198-P213 VanDerWaalsContact O-CD 3.26Å; C198-P213 WeakPolarHBondContact O-CD 3.49Å; V200-P213 HydrophobicContact CG2-CB 3.96Å; V200-P213 HydrophobicContact CG2-CG 3.96Å; P213-L221 HydrophobicContact CB-CB 3.91Å; P213-L221 HydrophobicContact CB-CD1 4.45Å; P213-L221 HydrophobicContact CB-CD2 4.07Å; P213-L221 HydrophobicContact CB-CG 4.37Å; P213-L221 HydrophobicContact CG-CB 4.44Å; P213-L221 HydrophobicContact CG-CD1 4.12Å; P213-L221 HydrophobicContact CG-CD2 3.88Å; P213-L221 HydrophobicContact CG-CG 4.38Å; P213-C222 CarbonylContact C-O 3.49Å; P213-C222 VanDerWaalsContact CA-O 3.26Å; P213-C222 WeakPolarHBondContact CA-O 3.37Å; P213-C222 WeakPolarHBondContact CB-O 3.36Å; P213-V223 HydrophobicContact CB-CB 4.46Å
214V87.3Confident87.9Confident94 Ų9485.1 Ų85.157%0.5740%0.402SS*.EExtended strand (participates in β ladder)trans-81.8116.1163.2-175.90000107.6W216 C222V214-W216 PolarHBondContact O-N 3.25Å; V214-C222 HydrophobicContact CB-CB 4.49Å; V214-C222 PolarHBondContact N-O 3.31Å; V214-C222 PolarHBondContact O-N 3Å
215C84.6Confident88Confident72 Ų7284.4 Ų84.449%0.48640%0.396SS..EExtended strand (participates in β ladder)trans-74.7110.3176.2-167.80000109.7S217 L221C215-S217 PolarHBondContact SG-O 3.41Å; C215-L221 HydrophobicContact CB-CD2 4.15Å
216W81.6Confident88.3Confident165 Ų16576 Ų7663%0.62536%0.358SS*.EExtended strand (participates in β ladder)trans-88.1-29176.3-81.743.6000111.7F186 V214 I220 C222F186-W216 HydrophobicContact CE1-CD2 4.18Å; F186-W216 AromaticContact CE1-CE2 4Å; F186-W216 HydrophobicContact CE1-CE3 4.22Å; F186-W216 AromaticContact CE1-CH2 3.95Å; F186-W216 HydrophobicContact CE1-CH2 3.95Å; F186-W216 AromaticContact CE1-CZ2 3.89Å; F186-W216 HydrophobicContact CE1-CZ2 3.89Å; F186-W216 HydrophobicContact CE1-CZ3 4.12Å; F186-W216 HydrophobicContact CZ-CH2 4.26Å; F186-W216 HydrophobicContact CZ-CZ2 4.32Å; V214-W216 PolarHBondContact O-N 3.25Å; W216-I220 HydrophobicContact CB-CB 4.36Å; W216-I220 HydrophobicContact CB-CG2 4.15Å; W216-I220 PolarHBondContact N-O 2.88Å; W216-C222 HydrophobicContact CG-CB 4.34Å
217S79.7Confident88.4Confident49 Ų4966 Ų6634%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-162.6170168.763.90000109.1C215 R219 I220C215-S217 PolarHBondContact SG-O 3.41Å; S217-R219 PolarHBondContact O-N 2.95Å; S217-I220 PolarHBondContact N-O 3.26Å; S217-I220 PolarHBondContact O-N 3.43Å; S217-I220 WeakPolarHBondContact OG-CB 3.47Å; S217-I220 PolarHBondContact OG-N 3.36Å
218E80.3Confident88.2Confident136 Ų13669.3 Ų69.364%0.63635%0.347SS*.THydrogen-bonded Turntrans-48.9-19.7174.8-59.9-177.4170.200114.9S193 A194S193-E218 CarbonylContact C-O 3.59Å; S193-E218 VanDerWaalsContact CA-O 3.31Å; S193-E218 WeakPolarHBondContact CA-O 3.33Å; A194-E218 PolarHBondContact N-O 3.23Å
219R84.1Confident88.1Confident145 Ų14565.1 Ų65.155%0.54733%0.325SS..THydrogen-bonded Turntrans-1231.4-177.9-61.4-173.8-165.51775.2114.5L188 L189 S217L188-R219 WeakPolarHBondContact CA-O 3.43Å; L189-R219 HydrophobicContact CB-CB 4.49Å; L189-R219 PolarHBondContact N-O 2.93Å; S217-R219 PolarHBondContact O-N 2.95Å
220I87.4Confident88Confident54 Ų5466 Ų6628%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-132.2114-178.6-57.7170.8000109.3F186 L188 W216 S217F186-I220 HydrophobicContact CD1-CG2 4.22Å; L188-I220 HydrophobicContact CD2-CD1 4.36Å; L188-I220 HydrophobicContact CD2-CG1 4.17Å; L188-I220 HydrophobicContact CG-CG1 4.46Å; W216-I220 HydrophobicContact CB-CB 4.36Å; W216-I220 HydrophobicContact CB-CG2 4.15Å; W216-I220 PolarHBondContact N-O 2.88Å; S217-I220 PolarHBondContact N-O 3.26Å; S217-I220 PolarHBondContact O-N 3.43Å; S217-I220 WeakPolarHBondContact OG-CB 3.47Å; S217-I220 PolarHBondContact OG-N 3.36Å
221L90Very high87.9Confident1 Ų162 Ų621%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-104.6126.3172.1-64.7176.4000108.7F186 I187 A194 C198 P213 C215 V238F186-L221 CarbonylContact C-O 3.54Å; F186-L221 WeakPolarHBondContact CA-O 3.33Å; I187-L221 HydrophobicContact CB-CB 4.34Å; I187-L221 PolarHBondContact N-O 2.96Å; I187-L221 PolarHBondContact O-N 3.08Å; I187-L221 VanDerWaalsContact O-N 3.09Å; A194-L221 HydrophobicContact CB-CD1 4.37Å; A194-L221 HydrophobicContact CB-CD2 3.71Å; A194-L221 HydrophobicContact CB-CG 4.17Å; C198-L221 HydrophobicContact CB-CD1 4.36Å; P213-L221 HydrophobicContact CB-CB 3.91Å; P213-L221 HydrophobicContact CB-CD1 4.45Å; P213-L221 HydrophobicContact CB-CD2 4.07Å; P213-L221 HydrophobicContact CB-CG 4.37Å; P213-L221 HydrophobicContact CG-CB 4.44Å; P213-L221 HydrophobicContact CG-CD1 4.12Å; P213-L221 HydrophobicContact CG-CD2 3.88Å; P213-L221 HydrophobicContact CG-CG 4.38Å; C215-L221 HydrophobicContact CB-CD2 4.15Å; L221-V238 HydrophobicContact CD1-CG1 3.61Å
222C89.1Confident87.8Confident5 Ų561.7 Ų61.73%0.03433%0.333CS..EExtended strand (participates in β ladder)trans-94.6137.1166.6-175.20000109.3F186 P213 V214 W216F186-C222 HydrophobicContact CD1-CB 4Å; F186-C222 HydrophobicContact CE1-CB 3.88Å; P213-C222 CarbonylContact C-O 3.49Å; P213-C222 VanDerWaalsContact CA-O 3.26Å; P213-C222 WeakPolarHBondContact CA-O 3.37Å; P213-C222 WeakPolarHBondContact CB-O 3.36Å; V214-C222 HydrophobicContact CB-CB 4.49Å; V214-C222 PolarHBondContact N-O 3.31Å; V214-C222 PolarHBondContact O-N 3Å; W216-C222 HydrophobicContact CG-CB 4.34Å
223V93.6Very high88Confident3 Ų359.3 Ų59.32%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-141.7134.7177.963.50000110.8V185 I187 V200 F202 V211 P213V185-V223 HydrophobicContact CB-CG1 4.33Å; V185-V223 PolarHBondContact N-O 2.85Å; V185-V223 PolarHBondContact O-N 3.22Å; I187-V223 HydrophobicContact CD1-CG1 3.96Å; I187-V223 HydrophobicContact CG1-CG1 4.32Å; V200-V223 HydrophobicContact CB-CG2 4.31Å; V200-V223 HydrophobicContact CG1-CG1 4.44Å; F202-V223 HydrophobicContact CE2-CG2 3.84Å; F202-V223 HydrophobicContact CZ-CG1 3.92Å; F202-V223 HydrophobicContact CZ-CG2 3.97Å; V211-V223 HydrophobicContact CB-CG2 3.78Å; V211-V223 HydrophobicContact CG1-CG2 3.66Å; P213-V223 HydrophobicContact CB-CB 4.46Å
224S91.7Very high88.1Confident59 Ų5958.3 Ų58.341%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-76.6122.2169.6-56.40000109.5
225T92.1Very high88.4Confident1 Ų155.7 Ų55.71%0.00631%0.307CS..PPolyproline II helixtrans-70.8130.8178.859.10000111.1V177 S182 S183 V185 F202 A227 L250 Y252V177-T225 HydrophobicContact CG1-CG2 4.28Å; V177-T225 HydrophobicContact CG2-CG2 4.34Å; S182-T225 WeakPolarHBondContact CA-O 3.46Å; S183-T225 PolarHBondContact N-OG1 3.4Å; S183-T225 PolarHBondContact O-N 3.35Å; S183-T225 PolarHBondContact O-OG1 2.94Å; V185-T225 HydrophobicContact CB-CG2 4.02Å; V185-T225 HydrophobicContact CG2-CG2 3.4Å; V185-T225 VanDerWaalsContact CG2-CG2 3.4Å; F202-T225 HydrophobicContact CE1-CG2 4.18Å; F202-T225 HydrophobicContact CZ-CG2 4.37Å; T225-A227 PolarHBondContact O-N 2.66Å; T225-L250 HydrophobicContact CG2-CD2 3.85Å; T225-Y252 WeakPolarHBondContact CB-OH 3.28Å
226P91.3Very high88.8Confident13 Ų1352.4 Ų52.48%0.08429%0.285CS..PPolyproline II helixtrans-61.1129.7174.5-22.933.6000111.8F202 E209 V211 D228 F229F202-P226 HydrophobicContact CD2-CG 4.09Å; F202-P226 HydrophobicContact CE2-CG 4.41Å; F202-P226 HydrophobicContact CG-CG 4.48Å; E209-P226 HydrophobicContact CB-CG 4.44Å; E209-P226 VanDerWaalsContact CD-CB 3.44Å; E209-P226 VanDerWaalsContact CD-CG 3.46Å; E209-P226 HydrophobicContact CG-CG 4.15Å; E209-P226 VanDerWaalsContact OE1-CB 3.3Å; E209-P226 WeakPolarHBondContact OE1-CB 3.34Å; E209-P226 WeakPolarHBondContact OE1-CG 3.41Å; E209-P226 VanDerWaalsContact OE2-CB 3.27Å; E209-P226 WeakPolarHBondContact OE2-CB 3.33Å; V211-P226 HydrophobicContact CG2-CG 3.8Å; P226-D228 VanDerWaalsContact C-N 3.27Å; P226-D228 PolarHBondContact O-N 3.38Å; P226-F229 HydrophobicContact CB-CD2 3.87Å; P226-F229 HydrophobicContact CB-CE2 3.84Å; P226-F229 HydrophobicContact CG-CD2 4.43Å; P226-F229 HydrophobicContact CG-CE2 4.05Å
227A85.8Confident89.3Confident31 Ų3145.3 Ų45.326%0.25626%0.26SS..SBendtrans-65.1-31.3-175.700000113G180 T225 F229G180-A227 WeakPolarHBondContact CA-O 3.34Å; G180-A227 PolarHBondContact N-O 3.07Å; G180-A227 VanDerWaalsContact N-O 3.09Å; T225-A227 PolarHBondContact O-N 2.66Å; A227-F229 VanDerWaalsContact C-N 3.28Å; A227-F229 PolarHBondContact O-N 2.9Å; A227-F229 VanDerWaalsContact O-N 3.1Å
228D85.1Confident89.8Confident128 Ų12843 Ų4368%0.68424%0.244SC*.  trans-88.250.8-172.2-56.9-29.9000112.4K207 P226K207-D228 VanDerWaalsContact CD-O 3.27Å; K207-D228 WeakPolarHBondContact CD-O 3.46Å; K207-D228 PolarHBondContact NZ-O 2.97Å; P226-D228 VanDerWaalsContact C-N 3.27Å; P226-D228 PolarHBondContact O-N 3.38Å
229F90.1Very high90.3Very high7 Ų738.5 Ų38.53%0.03122%0.221CC..  trans-115.4140.5169.2-88.9-101.3000110.7F202 A204 K207 E209 P226 A227 V234 Y252F202-F229 HydrophobicContact CB-CE1 4.11Å; F202-F229 HydrophobicContact CB-CE2 4.06Å; F202-F229 HydrophobicContact CB-CZ 3.61Å; A204-F229 HydrophobicContact CB-CD1 3.9Å; A204-F229 HydrophobicContact CB-CE1 3.95Å; K207-F229 HydrophobicContact CB-CE1 4.23Å; K207-F229 HydrophobicContact CB-CZ 4.41Å; K207-F229 HydrophobicContact CD-CD2 4.12Å; K207-F229 HydrophobicContact CD-CE1 4.28Å; K207-F229 HydrophobicContact CD-CE2 3.8Å; K207-F229 HydrophobicContact CD-CZ 3.89Å; K207-F229 HydrophobicContact CG-CE1 4.22Å; K207-F229 HydrophobicContact CG-CE2 4.31Å; K207-F229 HydrophobicContact CG-CZ 3.91Å; E209-F229 HydrophobicContact CB-CE2 3.83Å; E209-F229 HydrophobicContact CB-CZ 3.9Å; P226-F229 HydrophobicContact CB-CD2 3.87Å; P226-F229 HydrophobicContact CB-CE2 3.84Å; P226-F229 HydrophobicContact CG-CD2 4.43Å; P226-F229 HydrophobicContact CG-CE2 4.05Å; A227-F229 VanDerWaalsContact C-N 3.28Å; A227-F229 PolarHBondContact O-N 2.9Å; A227-F229 VanDerWaalsContact O-N 3.1Å; F229-V234 HydrophobicContact CB-CG2 4.44Å; F229-V234 HydrophobicContact CD1-CG1 3.97Å; F229-V234 HydrophobicContact CD1-CG2 3.67Å; F229-V234 HydrophobicContact CE1-CG1 3.93Å; F229-V234 HydrophobicContact CE1-CG2 4.4Å; F229-V234 HydrophobicContact CG-CG2 4.39Å; F229-Y252 HydrophobicContact CB-CD1 3.82Å; F229-Y252 HydrophobicContact CB-CD2 4.47Å; F229-Y252 HydrophobicContact CB-CE1 3.66Å; F229-Y252 HydrophobicContact CB-CE2 4.32Å; F229-Y252 HydrophobicContact CB-CG 4.21Å; F229-Y252 HydrophobicContact CG-CE1 4.45Å
230P88.6Confident90.3Very high82 Ų8232.4 Ų32.453%0.53220%0.201SC..  trans-69.9158.1175.631.8-35.8000110.9A204 Y252A204-P230 HydrophobicContact CB-CG 4.47Å; P230-Y252 WeakPolarHBondContact O-CB 3.03Å
231A90.9Very high89.8Confident39 Ų3932.1 Ų32.132%0.32221%0.212SC..SBendtrans-60.9150.117100000111.8Y252 T254 E257A231-Y252 WeakPolarHBondContact CA-O 3.44Å; A231-T254 HydrophobicContact CB-CG2 3.94Å; A231-E257 VanDerWaalsContact CB-OE2 3.27Å; A231-E257 WeakPolarHBondContact CB-OE2 3.48Å
232G90.9Very high89.2Confident26 Ų2635.4 Ų35.427%0.26825%0.245SC..EExtended strand (participates in β ladder)trans121.5-166.1-174.300000113.1Q251 Y252G232-Q251 CarbonylContact O-C 3.59Å; G232-Q251 WeakPolarHBondContact O-CA 3.39Å; G232-Y252 PolarHBondContact N-O 2.81Å; G232-Y252 PolarHBondContact O-N 3.5Å
233N92.9Very high88.8Confident113 Ų11342.8 Ų42.860%0.60428%0.277SS*.EExtended strand (participates in β ladder)trans-91.4111.2-175.7-71.6-66.8000111.4K249N233-K249 HydrophobicContact CB-CD 4.46Å
234V93.9Very high88.3Confident2 Ų246.9 Ų46.91%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-93.6129.7173177.80000109F202 A204 F229 K249 L250 Y252F202-V234 HydrophobicContact CB-CG1 4Å; F202-V234 HydrophobicContact CD1-CG1 4.25Å; A204-V234 HydrophobicContact CB-CG2 4.36Å; F229-V234 HydrophobicContact CB-CG2 4.44Å; F229-V234 HydrophobicContact CD1-CG1 3.97Å; F229-V234 HydrophobicContact CD1-CG2 3.67Å; F229-V234 HydrophobicContact CE1-CG1 3.93Å; F229-V234 HydrophobicContact CE1-CG2 4.4Å; F229-V234 HydrophobicContact CG-CG2 4.39Å; V234-K249 WeakPolarHBondContact O-CA 3.31Å; V234-L250 PolarHBondContact N-O 3.08Å; V234-L250 PolarHBondContact O-N 2.89Å; V234-Y252 HydrophobicContact CB-CD2 3.79Å; V234-Y252 HydrophobicContact CB-CE2 3.72Å; V234-Y252 HydrophobicContact CG1-CE2 4.08Å; V234-Y252 HydrophobicContact CG2-CD2 3.31Å; V234-Y252 HydrophobicContact CG2-CE2 3.56Å; V234-Y252 HydrophobicContact CG2-CG 4.19Å
235S92.8Very high87.8Confident39 Ų3946.3 Ų46.327%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-75.3131.6171.8-1500000108.8F202 K203 S247 S248F202-S235 CarbonylContact C-O 3.56Å; F202-S235 WeakPolarHBondContact CA-O 3.47Å; K203-S235 PolarHBondContact N-O 2.95Å; K203-S235 PolarHBondContact O-N 3.36Å; S235-S247 PolarHBondContact OG-OG 3.42Å; S235-S248 WeakPolarHBondContact CA-O 3.46Å
236V93.4Very high87.4Confident3 Ų347.2 Ų47.22%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-119112.7178.3-177.10000108.2I172 I187 V200 E201 F202 S247 S248 L250I172-V236 HydrophobicContact CD1-CB 3.65Å; I172-V236 HydrophobicContact CD1-CG1 3.86Å; I172-V236 HydrophobicContact CD1-CG2 4.12Å; I187-V236 HydrophobicContact CD1-CG1 3.83Å; V200-V236 HydrophobicContact CG1-CG1 3.55Å; E201-V236 WeakPolarHBondContact O-CA 3.26Å; F202-V236 HydrophobicContact CD1-CG2 3.75Å; F202-V236 HydrophobicContact CE1-CG1 4.31Å; F202-V236 HydrophobicContact CE1-CG2 3.9Å; V236-S247 CarbonylContact O-C 3.59Å; V236-S247 WeakPolarHBondContact O-CA 3.5Å; V236-S247 PolarHBondContact O-OG 3.01Å; V236-S248 PolarHBondContact N-O 3.25Å; V236-S248 PolarHBondContact O-N 2.84Å; V236-L250 HydrophobicContact CG2-CB 3.59Å; V236-L250 HydrophobicContact CG2-CD2 4.2Å
237T91.9Very high87.1Confident15 Ų1549.3 Ų49.39%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-116.9128.1-174.7-55.40000110E201 Y239 T244 T246 S247E201-T237 PolarHBondContact N-O 2.89Å; E201-T237 PolarHBondContact O-N 3.24Å; T237-Y239 HydrophobicContact CG2-CD2 4.11Å; T237-Y239 HydrophobicContact CG2-CE2 3.51Å; T237-T244 HydrophobicContact CG2-CG2 3.93Å; T237-T246 WeakPolarHBondContact CA-O 3.44Å; T237-T246 WeakPolarHBondContact CG2-O 3.4Å; T237-S247 WeakPolarHBondContact OG1-CB 3.29Å; T237-S247 PolarHBondContact OG1-OG 3.41Å
238V90.9Very high87.4Confident2 Ų249.1 Ų49.11%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-95.4130.3175.9-170.10000109.6I187 L189 L221 L245 T246I187-V238 HydrophobicContact CD1-CG2 4.2Å; I187-V238 HydrophobicContact CG2-CG2 3.92Å; L189-V238 HydrophobicContact CD2-CG2 4.49Å; L221-V238 HydrophobicContact CD1-CG1 3.61Å; V238-L245 HydrophobicContact CG1-CD1 4.13Å; V238-L245 PolarHBondContact O-N 3.37Å; V238-T246 HydrophobicContact CB-CG2 4.04Å; V238-T246 HydrophobicContact CG2-CG2 4.03Å; V238-T246 PolarHBondContact N-O 3.45Å
239Y88.9Confident87.7Confident41 Ų4149.9 Ų49.916%0.16131%0.309CS..EExtended strand (participates in β ladder)trans-110.9147.6173.5-67.6-102.2000110.3C198 E199 E201 T237 K243 T244C198-Y239 CarbonylContact C-O 3.58Å; C198-Y239 WeakPolarHBondContact CA-O 3.28Å; E199-Y239 PolarHBondContact N-O 3.19Å; E199-Y239 PolarHBondContact O-N 2.89Å; E201-Y239 HydrophobicContact CB-CD2 4.2Å; E201-Y239 HydrophobicContact CB-CE2 3.68Å; E201-Y239 HydrophobicContact CG-CE2 4.47Å; T237-Y239 HydrophobicContact CG2-CD2 4.11Å; T237-Y239 HydrophobicContact CG2-CE2 3.51Å; Y239-K243 CarbonylContact C-O 3.56Å; Y239-K243 VanDerWaalsContact CA-O 3.24Å; Y239-K243 WeakPolarHBondContact CA-O 3.42Å; Y239-T244 HydrophobicContact CD1-CG2 3.94Å; Y239-T244 HydrophobicContact CE1-CG2 3.33Å; Y239-T244 HydrophobicContact CE2-CG2 4.37Å
240S85.4Confident87.9Confident16 Ų1649.6 Ų49.611%0.11231%0.307CS..EExtended strand (participates in β ladder)trans-151.9139.3167.3176.40000109A195 D197 G242 K243A195-S240 VanDerWaalsContact CB-OG 3.27Å; A195-S240 WeakPolarHBondContact CB-OG 3.37Å; D197-S240 PolarHBondContact OD1-OG 3.46Å; S240-G242 PolarHBondContact O-N 3.45Å; S240-G242 VanDerWaalsContact O-N 3.17Å; S240-K243 PolarHBondContact N-O 3.26Å; S240-K243 WeakPolarHBondContact O-CB 3.46Å; S240-K243 PolarHBondContact O-N 3.2Å
241G77.3Confident88.1Confident49 Ų4948.8 Ų48.851%0.50530%0.296SS..THydrogen-bonded Turntrans56.228.8-170.900000113.6D197 K243D197-G241 VanDerWaalsContact CG-N 3.28Å; D197-G241 PolarHBondContact OD1-N 3.28Å; D197-G241 WeakPolarHBondContact OD2-CA 3.07Å; D197-G241 PolarHBondContact OD2-N 3.15Å; G241-K243 PolarHBondContact O-N 3.34Å
242G75.9Confident88.3Confident69 Ų6947 Ų4771%0.71128%0.281SS*.THydrogen-bonded Turntrans69.5-1.8-170.900000115.8S240S240-G242 PolarHBondContact O-N 3.45Å; S240-G242 VanDerWaalsContact O-N 3.17Å
243K81.8Confident88.3Confident160 Ų16048 Ų4870%0.69628%0.277SS*.EExtended strand (participates in β ladder)trans-94.4138.5-179.5-63.7172.7-176.2172.10110.8Y239 S240 G241 L245Y239-K243 CarbonylContact C-O 3.56Å; Y239-K243 VanDerWaalsContact CA-O 3.24Å; Y239-K243 WeakPolarHBondContact CA-O 3.42Å; S240-K243 PolarHBondContact N-O 3.26Å; S240-K243 WeakPolarHBondContact O-CB 3.46Å; S240-K243 PolarHBondContact O-N 3.2Å; G241-K243 PolarHBondContact O-N 3.34Å; K243-L245 PolarHBondContact O-N 3.49Å
244T82.9Confident88.4Confident90 Ų9044.9 Ų44.955%0.55226%0.263SS*.EExtended strand (participates in β ladder)trans-65.5114.9168.250.10000109.9T237 Y239T237-T244 HydrophobicContact CG2-CG2 3.93Å; Y239-T244 HydrophobicContact CD1-CG2 3.94Å; Y239-T244 HydrophobicContact CE1-CG2 3.33Å; Y239-T244 HydrophobicContact CE2-CG2 4.37Å
245L81.3Confident88.2Confident47 Ų4755.9 Ų55.925%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-74.3-46.8170.2-65179.9000110.4L189 V238 K243L189-L245 HydrophobicContact CD1-CD1 4.49Å; V238-L245 HydrophobicContact CG1-CD1 4.13Å; V238-L245 PolarHBondContact O-N 3.37Å; K243-L245 PolarHBondContact O-N 3.49Å
246T83Confident88.1Confident19 Ų1959.3 Ų59.312%0.11732%0.318CS..EExtended strand (participates in β ladder)trans-171157.8-163.2-169.50000111.2V170 L189 T237 V238V170-T246 HydrophobicContact CB-CG2 4.09Å; V170-T246 HydrophobicContact CG2-CG2 3.37Å; L189-T246 HydrophobicContact CD2-CG2 4.26Å; T237-T246 WeakPolarHBondContact CA-O 3.44Å; T237-T246 WeakPolarHBondContact CG2-O 3.4Å; V238-T246 HydrophobicContact CB-CG2 4.04Å; V238-T246 HydrophobicContact CG2-CG2 4.03Å; V238-T246 PolarHBondContact N-O 3.45Å
247S86.2Confident87.9Confident58 Ų5863 Ų6341%0.40634%0.335SS..EExtended strand (participates in β ladder)trans-141.2147.5174.4-163.40000110.7S235 V236 T237S235-S247 PolarHBondContact OG-OG 3.42Å; V236-S247 CarbonylContact O-C 3.59Å; V236-S247 WeakPolarHBondContact O-CA 3.5Å; V236-S247 PolarHBondContact O-OG 3.01Å; T237-S247 WeakPolarHBondContact OG1-CB 3.29Å; T237-S247 PolarHBondContact OG1-OG 3.41Å
248S90.9Very high87.9Confident27 Ų2764 Ų6419%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-145.3-176.6177.6-169.20000109.8S235 V236S235-S248 WeakPolarHBondContact CA-O 3.46Å; V236-S248 PolarHBondContact N-O 3.25Å; V236-S248 PolarHBondContact O-N 2.84Å
249K91.9Very high87.8Confident144 Ų14468 Ų6863%0.62636%0.36SS*.EExtended strand (participates in β ladder)trans-114.8142.4176.2-65-178.9175-178.70111N233 V234N233-K249 HydrophobicContact CB-CD 4.46Å; V234-K249 WeakPolarHBondContact O-CA 3.31Å
250L93.6Very high87.7Confident0 Ų070.1 Ų70.10%038%0.377CS..EExtended strand (participates in β ladder)trans-123.6127.4170.9175.161.4000107.7I172 P174 V177 V185 F202 T225 V234 V236 Y252I172-L250 HydrophobicContact CG2-CD1 4.17Å; P174-L250 WeakPolarHBondContact O-CD1 3.49Å; V177-L250 HydrophobicContact CG1-CD1 4.22Å; V177-L250 HydrophobicContact CG2-CD1 4.07Å; V177-L250 HydrophobicContact CG2-CD2 3.95Å; V177-L250 HydrophobicContact CG2-CG 3.97Å; V185-L250 HydrophobicContact CG2-CD2 4.41Å; F202-L250 HydrophobicContact CE1-CD2 3.93Å; T225-L250 HydrophobicContact CG2-CD2 3.85Å; V234-L250 PolarHBondContact N-O 3.08Å; V234-L250 PolarHBondContact O-N 2.89Å; V236-L250 HydrophobicContact CG2-CB 3.59Å; V236-L250 HydrophobicContact CG2-CD2 4.2Å; L250-Y252 HydrophobicContact CD2-CE2 3.84Å; L250-Y252 HydrophobicContact CG-CD2 4.39Å; L250-Y252 HydrophobicContact CG-CE2 4.1Å
251Q93.6Very high87.7Confident65 Ų6573.8 Ų73.830%0.30439%0.392SS..EExtended strand (participates in β ladder)trans-89.7118.3179.3-172-172.711.700110.4S175 R176 V177 G232S175-Q251 PolarHBondContact O-N 2.81Å; S175-Q251 VanDerWaalsContact O-N 3.14Å; R176-Q251 CarbonylContact C-O 3.59Å; R176-Q251 VanDerWaalsContact CA-O 3.23Å; R176-Q251 WeakPolarHBondContact CA-O 3.27Å; R176-Q251 HydrophobicContact CG-CB 4.21Å; V177-Q251 PolarHBondContact N-O 3.22Å; G232-Q251 CarbonylContact O-C 3.59Å; G232-Q251 WeakPolarHBondContact O-CA 3.39Å
252Y93.8Very high88.1Confident1 Ų176 Ų760%0.00439%0.392CS..EExtended strand (participates in β ladder)trans-85.2138.9165.9-76.4-108.9000109V177 T225 F229 P230 A231 G232 V234 L250V177-Y252 HydrophobicContact CG2-CD1 3.85Å; V177-Y252 HydrophobicContact CG2-CD2 3.99Å; V177-Y252 HydrophobicContact CG2-CE1 3.87Å; V177-Y252 HydrophobicContact CG2-CE2 4.02Å; V177-Y252 HydrophobicContact CG2-CG 3.93Å; V177-Y252 CarbonylContact O-C 3.59Å; V177-Y252 VanDerWaalsContact O-CA 3.3Å; V177-Y252 WeakPolarHBondContact O-CA 3.26Å; T225-Y252 WeakPolarHBondContact CB-OH 3.28Å; F229-Y252 HydrophobicContact CB-CD1 3.82Å; F229-Y252 HydrophobicContact CB-CD2 4.47Å; F229-Y252 HydrophobicContact CB-CE1 3.66Å; F229-Y252 HydrophobicContact CB-CE2 4.32Å; F229-Y252 HydrophobicContact CB-CG 4.21Å; F229-Y252 HydrophobicContact CG-CE1 4.45Å; P230-Y252 WeakPolarHBondContact O-CB 3.03Å; A231-Y252 WeakPolarHBondContact CA-O 3.44Å; G232-Y252 PolarHBondContact N-O 2.81Å; G232-Y252 PolarHBondContact O-N 3.5Å; V234-Y252 HydrophobicContact CB-CD2 3.79Å; V234-Y252 HydrophobicContact CB-CE2 3.72Å; V234-Y252 HydrophobicContact CG1-CE2 4.08Å; V234-Y252 HydrophobicContact CG2-CD2 3.31Å; V234-Y252 HydrophobicContact CG2-CE2 3.56Å; V234-Y252 HydrophobicContact CG2-CG 4.19Å; L250-Y252 HydrophobicContact CD2-CE2 3.84Å; L250-Y252 HydrophobicContact CG-CD2 4.39Å; L250-Y252 HydrophobicContact CG-CE2 4.1Å
253Y92.9Very high88.5Confident47 Ų4776.4 Ų76.418%0.18438%0.378CS..EExtended strand (participates in β ladder)trans-135.5146.4-178.864.9-98000113.1R176 V177 P178 C179 E258R176-Y253 HydrophobicContact CB-CD1 3.9Å; R176-Y253 HydrophobicContact CB-CE1 3.83Å; V177-Y253 VanDerWaalsContact C-CD1 3.44Å; V177-Y253 WeakPolarHBondContact O-CD1 3.26Å; V177-Y253 WeakPolarHBondContact O-CE1 3.44Å; V177-Y253 PolarHBondContact O-N 3.34Å; P178-Y253 WeakPolarHBondContact CA-O 3.46Å; P178-Y253 HydrophobicContact CB-CE2 4.03Å; C179-Y253 PolarHBondContact N-O 3.43Å; C179-Y253 PolarHBondContact SG-O 2.81Å; Y253-E258 HydrophobicContact CD2-CB 3.76Å; Y253-E258 HydrophobicContact CD2-CG 4.33Å; Y253-E258 HydrophobicContact CE2-CB 3.76Å; Y253-E258 HydrophobicContact CE2-CG 3.91Å
254T93.5Very high88.5Confident49 Ų4973.1 Ų73.130%0.30137%0.374SS..  trans-82.4161.416963.10000111.5A231 I256 E257 E258A231-T254 HydrophobicContact CB-CG2 3.94Å; T254-I256 PolarHBondContact O-N 3.3Å; T254-I256 VanDerWaalsContact OG1-CG2 3.3Å; T254-I256 WeakPolarHBondContact OG1-CG2 3.43Å; T254-E257 VanDerWaalsContact CB-OE2 3.29Å; T254-E257 WeakPolarHBondContact CB-OE2 3.23Å; T254-E257 WeakPolarHBondContact CG2-OE2 3.32Å; T254-E257 PolarHBondContact N-OE2 2.96Å; T254-E257 PolarHBondContact O-N 2.93Å; T254-E257 WeakPolarHBondContact OG1-CG 3.41Å; T254-E257 PolarHBondContact OG1-N 2.96Å; T254-E257 PolarHBondContact OG1-OE2 3.43Å; T254-E258 PolarHBondContact O-N 3.06Å
255R90.3Very high88.2Confident233 Ų23373.2 Ų73.288%0.87938%0.379SS*.Hα-helixtrans-59.5-29.5175.3-61.4-176.6-173.2176.22113.2L259R255-L259 WeakPolarHBondContact O-CB 3.3Å; R255-L259 PolarHBondContact O-N 3.47Å
256I90.4Very high88.1Confident111 Ų11173.2 Ų73.257%0.56938%0.381SS*.Hα-helixtrans-79.8-33.8178.3-17459.2000112.3T254 L259 T260T254-I256 PolarHBondContact O-N 3.3Å; T254-I256 VanDerWaalsContact OG1-CG2 3.3Å; T254-I256 WeakPolarHBondContact OG1-CG2 3.43Å; I256-L259 HydrophobicContact CD1-CD2 4.19Å; I256-L259 PolarHBondContact O-N 2.88Å; I256-T260 WeakPolarHBondContact O-CB 3.36Å; I256-T260 PolarHBondContact O-N 3.13Å; I256-T260 PolarHBondContact O-OG1 2.86Å
257E90.3Very high87.5Confident79 Ų7977.1 Ų77.137%0.36942%0.415SS..Hα-helixtrans-67-37.5170.3-72161.8124.100111.2A231 T254 T260 H261A231-E257 VanDerWaalsContact CB-OE2 3.27Å; A231-E257 WeakPolarHBondContact CB-OE2 3.48Å; T254-E257 VanDerWaalsContact CB-OE2 3.29Å; T254-E257 WeakPolarHBondContact CB-OE2 3.23Å; T254-E257 WeakPolarHBondContact CG2-OE2 3.32Å; T254-E257 PolarHBondContact N-OE2 2.96Å; T254-E257 PolarHBondContact O-N 2.93Å; T254-E257 WeakPolarHBondContact OG1-CG 3.41Å; T254-E257 PolarHBondContact OG1-N 2.96Å; T254-E257 PolarHBondContact OG1-OE2 3.43Å; E257-T260 PolarHBondContact O-N 3.46Å; E257-H261 VanDerWaalsContact O-CB 3.29Å; E257-H261 WeakPolarHBondContact O-CB 3.44Å; E257-H261 PolarHBondContact O-N 3.21Å
258E90.5Very high87.3Confident36 Ų3677.1 Ų77.117%0.16841%0.41CS..Hα-helixtrans-68.5-40.5174-163.356.1-146.300112.2R176 Y253 T254 T260 H261 L262R176-E258 IonicContact CZ-OE2 3Å; R176-E258 VanDerWaalsContact NH1-CD 3.35Å; R176-E258 IonicContact NH1-OE1 2.76Å; R176-E258 PolarHBondContact NH1-OE1 3.37Å; R176-E258 IonicContact NH1-OE2 2.61Å; R176-E258 PolarHBondContact NH1-OE2 3.47Å; R176-E258 IonicContact NH2-OE2 3.72Å; R176-E258 PolarHBondContact NH2-OE2 3.41Å; Y253-E258 HydrophobicContact CD2-CB 3.76Å; Y253-E258 HydrophobicContact CD2-CG 4.33Å; Y253-E258 HydrophobicContact CE2-CB 3.76Å; Y253-E258 HydrophobicContact CE2-CG 3.91Å; T254-E258 PolarHBondContact O-N 3.06Å; E258-T260 VanDerWaalsContact C-N 3.3Å; E258-T260 PolarHBondContact O-N 3.42Å; E258-H261 PolarHBondContact O-N 2.81Å; E258-H261 IonicContact OE1-CE1 3.96Å; E258-H261 IonicContact OE1-CG 3.13Å; E258-H261 IonicContact OE1-ND1 2.66Å; E258-H261 PolarHBondContact OE1-ND1 2.81Å; E258-L262 HydrophobicContact CG-CD1 4.18Å; E258-L262 HydrophobicContact CG-CG 4.45Å; E258-L262 WeakPolarHBondContact O-CB 3.16Å; E258-L262 VanDerWaalsContact O-CG 3.27Å; E258-L262 WeakPolarHBondContact O-CG 3.14Å; E258-L262 PolarHBondContact O-N 3.41Å
259L89.2Confident87.2Confident88 Ų8878.6 Ų78.646%0.46142%0.419SS..Hα-helixtrans-61.3-41.3172.8-178.960.3000111.3R255 I256 L263R255-L259 WeakPolarHBondContact O-CB 3.3Å; R255-L259 PolarHBondContact O-N 3.47Å; I256-L259 HydrophobicContact CD1-CD2 4.19Å; I256-L259 PolarHBondContact O-N 2.88Å; L259-L263 HydrophobicContact CD1-CD1 3.93Å; L259-L263 HydrophobicContact CD1-CG 4.08Å; L259-L263 HydrophobicContact CG-CD1 3.9Å; L259-L263 HydrophobicContact CG-CG 4.43Å; L259-L263 VanDerWaalsContact O-CB 3.3Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 VanDerWaalsContact O-CG 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.41Å; L259-L263 PolarHBondContact O-N 2.8Å
260T86.6Confident87.1Confident85 Ų8572.2 Ų72.252%0.52139%0.392SS..Hα-helixtrans-64-42.2174.5-56.40000111.7I256 E257 E258 S264I256-T260 WeakPolarHBondContact O-CB 3.36Å; I256-T260 PolarHBondContact O-N 3.13Å; I256-T260 PolarHBondContact O-OG1 2.86Å; E257-T260 PolarHBondContact O-N 3.46Å; E258-T260 VanDerWaalsContact C-N 3.3Å; E258-T260 PolarHBondContact O-N 3.42Å; T260-S264 VanDerWaalsContact O-CB 3.26Å; T260-S264 WeakPolarHBondContact O-CB 3.4Å; T260-S264 PolarHBondContact O-N 3.5Å; T260-S264 PolarHBondContact O-OG 2.86Å
261H85.4Confident86.8Confident93 Ų9377.1 Ų77.143%0.43142%0.415SS..Hα-helixtrans-61.1-50.1176.3174.5-107.9000111.2R176 E257 E258 S264 S265R176-H261 PolarHBondContact NH1-ND1 3.45Å; E257-H261 VanDerWaalsContact O-CB 3.29Å; E257-H261 WeakPolarHBondContact O-CB 3.44Å; E257-H261 PolarHBondContact O-N 3.21Å; E258-H261 PolarHBondContact O-N 2.81Å; E258-H261 IonicContact OE1-CE1 3.96Å; E258-H261 IonicContact OE1-CG 3.13Å; E258-H261 IonicContact OE1-ND1 2.66Å; E258-H261 PolarHBondContact OE1-ND1 2.81Å; H261-S264 PolarHBondContact O-N 2.89Å; H261-S264 PolarHBondContact O-OG 3.18Å; H261-S265 PolarHBondContact O-N 3.34Å
262L86.3Confident86.6Confident95 Ų9578.2 Ų78.250%0.49742%0.419SS..Hα-helixtrans-61.3-47.8176.8-68.5169000111.8E258 S264 S265E258-L262 HydrophobicContact CG-CD1 4.18Å; E258-L262 HydrophobicContact CG-CG 4.45Å; E258-L262 WeakPolarHBondContact O-CB 3.16Å; E258-L262 VanDerWaalsContact O-CG 3.27Å; E258-L262 WeakPolarHBondContact O-CG 3.14Å; E258-L262 PolarHBondContact O-N 3.41Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 3.33Å; L262-S265 PolarHBondContact O-N 3.48Å; L262-S265 VanDerWaalsContact O-N 3.08Å; L262-S265 PolarHBondContact O-OG 3.37Å
263L84.6Confident86.5Confident78 Ų7879.6 Ų79.641%0.40843%0.426SS..Hα-helixtrans-65.7-28176.2-69.5173.7000113L259 S265 V266 F272L259-L263 HydrophobicContact CD1-CD1 3.93Å; L259-L263 HydrophobicContact CD1-CG 4.08Å; L259-L263 HydrophobicContact CG-CD1 3.9Å; L259-L263 HydrophobicContact CG-CG 4.43Å; L259-L263 VanDerWaalsContact O-CB 3.3Å; L259-L263 WeakPolarHBondContact O-CB 3.49Å; L259-L263 VanDerWaalsContact O-CG 3.24Å; L259-L263 WeakPolarHBondContact O-CG 3.41Å; L259-L263 PolarHBondContact O-N 2.8Å; L263-S265 PolarHBondContact O-N 3.17Å; L263-V266 WeakPolarHBondContact O-CB 3.39Å; L263-V266 PolarHBondContact O-N 3.34Å; L263-F272 HydrophobicContact CD2-CE1 4.19Å; L263-F272 HydrophobicContact CD2-CE2 4.2Å; L263-F272 HydrophobicContact CD2-CZ 3.94Å
264S81.5Confident86.4Confident90 Ų9078.4 Ų78.463%0.62942%0.424SS*.Hα-helixtrans-71.8-16173.675.30000113.8T260 H261 L262T260-S264 VanDerWaalsContact O-CB 3.26Å; T260-S264 WeakPolarHBondContact O-CB 3.4Å; T260-S264 PolarHBondContact O-N 3.5Å; T260-S264 PolarHBondContact O-OG 2.86Å; H261-S264 PolarHBondContact O-N 2.89Å; H261-S264 PolarHBondContact O-OG 3.18Å; L262-S264 VanDerWaalsContact C-N 3.28Å; L262-S264 PolarHBondContact O-N 3.33Å
265S75.6Confident86.2Confident92 Ų9282 Ų8264%0.64344%0.437SS*.THydrogen-bonded Turntrans-86.4-9.5172.275.80000113.5H261 L262 L263 A267H261-S265 PolarHBondContact O-N 3.34Å; L262-S265 PolarHBondContact O-N 3.48Å; L262-S265 VanDerWaalsContact O-N 3.08Å; L262-S265 PolarHBondContact O-OG 3.37Å; L263-S265 PolarHBondContact O-N 3.17Å; S265-A267 PolarHBondContact O-N 3.02Å
266V79Confident86.2Confident48 Ų4874 Ų7429%0.29142%0.421SS..  trans-77.8113.3174.7174.20000109.8L263 D268 F272L263-V266 WeakPolarHBondContact O-CB 3.39Å; L263-V266 PolarHBondContact O-N 3.34Å; V266-D268 VanDerWaalsContact CG1-O 3.23Å; V266-D268 WeakPolarHBondContact CG1-O 3.3Å; V266-F272 HydrophobicContact CG1-CB 3.56Å; V266-F272 HydrophobicContact CG1-CG 4.33Å; V266-F272 HydrophobicContact CG2-CB 4.15Å; V266-F272 HydrophobicContact CG2-CD2 3.92Å; V266-F272 HydrophobicContact CG2-CG 4.21Å
267A71Confident86.2Confident101 Ų10170.7 Ų70.784%0.83541%0.405SS*.SBendtrans-74.5-35.5176.700000113.1S265S265-A267 PolarHBondContact O-N 3.02Å
268D83.2Confident86.2Confident58 Ų5875.2 Ų75.231%0.3143%0.426SS..  trans-131120.5177.9176.428.9000112.2V266 V270 E271 F272V266-D268 VanDerWaalsContact CG1-O 3.23Å; V266-D268 WeakPolarHBondContact CG1-O 3.3Å; D268-V270 PolarHBondContact O-N 3.42Å; D268-V270 PolarHBondContact OD1-N 2.93Å; D268-V270 WeakPolarHBondContact OD2-CB 3.34Å; D268-E271 HydrophobicContact CB-CB 4.09Å; D268-E271 PolarHBondContact O-N 3.32Å; D268-E271 PolarHBondContact OD2-N 3.43Å; D268-F272 PolarHBondContact O-N 3.43Å; D268-F272 VanDerWaalsContact O-N 3.13Å
269P87.2Confident86.1Confident57 Ų5774.1 Ų74.137%0.3742%0.423SS..Hα-helixtrans-56-30.1171.5-27.436.1000114.6M273P269-M273 WeakPolarHBondContact O-CB 3.38Å; P269-M273 WeakPolarHBondContact O-CE 3.47Å; P269-M273 VanDerWaalsContact O-CG 3.3Å; P269-M273 WeakPolarHBondContact O-CG 3.4Å; P269-M273 PolarHBondContact O-N 2.9Å
270V89.9Confident86Confident10 Ų1074.9 Ų74.96%0.06143%0.434CS..Hα-helixtrans-71.8-45177.8171.40000111.1D268 F272 M273 C274 V282 L285 Y333 F335D268-V270 PolarHBondContact O-N 3.42Å; D268-V270 PolarHBondContact OD1-N 2.93Å; D268-V270 WeakPolarHBondContact OD2-CB 3.34Å; V270-F272 VanDerWaalsContact C-N 3.34Å; V270-F272 PolarHBondContact O-N 2.94Å; V270-M273 HydrophobicContact CB-CE 4.48Å; V270-M273 HydrophobicContact CG2-CE 3.92Å; V270-M273 PolarHBondContact O-N 3.42Å; V270-C274 WeakPolarHBondContact O-CB 3.48Å; V270-C274 PolarHBondContact O-N 2.85Å; V270-C274 PolarHBondContact O-SG 2.68Å; V270-C274 VanDerWaalsContact O-SG 3.42Å; V270-V282 HydrophobicContact CG1-CG2 4.16Å; V270-L285 HydrophobicContact CG1-CD2 3.96Å; V270-Y333 HydrophobicContact CB-CD1 4.38Å; V270-Y333 HydrophobicContact CG2-CD1 3.22Å; V270-Y333 HydrophobicContact CG2-CD2 4.15Å; V270-Y333 HydrophobicContact CG2-CE1 3.61Å; V270-Y333 HydrophobicContact CG2-CG 3.5Å; V270-Y333 VanDerWaalsContact CG2-CG 3.5Å; V270-F335 HydrophobicContact CG2-CZ 3.91Å
271E88Confident86.2Confident104 Ų10472.5 Ų72.549%0.48642%0.421SS..Hα-helixtrans-54.9-47.8171.4-162.2-164.7159.600112D268 M273 C274 Q275D268-E271 HydrophobicContact CB-CB 4.09Å; D268-E271 PolarHBondContact O-N 3.32Å; D268-E271 PolarHBondContact OD2-N 3.43Å; E271-M273 PolarHBondContact O-N 3.39Å; E271-C274 WeakPolarHBondContact O-CB 3.11Å; E271-C274 PolarHBondContact O-N 3.24Å; E271-Q275 WeakPolarHBondContact O-CG 3.33Å; E271-Q275 PolarHBondContact O-N 3.02Å; E271-Q275 PolarHBondContact OE1-NE2 2.57Å
272F90.3Very high86.5Confident87 Ų8770.7 Ų70.738%0.38242%0.417SS..Hα-helixtrans-61-42.7177.2169.1-98.3000112.9L263 V266 D268 V270 Q275 A276L263-F272 HydrophobicContact CD2-CE1 4.19Å; L263-F272 HydrophobicContact CD2-CE2 4.2Å; L263-F272 HydrophobicContact CD2-CZ 3.94Å; V266-F272 HydrophobicContact CG1-CB 3.56Å; V266-F272 HydrophobicContact CG1-CG 4.33Å; V266-F272 HydrophobicContact CG2-CB 4.15Å; V266-F272 HydrophobicContact CG2-CD2 3.92Å; V266-F272 HydrophobicContact CG2-CG 4.21Å; D268-F272 PolarHBondContact O-N 3.43Å; D268-F272 VanDerWaalsContact O-N 3.13Å; V270-F272 VanDerWaalsContact C-N 3.34Å; V270-F272 PolarHBondContact O-N 2.94Å; F272-Q275 PolarHBondContact O-N 3.46Å; F272-A276 WeakPolarHBondContact O-CB 3.38Å; F272-A276 PolarHBondContact O-N 3.08Å
273M90.6Very high86.8Confident31 Ų3171.7 Ų71.715%0.15342%0.419CS..Hα-helixtrans-64.9-39.2174.5-74.3-174.8-65.200112.1P269 V270 E271 A276 L277 L285 L289 F329 F335P269-M273 WeakPolarHBondContact O-CB 3.38Å; P269-M273 WeakPolarHBondContact O-CE 3.47Å; P269-M273 VanDerWaalsContact O-CG 3.3Å; P269-M273 WeakPolarHBondContact O-CG 3.4Å; P269-M273 PolarHBondContact O-N 2.9Å; V270-M273 HydrophobicContact CB-CE 4.48Å; V270-M273 HydrophobicContact CG2-CE 3.92Å; V270-M273 PolarHBondContact O-N 3.42Å; E271-M273 PolarHBondContact O-N 3.39Å; M273-A276 PolarHBondContact O-N 3.29Å; M273-L277 VanDerWaalsContact O-CB 3.26Å; M273-L277 WeakPolarHBondContact O-CB 3.47Å; M273-L277 PolarHBondContact O-N 3.02Å; M273-L285 HydrophobicContact CB-CD1 3.92Å; M273-L285 HydrophobicContact CB-CD2 3.72Å; M273-L285 HydrophobicContact CB-CG 4.49Å; M273-L285 HydrophobicContact CE-CD2 4.04Å; M273-L289 HydrophobicContact SD-CD1 4.39Å; M273-F329 HydrophobicContact CE-CE1 4.04Å; M273-F329 HydrophobicContact CE-CZ 3.53Å; M273-F329 HydrophobicContact SD-CE1 4.32Å; M273-F329 HydrophobicContact SD-CZ 4.02Å; M273-F335 HydrophobicContact CE-CE2 4.13Å; M273-F335 HydrophobicContact CE-CZ 3.97Å
274C90.8Very high87Confident21 Ų2173.3 Ų73.314%0.14242%0.423CS..Hα-helixtrans-60.8-44.6173.9-78.70000111.7V270 E271 Q278 A279V270-C274 WeakPolarHBondContact O-CB 3.48Å; V270-C274 PolarHBondContact O-N 2.85Å; V270-C274 PolarHBondContact O-SG 2.68Å; V270-C274 VanDerWaalsContact O-SG 3.42Å; E271-C274 WeakPolarHBondContact O-CB 3.11Å; E271-C274 PolarHBondContact O-N 3.24Å; C274-Q278 CarbonylContact O-C 3.55Å; C274-Q278 VanDerWaalsContact O-CA 3.27Å; C274-Q278 WeakPolarHBondContact O-CA 3.4Å; C274-Q278 PolarHBondContact O-N 3.26Å; C274-A279 WeakPolarHBondContact CB-O 3.45Å; C274-A279 PolarHBondContact O-N 2.89Å
275Q88.9Confident87.7Confident124 Ų12469 Ų6958%0.57939%0.393SS*.Hα-helixtrans-63-50.9175-67.6174.114.700111.6E271 F272 Q278E271-Q275 WeakPolarHBondContact O-CG 3.33Å; E271-Q275 PolarHBondContact O-N 3.02Å; E271-Q275 PolarHBondContact OE1-NE2 2.57Å; F272-Q275 PolarHBondContact O-N 3.46Å; Q275-Q278 PolarHBondContact O-N 3.06Å
276A90.8Very high88.6Confident66 Ų6665.1 Ų65.155%0.54536%0.364SS..Hα-helixtrans-67.8-38.8-17600000113.5F272 M273F272-A276 WeakPolarHBondContact O-CB 3.38Å; F272-A276 PolarHBondContact O-N 3.08Å; M273-A276 PolarHBondContact O-N 3.29Å
277L90.8Very high89.2Confident42 Ų4266.4 Ų66.422%0.2237%0.367CS..Hα-helixtrans-94.62.5179.8-62.4170.7000113.2M273 A279 L285 K288 L289 M292M273-L277 VanDerWaalsContact O-CB 3.26Å; M273-L277 WeakPolarHBondContact O-CB 3.47Å; M273-L277 PolarHBondContact O-N 3.02Å; L277-A279 VanDerWaalsContact C-N 3.32Å; L277-A279 PolarHBondContact O-N 2.68Å; L277-L285 HydrophobicContact CB-CD1 4.38Å; L277-L285 HydrophobicContact CD1-CD1 3.65Å; L277-K288 HydrophobicContact CB-CD 4.3Å; L277-K288 WeakPolarHBondContact O-CE 3.5Å; L277-K288 PolarHBondContact O-NZ 2.77Å; L277-L289 HydrophobicContact CD1-CD2 3.78Å; L277-L289 HydrophobicContact CD1-CG 4.42Å; L277-M292 HydrophobicContact CD1-CE 3.79Å; L277-M292 HydrophobicContact CD2-CE 3.86Å; L277-M292 HydrophobicContact CD2-SD 4.18Å; L277-M292 HydrophobicContact CG-CE 4.49Å
278Q89.6Confident90.3Very high173 Ų17365.8 Ų65.881%0.80835%0.346SS*.THydrogen-bonded Turntrans57.441.3178.8-53.7172.614.200113C274 Q275C274-Q278 CarbonylContact O-C 3.55Å; C274-Q278 VanDerWaalsContact O-CA 3.27Å; C274-Q278 WeakPolarHBondContact O-CA 3.4Å; C274-Q278 PolarHBondContact O-N 3.26Å; Q275-Q278 PolarHBondContact O-N 3.06Å
279A89Confident90.8Very high14 Ų1464.8 Ų64.812%0.11634%0.34CS..  trans-96.4135.8173.400000110.3C274 L277 K284 L285C274-A279 WeakPolarHBondContact CB-O 3.45Å; C274-A279 PolarHBondContact O-N 2.89Å; L277-A279 VanDerWaalsContact C-N 3.32Å; L277-A279 PolarHBondContact O-N 2.68Å; A279-K284 HydrophobicContact CB-CB 4.35Å; A279-L285 HydrophobicContact CB-CB 3.9Å; A279-L285 HydrophobicContact CB-CD1 4.47Å
280C87.4Confident91Very high103 Ų10362.6 Ų62.670%0.69633%0.327SS*.SBendtrans-96.74.4-178.8740000114.3K284C280-K284 PolarHBondContact SG-NZ 3.43Å; C280-K284 VanDerWaalsContact SG-NZ 3.44Å
281S90.4Very high91Very high35 Ų3564.9 Ų64.925%0.24534%0.343CS..SBendtrans-160.9166.3175.982.20000111.1E283 K284 L285S281-E283 VanDerWaalsContact C-N 3.28Å; S281-E283 WeakPolarHBondContact CB-OE2 3.32Å; S281-E283 PolarHBondContact O-N 3.35Å; S281-E283 PolarHBondContact OG-OE2 3.01Å; S281-K284 PolarHBondContact O-N 3.07Å; S281-K284 PolarHBondContact OG-N 3.16Å; S281-L285 PolarHBondContact O-N 3.03Å
282V91.3Very high91.1Very high55 Ų5562.8 Ų62.833%0.33333%0.334SS..Hα-helixtrans-64.8-35.1-179.1-172.80000111.1V270 L285 D286 F335V270-V282 HydrophobicContact CG1-CG2 4.16Å; V282-L285 WeakPolarHBondContact O-CB 3.36Å; V282-L285 PolarHBondContact O-N 3.27Å; V282-D286 WeakPolarHBondContact O-CB 3.48Å; V282-D286 PolarHBondContact O-N 2.88Å; V282-F335 HydrophobicContact CG1-CD1 4.06Å; V282-F335 HydrophobicContact CG1-CE1 3.68Å
283E91.9Very high91.1Very high117 Ų11760.3 Ų60.355%0.54732%0.324SS..Hα-helixtrans-72.3-41.3-179.4-48.971-15200110.9S281 L285 D286 Q287S281-E283 VanDerWaalsContact C-N 3.28Å; S281-E283 WeakPolarHBondContact CB-OE2 3.32Å; S281-E283 PolarHBondContact O-N 3.35Å; S281-E283 PolarHBondContact OG-OE2 3.01Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.12Å; E283-D286 WeakPolarHBondContact O-CB 3.43Å; E283-D286 PolarHBondContact O-N 3.2Å; E283-Q287 WeakPolarHBondContact O-CB 3.44Å; E283-Q287 VanDerWaalsContact O-CG 3.29Å; E283-Q287 WeakPolarHBondContact O-CG 3.49Å; E283-Q287 PolarHBondContact O-N 3.33Å
284K90.9Very high90.9Very high111 Ų11159.6 Ų59.648%0.48332%0.321SS..Hα-helixtrans-69.2-30.1173.4-68.7-170.1-172.5177.10112.2A279 C280 S281 K288A279-K284 HydrophobicContact CB-CB 4.35Å; C280-K284 PolarHBondContact SG-NZ 3.43Å; C280-K284 VanDerWaalsContact SG-NZ 3.44Å; S281-K284 PolarHBondContact O-N 3.07Å; S281-K284 PolarHBondContact OG-N 3.16Å; K284-K288 VanDerWaalsContact O-CB 3.3Å; K284-K288 WeakPolarHBondContact O-CB 3.44Å; K284-K288 PolarHBondContact O-N 3.07Å
285L94.6Very high90.6Very high0 Ų065.6 Ų65.60%035%0.347CS..Hα-helixtrans-67.8-47171176.964000110.9V270 M273 L277 A279 S281 V282 E283 Q287 K288 L289 F335V270-L285 HydrophobicContact CG1-CD2 3.96Å; M273-L285 HydrophobicContact CB-CD1 3.92Å; M273-L285 HydrophobicContact CB-CD2 3.72Å; M273-L285 HydrophobicContact CB-CG 4.49Å; M273-L285 HydrophobicContact CE-CD2 4.04Å; L277-L285 HydrophobicContact CB-CD1 4.38Å; L277-L285 HydrophobicContact CD1-CD1 3.65Å; A279-L285 HydrophobicContact CB-CB 3.9Å; A279-L285 HydrophobicContact CB-CD1 4.47Å; S281-L285 PolarHBondContact O-N 3.03Å; V282-L285 WeakPolarHBondContact O-CB 3.36Å; V282-L285 PolarHBondContact O-N 3.27Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.12Å; L285-Q287 PolarHBondContact O-N 2.93Å; L285-K288 PolarHBondContact O-N 3.08Å; L285-L289 HydrophobicContact CD1-CD1 3.95Å; L285-L289 HydrophobicContact CD1-CD2 4.44Å; L285-L289 HydrophobicContact CD1-CG 3.89Å; L285-L289 HydrophobicContact CD2-CD1 4.4Å; L285-L289 HydrophobicContact CG-CD1 3.82Å; L285-L289 HydrophobicContact CG-CG 4.2Å; L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.29Å; L285-L289 PolarHBondContact O-N 3.19Å; L285-F335 HydrophobicContact CD2-CE1 3.98Å; L285-F335 HydrophobicContact CD2-CZ 3.72Å; L285-F335 HydrophobicContact CG-CE1 4.28Å; L285-F335 HydrophobicContact CG-CZ 4.28Å
286D95.2Very high90.3Very high10 Ų1066.7 Ų66.75%0.05336%0.356CS..Hα-helixtrans-55.8-49.7174.6-177.228.9000111.5V282 E283 K288 L289 S290 F335 R336 S337 V338V282-D286 WeakPolarHBondContact O-CB 3.48Å; V282-D286 PolarHBondContact O-N 2.88Å; E283-D286 WeakPolarHBondContact O-CB 3.43Å; E283-D286 PolarHBondContact O-N 3.2Å; D286-K288 PolarHBondContact O-N 2.87Å; D286-L289 PolarHBondContact O-N 2.97Å; D286-S290 WeakPolarHBondContact O-CB 3.35Å; D286-S290 PolarHBondContact O-N 3.35Å; D286-F335 HydrophobicContact CB-CB 4.32Å; D286-F335 HydrophobicContact CB-CD1 3.84Å; D286-F335 HydrophobicContact CB-CG 4.42Å; D286-F335 VanDerWaalsContact CG-CA 3.49Å; D286-F335 VanDerWaalsContact OD1-C 3.32Å; D286-F335 WeakPolarHBondContact OD1-CA 3.39Å; D286-F335 WeakPolarHBondContact OD1-CB 3.48Å; D286-R336 PolarHBondContact OD1-N 2.93Å; D286-R336 PolarHBondContact OD2-N 2.92Å; D286-S337 WeakPolarHBondContact OD1-CB 3.25Å; D286-S337 PolarHBondContact OD1-N 2.71Å; D286-S337 VanDerWaalsContact OD1-N 3.17Å; D286-S337 WeakPolarHBondContact OD2-CB 3.46Å; D286-S337 PolarHBondContact OD2-N 3.38Å; D286-S337 PolarHBondContact OD2-OG 3.42Å; D286-V338 WeakPolarHBondContact OD1-CG2 3.22Å; D286-V338 PolarHBondContact OD1-N 2.81Å
287Q92.4Very high89.7Confident75 Ų7564 Ų6435%0.3533%0.332SS..Hα-helixtrans-56.1-46.6173.4-73.2171.5-17.600112.2E283 L285 S290 S291E283-Q287 WeakPolarHBondContact O-CB 3.44Å; E283-Q287 VanDerWaalsContact O-CG 3.29Å; E283-Q287 WeakPolarHBondContact O-CG 3.49Å; E283-Q287 PolarHBondContact O-N 3.33Å; L285-Q287 PolarHBondContact O-N 2.93Å; Q287-S290 WeakPolarHBondContact O-CB 3.48Å; Q287-S290 PolarHBondContact O-N 3.09Å; Q287-S291 PolarHBondContact O-N 3.2Å; Q287-S291 PolarHBondContact O-OG 2.9Å
288K92.6Very high89.1Confident88 Ų8864.7 Ų64.738%0.38334%0.34SS..Hα-helixtrans-71.2-39.6-177.9-170.6161.9-176.9171.30113.1L277 K284 L285 D286 S290 M292L277-K288 HydrophobicContact CB-CD 4.3Å; L277-K288 WeakPolarHBondContact O-CE 3.5Å; L277-K288 PolarHBondContact O-NZ 2.77Å; K284-K288 VanDerWaalsContact O-CB 3.3Å; K284-K288 WeakPolarHBondContact O-CB 3.44Å; K284-K288 PolarHBondContact O-N 3.07Å; L285-K288 PolarHBondContact O-N 3.08Å; D286-K288 PolarHBondContact O-N 2.87Å; K288-S290 VanDerWaalsContact C-N 3.32Å; K288-M292 HydrophobicContact CG-CE 4.47Å; K288-M292 WeakPolarHBondContact O-CG 3.46Å; K288-M292 PolarHBondContact O-N 3.02Å
289L93.8Very high87.5Confident37 Ų3759.2 Ų59.219%0.19432%0.318CS..Hα-helixtrans-63.1-40.6171.3-70.9173.8000110.9M273 L277 L285 D286 M292 L293 F335 V338M273-L289 HydrophobicContact SD-CD1 4.39Å; L277-L289 HydrophobicContact CD1-CD2 3.78Å; L277-L289 HydrophobicContact CD1-CG 4.42Å; L285-L289 HydrophobicContact CD1-CD1 3.95Å; L285-L289 HydrophobicContact CD1-CD2 4.44Å; L285-L289 HydrophobicContact CD1-CG 3.89Å; L285-L289 HydrophobicContact CD2-CD1 4.4Å; L285-L289 HydrophobicContact CG-CD1 3.82Å; L285-L289 HydrophobicContact CG-CG 4.2Å; L285-L289 WeakPolarHBondContact O-CB 3.48Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.29Å; L285-L289 PolarHBondContact O-N 3.19Å; D286-L289 PolarHBondContact O-N 2.97Å; L289-M292 HydrophobicContact CD2-CE 3.89Å; L289-L293 VanDerWaalsContact O-CB 3.26Å; L289-L293 WeakPolarHBondContact O-CB 3.15Å; L289-L293 PolarHBondContact O-N 2.74Å; L289-F335 HydrophobicContact CD1-CD2 4.31Å; L289-F335 HydrophobicContact CD1-CE2 3.93Å; L289-F335 HydrophobicContact CD1-CZ 4.09Å; L289-V338 HydrophobicContact CB-CG2 3.58Å
290S92.2Very high86Confident12 Ų1260 Ų608%0.08433%0.327CS..Hα-helixtrans-60.8-50.3175.8-179.60000111.3D286 Q287 K288 L293 L294 L341D286-S290 WeakPolarHBondContact O-CB 3.35Å; D286-S290 PolarHBondContact O-N 3.35Å; Q287-S290 WeakPolarHBondContact O-CB 3.48Å; Q287-S290 PolarHBondContact O-N 3.09Å; K288-S290 VanDerWaalsContact C-N 3.32Å; S290-L293 PolarHBondContact O-N 3.44Å; S290-L294 VanDerWaalsContact O-CB 3.3Å; S290-L294 WeakPolarHBondContact O-CB 3.44Å; S290-L294 PolarHBondContact O-N 2.96Å; S290-L341 WeakPolarHBondContact O-CD1 3.43Å; S290-L341 WeakPolarHBondContact OG-CD1 3.42Å
291S89.6Confident85Confident57 Ų5755.3 Ų55.340%0.39930%0.296SS..Hα-helixtrans-61-46.6176.8-61.80000112.7Q287 L293 L294 E295Q287-S291 PolarHBondContact O-N 3.2Å; Q287-S291 PolarHBondContact O-OG 2.9Å; S291-L293 VanDerWaalsContact C-N 3.35Å; S291-L293 PolarHBondContact O-N 3.38Å; S291-L294 PolarHBondContact O-N 3.39Å; S291-E295 WeakPolarHBondContact O-CG 3.36Å; S291-E295 PolarHBondContact O-N 2.87Å
292M90.8Very high84Confident61 Ų6157.8 Ų57.830%0.330%0.303SS..Hα-helixtrans-63-39.5177.7-68.9-174.6-55.600112.4L277 K288 L289 L296L277-M292 HydrophobicContact CD1-CE 3.79Å; L277-M292 HydrophobicContact CD2-CE 3.86Å; L277-M292 HydrophobicContact CD2-SD 4.18Å; L277-M292 HydrophobicContact CG-CE 4.49Å; K288-M292 HydrophobicContact CG-CE 4.47Å; K288-M292 WeakPolarHBondContact O-CG 3.46Å; K288-M292 PolarHBondContact O-N 3.02Å; L289-M292 HydrophobicContact CD2-CE 3.89Å; M292-L296 WeakPolarHBondContact O-CB 3.49Å; M292-L296 VanDerWaalsContact O-CG 3.23Å; M292-L296 WeakPolarHBondContact O-CG 3.2Å; M292-L296 PolarHBondContact O-N 3.16Å
293L88.7Confident82.7Confident34 Ų3459.6 Ų59.618%0.17831%0.308CS..Hα-helixtrans-65-41.2174.8177.962.7000111.4L289 S290 S291 M297 V338 L341 L342L289-L293 VanDerWaalsContact O-CB 3.26Å; L289-L293 WeakPolarHBondContact O-CB 3.15Å; L289-L293 PolarHBondContact O-N 2.74Å; S290-L293 PolarHBondContact O-N 3.44Å; S291-L293 VanDerWaalsContact C-N 3.35Å; S291-L293 PolarHBondContact O-N 3.38Å; L293-M297 HydrophobicContact CD1-CE 4.46Å; L293-M297 HydrophobicContact CD1-CG 4.17Å; L293-M297 HydrophobicContact CG-CE 4.13Å; L293-M297 WeakPolarHBondContact O-CB 3.44Å; L293-M297 WeakPolarHBondContact O-CG 3.42Å; L293-M297 PolarHBondContact O-N 3.48Å; L293-M297 VanDerWaalsContact O-N 3.16Å; L293-V338 HydrophobicContact CD2-CG1 4.38Å; L293-L341 HydrophobicContact CB-CD1 4.44Å; L293-L341 HydrophobicContact CD2-CB 4.19Å; L293-L341 HydrophobicContact CD2-CD1 4.3Å; L293-L341 HydrophobicContact CG-CD1 4.47Å; L293-L342 HydrophobicContact CD2-CD2 4Å; L293-L342 HydrophobicContact CD2-CG 4.21Å
294L86.4Confident81.4Confident16 Ų1657.9 Ų57.98%0.08432%0.321CS..Hα-helixtrans-67-38.6178.4-178.660.5000112.3S82 R83 S290 S291 L341S82-L294 WeakPolarHBondContact O-CD2 3.34Å; R83-L294 HydrophobicContact CG-CD1 3.58Å; R83-L294 HydrophobicContact CG-CG 4.29Å; R83-L294 PolarHBondContact NE-O 3.41Å; R83-L294 PolarHBondContact NH2-O 3.25Å; S290-L294 VanDerWaalsContact O-CB 3.3Å; S290-L294 WeakPolarHBondContact O-CB 3.44Å; S290-L294 PolarHBondContact O-N 2.96Å; S291-L294 PolarHBondContact O-N 3.39Å; L294-L341 HydrophobicContact CB-CD1 3.97Å; L294-L341 HydrophobicContact CB-CD2 4.45Å; L294-L341 HydrophobicContact CD1-CD2 3.9Å
295E84.6Confident80.4Confident148 Ų14855.7 Ų55.769%0.69231%0.314SS*.Hα-helixtrans-66.5-49.4174.2-74.4174.2-179.400111.6S291 M297S291-E295 WeakPolarHBondContact O-CG 3.36Å; S291-E295 PolarHBondContact O-N 2.87Å; E295-M297 PolarHBondContact O-N 3.13Å
296L83.8Confident78.9Confident146 Ų14660.1 Ų60.176%0.76434%0.335SS*.Hα-helixtrans-77.9-14.8-171.1-67172.1000114.9M292M292-L296 WeakPolarHBondContact O-CB 3.49Å; M292-L296 VanDerWaalsContact O-CG 3.23Å; M292-L296 WeakPolarHBondContact O-CG 3.2Å; M292-L296 PolarHBondContact O-N 3.16Å
297M78.7Confident77.2Confident9 Ų964.3 Ų64.34%0.04436%0.361CS..SBendtrans-66.8150.5-178.1-94.8-154-85.700113.8F79 R83 L293 E295 F302F79-M297 HydrophobicContact CE2-CB 4.42Å; F79-M297 HydrophobicContact CE2-CE 3.83Å; F79-M297 HydrophobicContact CE2-SD 4.06Å; F79-M297 HydrophobicContact CZ-CB 4.29Å; R83-M297 PolarHBondContact NH1-O 3.39Å; R83-M297 VanDerWaalsContact NH2-C 3.31Å; R83-M297 PolarHBondContact NH2-O 3.46Å; L293-M297 HydrophobicContact CD1-CE 4.46Å; L293-M297 HydrophobicContact CD1-CG 4.17Å; L293-M297 HydrophobicContact CG-CE 4.13Å; L293-M297 WeakPolarHBondContact O-CB 3.44Å; L293-M297 WeakPolarHBondContact O-CG 3.42Å; L293-M297 PolarHBondContact O-N 3.48Å; L293-M297 VanDerWaalsContact O-N 3.16Å; E295-M297 PolarHBondContact O-N 3.13Å; M297-F302 HydrophobicContact CG-CE2 3.81Å; M297-F302 HydrophobicContact CG-CZ 4Å; M297-F302 HydrophobicContact SD-CD2 4.15Å; M297-F302 HydrophobicContact SD-CE2 3.62Å; M297-F302 HydrophobicContact SD-CZ 4.41Å
298P76.5Confident75Confident58 Ų5868 Ų6838%0.37738%0.378SS..  trans-72.5154.3174.229.8-35.5000112.5G300 G301 F302P298-G300 PolarHBondContact O-N 2.99Å; P298-G301 WeakPolarHBondContact CG-O 3.19Å; P298-G301 PolarHBondContact O-N 3.4Å; P298-F302 HydrophobicContact CG-CD1 4.33Å; P298-F302 HydrophobicContact CG-CE1 4.5Å
299T57.6Low73Confident57 Ų5770 Ų7035%0.3539%0.393SS..THydrogen-bonded Turntrans-73.314-166.369.30000116.4K49 F52K49-T299 WeakPolarHBondContact O-CB 3.26Å; K49-T299 PolarHBondContact O-OG1 2.9Å; F52-T299 HydrophobicContact CE1-CG2 3.48Å; F52-T299 VanDerWaalsContact CE1-CG2 3.48Å; F52-T299 HydrophobicContact CZ-CG2 3.48Å; F52-T299 VanDerWaalsContact CZ-CG2 3.48Å
300G57.3Low70.3Confident31 Ų3173.4 Ų73.432%0.3242%0.415SS..THydrogen-bonded Turntrans-151.331.6169.900000111.8P298 Q303P298-G300 PolarHBondContact O-N 2.99Å; G300-Q303 PolarHBondContact O-NE2 3.19Å
301G65.1Low68Low4 Ų481.9 Ų81.94%0.04145%0.453CS..  trans62.3-179.6-171.200000113.5P298 Q303P298-G301 WeakPolarHBondContact CG-O 3.19Å; P298-G301 PolarHBondContact O-N 3.4Å; G301-Q303 VanDerWaalsContact C-N 3.34Å; G301-Q303 PolarHBondContact O-N 3.04Å
302F71Confident65.7Low88 Ų8885.8 Ų85.839%0.38647%0.465SS..  trans-69.988.3174.9-61.5-77.3000110.3M297 P298 G304 L305M297-F302 HydrophobicContact CG-CE2 3.81Å; M297-F302 HydrophobicContact CG-CZ 4Å; M297-F302 HydrophobicContact SD-CD2 4.15Å; M297-F302 HydrophobicContact SD-CE2 3.62Å; M297-F302 HydrophobicContact SD-CZ 4.41Å; P298-F302 HydrophobicContact CG-CD1 4.33Å; P298-F302 HydrophobicContact CG-CE1 4.5Å; F302-G304 PolarHBondContact O-N 3Å; F302-L305 HydrophobicContact CB-CB 4.36Å; F302-L305 HydrophobicContact CB-CD1 3.74Å; F302-L305 HydrophobicContact CB-CG 3.83Å; F302-L305 HydrophobicContact CD2-CD1 4.42Å; F302-L305 HydrophobicContact CG-CD1 4.28Å; F302-L305 WeakPolarHBondContact O-CB 3.22Å; F302-L305 PolarHBondContact O-N 2.94Å
303Q63.1Low63.6Low93 Ų9392 Ų9244%0.43549%0.486SS..G310 helixtrans-57.3-34.7-177.4-85.8142.96600113G300 G301 L305 Q306G300-Q303 PolarHBondContact O-NE2 3.19Å; G301-Q303 VanDerWaalsContact C-N 3.34Å; G301-Q303 PolarHBondContact O-N 3.04Å; Q303-L305 PolarHBondContact O-N 2.86Å; Q303-Q306 WeakPolarHBondContact O-CB 3.42Å; Q303-Q306 PolarHBondContact O-N 3.19Å
304G64.7Low61.4Low80 Ų8097.9 Ų97.983%0.82552%0.517SS*.G310 helixtrans-67.61.2172.500000116F302F302-G304 PolarHBondContact O-N 3Å
305L69.5Low59.3Low65 Ų65107.3 Ų107.334%0.3455%0.552SS.*G310 helixtrans-102.20.7168.5-57.3-177.3000112.8F302 Q303 V307 P346 G347F302-L305 HydrophobicContact CB-CB 4.36Å; F302-L305 HydrophobicContact CB-CD1 3.74Å; F302-L305 HydrophobicContact CB-CG 3.83Å; F302-L305 HydrophobicContact CD2-CD1 4.42Å; F302-L305 HydrophobicContact CG-CD1 4.28Å; F302-L305 WeakPolarHBondContact O-CB 3.22Å; F302-L305 PolarHBondContact O-N 2.94Å; Q303-L305 PolarHBondContact O-N 2.86Å; L305-V307 PolarHBondContact O-N 3.44Å; L305-P346 HydrophobicContact CB-CB 4.24Å; L305-P346 VanDerWaalsContact CB-O 3.28Å; L305-P346 WeakPolarHBondContact CB-O 3.43Å; L305-P346 WeakPolarHBondContact CD1-O 3.28Å; L305-G347 PolarHBondContact O-N 2.78Å
306Q63.6Low57.4Low93 Ų93104 Ų10444%0.43555%0.55SS..  trans-80.993.8167.1-65.3177.159.600108.3Q303 E308 P346Q303-Q306 WeakPolarHBondContact O-CB 3.42Å; Q303-Q306 PolarHBondContact O-N 3.19Å; Q306-E308 PolarHBondContact O-N 2.84Å; Q306-P346 HydrophobicContact CG-CB 3.54Å; Q306-P346 HydrophobicContact CG-CG 4.06Å
307V58.8Low55.5Low98 Ų98104.1 Ų104.159%0.59455%0.546SS*.  trans-78.498167.2-177.90000107.3L305L305-V307 PolarHBondContact O-N 3.44Å
308E46.2Very low54Low153 Ų153109 Ų10972%0.71558%0.576SS**  trans-64.9156169.2-65.7-170.214100110.5Q306 T310Q306-E308 PolarHBondContact O-N 2.84Å; E308-T310 PolarHBondContact O-N 3.07Å
309N51.1Low52.6Low130 Ų130111.9 Ų111.970%0.69558%0.584SS**SBendtrans-73.380.1-166.3-74.5-63.9000113.6R313N309-R313 PolarHBondContact OD1-NH2 2.68Å
310T36.8Very low52Low108 Ų108118.6 Ų118.666%0.66361%0.611SS**SBendtrans-12778.6-179.3-400000111.9E308 E312E308-T310 PolarHBondContact O-N 3.07Å; T310-E312 PolarHBondContact O-N 3.01Å
311Q43.8Very low51.6Low190 Ų190119.5 Ų119.589%0.88862%0.621SS**SBendtrans49.94.4160.5-66.8-175.3-30.400120.8
312E42.3Very low51.2Low139 Ų139122.2 Ų122.265%0.6564%0.635SS**G310 helixtrans-91.65.2178.8-69.5-172.9156.300114.6T310 D314 R315 A316T310-E312 PolarHBondContact O-N 3.01Å; E312-D314 PolarHBondContact O-N 3.4Å; E312-D314 VanDerWaalsContact O-N 3.09Å; E312-R315 PolarHBondContact O-N 3.24Å; E312-A316 PolarHBondContact O-N 2.85Å
313R46.9Very low50.6Low193 Ų193124.1 Ų124.173%0.72865%0.653SS**G310 helixtrans-54.2-31.9178.9-69.1-172.6-179.2-173.81.7113.1N309N309-R313 PolarHBondContact OD1-NH2 2.68Å
314D41.4Very low51.2Low156 Ų156123.4 Ų123.483%0.83466%0.657SS**G310 helixtrans-105.47.7-178.8-47.5-58.5000113.1E312E312-D314 PolarHBondContact O-N 3.4Å; E312-D314 VanDerWaalsContact O-N 3.09Å
315R42.4Very low52.3Low214 Ų214121.2 Ų121.281%0.80863%0.629SS**THydrogen-bonded Turntrans-129.4-1.8-177.3-87.6-170.8169.9-168.9-3115.8E312 E317E312-R315 PolarHBondContact O-N 3.24Å; R315-E317 PolarHBondContact O-N 2.61Å
316A45.2Very low53.3Low79 Ų79122.5 Ų122.565%0.65364%0.635SS**SBendtrans-6781.7154.300000108.9E312 V318E312-A316 PolarHBondContact O-N 2.85Å; A316-V318 PolarHBondContact O-N 2.94Å
317E42.8Very low54.7Low148 Ų148118.3 Ų118.369%0.69262%0.616SS**  trans-49.9125.6167.8-70.3-174.3164.300108.5R315 H319R315-E317 PolarHBondContact O-N 2.61Å; E317-H319 PolarHBondContact O-N 3.36Å; E317-H319 IonicContact OE2-CE1 2.68Å; E317-H319 IonicContact OE2-ND1 3.24Å
318V48.8Very low56.4Low112 Ų112113.9 Ų113.968%0.67959%0.589SS**  trans-70.887.7174.3179.90000107.1A316 H320A316-V318 PolarHBondContact O-N 2.94Å; V318-H320 PolarHBondContact O-N 3.36Å
319H46.2Very low58.6Low118 Ų118109.8 Ų109.855%0.54657%0.569SS.*  trans-58.7112179.3-68.8-30.5000108.7E317 G321 D322E317-H319 PolarHBondContact O-N 3.36Å; E317-H319 IonicContact OE2-CE1 2.68Å; E317-H319 IonicContact OE2-ND1 3.24Å; H319-G321 PolarHBondContact O-N 2.97Å; H319-D322 PolarHBondContact O-N 3.5Å; H319-D322 VanDerWaalsContact O-N 3.11Å
320H45.3Very low60.7Low198 Ų198103.6 Ų103.692%0.91754%0.536SS*.THydrogen-bonded Turntrans-68.571.8179.5-74.5-73.3000110.7V318V318-H320 PolarHBondContact O-N 3.36Å
321G49.1Very low63.5Low50 Ų5098.5 Ų98.552%0.51550%0.504SS..THydrogen-bonded Turntrans169.3-4.9-165.600000114.5H319 V323H319-G321 PolarHBondContact O-N 2.97Å; G321-V323 PolarHBondContact O-N 3.21Å
322D55.5Low65.8Low62 Ų6295.1 Ų95.133%0.33248%0.483SS..  trans-45.6122.3179.6-963.8000113.3H319 T354H319-D322 PolarHBondContact O-N 3.5Å; H319-D322 VanDerWaalsContact O-N 3.11Å; D322-T354 HydrophobicContact CB-CG2 4.32Å; D322-T354 WeakPolarHBondContact OD2-CG2 3.23Å
323V59.9Low68.3Low128 Ų12890.8 Ų90.878%0.77646%0.461SS*.PPolyproline II helixtrans-66.3131.9179.2-178.60000108.5G321 S325G321-V323 PolarHBondContact O-N 3.21Å; V323-S325 PolarHBondContact O-N 3Å; V323-S325 VanDerWaalsContact O-N 3.09Å
324P75.6Confident70.5Confident78 Ų7882.6 Ų82.651%0.50644%0.437SS..PPolyproline II helixtrans-57.7119.7-177.623.2-34.4000111H328P324-H328 HydrophobicContact CB-CB 3.97Å
325S87.6Confident73.1Confident34 Ų3475.2 Ų75.224%0.23840%0.398CS..PPolyproline II helixtrans-65162.4179.677.20000111.6V323 L327 H328 F329V323-S325 PolarHBondContact O-N 3Å; V323-S325 VanDerWaalsContact O-N 3.09Å; S325-L327 PolarHBondContact O-N 3.12Å; S325-L327 PolarHBondContact OG-N 3.19Å; S325-H328 PolarHBondContact N-ND1 3.42Å; S325-H328 WeakPolarHBondContact O-CA 3.49Å; S325-H328 WeakPolarHBondContact O-CB 3.44Å; S325-H328 PolarHBondContact O-N 3.34Å; S325-H328 PolarHBondContact OG-ND1 3.39Å; S325-F329 PolarHBondContact O-N 3.16Å
326L90.9Very high75.5Confident91 Ų9170.7 Ų70.748%0.47638%0.38SS..Hα-helixtrans-57.9-24.2177.6-169.260.2000112.7F329 A330 L342L326-F329 HydrophobicContact CD1-CB 4.41Å; L326-F329 HydrophobicContact CD1-CD1 3.94Å; L326-F329 PolarHBondContact O-N 3.35Å; L326-A330 WeakPolarHBondContact O-CB 3.33Å; L326-A330 PolarHBondContact O-N 3.01Å; L326-L342 HydrophobicContact CB-CD1 4.16Å; L326-L342 HydrophobicContact CD2-CD1 4.19Å; L326-L342 HydrophobicContact CD2-CD2 4.15Å; L326-L342 HydrophobicContact CG-CD1 3.91Å
327L92.8Very high77.7Confident6 Ų668.7 Ų68.73%0.03136%0.362CS..Hα-helixtrans-72.9-32.6172.7-165.463000112.8S325 F329 A331 L342 L343 A351 L352 P362 L378S325-L327 PolarHBondContact O-N 3.12Å; S325-L327 PolarHBondContact OG-N 3.19Å; L327-F329 VanDerWaalsContact C-N 3.34Å; L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 3.23Å; L327-L342 HydrophobicContact CB-CD1 4.49Å; L327-L342 HydrophobicContact CD1-CB 4.12Å; L327-L342 HydrophobicContact CD1-CD1 4.29Å; L327-L343 HydrophobicContact CD2-CD2 4.34Å; L327-A351 HydrophobicContact CD2-CB 4.3Å; L327-L352 HydrophobicContact CD2-CD2 3.98Å; L327-L352 HydrophobicContact CD2-CG 4.05Å; L327-P362 HydrophobicContact CB-CG 4.32Å; L327-P362 HydrophobicContact CD2-CB 4.33Å; L327-P362 HydrophobicContact CD2-CG 4.16Å; L327-P362 HydrophobicContact CG-CB 4Å; L327-P362 HydrophobicContact CG-CG 4.1Å; L327-L378 HydrophobicContact CD1-CD2 3.92Å; L327-L378 HydrophobicContact CD2-CD2 4.11Å; L327-L378 HydrophobicContact CG-CD2 4.13Å
328H93.5Very high80.2Confident4 Ų462 Ų622%0.01933%0.331CS..Hα-helixtrans-66.6-37.4170.2-66.477000111.3P324 S325 R332 T354 N356 Q360 I365P324-H328 HydrophobicContact CB-CB 3.97Å; S325-H328 PolarHBondContact N-ND1 3.42Å; S325-H328 WeakPolarHBondContact O-CA 3.49Å; S325-H328 WeakPolarHBondContact O-CB 3.44Å; S325-H328 PolarHBondContact O-N 3.34Å; S325-H328 PolarHBondContact OG-ND1 3.39Å; H328-R332 WeakPolarHBondContact O-CB 3.46Å; H328-R332 PolarHBondContact O-N 3.29Å; H328-T354 PolarHBondContact CE1-O 2.9Å; H328-T354 VanDerWaalsContact CE1-O 3.25Å; H328-T354 PolarHBondContact NE2-O 3.4Å; H328-N356 PolarHBondContact NE2-N 3.18Å; H328-Q360 PolarHBondContact NE2-O 2.98Å; H328-I365 HydrophobicContact CB-CD1 3.96Å
329F92.9Very high82.4Confident68 Ų6856.7 Ų56.730%0.29830%0.298SS..Hα-helixtrans-66.5-49.8175.6-180-103000111.4M273 S325 L326 L327 A331 R332 Y333 F335M273-F329 HydrophobicContact CE-CE1 4.04Å; M273-F329 HydrophobicContact CE-CZ 3.53Å; M273-F329 HydrophobicContact SD-CE1 4.32Å; M273-F329 HydrophobicContact SD-CZ 4.02Å; S325-F329 PolarHBondContact O-N 3.16Å; L326-F329 HydrophobicContact CD1-CB 4.41Å; L326-F329 HydrophobicContact CD1-CD1 3.94Å; L326-F329 PolarHBondContact O-N 3.35Å; L327-F329 VanDerWaalsContact C-N 3.34Å; F329-A331 VanDerWaalsContact C-N 3.32Å; F329-A331 PolarHBondContact O-N 2.94Å; F329-R332 WeakPolarHBondContact O-CB 3.28Å; F329-R332 PolarHBondContact O-N 3.47Å; F329-R332 VanDerWaalsContact O-N 3.11Å; F329-Y333 AromaticContact CD2-CD2 3.97Å; F329-Y333 HydrophobicContact CD2-CD2 3.97Å; F329-Y333 AromaticContact CD2-CE2 3.79Å; F329-Y333 HydrophobicContact CD2-CE2 3.79Å; F329-Y333 AromaticContact CE2-CD2 3.88Å; F329-Y333 HydrophobicContact CE2-CD2 3.88Å; F329-Y333 AromaticContact CE2-CE2 3.57Å; F329-Y333 HydrophobicContact CE2-CE2 3.57Å; F329-Y333 HydrophobicContact CG-CD2 4.43Å; F329-Y333 HydrophobicContact CZ-CD2 4.27Å; F329-Y333 HydrophobicContact CZ-CE2 4.29Å; F329-Y333 WeakPolarHBondContact O-CD2 3.45Å; F329-Y333 PolarHBondContact O-N 2.76Å; F329-F335 HydrophobicContact CD1-CD2 4.44Å; F329-F335 HydrophobicContact CD1-CE2 4.26Å; F329-F335 HydrophobicContact CE1-CD2 4.34Å; F329-F335 AromaticContact CE1-CE2 3.76Å; F329-F335 HydrophobicContact CE1-CE2 3.76Å; F329-F335 HydrophobicContact CZ-CE2 4.41Å
330A95Very high84.5Confident0 Ų052 Ų520%028%0.282CS..Hα-helixtrans-58.8-42.6175.300000112.2L326 R332 Y333 G334 F335 V338 S339L326-A330 WeakPolarHBondContact O-CB 3.33Å; L326-A330 PolarHBondContact O-N 3.01Å; A330-R332 VanDerWaalsContact C-N 3.33Å; A330-R332 PolarHBondContact O-N 3.34Å; A330-Y333 PolarHBondContact O-N 3.25Å; A330-G334 PolarHBondContact O-N 3.26Å; A330-F335 HydrophobicContact CB-CB 4.02Å; A330-F335 PolarHBondContact O-N 3.29Å; A330-V338 HydrophobicContact CB-CG1 4.25Å; A330-S339 WeakPolarHBondContact CB-OG 3.42Å
331A95.1Very high86.6Confident0 Ų042.6 Ų42.60%024%0.239CC..Hα-helixtrans-64.4-29.8174.800000114.5L327 F329 P362 I365 A366 H371 L378L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 3.23Å; F329-A331 VanDerWaalsContact C-N 3.32Å; F329-A331 PolarHBondContact O-N 2.94Å; A331-P362 HydrophobicContact CB-CB 4.01Å; A331-P362 WeakPolarHBondContact CB-O 3.35Å; A331-I365 HydrophobicContact CB-CB 4.31Å; A331-I365 HydrophobicContact CB-CG2 4.13Å; A331-A366 HydrophobicContact CB-CB 4.15Å; A331-A366 WeakPolarHBondContact O-CA 3.31Å; A331-H371 PolarHBondContact O-CD2 2.86Å; A331-H371 VanDerWaalsContact O-CD2 3.29Å; A331-L378 HydrophobicContact CB-CD1 4.2Å
332R93.6Very high88.5Confident120 Ų12041.4 Ų41.445%0.45322%0.22SC..Hα-helixtrans-70.2-41.5177.4-176.2178.7178.5101.13.9111.9H328 F329 A330 I365 H371H328-R332 WeakPolarHBondContact O-CB 3.46Å; H328-R332 PolarHBondContact O-N 3.29Å; F329-R332 WeakPolarHBondContact O-CB 3.28Å; F329-R332 PolarHBondContact O-N 3.47Å; F329-R332 VanDerWaalsContact O-N 3.11Å; A330-R332 VanDerWaalsContact C-N 3.33Å; A330-R332 PolarHBondContact O-N 3.34Å; R332-I365 VanDerWaalsContact CA-CG2 3.48Å; R332-I365 HydrophobicContact CB-CG2 3.78Å; R332-I365 HydrophobicContact CG-CG2 4.48Å; R332-H371 PolarHBondContact O-NE2 2.88Å
333Y93.4Very high90.2Very high47 Ų4739 Ų3918%0.18421%0.207CC..Hα-helixtrans-102.3-1.9-171.5-65.8-70.5000114.5V270 F329 A330V270-Y333 HydrophobicContact CB-CD1 4.38Å; V270-Y333 HydrophobicContact CG2-CD1 3.22Å; V270-Y333 HydrophobicContact CG2-CD2 4.15Å; V270-Y333 HydrophobicContact CG2-CE1 3.61Å; V270-Y333 HydrophobicContact CG2-CG 3.5Å; V270-Y333 VanDerWaalsContact CG2-CG 3.5Å; F329-Y333 AromaticContact CD2-CD2 3.97Å; F329-Y333 HydrophobicContact CD2-CD2 3.97Å; F329-Y333 AromaticContact CD2-CE2 3.79Å; F329-Y333 HydrophobicContact CD2-CE2 3.79Å; F329-Y333 AromaticContact CE2-CD2 3.88Å; F329-Y333 HydrophobicContact CE2-CD2 3.88Å; F329-Y333 AromaticContact CE2-CE2 3.57Å; F329-Y333 HydrophobicContact CE2-CE2 3.57Å; F329-Y333 HydrophobicContact CG-CD2 4.43Å; F329-Y333 HydrophobicContact CZ-CD2 4.27Å; F329-Y333 HydrophobicContact CZ-CE2 4.29Å; F329-Y333 WeakPolarHBondContact O-CD2 3.45Å; F329-Y333 PolarHBondContact O-N 2.76Å; A330-Y333 PolarHBondContact O-N 3.25Å
334G93.6Very high91.3Very high21 Ų2134 Ų3422%0.21618%0.175CC..THydrogen-bonded Turntrans85.514.5173.800000114.6A330 R336 H371A330-G334 PolarHBondContact O-N 3.26Å; G334-R336 PolarHBondContact O-N 3.25Å; G334-H371 PolarHBondContact N-NE2 2.87Å
335F95.2Very high91.7Very high2 Ų230.6 Ų30.61%0.00915%0.154CC..  trans-68.291.1-177.4-61.2-32.7000111.2V270 M273 V282 L285 D286 L289 F329 A330 V338 S339V270-F335 HydrophobicContact CG2-CZ 3.91Å; M273-F335 HydrophobicContact CE-CE2 4.13Å; M273-F335 HydrophobicContact CE-CZ 3.97Å; V282-F335 HydrophobicContact CG1-CD1 4.06Å; V282-F335 HydrophobicContact CG1-CE1 3.68Å; L285-F335 HydrophobicContact CD2-CE1 3.98Å; L285-F335 HydrophobicContact CD2-CZ 3.72Å; L285-F335 HydrophobicContact CG-CE1 4.28Å; L285-F335 HydrophobicContact CG-CZ 4.28Å; D286-F335 HydrophobicContact CB-CB 4.32Å; D286-F335 HydrophobicContact CB-CD1 3.84Å; D286-F335 HydrophobicContact CB-CG 4.42Å; D286-F335 VanDerWaalsContact CG-CA 3.49Å; D286-F335 VanDerWaalsContact OD1-C 3.32Å; D286-F335 WeakPolarHBondContact OD1-CA 3.39Å; D286-F335 WeakPolarHBondContact OD1-CB 3.48Å; L289-F335 HydrophobicContact CD1-CD2 4.31Å; L289-F335 HydrophobicContact CD1-CE2 3.93Å; L289-F335 HydrophobicContact CD1-CZ 4.09Å; F329-F335 HydrophobicContact CD1-CD2 4.44Å; F329-F335 HydrophobicContact CD1-CE2 4.26Å; F329-F335 HydrophobicContact CE1-CD2 4.34Å; F329-F335 AromaticContact CE1-CE2 3.76Å; F329-F335 HydrophobicContact CE1-CE2 3.76Å; F329-F335 HydrophobicContact CZ-CE2 4.41Å; A330-F335 HydrophobicContact CB-CB 4.02Å; A330-F335 PolarHBondContact O-N 3.29Å; F335-V338 HydrophobicContact CB-CB 4.08Å; F335-V338 HydrophobicContact CB-CG2 4.44Å; F335-S339 VanDerWaalsContact O-CB 3.22Å; F335-S339 WeakPolarHBondContact O-CB 3.46Å; F335-S339 PolarHBondContact O-N 3.3Å; F335-S339 VanDerWaalsContact O-N 3.07Å; F335-S339 PolarHBondContact O-OG 2.63Å
336R93.9Very high91.3Very high119 Ų11929.8 Ų29.845%0.44915%0.148SC..Hα-helixtrans-74.2-43.2-173.8-179.1175.4169.6172.9-7.6111.4D286 G334 S339 G340 E373 I377D286-R336 PolarHBondContact OD1-N 2.93Å; D286-R336 PolarHBondContact OD2-N 2.92Å; G334-R336 PolarHBondContact O-N 3.25Å; R336-S339 PolarHBondContact O-N 2.78Å; R336-G340 PolarHBondContact O-N 3.1Å; R336-E373 IonicContact CZ-OE2 3.93Å; R336-E373 IonicContact NH1-OE2 2.69Å; R336-E373 PolarHBondContact NH1-OE2 3.22Å; R336-I377 HydrophobicContact CG-CD1 4.16Å
337S91.9Very high90.8Very high37 Ų3726.6 Ų26.626%0.25914%0.137SC..Hα-helixtrans-67.3-48.9179-54.90000111.6D286 S339 G340 L341D286-S337 WeakPolarHBondContact OD1-CB 3.25Å; D286-S337 PolarHBondContact OD1-N 2.71Å; D286-S337 VanDerWaalsContact OD1-N 3.17Å; D286-S337 WeakPolarHBondContact OD2-CB 3.46Å; D286-S337 PolarHBondContact OD2-N 3.38Å; D286-S337 PolarHBondContact OD2-OG 3.42Å; S337-S339 VanDerWaalsContact C-N 3.32Å; S337-S339 PolarHBondContact O-N 2.83Å; S337-G340 PolarHBondContact O-N 2.95Å; S337-G340 VanDerWaalsContact O-N 3.13Å; S337-L341 PolarHBondContact O-N 3.44Å
338V94.3Very high90.5Very high7 Ų726.5 Ų26.54%0.04214%0.137CC..Hα-helixtrans-59.3-43.2173.8173.10000110.8D286 L289 L293 A330 F335 G340 L341 L342D286-V338 WeakPolarHBondContact OD1-CG2 3.22Å; D286-V338 PolarHBondContact OD1-N 2.81Å; L289-V338 HydrophobicContact CB-CG2 3.58Å; L293-V338 HydrophobicContact CD2-CG1 4.38Å; A330-V338 HydrophobicContact CB-CG1 4.25Å; F335-V338 HydrophobicContact CB-CB 4.08Å; F335-V338 HydrophobicContact CB-CG2 4.44Å; V338-G340 VanDerWaalsContact C-N 3.35Å; V338-G340 PolarHBondContact O-N 3.4Å; V338-L341 PolarHBondContact O-N 3.14Å; V338-L342 HydrophobicContact CG1-CD1 3.79Å; V338-L342 HydrophobicContact CG1-CG 4.3Å; V338-L342 WeakPolarHBondContact O-CB 3.27Å; V338-L342 VanDerWaalsContact O-CG 3.27Å; V338-L342 WeakPolarHBondContact O-CG 3.08Å; V338-L342 PolarHBondContact O-N 3.13Å
339S94.1Very high90.1Very high0 Ų029.4 Ų29.40%015%0.15CC..Hα-helixtrans-61.3-42.8174.9-63.10000112A330 F335 R336 S337 L341 L342 L343A330-S339 WeakPolarHBondContact CB-OG 3.42Å; F335-S339 VanDerWaalsContact O-CB 3.22Å; F335-S339 WeakPolarHBondContact O-CB 3.46Å; F335-S339 PolarHBondContact O-N 3.3Å; F335-S339 VanDerWaalsContact O-N 3.07Å; F335-S339 PolarHBondContact O-OG 2.63Å; R336-S339 PolarHBondContact O-N 2.78Å; S337-S339 VanDerWaalsContact C-N 3.32Å; S337-S339 PolarHBondContact O-N 2.83Å; S339-L341 PolarHBondContact O-N 3.2Å; S339-L342 PolarHBondContact O-N 2.95Å; S339-L343 WeakPolarHBondContact O-CB 3.49Å; S339-L343 VanDerWaalsContact O-CD1 3.31Å; S339-L343 WeakPolarHBondContact O-CD1 3.31Å; S339-L343 WeakPolarHBondContact O-CG 3.4Å; S339-L343 PolarHBondContact O-N 3.46Å
340G91.1Very high89.7Confident20 Ų2032.9 Ų32.921%0.20616%0.162CC..Hα-helixtrans-57-44.4176.500000113.2R336 S337 V338 Q344R336-G340 PolarHBondContact O-N 3.1Å; S337-G340 PolarHBondContact O-N 2.95Å; S337-G340 VanDerWaalsContact O-N 3.13Å; V338-G340 VanDerWaalsContact C-N 3.35Å; V338-G340 PolarHBondContact O-N 3.4Å; G340-Q344 PolarHBondContact O-NE2 3.14Å
341L89.2Confident89.4Confident0 Ų034.1 Ų34.10%017%0.171CC..Hα-helixtrans-65.6-45.1173.1-76.9175.5000112.7P109 S290 L293 L294 S337 V338 S339 L343 Q344 C345P109-L341 HydrophobicContact CG-CD2 3.51Å; P109-L341 HydrophobicContact CG-CG 3.92Å; S290-L341 WeakPolarHBondContact O-CD1 3.43Å; S290-L341 WeakPolarHBondContact OG-CD1 3.42Å; L293-L341 HydrophobicContact CB-CD1 4.44Å; L293-L341 HydrophobicContact CD2-CB 4.19Å; L293-L341 HydrophobicContact CD2-CD1 4.3Å; L293-L341 HydrophobicContact CG-CD1 4.47Å; L294-L341 HydrophobicContact CB-CD1 3.97Å; L294-L341 HydrophobicContact CB-CD2 4.45Å; L294-L341 HydrophobicContact CD1-CD2 3.9Å; S337-L341 PolarHBondContact O-N 3.44Å; V338-L341 PolarHBondContact O-N 3.14Å; S339-L341 PolarHBondContact O-N 3.2Å; L341-L343 PolarHBondContact O-N 3.45Å; L341-Q344 WeakPolarHBondContact O-CA 3.44Å; L341-Q344 WeakPolarHBondContact O-CB 3.19Å; L341-Q344 PolarHBondContact O-N 3.19Å; L341-C345 PolarHBondContact O-N 3.3Å
342L90.1Very high89.1Confident25 Ų2534.2 Ų34.213%0.13117%0.172CC..Hα-helixtrans-64.1-29.1-179.9-70.1172.8000112.7L293 L326 L327 V338 S339 Q344 C345L293-L342 HydrophobicContact CD2-CD2 4Å; L293-L342 HydrophobicContact CD2-CG 4.21Å; L326-L342 HydrophobicContact CB-CD1 4.16Å; L326-L342 HydrophobicContact CD2-CD1 4.19Å; L326-L342 HydrophobicContact CD2-CD2 4.15Å; L326-L342 HydrophobicContact CG-CD1 3.91Å; L327-L342 HydrophobicContact CB-CD1 4.49Å; L327-L342 HydrophobicContact CD1-CB 4.12Å; L327-L342 HydrophobicContact CD1-CD1 4.29Å; V338-L342 HydrophobicContact CG1-CD1 3.79Å; V338-L342 HydrophobicContact CG1-CG 4.3Å; V338-L342 WeakPolarHBondContact O-CB 3.27Å; V338-L342 VanDerWaalsContact O-CG 3.27Å; V338-L342 WeakPolarHBondContact O-CG 3.08Å; V338-L342 PolarHBondContact O-N 3.13Å; S339-L342 PolarHBondContact O-N 2.95Å; L342-Q344 PolarHBondContact O-N 3.19Å; L342-C345 WeakPolarHBondContact O-CB 3.28Å; L342-C345 PolarHBondContact O-N 3.38Å
343L89.9Confident88.8Confident12 Ų1233.9 Ų33.96%0.06317%0.171CC..THydrogen-bonded Turntrans-73.6-13.6173.8-67.7161.8000113.1L327 S339 L341 L352 I377 L378 K381L327-L343 HydrophobicContact CD2-CD2 4.34Å; S339-L343 WeakPolarHBondContact O-CB 3.49Å; S339-L343 VanDerWaalsContact O-CD1 3.31Å; S339-L343 WeakPolarHBondContact O-CD1 3.31Å; S339-L343 WeakPolarHBondContact O-CG 3.4Å; S339-L343 PolarHBondContact O-N 3.46Å; L341-L343 PolarHBondContact O-N 3.45Å; L343-L352 HydrophobicContact CD2-CD1 3.72Å; L343-L352 HydrophobicContact CD2-CD2 4.03Å; L343-L352 HydrophobicContact CD2-CG 3.99Å; L343-I377 HydrophobicContact CD1-CG2 3.96Å; L343-L378 HydrophobicContact CD1-CD2 4.12Å; L343-L378 HydrophobicContact CD2-CD2 4.22Å; L343-K381 HydrophobicContact CD1-CG 4.14Å; L343-K381 HydrophobicContact CD2-CB 4.13Å; L343-K381 HydrophobicContact CD2-CG 4.34Å
344Q84.4Confident88.5Confident22 Ų2233.2 Ų33.210%0.10317%0.172CC..THydrogen-bonded Turntrans-92.7-10170.5-63.6166.626.300112.5Q75 Q107 G340 L341 L342Q75-Q344 WeakPolarHBondContact CG-O 3.19Å; Q75-Q344 PolarHBondContact NE2-O 3.45Å; Q107-Q344 PolarHBondContact O-NE2 3.17Å; Q107-Q344 VanDerWaalsContact O-NE2 3.08Å; G340-Q344 PolarHBondContact O-NE2 3.14Å; L341-Q344 WeakPolarHBondContact O-CA 3.44Å; L341-Q344 WeakPolarHBondContact O-CB 3.19Å; L341-Q344 PolarHBondContact O-N 3.19Å; L342-Q344 PolarHBondContact O-N 3.19Å
345C83.1Confident88.2Confident8 Ų833.9 Ų33.95%0.05418%0.175CC..SBendtrans-72.3145.9175.3-67.70000112.1Q75 L341 L342 A348Q75-C345 PolarHBondContact NE2-O 3.36Å; Q75-C345 VanDerWaalsContact NE2-O 3.08Å; L341-C345 PolarHBondContact O-N 3.3Å; L342-C345 WeakPolarHBondContact O-CB 3.28Å; L342-C345 PolarHBondContact O-N 3.38Å; C345-A348 VanDerWaalsContact O-CB 3.28Å; C345-A348 WeakPolarHBondContact O-CB 3.38Å; C345-A348 PolarHBondContact O-N 3.19Å
346P79.4Confident87.7Confident16 Ų1634.8 Ų34.810%0.10418%0.18CC..THydrogen-bonded Turntrans-55.7144.2163-21.632.9000111.2L305 Q306 A348L305-P346 HydrophobicContact CB-CB 4.24Å; L305-P346 VanDerWaalsContact CB-O 3.28Å; L305-P346 WeakPolarHBondContact CB-O 3.43Å; L305-P346 WeakPolarHBondContact CD1-O 3.28Å; Q306-P346 HydrophobicContact CG-CB 3.54Å; Q306-P346 HydrophobicContact CG-CG 4.06Å; P346-A348 VanDerWaalsContact C-N 3.31Å
347G79.9Confident87.2Confident24 Ų2437.6 Ų37.625%0.24719%0.191CC..THydrogen-bonded Turntrans80.11.5-174.700000115.5L305 E349 R350 A351L305-G347 PolarHBondContact O-N 2.78Å; G347-E349 VanDerWaalsContact C-N 3.29Å; G347-E349 PolarHBondContact O-N 3.22Å; G347-R350 PolarHBondContact O-N 3.34Å; G347-R350 VanDerWaalsContact O-N 3.08Å; G347-A351 PolarHBondContact O-N 3.26Å
348A86.9Confident86.9Confident4 Ų442.7 Ų42.73%0.03321%0.21CC..Hα-helixtrans-53.7-41.6175.300000113.3C345 P346 R350 A351 L352 F385C345-A348 VanDerWaalsContact O-CB 3.28Å; C345-A348 WeakPolarHBondContact O-CB 3.38Å; C345-A348 PolarHBondContact O-N 3.19Å; P346-A348 VanDerWaalsContact C-N 3.31Å; A348-R350 VanDerWaalsContact C-N 3.34Å; A348-R350 PolarHBondContact O-N 3.48Å; A348-A351 PolarHBondContact O-N 3.39Å; A348-L352 WeakPolarHBondContact O-CB 3.35Å; A348-L352 WeakPolarHBondContact O-CG 3.35Å; A348-L352 PolarHBondContact O-N 3.36Å; A348-F385 HydrophobicContact CB-CE2 4.32Å; A348-F385 HydrophobicContact CB-CZ 4.15Å
349E85.6Confident86.5Confident65 Ų6545.2 Ų45.230%0.30424%0.238SC..Hα-helixtrans-57.8-43.3175.4-177-177.3172.500112.4G347 R353 F385G347-E349 VanDerWaalsContact C-N 3.29Å; G347-E349 PolarHBondContact O-N 3.22Å; E349-R353 PolarHBondContact O-N 3.29Å; E349-R353 IonicContact OE1-CZ 3.17Å; E349-R353 IonicContact OE1-NH1 2.69Å; E349-R353 PolarHBondContact OE1-NH1 2.89Å; E349-R353 IonicContact OE1-NH2 2.78Å; E349-R353 PolarHBondContact OE1-NH2 2.93Å; E349-F385 HydrophobicContact CB-CB 4.26Å; E349-F385 HydrophobicContact CB-CD1 4.13Å; E349-F385 HydrophobicContact CB-CD2 3.94Å; E349-F385 HydrophobicContact CB-CE1 4.49Å; E349-F385 HydrophobicContact CB-CE2 4.32Å; E349-F385 HydrophobicContact CB-CG 3.86Å; E349-F385 HydrophobicContact CG-CB 3.78Å; E349-F385 HydrophobicContact CG-CD2 4.28Å; E349-F385 HydrophobicContact CG-CG 3.97Å
350R83.9Confident86.2Confident142 Ų14247.9 Ų47.954%0.53625%0.25SS..Hα-helixtrans-65.7-48.3174.6-175.3172.869175.20.6110.4G347 A348 L352 R353 T354G347-R350 PolarHBondContact O-N 3.34Å; G347-R350 VanDerWaalsContact O-N 3.08Å; A348-R350 VanDerWaalsContact C-N 3.34Å; A348-R350 PolarHBondContact O-N 3.48Å; R350-L352 PolarHBondContact O-N 2.99Å; R350-R353 PolarHBondContact O-N 2.84Å; R350-T354 PolarHBondContact O-N 3.03Å; R350-T354 PolarHBondContact O-OG1 2.97Å
351A88.1Confident86.3Confident25 Ų2548.5 Ų48.521%0.20725%0.25CC..Hα-helixtrans-62.3-24.8-179.200000114.2L327 G347 A348 P362L327-A351 HydrophobicContact CD2-CB 4.3Å; G347-A351 PolarHBondContact O-N 3.26Å; A348-A351 PolarHBondContact O-N 3.39Å; A351-P362 WeakPolarHBondContact O-CG 3.48Å
352L89.7Confident86.5Confident3 Ų348.5 Ų48.52%0.01625%0.25CC..Hα-helixtrans-76.4-29.9171.5-80.6166.1000113.6L327 L343 A348 R350 L378 K381 L382 F385L327-L352 HydrophobicContact CD2-CD2 3.98Å; L327-L352 HydrophobicContact CD2-CG 4.05Å; L343-L352 HydrophobicContact CD2-CD1 3.72Å; L343-L352 HydrophobicContact CD2-CD2 4.03Å; L343-L352 HydrophobicContact CD2-CG 3.99Å; A348-L352 WeakPolarHBondContact O-CB 3.35Å; A348-L352 WeakPolarHBondContact O-CG 3.35Å; A348-L352 PolarHBondContact O-N 3.36Å; R350-L352 PolarHBondContact O-N 2.99Å; L352-L378 HydrophobicContact CD2-CB 4.03Å; L352-L378 HydrophobicContact CD2-CD2 3.66Å; L352-L378 HydrophobicContact CD2-CG 4.45Å; L352-K381 HydrophobicContact CD1-CB 4.34Å; L352-L382 HydrophobicContact CB-CD1 4.17Å; L352-L382 HydrophobicContact CD1-CB 4.17Å; L352-F385 HydrophobicContact CD1-CD2 3.97Å; L352-F385 HydrophobicContact CD1-CE2 3.86Å
353R87.3Confident86.8Confident112 Ų11247.5 Ų47.542%0.42325%0.246SC..Hα-helixtrans-91.7-30.1-179.9-68.7-173.2-172.6127.114113.6E349 R350 A355 L382 L386E349-R353 PolarHBondContact O-N 3.29Å; E349-R353 IonicContact OE1-CZ 3.17Å; E349-R353 IonicContact OE1-NH1 2.69Å; E349-R353 PolarHBondContact OE1-NH1 2.89Å; E349-R353 IonicContact OE1-NH2 2.78Å; E349-R353 PolarHBondContact OE1-NH2 2.93Å; R350-R353 PolarHBondContact O-N 2.84Å; R353-A355 PolarHBondContact O-N 3.48Å; R353-L382 HydrophobicContact CG-CD1 3.88Å; R353-L386 VanDerWaalsContact NH2-CD2 3.34Å
354T86.2Confident86.9Confident34 Ų3450.2 Ų50.221%0.20926%0.26CS..  trans-55.2129172.8-63.20000109.5D322 H328 R350D322-T354 HydrophobicContact CB-CG2 4.32Å; D322-T354 WeakPolarHBondContact OD2-CG2 3.23Å; H328-T354 PolarHBondContact CE1-O 2.9Å; H328-T354 VanDerWaalsContact CE1-O 3.25Å; H328-T354 PolarHBondContact NE2-O 3.4Å; R350-T354 PolarHBondContact O-N 3.03Å; R350-T354 PolarHBondContact O-OG1 2.97Å
355A87.9Confident87.4Confident35 Ų3549.6 Ų49.629%0.28926%0.257SS..  trans-99.1147.8170.400000110R353 Q360R353-A355 PolarHBondContact O-N 3.48Å; A355-Q360 WeakPolarHBondContact CA-O 3.49Å
356N85.7Confident88Confident20 Ų2049.2 Ų49.211%0.10726%0.255CS..  trans-70.2175.6172.2717.4000112H328 H358 G359 Q360H328-N356 PolarHBondContact NE2-N 3.18Å; N356-H358 PolarHBondContact O-N 3.08Å; N356-H358 VanDerWaalsContact OD1-CA 3.31Å; N356-H358 WeakPolarHBondContact OD1-CA 3.43Å; N356-H358 WeakPolarHBondContact OD1-CB 3.39Å; N356-H358 PolarHBondContact OD1-N 3.14Å; N356-G359 PolarHBondContact O-N 2.97Å; N356-G359 PolarHBondContact OD1-N 3.28Å; N356-Q360 PolarHBondContact N-O 3.35Å; N356-Q360 PolarHBondContact ND2-OE1 3.34Å; N356-Q360 PolarHBondContact OD1-N 2.7Å; N356-Q360 PolarHBondContact OD1-O 3.08Å
357R83.6Confident88.8Confident178 Ų17855.2 Ų55.267%0.67228%0.279SS*.THydrogen-bonded Turntrans-50.9-10.3171.174.2179.7-172.9-171.31116.9
358H83.7Confident89.5Confident144 Ų14457.5 Ų57.567%0.66729%0.291SS*.THydrogen-bonded Turntrans-108.39.2178-54.9-63.2000112.5N356 Q360N356-H358 PolarHBondContact O-N 3.08Å; N356-H358 VanDerWaalsContact OD1-CA 3.31Å; N356-H358 WeakPolarHBondContact OD1-CA 3.43Å; N356-H358 WeakPolarHBondContact OD1-CB 3.39Å; N356-H358 PolarHBondContact OD1-N 3.14Å; H358-Q360 VanDerWaalsContact C-N 3.32Å; H358-Q360 HydrophobicContact CB-CG 4.18Å; H358-Q360 PolarHBondContact O-N 2.82Å
359G86.1Confident89.8Confident61 Ų6160.8 Ų60.863%0.62931%0.306SS*.SBendtrans75.313.6-178.600000114.9N356N356-G359 PolarHBondContact O-N 2.97Å; N356-G359 PolarHBondContact OD1-N 3.28Å
360Q89.3Confident90.1Very high56 Ų5660 Ų6026%0.26232%0.316SS..  trans-100.5128.1-176.2-49.5176.8-73.100111.4H328 A355 N356 H358 D364 I365H328-Q360 PolarHBondContact NE2-O 2.98Å; A355-Q360 WeakPolarHBondContact CA-O 3.49Å; N356-Q360 PolarHBondContact N-O 3.35Å; N356-Q360 PolarHBondContact ND2-OE1 3.34Å; N356-Q360 PolarHBondContact OD1-N 2.7Å; N356-Q360 PolarHBondContact OD1-O 3.08Å; H358-Q360 VanDerWaalsContact C-N 3.32Å; H358-Q360 HydrophobicContact CB-CG 4.18Å; H358-Q360 PolarHBondContact O-N 2.82Å; Q360-D364 HydrophobicContact CB-CB 4.32Å; Q360-I365 HydrophobicContact CB-CD1 4.38Å; Q360-I365 HydrophobicContact CB-CG1 3.83Å
361T92.3Very high90.7Very high32 Ų3256 Ų5620%0.19630%0.303CS..  trans-7516716872.30000110.9A363 D364 I365T361-A363 PolarHBondContact O-N 2.74Å; T361-A363 PolarHBondContact OG1-N 2.82Å; T361-D364 WeakPolarHBondContact CB-OD2 3.26Å; T361-D364 PolarHBondContact N-OD2 2.86Å; T361-D364 PolarHBondContact O-N 3.04Å; T361-D364 VanDerWaalsContact O-N 3.1Å; T361-D364 PolarHBondContact OG1-N 3.17Å; T361-D364 PolarHBondContact OG1-OD2 3.02Å; T361-I365 WeakPolarHBondContact O-CG1 3.33Å; T361-I365 PolarHBondContact O-N 2.71Å
362P94.4Very high90.9Very high0 Ų062.9 Ų62.90%033%0.328CS..Hα-helixtrans-55.5-36.1170.9-25.734.9000113L327 A331 A351 D364 I365 A366 L378L327-P362 HydrophobicContact CB-CG 4.32Å; L327-P362 HydrophobicContact CD2-CB 4.33Å; L327-P362 HydrophobicContact CD2-CG 4.16Å; L327-P362 HydrophobicContact CG-CB 4Å; L327-P362 HydrophobicContact CG-CG 4.1Å; A331-P362 HydrophobicContact CB-CB 4.01Å; A331-P362 WeakPolarHBondContact CB-O 3.35Å; A351-P362 WeakPolarHBondContact O-CG 3.48Å; P362-D364 PolarHBondContact O-N 3.07Å; P362-I365 PolarHBondContact O-N 2.62Å; P362-A366 PolarHBondContact O-N 2.86Å; P362-L378 HydrophobicContact CB-CD1 4.28Å
363A94.6Very high90.9Very high5 Ų568.5 Ų68.54%0.04135%0.354CS..Hα-helixtrans-64.9-40.3177.500000111.6T361 A366 K367 H375 L378 K379T361-A363 PolarHBondContact O-N 2.74Å; T361-A363 PolarHBondContact OG1-N 2.82Å; A363-A366 PolarHBondContact O-N 3.09Å; A363-K367 PolarHBondContact O-N 2.85Å; A363-K367 VanDerWaalsContact O-N 3.08Å; A363-H375 PolarHBondContact O-CE1 3.29Å; A363-H375 PolarHBondContact O-ND1 2.96Å; A363-L378 HydrophobicContact CB-CB 4.19Å; A363-K379 HydrophobicContact CB-CG 4.35Å
364D93.6Very high91.2Very high69 Ų6963.5 Ų63.537%0.36934%0.336SS..Hα-helixtrans-70-37.1178.6-57-54.9000112Q360 T361 P362 K367 S368Q360-D364 HydrophobicContact CB-CB 4.32Å; T361-D364 WeakPolarHBondContact CB-OD2 3.26Å; T361-D364 PolarHBondContact N-OD2 2.86Å; T361-D364 PolarHBondContact O-N 3.04Å; T361-D364 VanDerWaalsContact O-N 3.1Å; T361-D364 PolarHBondContact OG1-N 3.17Å; T361-D364 PolarHBondContact OG1-OD2 3.02Å; P362-D364 PolarHBondContact O-N 3.07Å; D364-K367 PolarHBondContact O-N 3.27Å; D364-S368 WeakPolarHBondContact O-CB 3.42Å; D364-S368 PolarHBondContact O-N 2.84Å
365I94.1Very high91.7Very high8 Ų863 Ų634%0.04133%0.331CS..Hα-helixtrans-62.6-47.4173.2-68.2178.6000110.8H328 A331 R332 Q360 T361 P362 K367 S368 H369H328-I365 HydrophobicContact CB-CD1 3.96Å; A331-I365 HydrophobicContact CB-CB 4.31Å; A331-I365 HydrophobicContact CB-CG2 4.13Å; R332-I365 VanDerWaalsContact CA-CG2 3.48Å; R332-I365 HydrophobicContact CB-CG2 3.78Å; R332-I365 HydrophobicContact CG-CG2 4.48Å; Q360-I365 HydrophobicContact CB-CD1 4.38Å; Q360-I365 HydrophobicContact CB-CG1 3.83Å; T361-I365 WeakPolarHBondContact O-CG1 3.33Å; T361-I365 PolarHBondContact O-N 2.71Å; P362-I365 PolarHBondContact O-N 2.62Å; I365-K367 VanDerWaalsContact C-N 3.26Å; I365-K367 PolarHBondContact O-N 2.88Å; I365-S368 PolarHBondContact O-N 3.31Å; I365-S368 PolarHBondContact O-OG 2.78Å; I365-H369 PolarHBondContact O-N 3.4Å; I365-H369 PolarHBondContact O-ND1 2.82Å
366A95.8Very high92Very high0 Ų065.5 Ų65.50%034%0.342CS..Hα-helixtrans-57.7-42.1176.400000111.2A331 P362 A363 G370 H371 L374 H375 L378A331-A366 HydrophobicContact CB-CB 4.15Å; A331-A366 WeakPolarHBondContact O-CA 3.31Å; P362-A366 PolarHBondContact O-N 2.86Å; A363-A366 PolarHBondContact O-N 3.09Å; A366-G370 PolarHBondContact O-N 3.41Å; A366-H371 HydrophobicContact CB-CB 4.3Å; A366-H371 PolarHBondContact O-N 3.11Å; A366-L374 HydrophobicContact CB-CG 4.29Å; A366-H375 HydrophobicContact CB-CB 4.2Å; A366-L378 HydrophobicContact CB-CD1 3.98Å
367K95.4Very high92.3Very high143 Ų14366.1 Ų66.162%0.62235%0.346SS*.Hα-helixtrans-63.8-45.5175-172.5-177.8173.7-168.80112.5A363 D364 I365 H369 G370A363-K367 PolarHBondContact O-N 2.85Å; A363-K367 VanDerWaalsContact O-N 3.08Å; D364-K367 PolarHBondContact O-N 3.27Å; I365-K367 VanDerWaalsContact C-N 3.26Å; I365-K367 PolarHBondContact O-N 2.88Å; K367-H369 VanDerWaalsContact C-N 3.29Å; K367-H369 PolarHBondContact O-N 3.38Å; K367-G370 PolarHBondContact O-N 2.94Å
368S94.9Very high92.8Very high71 Ų7157.7 Ų57.750%0.49731%0.314SS..Hα-helixtrans-70.9-23.8-175.776.40000113.5D364 I365D364-S368 WeakPolarHBondContact O-CB 3.42Å; D364-S368 PolarHBondContact O-N 2.84Å; I365-S368 PolarHBondContact O-N 3.31Å; I365-S368 PolarHBondContact O-OG 2.78Å
369H93.1Very high93.2Very high73 Ų7355.3 Ų55.334%0.33830%0.301SS..THydrogen-bonded Turntrans-975.3176.3-6179.9000113I365 K367I365-H369 PolarHBondContact O-N 3.4Å; I365-H369 PolarHBondContact O-ND1 2.82Å; K367-H369 VanDerWaalsContact C-N 3.29Å; K367-H369 PolarHBondContact O-N 3.38Å
370G92.9Very high93.4Very high50 Ų5056.5 Ų56.552%0.51529%0.291SS..THydrogen-bonded Turntrans89.20.2172.600000116.2A366 K367 K372A366-G370 PolarHBondContact O-N 3.41Å; K367-G370 PolarHBondContact O-N 2.94Å; G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 3.34Å
371H95.8Very high93.4Very high56 Ų5655.8 Ų55.826%0.25929%0.287SS..  trans-76.769.6-175.7-55.7-57.1000112.1A331 R332 G334 A366 E373 L374 H375A331-H371 PolarHBondContact O-CD2 2.86Å; A331-H371 VanDerWaalsContact O-CD2 3.29Å; R332-H371 PolarHBondContact O-NE2 2.88Å; G334-H371 PolarHBondContact N-NE2 2.87Å; A366-H371 HydrophobicContact CB-CB 4.3Å; A366-H371 PolarHBondContact O-N 3.11Å; H371-E373 PolarHBondContact O-N 2.87Å; H371-L374 HydrophobicContact CB-CB 4.15Å; H371-L374 PolarHBondContact O-N 2.88Å; H371-H375 PolarHBondContact O-N 3.38Å
372K92.9Very high93.3Very high170 Ų17056.2 Ų56.274%0.73929%0.288SS*.Hα-helixtrans-55-47.3-172.6-67.9174.6-174.4172.50113.6G370 H375 V376G370-K372 VanDerWaalsContact C-N 3.27Å; G370-K372 PolarHBondContact O-N 3.34Å; K372-H375 WeakPolarHBondContact O-CB 3.05Å; K372-H375 PolarHBondContact O-N 2.91Å; K372-V376 WeakPolarHBondContact O-CG2 3.37Å; K372-V376 PolarHBondContact O-N 2.82Å; K372-V376 VanDerWaalsContact O-N 3.17Å
373E90.4Very high92.9Very high122 Ų12262.2 Ų62.257%0.5732%0.316SS*.Hα-helixtrans-64.1-47.6-178.7-57.8-174.415900111.4R336 H371 H375 V376 I377R336-E373 IonicContact CZ-OE2 3.93Å; R336-E373 IonicContact NH1-OE2 2.69Å; R336-E373 PolarHBondContact NH1-OE2 3.22Å; H371-E373 PolarHBondContact O-N 2.87Å; E373-H375 VanDerWaalsContact C-N 3.29Å; E373-H375 PolarHBondContact O-N 2.86Å; E373-V376 WeakPolarHBondContact O-CB 3.42Å; E373-V376 PolarHBondContact O-N 2.99Å; E373-I377 WeakPolarHBondContact O-CG1 3.42Å; E373-I377 PolarHBondContact O-N 3.4Å
374L93.7Very high92.4Very high6 Ų665.5 Ų65.53%0.03133%0.33CS..Hα-helixtrans-62.8-36.8178.2-177.353000111.6A366 H371 V376 I377 L378A366-L374 HydrophobicContact CB-CG 4.29Å; H371-L374 HydrophobicContact CB-CB 4.15Å; H371-L374 PolarHBondContact O-N 2.88Å; L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 PolarHBondContact O-N 3.22Å; L374-I377 PolarHBondContact O-N 3.28Å; L374-L378 HydrophobicContact CD1-CD1 4.05Å; L374-L378 HydrophobicContact CD1-CD2 4.46Å; L374-L378 HydrophobicContact CD1-CG 3.96Å; L374-L378 HydrophobicContact CG-CD1 3.91Å; L374-L378 HydrophobicContact CG-CG 4.34Å; L374-L378 WeakPolarHBondContact O-CB 3.49Å; L374-L378 WeakPolarHBondContact O-CD1 3.35Å; L374-L378 WeakPolarHBondContact O-CG 3.38Å; L374-L378 PolarHBondContact O-N 3.25Å
375H94.9Very high91.9Very high25 Ų2564.3 Ų64.312%0.11632%0.322CS..Hα-helixtrans-59.4-40.6171.7-179.270.1000112.9A363 A366 H371 K372 E373 K379A363-H375 PolarHBondContact O-CE1 3.29Å; A363-H375 PolarHBondContact O-ND1 2.96Å; A366-H375 HydrophobicContact CB-CB 4.2Å; H371-H375 PolarHBondContact O-N 3.38Å; K372-H375 WeakPolarHBondContact O-CB 3.05Å; K372-H375 PolarHBondContact O-N 2.91Å; E373-H375 VanDerWaalsContact C-N 3.29Å; E373-H375 PolarHBondContact O-N 2.86Å; H375-K379 WeakPolarHBondContact CE1-CE 3.13Å; H375-K379 PolarHBondContact CE1-NZ 3.35Å; H375-K379 VanDerWaalsContact CE1-NZ 3.33Å; H375-K379 WeakPolarHBondContact NE2-CE 3.44Å; H375-K379 PolarHBondContact NE2-NZ 2.88Å; H375-K379 WeakPolarHBondContact O-CB 3.42Å; H375-K379 PolarHBondContact O-N 2.87Å
376V94Very high91.2Very high86 Ų8667.6 Ų67.652%0.52134%0.339SS..Hα-helixtrans-67-49.3176.6174.30000110.4K372 E373 L374 L378 K379 Q380K372-V376 WeakPolarHBondContact O-CG2 3.37Å; K372-V376 PolarHBondContact O-N 2.82Å; K372-V376 VanDerWaalsContact O-N 3.17Å; E373-V376 WeakPolarHBondContact O-CB 3.42Å; E373-V376 PolarHBondContact O-N 2.99Å; L374-V376 VanDerWaalsContact C-N 3.33Å; L374-V376 PolarHBondContact O-N 3.22Å; V376-L378 PolarHBondContact O-N 3.39Å; V376-K379 PolarHBondContact O-N 3.5Å; V376-Q380 WeakPolarHBondContact O-CB 3.39Å; V376-Q380 PolarHBondContact O-N 3.22Å
377I93.3Very high90.1Very high34 Ų3471.8 Ų71.817%0.17437%0.365CS..Hα-helixtrans-56.6-48.8179.1-66.3165.2000111.1R336 L343 E373 L374 K379 Q380 K381R336-I377 HydrophobicContact CG-CD1 4.16Å; L343-I377 HydrophobicContact CD1-CG2 3.96Å; E373-I377 WeakPolarHBondContact O-CG1 3.42Å; E373-I377 PolarHBondContact O-N 3.4Å; L374-I377 PolarHBondContact O-N 3.28Å; I377-K379 PolarHBondContact O-N 3.27Å; I377-Q380 PolarHBondContact O-N 2.87Å; I377-K381 WeakPolarHBondContact O-CG 3.5Å; I377-K381 PolarHBondContact O-N 3.43Å
378L93.9Very high88.6Confident1 Ų172.2 Ų72.21%0.00537%0.367CS..Hα-helixtrans-61.2-42.1179.5-69167.4000111.9L327 A331 L343 L352 P362 A363 A366 L374 V376 L382L327-L378 HydrophobicContact CD1-CD2 3.92Å; L327-L378 HydrophobicContact CD2-CD2 4.11Å; L327-L378 HydrophobicContact CG-CD2 4.13Å; A331-L378 HydrophobicContact CB-CD1 4.2Å; L343-L378 HydrophobicContact CD1-CD2 4.12Å; L343-L378 HydrophobicContact CD2-CD2 4.22Å; L352-L378 HydrophobicContact CD2-CB 4.03Å; L352-L378 HydrophobicContact CD2-CD2 3.66Å; L352-L378 HydrophobicContact CD2-CG 4.45Å; P362-L378 HydrophobicContact CB-CD1 4.28Å; A363-L378 HydrophobicContact CB-CB 4.19Å; A366-L378 HydrophobicContact CB-CD1 3.98Å; L374-L378 HydrophobicContact CD1-CD1 4.05Å; L374-L378 HydrophobicContact CD1-CD2 4.46Å; L374-L378 HydrophobicContact CD1-CG 3.96Å; L374-L378 HydrophobicContact CG-CD1 3.91Å; L374-L378 HydrophobicContact CG-CG 4.34Å; L374-L378 WeakPolarHBondContact O-CB 3.49Å; L374-L378 WeakPolarHBondContact O-CD1 3.35Å; L374-L378 WeakPolarHBondContact O-CG 3.38Å; L374-L378 PolarHBondContact O-N 3.25Å; V376-L378 PolarHBondContact O-N 3.39Å; L378-L382 WeakPolarHBondContact O-CB 3.29Å; L378-L382 PolarHBondContact O-N 2.83Å; L378-L382 VanDerWaalsContact O-N 3.08Å
379K92.4Very high86.8Confident93 Ų9370.9 Ų70.940%0.40436%0.357SS..Hα-helixtrans-68.2-42.8176.4-86-177166.2171.10113.1A363 H375 V376 I377 L382 Q383A363-K379 HydrophobicContact CB-CG 4.35Å; H375-K379 WeakPolarHBondContact CE1-CE 3.13Å; H375-K379 PolarHBondContact CE1-NZ 3.35Å; H375-K379 VanDerWaalsContact CE1-NZ 3.33Å; H375-K379 WeakPolarHBondContact NE2-CE 3.44Å; H375-K379 PolarHBondContact NE2-NZ 2.88Å; H375-K379 WeakPolarHBondContact O-CB 3.42Å; H375-K379 PolarHBondContact O-N 2.87Å; V376-K379 PolarHBondContact O-N 3.5Å; I377-K379 PolarHBondContact O-N 3.27Å; K379-L382 PolarHBondContact O-N 3.21Å; K379-Q383 WeakPolarHBondContact O-CG 3.31Å; K379-Q383 PolarHBondContact O-N 3.34Å
380Q90.3Very high84.8Confident87 Ų8773.5 Ų73.541%0.40737%0.37SS..Hα-helixtrans-64.4-42.4-179.5-171.7179.80.600111V376 I377 Q383 Q384V376-Q380 WeakPolarHBondContact O-CB 3.39Å; V376-Q380 PolarHBondContact O-N 3.22Å; I377-Q380 PolarHBondContact O-N 2.87Å; Q380-Q383 PolarHBondContact O-N 3.01Å; Q380-Q384 WeakPolarHBondContact O-CG 3.46Å; Q380-Q384 PolarHBondContact O-N 3.04Å
381K89.7Confident82.9Confident41 Ų4175.9 Ų75.918%0.17837%0.374CS..Hα-helixtrans-64.5-41.6172.7-66-57.9-178.4-174.10112.2D106 L343 L352 I377 Q383 Q384 F385D106-K381 WeakPolarHBondContact O-CE 3.45Å; D106-K381 PolarHBondContact O-NZ 3.36Å; L343-K381 HydrophobicContact CD1-CG 4.14Å; L343-K381 HydrophobicContact CD2-CB 4.13Å; L343-K381 HydrophobicContact CD2-CG 4.34Å; L352-K381 HydrophobicContact CD1-CB 4.34Å; I377-K381 WeakPolarHBondContact O-CG 3.5Å; I377-K381 PolarHBondContact O-N 3.43Å; K381-Q383 VanDerWaalsContact C-N 3.33Å; K381-Q383 PolarHBondContact O-N 3.32Å; K381-Q384 VanDerWaalsContact CD-OE1 3.32Å; K381-Q384 PolarHBondContact O-N 2.79Å; K381-F385 HydrophobicContact CB-CE2 4.41Å; K381-F385 WeakPolarHBondContact O-CD2 3.22Å; K381-F385 PolarHBondContact O-N 2.96Å
382L88.8Confident80.6Confident41 Ų4177.4 Ų77.422%0.21539%0.391CS..Hα-helixtrans-61.1-40.2174.8-178.458.3000112.4L352 R353 L378 K379 F385 L386L352-L382 HydrophobicContact CB-CD1 4.17Å; L352-L382 HydrophobicContact CD1-CB 4.17Å; R353-L382 HydrophobicContact CG-CD1 3.88Å; L378-L382 WeakPolarHBondContact O-CB 3.29Å; L378-L382 PolarHBondContact O-N 2.83Å; L378-L382 VanDerWaalsContact O-N 3.08Å; K379-L382 PolarHBondContact O-N 3.21Å; L382-F385 PolarHBondContact O-N 2.89Å; L382-L386 HydrophobicContact CG-CD1 4.32Å; L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 3.41Å; L382-L386 VanDerWaalsContact O-N 3.13Å
383Q85.9Confident78.3Confident126 Ų12672.4 Ų72.459%0.58938%0.377SS*.Hα-helixtrans-65.4-41174.4-75.1175.6-24.100112.2K379 Q380 K381 L386 T387K379-Q383 WeakPolarHBondContact O-CG 3.31Å; K379-Q383 PolarHBondContact O-N 3.34Å; Q380-Q383 PolarHBondContact O-N 3.01Å; K381-Q383 VanDerWaalsContact C-N 3.33Å; K381-Q383 PolarHBondContact O-N 3.32Å; Q383-L386 PolarHBondContact O-N 3.48Å; Q383-T387 PolarHBondContact O-N 3.32Å; Q383-T387 PolarHBondContact O-OG1 3.08Å
384Q84.9Confident76Confident74 Ų7472.7 Ų72.735%0.34638%0.379SS..Hα-helixtrans-59.6-46.1174.6-74.2172.8-5.300111.7Q380 K381 L386 T387 F388Q380-Q384 WeakPolarHBondContact O-CG 3.46Å; Q380-Q384 PolarHBondContact O-N 3.04Å; K381-Q384 VanDerWaalsContact CD-OE1 3.32Å; K381-Q384 PolarHBondContact O-N 2.79Å; Q384-L386 VanDerWaalsContact C-N 3.3Å; Q384-L386 PolarHBondContact O-N 3Å; Q384-T387 PolarHBondContact O-N 3.14Å; Q384-T387 PolarHBondContact O-OG1 2.77Å; Q384-F388 VanDerWaalsContact O-CD2 3.31Å; Q384-F388 WeakPolarHBondContact O-CD2 3.36Å; Q384-F388 PolarHBondContact O-N 3.45Å
385F82.5Confident73.4Confident44 Ų4480.7 Ų80.719%0.19342%0.416CS..Hα-helixtrans-61-37.6175-67.7-59.9000112.6A348 E349 L352 K381 L382 S389A348-F385 HydrophobicContact CB-CE2 4.32Å; A348-F385 HydrophobicContact CB-CZ 4.15Å; E349-F385 HydrophobicContact CB-CB 4.26Å; E349-F385 HydrophobicContact CB-CD1 4.13Å; E349-F385 HydrophobicContact CB-CD2 3.94Å; E349-F385 HydrophobicContact CB-CE1 4.49Å; E349-F385 HydrophobicContact CB-CE2 4.32Å; E349-F385 HydrophobicContact CB-CG 3.86Å; E349-F385 HydrophobicContact CG-CB 3.78Å; E349-F385 HydrophobicContact CG-CD2 4.28Å; E349-F385 HydrophobicContact CG-CG 3.97Å; L352-F385 HydrophobicContact CD1-CD2 3.97Å; L352-F385 HydrophobicContact CD1-CE2 3.86Å; K381-F385 HydrophobicContact CB-CE2 4.41Å; K381-F385 WeakPolarHBondContact O-CD2 3.22Å; K381-F385 PolarHBondContact O-N 2.96Å; L382-F385 PolarHBondContact O-N 2.89Å; F385-S389 PolarHBondContact O-N 3.36Å
386L79.9Confident70.6Confident77 Ų7787.2 Ų87.240%0.40345%0.448SS..Hα-helixtrans-67.9-37.5176.9-72.9165.8000113.2R353 L382 Q383 Q384 S389R353-L386 VanDerWaalsContact NH2-CD2 3.34Å; L382-L386 HydrophobicContact CG-CD1 4.32Å; L382-L386 WeakPolarHBondContact O-CG 3.43Å; L382-L386 PolarHBondContact O-N 3.41Å; L382-L386 VanDerWaalsContact O-N 3.13Å; Q383-L386 PolarHBondContact O-N 3.48Å; Q384-L386 VanDerWaalsContact C-N 3.3Å; Q384-L386 PolarHBondContact O-N 3Å; L386-S389 PolarHBondContact O-OG 2.85Å
387T73.2Confident67.9Low87 Ų8790.3 Ų90.353%0.53446%0.457SS..Hα-helixtrans-72.1-38178.752.10000112.6Q383 Q384 S389 H390 V391Q383-T387 PolarHBondContact O-N 3.32Å; Q383-T387 PolarHBondContact O-OG1 3.08Å; Q384-T387 PolarHBondContact O-N 3.14Å; Q384-T387 PolarHBondContact O-OG1 2.77Å; T387-S389 VanDerWaalsContact C-N 3.31Å; T387-S389 PolarHBondContact O-N 3.24Å; T387-H390 PolarHBondContact O-N 3.49Å; T387-V391 PolarHBondContact O-N 3.34Å
388F63.7Low65.2Low152 Ų15295.4 Ų95.467%0.66749%0.485SS*.Hα-helixtrans-64.3-32.6176-85.8-71.9000113.2Q384 S392Q384-F388 VanDerWaalsContact O-CD2 3.31Å; Q384-F388 WeakPolarHBondContact O-CD2 3.36Å; Q384-F388 PolarHBondContact O-N 3.45Å; F388-S392 PolarHBondContact O-N 2.95Å; F388-S392 PolarHBondContact O-OG 3.06Å
389S57.6Low62.7Low43 Ų43102.8 Ų102.830%0.30152%0.523SS..Hα-helixtrans-68.6-38.7178.878.10000112.7F385 L386 T387 S392 S393F385-S389 PolarHBondContact O-N 3.36Å; L386-S389 PolarHBondContact O-OG 2.85Å; T387-S389 VanDerWaalsContact C-N 3.31Å; T387-S389 PolarHBondContact O-N 3.24Å; S389-S392 PolarHBondContact O-N 3.42Å; S389-S393 PolarHBondContact O-N 3.18Å; S389-S393 PolarHBondContact O-OG 3.31Å
390H51Low60.1Low128 Ų128102.5 Ų102.559%0.59353%0.533SS*.Hα-helixtrans-65.6-42177.6-82.2-156.6000113.2T387 S392 S393 Q394T387-H390 PolarHBondContact O-N 3.49Å; H390-S392 PolarHBondContact O-N 2.75Å; H390-S393 PolarHBondContact O-N 3.16Å; H390-Q394 PolarHBondContact O-N 3.07Å
391V52.7Low57.5Low100 Ų100104 Ų10461%0.60655%0.553SS**Hα-helixtrans-62.1-32.4178.1178.50000111.3T387T387-V391 PolarHBondContact O-N 3.34Å
392S46.3Very low54.9Low89 Ų89107.3 Ų107.362%0.62258%0.581SS**Hα-helixtrans-72.4-34.2179.5-55.50000112.7F388 S389 H390F388-S392 PolarHBondContact O-N 2.95Å; F388-S392 PolarHBondContact O-OG 3.06Å; S389-S392 PolarHBondContact O-N 3.42Å; H390-S392 PolarHBondContact O-N 2.75Å
393S45.7Very low52.1Low64 Ų64114.4 Ų114.445%0.44861%0.606SS.*Hα-helixtrans-72.7-38.3-179.1-58.10000113.5S389 H390 H395 M396S389-S393 PolarHBondContact O-N 3.18Å; S389-S393 PolarHBondContact O-OG 3.31Å; H390-S393 PolarHBondContact O-N 3.16Å; S393-H395 PolarHBondContact O-N 3.27Å; S393-M396 PolarHBondContact O-N 3.18Å; S393-M396 VanDerWaalsContact O-N 3.15Å
394Q42Very low49.5Very low129 Ų129114 Ų11460%0.60361%0.613SS**Hα-helixtrans-64.5-14.7-175.2-69.5-179.8-3.700114H390 N398H390-Q394 PolarHBondContact O-N 3.07Å; Q394-N398 PolarHBondContact O-ND2 3.42Å
395H37.8Very low46.8Very low174 Ų174116.7 Ų116.781%0.80664%0.635SS**Hα-helixtrans-82.2-10.3178-119.587.8000114.6S393S393-H395 PolarHBondContact O-N 3.27Å
396M36.2Very low44.4Very low162 Ų162124.6 Ų124.680%0.79867%0.669SS**Hα-helixtrans-110.8-27.7-175.3-152.2171.577.900114.6S393S393-M396 PolarHBondContact O-N 3.18Å; S393-M396 VanDerWaalsContact O-N 3.15Å
397E37.1Very low42.1Very low150 Ų150129 Ų12970%0.70169%0.69SS**Hα-helixtrans-74.5-28.5-178.9-63.7-174.1142.100113.2L399 S400E397-L399 PolarHBondContact O-N 3.32Å; E397-S400 PolarHBondContact O-N 3.19Å
398N37.9Very low40Very low142 Ų142133.4 Ų133.476%0.75971%0.709SS**THydrogen-bonded Turntrans-65.9-6.1-176.5-80-52.4000115.2Q394Q394-N398 PolarHBondContact O-ND2 3.42Å
399L41.4Very low38.3Very low156 Ų156129.3 Ų129.382%0.81771%0.709SS**THydrogen-bonded Turntrans-99-7.6178.2-155.566.1000113.9E397E397-L399 PolarHBondContact O-N 3.32Å
400S36.5Very low37Very low86 Ų86133.3 Ų133.360%0.60174%0.737SS**THydrogen-bonded Turntrans-97.1-23.2-174.7-156.10000114.3E397 S402E397-S400 PolarHBondContact O-N 3.19Å; S400-S402 PolarHBondContact O-N 2.75Å
401S36.2Very low35.8Very low119 Ų119129.9 Ų129.983%0.83274%0.737SS**THydrogen-bonded Turntrans-9234.9-165.3-1530000115.4
402S34.5Very low34.8Very low111 Ų111133.1 Ų133.178%0.77675%0.75SS**THydrogen-bonded Turntrans-125.9-12.5-168.1-157.50000116.4S400S400-S402 PolarHBondContact O-N 2.75Å
403Y31.1Very low34.1Very low189 Ų189136.8 Ų136.874%0.74176%0.763SS**SBendtrans-135.827.7-168.968.4-87.7000117.4
404T30.2Very low33.4Very low118 Ų118140.9 Ų140.972%0.72478%0.78SS**SBendtrans-120.6111.6169.447.20000114.1
405T29.3Very low33Very low131 Ų131139.7 Ų139.780%0.80479%0.786SS**  trans65.684.8143-42.80000118.2
406K31.3Very low32.7Very low210 Ų210137.6 Ų137.691%0.91379%0.785SS**  trans-106.3113.9142.1-82.9-172.1175.7-178.60109.4
407M31.5Very low32.5Very low170 Ų170139.3 Ų139.384%0.83778%0.784SS**  trans-154.4151.9160.1-100.9-57.1176.900110.2
408L31Very low32.5Very low179 Ų179141.3 Ų141.394%0.93779%0.794SS**  trans68157.9179-63.9150.2000115.3
409G27.2Very low32.5Very low66 Ų66141.3 Ų141.368%0.6879%0.791SS**  trans-162.8-137.8-168.800000111.2
410S29.1Very low32.2Very low127 Ų127141.3 Ų141.389%0.88879%0.788SS**  trans72.8143.1-150.5-154.80000110.8
411G27.3Very low32Very low56 Ų56141.5 Ų141.558%0.57779%0.789SS**  cis133.8119.3-0.300000109.3
412D31.2Very low31.7Very low167 Ų167143.1 Ų143.189%0.89379%0.788SS**  trans51.3113.9174.6-53.3-20.8000118
413D32.2Very low31.8Very low167 Ų167142.2 Ų142.289%0.89379%0.787SS**  -149.7165.5102.3-140.2-26.2000111
414N30Very low31.6Very low149 Ų149140 Ų14080%0.79779%0.793SS**  trans-127.3-176.4-164.7-165.28.5000112.1
415S34.3Very low31.6Very low104 Ų104141.7 Ų141.773%0.72780%0.798SS**  trans80.8138.7170.8-133.70000115.6
416V30.8Very low31.6Very low130 Ų130143.2 Ų143.279%0.78880%0.801SS**  cis-155.3166.3-11.11080000111.4
417Y33.1Very low31.5Very low199 Ų199142.2 Ų142.278%0.7880%0.796SS**  trans-51.4145.7167.9-118-120000113.8
418E37.5Very low31.3Very low192 Ų192139.3 Ų139.390%0.89779%0.792SS**  -163.9174105.4-122.8-175.7173.400113.5
419M36.7Very low30.9Very low142 Ų142138.8 Ų138.870%0.779%0.787SS**  trans-149.1141.1-160.2-156.8-159.8-163.600111.4
420M34.4Very low31Very low156 Ų156144.9 Ų144.977%0.76880%0.795SS**  trans68.7175.1168.1-38.3-155-69.100115.4
421C32.9Very low31.3Very low90 Ų90144.1 Ų144.161%0.60879%0.787SS**  cis-156.8178.22.3-147.80000114.6
422N29.3Very low31.4Very low152 Ų152149.7 Ų149.781%0.81380%0.798SS**  trans94.5132.2143.8-72-31000121.7
423A36.8Very low31.4Very low92 Ų92150.4 Ų150.476%0.7679%0.793SS**  trans-115.8162.2159.800000109.2
424T27.6Very low31Very low142 Ų142148.3 Ų148.387%0.87179%0.786SS**  trans-137.2143.5172.946.40000111.8
425N30.9Very low30.7Very low154 Ų154145.9 Ų145.982%0.82478%0.78SS**  trans-104.1152.3-178.2-82.5-96.3000112
426L28.4Very low30.5Very low164 Ų164149.1 Ų149.186%0.85978%0.781SS**  trans-156.6-172.4130.5-137.759.8000112.9
427K30.1Very low30.4Very low188 Ų188149 Ų14982%0.81777%0.772SS**  trans-130.1163.4-145.5-57.3174.1179.3174.40115.7
428S26.1Very low30.2Very low109 Ų109148 Ų14876%0.76277%0.767SS**  trans96.4118.9138.5-159.30000119.9
429M24Very low29.7Very low169 Ų169145.6 Ų145.683%0.83376%0.755SS**  -177.8162.3104.8-94-173.975.300112.6
430K28.5Very low29.1Very low193 Ų193142.3 Ų142.384%0.83975%0.746SS**  trans-139.8160.5167.2-77-171.4176.9-178.30108.7
431P35.9Very low28.7Very low111 Ų111143.6 Ų143.672%0.72175%0.75SS**  -151.6145.410936-18.6000117.5
432H28.3Very low28.4Very low174 Ų174142.5 Ų142.581%0.80675%0.753SS**  trans44148.9136.4-71.4-74.3000123.2
433K31.2Very low28.2Very low181 Ų181144.2 Ų144.279%0.78776%0.757SS**  cis-142.9179.513.6-98.1129.7-179.9-177.30108.3
434T23.8Very low27.9Very low123 Ų123147 Ų14776%0.75576%0.759SS**  cis-150.5160.6-0.78.80000106.6
435C24.9Very low28.2Very low98 Ų98149 Ų14966%0.66276%0.758SS**  66.6126.959.3-114.60000114.2
436K28.4Very low28.6Very low172 Ų172148.2 Ų148.275%0.74875%0.754SS**  cis-147136.426.3-98-171.6177.51790112
437Q29.8Very low28.8Very low127 Ų127147.7 Ų147.759%0.59375%0.751SS**  75.3143.793.7-75.5-174-32.300115.4
438R28.7Very low29Very low180 Ų180148.8 Ų148.868%0.67975%0.752SS**  cis-158144.713.7-117173.6-154.1-114.419.4110.3
439Q27.3Very low29.3Very low140 Ų140149.7 Ų149.765%0.65475%0.753SS**  62.6146.1100.8-68.5-166.5-70.700116.9
440C24.6Very low30.3Very low74 Ų74146.7 Ų146.750%0.575%0.746SS.*  cis-168.8166.6-6.2-109.90000111.7
441E25.6Very low30.7Very low183 Ų183146.2 Ų146.286%0.85575%0.752SS**  trans50162.1152.8-71.1117.8-136.400120.4
442G25.2Very low30.4Very low66 Ų66143.8 Ų143.868%0.6875%0.747SS**  cis167.5155.1-8.500000112.5
443E26.9Very low30.5Very low189 Ų189142 Ų14288%0.88375%0.748SS**  trans68.2126156.8-63.6169.9-175.200121.7
444D29.6Very low30.5Very low151 Ų151139.4 Ų139.481%0.80774%0.742SS**  trans28143.8139.2-53.4-8.7000124.2
445E33.4Very low31Very low184 Ų184139.8 Ų139.886%0.8674%0.74SS**  -172.9154.3124.2-100.4-62.1176.300110.9
446D39.2Very low31.4Very low136 Ų136142.7 Ų142.773%0.72774%0.744SS**  trans-121.4127177.7-18022.6000110.7
447L33.6Very low31.6Very low154 Ų154140.7 Ų140.781%0.80675%0.752SS**  trans-14097-171.4-149.276.3000115.1
448Y33.4Very low31.6Very low211 Ų211141.2 Ų141.283%0.82776%0.758SS**  trans-73.7128.6166.5-123.3-94.8000111.5
449T33.3Very low31.7Very low128 Ų128138.2 Ų138.279%0.78577%0.765SS**  trans-159.8135.6148.4-100000112.4
450P45Very low31.8Very low106 Ų106138 Ų13869%0.68877%0.768SS**  trans-108.3158.2-173.739.3-33.8000115.2
451L35.7Very low32Very low183 Ų183143.3 Ų143.396%0.95878%0.783SS**  trans-142.8155.9165.3-67.3175.6000108.8
452G29.7Very low32.1Very low60 Ų60143.5 Ų143.562%0.61978%0.781SS**  cis176.231.2200000116.9
453V31.4Very low32.4Very low136 Ų136145.5 Ų145.582%0.82479%0.785SS**  trans63.6162.9165-53.40000120.8
454N30.9Very low32.6Very low127 Ų127145.9 Ų145.968%0.67979%0.787SS**  trans70.4140.6169.7-65.346.6000117.6
455D35Very low32.7Very low130 Ų130147.2 Ų147.270%0.69579%0.785SS**  cis-152.6170.9-3-116.3-18.4000116.2
456E31.7Very low33Very low159 Ų159144.4 Ų144.474%0.74378%0.781SS**  trans-22.1141.1177.6-52.2-172.2119.200121.2
457S33.7Very low32.9Very low131 Ų131146.3 Ų146.392%0.91679%0.79SS**  -152.5127.6129.8-84.70000111.1
458N29.2Very low33.1Very low138 Ų138144.3 Ų144.374%0.73878%0.78SS**  trans-112.5129-165.4-157.9-17.2000110.8
459S30.4Very low33.4Very low117 Ų117142.5 Ų142.582%0.81878%0.784SS**  trans-148.5147.4162.772.50000110.6
460N29.4Very low33.8Very low136 Ų136142.1 Ų142.173%0.72778%0.782SS**  trans-102.1156.5-154.6-103.7-66.3000115.5
461F29.3Very low33.7Very low184 Ų184142.1 Ų142.181%0.80778%0.776SS**  trans-42.4152.6159.4-57.1-98.3000111.9
462K27.7Very low34.4Very low187 Ų187143.4 Ų143.481%0.81377%0.768SS**  -167.3137.463.1-81.2177.2-179.3171.20115
463S32.7Very low35.3Very low109 Ų109142.1 Ų142.176%0.76275%0.748SS**  trans28.3118141.6660000122.6
464E30Very low37Very low197 Ų197137 Ų13792%0.92172%0.718SS**  trans-146.1112.6131-104.2169.8-16300106.3
465K31.9Very low38.3Very low179 Ų179135 Ų13578%0.77872%0.72SS**  84.876.964.9-156.2-175.8-176.6-170.70114.6
466T38.8Very low38.8Very low124 Ų124132.4 Ų132.476%0.76171%0.71SS**  trans60.463.3143.464.90000119.5
467L37.6Very low39.5Very low176 Ų176127 Ų12792%0.92169%0.687SS**  trans-149.658.6161.8-77.1-175.6000113.8
468D37.7Very low39.9Very low113 Ų113126.5 Ų126.560%0.60468%0.681SS**  trans-157.281161.1-157.411.6000114.3N471D468-N471 PolarHBondContact OD1-ND2 3.28Å
469L40.7Very low40.5Very low172 Ų172130.8 Ų130.890%0.90169%0.687SS**SBendtrans-129.99.6170.1-81.7173.7000112.8
470T41.3Very low40.8Very low121 Ų121129.2 Ų129.274%0.74267%0.674SS**SBendtrans-107.6-13.4-173.347.70000114.1
471N43.3Very low41.1Very low105 Ų105132.3 Ų132.356%0.56168%0.684SS**SBendtrans-108.6-16.5-172-55.5-60.4000114.3Y24 D468Y24-N471 WeakPolarHBondContact CE2-O 3.38Å; Y24-N471 PolarHBondContact OH-O 3.1Å; D468-N471 PolarHBondContact OD1-ND2 3.28Å
472R50.1Low41.1Very low211 Ų211129 Ų12980%0.79668%0.682SS**SBendtrans-75.6136.5-177.2-167.7178.4-176.2167.73.7110.9
473P48.2Very low41.3Very low32 Ų32128.5 Ų128.521%0.20869%0.685CS.*PPolyproline II helixtrans-57.8143.5172.421.9-32.4000111.6W21 Y24W21-P473 HydrophobicContact CH2-CB 3.5Å; W21-P473 HydrophobicContact CZ2-CB 4.19Å; W21-P473 HydrophobicContact CZ3-CB 3.92Å; Y24-P473 HydrophobicContact CD1-CB 4.48Å; Y24-P473 HydrophobicContact CE1-CB 3.83Å
474P66.4Low41.6Very low30 Ų30132.4 Ų132.420%0.19569%0.691CS.*PPolyproline II helixtrans-66.1149.8177.826.1-30.9000110.8W21W21-P474 HydrophobicContact CD2-CG 3.74Å; W21-P474 HydrophobicContact CE3-CG 4.32Å; W21-P474 HydrophobicContact CG-CG 3.83Å; W21-P474 HydrophobicContact CZ2-CG 4.37Å; W21-P474 WeakPolarHBondContact CZ2-O 3.37Å
475A58.5Low41.5Very low85 Ų85131.5 Ų131.570%0.70269%0.692SS**PPolyproline II helixtrans-60.8142.4-177.300000111.7
476P45.9Very low41.5Very low75 Ų75132.9 Ų132.949%0.48770%0.698SS.*PPolyproline II helixtrans-61149.3172.626.8-34.5000110.5
477T47.7Very low41.3Very low45 Ų45136.7 Ų136.728%0.27671%0.707SS.*PPolyproline II helixtrans-66.3146-174.8430000112.1E17 R479E17-T477 HydrophobicContact CG-CG2 3.81Å; E17-T477 VanDerWaalsContact OE1-CB 3.27Å; E17-T477 WeakPolarHBondContact OE1-CB 3.33Å; E17-T477 WeakPolarHBondContact OE1-CG2 3.38Å; E17-T477 PolarHBondContact OE1-OG1 2.83Å; T477-R479 PolarHBondContact O-N 3.39Å
478P41.9Very low41.1Very low121 Ų121131.4 Ų131.479%0.78670%0.695SS**PPolyproline II helixtrans-64.7132.7-166.523.6-33.8000112.3
479R40.4Very low41Very low227 Ų227136.1 Ų136.186%0.85771%0.71SS**PPolyproline II helixtrans-55.9133.6177.8-166.1-179.2-158.9169.49.1110.5T477 E481T477-R479 PolarHBondContact O-N 3.39Å; R479-E481 PolarHBondContact O-N 3.26Å
480P38.3Very low41Very low85 Ų85133 Ų13355%0.55270%0.698SS**PPolyproline II helixtrans-56.8131.5175.4-24.733.7000111.8K67K67-P480 HydrophobicContact CD-CG 4.34Å
481E35.1Very low41.2Very low201 Ų201131.9 Ų131.994%0.93969%0.693SS**PPolyproline II helixtrans-65.9134.4177.7-65.1-173.916000111R479R479-E481 PolarHBondContact O-N 3.26Å
482C28.6Very low41Very low113 Ų113135.6 Ų135.676%0.76470%0.7SS**  trans-134.5144.4173.2-1720000109.4
483M31.7Very low40.9Very low177 Ų177132 Ų13287%0.87270%0.696SS**SBendtrans75.4121.3-172.2-49.2-106.269.900114.3
484Q38.5Very low40.9Very low191 Ų191134 Ų13489%0.89372%0.715SS**  trans-74.7140177.5-63.1171.7-15.100111.4
485L28.2Very low39.9Very low178 Ų178138.8 Ų138.893%0.93274%0.735SS**  trans-126.4152.4153.2-136.876.3000109.9
486K32.6Very low38.9Very low209 Ų209139.3 Ų139.391%0.90973%0.729SS**  trans-77.4154.9-158.9-65.5177.4179.3176.70114
487E35.5Very low38.5Very low204 Ų204144.6 Ų144.695%0.95375%0.745SS**  trans-52.2142.2172.5-58.6172.4101.300112.8
488G32.5Very low38Very low64 Ų64151.3 Ų151.366%0.6677%0.77SS**  trans160.6115.3161.100000116.7
489K34.8Very low37.4Very low212 Ų212155.6 Ų155.692%0.92278%0.776SS**  trans73.6119.5158.5-53.4167.1-174172.30116.3
490T42.5Very low36.9Very low106 Ų106154.1 Ų154.165%0.6578%0.776SS**  trans-64.1141.816536.50000111.2
491P44.6Very low36.4Very low99 Ų99159.8 Ų159.864%0.64379%0.792SS**  trans-69.3134.4-178.726.7-33.8000112I493 A494P491-I493 PolarHBondContact O-N 2.76Å; P491-A494 WeakPolarHBondContact O-CB 3.49Å; P491-A494 PolarHBondContact O-N 2.76Å
492Y38.3Very low36.2Very low182 Ų182158.1 Ų158.171%0.71479%0.788SS**G310 helixtrans-52.4-33.8-170.1-175.4-117.5000115A494 Q495Y492-A494 PolarHBondContact O-N 2.94Å; Y492-A494 VanDerWaalsContact O-N 3.17Å; Y492-Q495 PolarHBondContact O-N 2.97Å
493I48.8Very low36.7Very low137 Ų137157.6 Ų157.670%0.70378%0.783SS**G310 helixtrans-57.3-31.9179.3-67.9173.8000112.2P491 Q495P491-I493 PolarHBondContact O-N 2.76Å; I493-Q495 PolarHBondContact O-N 3.03Å
494A48.5Very low36.4Very low74 Ų74160.5 Ų160.561%0.61278%0.784SS**G310 helixtrans-70-13.4179.500000114.3P491 Y492P491-A494 WeakPolarHBondContact O-CB 3.49Å; P491-A494 PolarHBondContact O-N 2.76Å; Y492-A494 PolarHBondContact O-N 2.94Å; Y492-A494 VanDerWaalsContact O-N 3.17Å
495Q44.3Very low35.8Very low130 Ų130154.5 Ų154.561%0.60777%0.774SS**G310 helixtrans-94.6-12.7-176.2-64.7-175.2-17.700114Y492 I493Y492-Q495 PolarHBondContact O-N 2.97Å; I493-Q495 PolarHBondContact O-N 3.03Å
496V37.6Very low35.6Very low96 Ų96153.3 Ų153.358%0.58277%0.768SS**THydrogen-bonded Turntrans-84.2-22.2-167.9-158.90000113.6
497F38.4Very low35.3Very low185 Ų185149.1 Ų149.181%0.81176%0.76SS**THydrogen-bonded Turntrans-106.433.3-170.5-70.3-75.3000115.5
498K36.1Very low34.9Very low187 Ų187146.2 Ų146.281%0.81375%0.751SS**  trans-130.876.7175.3-74-168.7176.1-178.90114.4
499K30.7Very low34.6Very low210 Ų210147.9 Ų147.991%0.91375%0.748SS**  trans-161.1144.7154.3-120163.2-173.8171.30115.1
500K29.8Very low34.2Very low197 Ų197147.7 Ų147.786%0.85774%0.743SS**  trans79.393149.7-161.7178.2-173.4177.60119.8
501K27.2Very low33.4Very low204 Ų204147 Ų14789%0.88774%0.743SS**  179.6103.2123-101.6178.2179.1-1760114.2
502I30.5Very low32.5Very low166 Ų166149.3 Ų149.385%0.85175%0.749SS**  trans-155135163.4-62.1-172.2000102.9
503P39.4Very low31.8Very low101 Ų101146.7 Ų146.766%0.65675%0.752SS**  -158.5172.665.944.9-23.7000120.5
504R24.9Very low30.7Very low239 Ų239144.5 Ų144.590%0.90275%0.749SS**  trans67.2140.7167.3-39.8-171.3-171.8-160.1-1114.7
505G25.9Very low29.8Very low65 Ų65148.8 Ų148.867%0.6776%0.756SS**  cis178.8178.73.600000110
506D25.7Very low28.9Very low152 Ų152152.5 Ų152.581%0.81377%0.765SS**  cis-160.7-138.8-9.5-79.9-40.5000109.8
507T26.2Very low28.3Very low122 Ų122156.5 Ų156.575%0.74878%0.777SS**  trans-49.9144-175.5-90000119.5
508D26.7Very low27.7Very low143 Ų143156.6 Ų156.677%0.76578%0.78SS**  153.7147.687.4-131.2-9.4000119.1
509V26.2Very low27.2Very low98 Ų98151.5 Ų151.559%0.59478%0.781SS**  trans38.4148.4162.5-124.80000127.5
510Y26Very low26.9Very low208 Ų208145.4 Ų145.482%0.81678%0.777SS**  trans72.6141.6159.2-65.9-63.9000118.7
511S26.4Very low26.7Very low93 Ų93140.7 Ų140.765%0.6578%0.775SS**  cis-153152.25.7-118.80000114.8
512L24Very low26.8Very low146 Ų146136.3 Ų136.376%0.76477%0.77SS**  trans-5.6146.8136.7-55.3168.3000116.5
513T23.5Very low26.5Very low128 Ų128133.3 Ų133.379%0.78577%0.77SS**  cis-160.2166.913.42.50000107.5
514S27.4Very low26Very low91 Ų91134.4 Ų134.464%0.63678%0.775SS**  -170.5158.853.4-1620000113.1
515Q28.6Very low26.1Very low163 Ų163133 Ų13376%0.76277%0.771SS**  trans14139.3151.3-61.5179.623.300120.4
516R25Very low26.2Very low209 Ų209135.5 Ų135.579%0.78977%0.769SS**  cis-160.4153.34.8-137.4173.3173.7161.7-5.3110.7
517Q25.3Very low26.3Very low179 Ų179134 Ų13484%0.83677%0.766SS**  trans-81.2155.7158-63.8167.8-73.600109.7
518E26.5Very low26.4Very low188 Ų188137.4 Ų137.488%0.87977%0.771SS**  -166153.5116.4-108.9164.3-143.600111.1
519G24.5Very low26.7Very low80 Ų80138.4 Ų138.483%0.82577%0.774SS**  trans-147.4140.1171.700000108.6
520G24.5Very low27.1Very low81 Ų81138.6 Ų138.684%0.83578%0.778SS**  trans-159.2131-173.200000111.2
521A26Very low27.7Very low99 Ų99133.4 Ų133.482%0.81876%0.764SS**  trans-82.6158.6-165.700000115
522S29.1Very low28.5Very low111 Ų111137.5 Ų137.578%0.77677%0.773SS**  trans61.6115.3143.7-160.10000120.3
523A24.4Very low29.2Very low104 Ų104136.3 Ų136.386%0.8677%0.765SS**  trans-140.8156.1147.300000108.9
524T28.5Very low30.2Very low123 Ų123135.5 Ų135.576%0.75575%0.752SS**  trans-130.2155.2-170.9-42.50000111
525Y28.2Very low31.1Very low209 Ų209141.2 Ų141.282%0.8276%0.76SS**  trans82.2103.8175.2-100.3-94.5000119.3
526D26.8Very low32.2Very low118 Ų118140 Ų14063%0.63175%0.754SS**  49.6121.6123.6-160.717.2000121.9
527T27.9Very low33.6Very low122 Ų122135.4 Ų135.475%0.74874%0.742SS**  -168.9142.6120.2-73.10000110.7
528F29.7Very low34.9Very low193 Ų193131.8 Ų131.885%0.84673%0.728SS**  trans-38.9134.7174.7-76.8-113.3000116.4
529I31.4Very low36.3Very low163 Ų163125.5 Ų125.584%0.83671%0.708SS**  trans-124.9126.4162.1-61.9-179000110.1
530P35.5Very low38Very low103 Ų103126 Ų12667%0.66969%0.688SS**  trans-93.3142.8-179.934.3-33.6000115
531N37.6Very low39.3Very low99 Ų99127 Ų12753%0.52967%0.674SS.*  trans54.573.5147.2-63.1-20.7000120.2M533 Q534N531-M533 PolarHBondContact O-N 3.3Å; N531-Q534 HydrophobicContact CB-CB 4.2Å; N531-Q534 HydrophobicContact CB-CG 3.89Å; N531-Q534 PolarHBondContact ND2-OE1 3.01Å; N531-Q534 PolarHBondContact O-N 3.3Å
532Q43.5Very low40.5Very low178 Ų178128.9 Ų128.983%0.83267%0.666SS**THydrogen-bonded Turntrans-61.6-34.6158.3-163.9152.4-16.500112.1Q534 R535Q532-Q534 PolarHBondContact O-N 2.92Å; Q532-Q534 VanDerWaalsContact O-N 3.08Å; Q532-R535 PolarHBondContact O-N 3.47Å
533M38.5Very low41.9Very low121 Ų121130.6 Ų130.660%0.59666%0.662SS**Hα-helixtrans-55.2-20.4175.8-80-83-78.200116N531N531-M533 PolarHBondContact O-N 3.3Å
534Q46.4Very low43.2Very low112 Ų112133.1 Ų133.152%0.52365%0.649SS.*Hα-helixtrans-80.7-21-178.2-81.1-176.7-68.600113.6N531 Q532 L538N531-Q534 HydrophobicContact CB-CB 4.2Å; N531-Q534 HydrophobicContact CB-CG 3.89Å; N531-Q534 PolarHBondContact ND2-OE1 3.01Å; N531-Q534 PolarHBondContact O-N 3.3Å; Q532-Q534 PolarHBondContact O-N 2.92Å; Q532-Q534 VanDerWaalsContact O-N 3.08Å; Q534-L538 PolarHBondContact O-N 3.06Å
535R44.3Very low44.1Very low211 Ų211133.7 Ų133.780%0.79665%0.645SS**Hα-helixtrans-73.7-41.1-179.7-78.9-177.3166.7169-3.1112.8Q532 L538 A539Q532-R535 PolarHBondContact O-N 3.47Å; R535-L538 PolarHBondContact O-N 3.07Å; R535-A539 PolarHBondContact O-N 2.96Å
536E53Low45.4Very low137 Ų137132.8 Ų132.864%0.6465%0.645SS**Hα-helixtrans-66.2-41.9179.9-64.2173.9163.600111.7L538 A539 E540E536-L538 VanDerWaalsContact C-N 3.3Å; E536-L538 PolarHBondContact O-N 3.46Å; E536-A539 PolarHBondContact O-N 3.21Å; E536-E540 PolarHBondContact O-N 3.18Å
537Q54.1Low46.4Very low112 Ų112132.1 Ų132.152%0.52365%0.646SS.*Hα-helixtrans-65-33.3176.8-64.8175.420.800112.2L541Q537-L541 WeakPolarHBondContact O-CB 3.36Å; Q537-L541 PolarHBondContact O-N 3.45Å; Q537-L541 VanDerWaalsContact O-N 3.1Å
538L51.9Low47.1Very low104 Ų104130.7 Ų130.755%0.54565%0.646SS.*Hα-helixtrans-70.2-38.7173.4-108.8157.7000112.4Q534 R535 E536 L541 Q542Q534-L538 PolarHBondContact O-N 3.06Å; R535-L538 PolarHBondContact O-N 3.07Å; E536-L538 VanDerWaalsContact C-N 3.3Å; E536-L538 PolarHBondContact O-N 3.46Å; L538-L541 PolarHBondContact O-N 3.42Å; L538-Q542 WeakPolarHBondContact O-CG 3.37Å; L538-Q542 PolarHBondContact O-N 3.34Å
539A57.4Low47.8Very low55 Ų55127.1 Ų127.146%0.45565%0.645SS.*Hα-helixtrans-65.3-46.2175.200000111.8R535 E536 L541 Q542 Q543R535-A539 PolarHBondContact O-N 2.96Å; E536-A539 PolarHBondContact O-N 3.21Å; A539-L541 VanDerWaalsContact C-N 3.29Å; A539-L541 PolarHBondContact O-N 2.95Å; A539-Q542 PolarHBondContact O-N 3.03Å; A539-Q543 WeakPolarHBondContact O-CB 3.46Å; A539-Q543 PolarHBondContact O-N 2.94Å
540E58.9Low48.3Very low90 Ų90127.1 Ų127.142%0.42164%0.639SS.*Hα-helixtrans-60.7-38.4176.2-163.5-168.7-168.100111.6E536 Q543 R544E536-E540 PolarHBondContact O-N 3.18Å; E540-Q543 PolarHBondContact O-N 3.19Å; E540-R544 PolarHBondContact O-N 3.39Å; E540-R544 IonicContact OE1-CZ 3.06Å; E540-R544 IonicContact OE1-NH1 3.1Å; E540-R544 PolarHBondContact OE1-NH1 3.2Å; E540-R544 IonicContact OE1-NH2 2.67Å; E540-R544 PolarHBondContact OE1-NH2 2.94Å; E540-R544 IonicContact OE2-NH1 2.7Å; E540-R544 PolarHBondContact OE2-NH1 3.04Å
541L51.2Low49.3Very low103 Ų103125.6 Ų125.654%0.53963%0.631SS.*Hα-helixtrans-67.6-47.1176.8-165.673.1000112.1Q537 L538 A539 Q543 R544 M545Q537-L541 WeakPolarHBondContact O-CB 3.36Å; Q537-L541 PolarHBondContact O-N 3.45Å; Q537-L541 VanDerWaalsContact O-N 3.1Å; L538-L541 PolarHBondContact O-N 3.42Å; A539-L541 VanDerWaalsContact C-N 3.29Å; A539-L541 PolarHBondContact O-N 2.95Å; L541-Q543 VanDerWaalsContact C-N 3.25Å; L541-Q543 PolarHBondContact O-N 3.07Å; L541-R544 PolarHBondContact O-N 3.05Å; L541-M545 WeakPolarHBondContact O-CG 3.43Å; L541-M545 PolarHBondContact O-N 2.89Å
542Q52.5Low49.7Very low139 Ų139127.2 Ų127.265%0.6564%0.637SS**Hα-helixtrans-59.8-36.8175.1-78.7-171.3-27.100112.1L538 A539 K546L538-Q542 WeakPolarHBondContact O-CG 3.37Å; L538-Q542 PolarHBondContact O-N 3.34Å; A539-Q542 PolarHBondContact O-N 3.03Å; Q542-K546 PolarHBondContact O-N 2.99Å
543Q58Low50Low146 Ų146123.8 Ų123.868%0.68262%0.624SS**Hα-helixtrans-68.1-41.1177.9-158.5170.821.800111.6A539 E540 L541 K546A539-Q543 WeakPolarHBondContact O-CB 3.46Å; A539-Q543 PolarHBondContact O-N 2.94Å; E540-Q543 PolarHBondContact O-N 3.19Å; L541-Q543 VanDerWaalsContact C-N 3.25Å; L541-Q543 PolarHBondContact O-N 3.07Å; Q543-K546 PolarHBondContact O-N 3.09Å
544R52.6Low50.8Low157 Ų157125.2 Ų125.259%0.59263%0.627SS**Hα-helixtrans-70.6-29.6175.5-74.8-172.9176.6119.914.3114.2E540 L541 K546 T547E540-R544 PolarHBondContact O-N 3.39Å; E540-R544 IonicContact OE1-CZ 3.06Å; E540-R544 IonicContact OE1-NH1 3.1Å; E540-R544 PolarHBondContact OE1-NH1 3.2Å; E540-R544 IonicContact OE1-NH2 2.67Å; E540-R544 PolarHBondContact OE1-NH2 2.94Å; E540-R544 IonicContact OE2-NH1 2.7Å; E540-R544 PolarHBondContact OE2-NH1 3.04Å; L541-R544 PolarHBondContact O-N 3.05Å; R544-K546 VanDerWaalsContact C-N 3.31Å; R544-K546 PolarHBondContact O-N 3.18Å; R544-T547 PolarHBondContact O-N 3.3Å; R544-T547 PolarHBondContact O-OG1 3.4Å
545M47.5Very low51Low135 Ų135121.9 Ų121.967%0.66562%0.619SS**Hα-helixtrans-72-22.4175.9-70.3-168.378.900113.4L541 T547L541-M545 WeakPolarHBondContact O-CG 3.43Å; L541-M545 PolarHBondContact O-N 2.89Å; M545-T547 VanDerWaalsContact C-N 3.33Å
546K54.4Low51.2Low190 Ų190117 Ų11783%0.82661%0.608SS**THydrogen-bonded Turntrans-74.5-17.4174-83.7-174.1172-178.90114.3Q542 Q543 R544Q542-K546 PolarHBondContact O-N 2.99Å; Q543-K546 PolarHBondContact O-N 3.09Å; R544-K546 VanDerWaalsContact C-N 3.31Å; R544-K546 PolarHBondContact O-N 3.18Å
547T49.1Very low51.2Low105 Ų105115.7 Ų115.764%0.64461%0.605SS**SBendtrans-10957.4-175.8580000110.8R544 M545 S549R544-T547 PolarHBondContact O-N 3.3Å; R544-T547 PolarHBondContact O-OG1 3.4Å; M545-T547 VanDerWaalsContact C-N 3.33Å; T547-S549 PolarHBondContact O-N 2.96Å
548A42.6Very low51.2Low91 Ų91115.4 Ų115.475%0.75260%0.604SS**  trans-64.2115.4-157.100000116.2
549S42.9Very low51.2Low119 Ų119115 Ų11583%0.83260%0.601SS**  trans-163.358.8149.253.40000112.8T547T547-S549 PolarHBondContact O-N 2.96Å
550F43.1Very low51.1Low163 Ų163115.6 Ų115.672%0.71560%0.602SS**  trans-141.8133.6172.6-157-100.2000112.1K554F550-K554 HydrophobicContact CE1-CB 3.72Å; F550-K554 HydrophobicContact CZ-CB 3.87Å; F550-K554 HydrophobicContact CZ-CD 4.45Å
551S55.3Low50.9Low70 Ų70115.4 Ų115.449%0.4960%0.604SS.*  trans-79142.7-178.2-162.20000112.5D553 K554S551-D553 PolarHBondContact O-N 2.9Å; S551-D553 PolarHBondContact OG-OD2 3.29Å; S551-K554 PolarHBondContact O-N 2.85Å
552M46.7Very low51Low134 Ų134116.6 Ų116.666%0.6661%0.605SS**Hα-helixtrans-62.8-38-173-161.3170.9-67.300112.9K554 A555 L556M552-K554 VanDerWaalsContact C-N 3.33Å; M552-K554 PolarHBondContact O-N 3.33Å; M552-A555 WeakPolarHBondContact O-CB 3.36Å; M552-A555 PolarHBondContact O-N 3.42Å; M552-L556 PolarHBondContact O-N 2.87Å
553D49.8Very low50.8Low105 Ų105116 Ų11656%0.56160%0.601SS**Hα-helixtrans-64.9-35.4-175.2-40.9-72.9000112.7S551 A555 L556 N557S551-D553 PolarHBondContact O-N 2.9Å; S551-D553 PolarHBondContact OG-OD2 3.29Å; D553-A555 VanDerWaalsContact C-N 3.27Å; D553-A555 PolarHBondContact O-N 3.23Å; D553-L556 PolarHBondContact O-N 2.87Å; D553-N557 PolarHBondContact O-N 2.78Å
554K54.6Low50.6Low152 Ų152115.4 Ų115.466%0.66160%0.599SS**Hα-helixtrans-69.9-24176.2-76.8-169.6175.3-177.70112.7F550 S551 M552 H558F550-K554 HydrophobicContact CE1-CB 3.72Å; F550-K554 HydrophobicContact CZ-CB 3.87Å; F550-K554 HydrophobicContact CZ-CD 4.45Å; S551-K554 PolarHBondContact O-N 2.85Å; M552-K554 VanDerWaalsContact C-N 3.33Å; M552-K554 PolarHBondContact O-N 3.33Å; K554-H558 WeakPolarHBondContact O-CB 3.41Å
555A51.8Low50.8Low42 Ų42112.6 Ų112.635%0.34760%0.599SS.*Hα-helixtrans-77.3-42.417500000111.6M552 D553 H558 I559M552-A555 WeakPolarHBondContact O-CB 3.36Å; M552-A555 PolarHBondContact O-N 3.42Å; D553-A555 VanDerWaalsContact C-N 3.27Å; D553-A555 PolarHBondContact O-N 3.23Å; A555-H558 PolarHBondContact O-N 3.43Å; A555-I559 WeakPolarHBondContact O-CG1 3.21Å; A555-I559 PolarHBondContact O-N 2.81Å; A555-I559 VanDerWaalsContact O-N 3.15Å
556L48.8Very low51.1Low107 Ų107113.7 Ų113.756%0.5660%0.6SS**Hα-helixtrans-63.4-47.7-178.4-69.8172.5000112.4M552 D553 H558 I559 S560M552-L556 PolarHBondContact O-N 2.87Å; D553-L556 PolarHBondContact O-N 2.87Å; L556-H558 VanDerWaalsContact C-N 3.32Å; L556-H558 PolarHBondContact O-N 3.43Å; L556-I559 PolarHBondContact O-N 3.08Å; L556-S560 PolarHBondContact O-N 3.2Å
557N52.8Low51.3Low110 Ų110111.8 Ų111.859%0.58859%0.592SS**Hα-helixtrans-58.7-45.2176.6-70.4-6.6000111.2D553 I559 S560 D561D553-N557 PolarHBondContact O-N 2.78Å; N557-I559 PolarHBondContact O-N 2.69Å; N557-S560 WeakPolarHBondContact O-CB 3.31Å; N557-S560 PolarHBondContact O-N 3.15Å; N557-D561 VanDerWaalsContact O-CG 3.25Å; N557-D561 PolarHBondContact O-N 3.39Å
558H52.5Low51.4Low106 Ų106109.4 Ų109.449%0.49158%0.579SS.*Hα-helixtrans-67.8-22.1-177.6-154.4-7.6000113.7K554 A555 L556 K562K554-H558 WeakPolarHBondContact O-CB 3.41Å; A555-H558 PolarHBondContact O-N 3.43Å; L556-H558 VanDerWaalsContact C-N 3.32Å; L556-H558 PolarHBondContact O-N 3.43Å; H558-K562 WeakPolarHBondContact O-CB 3.27Å; H558-K562 WeakPolarHBondContact O-CG 3.02Å; H558-K562 PolarHBondContact O-N 3.31Å
559I52.6Low52.1Low97 Ų97107.7 Ų107.750%0.49757%0.565SS.*Hα-helixtrans-78.2-43.6170.4-67.9164.9000110.5A555 L556 N557 K562 Q563A555-I559 WeakPolarHBondContact O-CG1 3.21Å; A555-I559 PolarHBondContact O-N 2.81Å; A555-I559 VanDerWaalsContact O-N 3.15Å; L556-I559 PolarHBondContact O-N 3.08Å; N557-I559 PolarHBondContact O-N 2.69Å; I559-K562 PolarHBondContact O-N 3.25Å; I559-Q563 PolarHBondContact O-N 3.41Å
560S55.4Low53Low66 Ų66106 Ų10646%0.46255%0.55SS..Hα-helixtrans-56.8-51.8175.9-168.60000111.4L556 N557 K562 Q563 Q564L556-S560 PolarHBondContact O-N 3.2Å; N557-S560 WeakPolarHBondContact O-CB 3.31Å; N557-S560 PolarHBondContact O-N 3.15Å; S560-K562 VanDerWaalsContact C-N 3.31Å; S560-K562 PolarHBondContact O-N 3.44Å; S560-Q563 PolarHBondContact O-N 3.32Å; S560-Q564 PolarHBondContact O-N 3.04Å
561D55.8Low53.8Low86 Ų86102.7 Ų102.746%0.4654%0.54SS..Hα-helixtrans-56.4-44.7178-61.1-25.3000111.4N557 Q563 Q564 V565N557-D561 VanDerWaalsContact O-CG 3.25Å; N557-D561 PolarHBondContact O-N 3.39Å; D561-Q563 VanDerWaalsContact C-N 3.33Å; D561-Q563 PolarHBondContact O-N 3.36Å; D561-Q564 PolarHBondContact O-N 3.34Å; D561-V565 WeakPolarHBondContact O-CB 3.16Å; D561-V565 WeakPolarHBondContact O-CG2 2.93Å; D561-V565 PolarHBondContact O-N 3.49Å
562K51.5Low54Low129 Ų129107.6 Ų107.656%0.56155%0.547SS*.Hα-helixtrans-68.1-28.4178.5-79.3178175.81720113.2H558 I559 S560 K566H558-K562 WeakPolarHBondContact O-CB 3.27Å; H558-K562 WeakPolarHBondContact O-CG 3.02Å; H558-K562 PolarHBondContact O-N 3.31Å; I559-K562 PolarHBondContact O-N 3.25Å; S560-K562 VanDerWaalsContact C-N 3.31Å; S560-K562 PolarHBondContact O-N 3.44Å; K562-K566 WeakPolarHBondContact O-CG 3.23Å; K562-K566 PolarHBondContact O-N 3.07Å
563Q48.3Very low54.5Low125 Ų125107.6 Ų107.658%0.58455%0.546SS*.Hα-helixtrans-75.6-38170-74.7-169.3-10.700112I559 S560 D561 K566 K567I559-Q563 PolarHBondContact O-N 3.41Å; S560-Q563 PolarHBondContact O-N 3.32Å; D561-Q563 VanDerWaalsContact C-N 3.33Å; D561-Q563 PolarHBondContact O-N 3.36Å; Q563-K566 PolarHBondContact O-N 3.24Å; Q563-K567 PolarHBondContact O-N 3.37Å
564Q54.7Low55Low134 Ų134108.6 Ų108.663%0.62655%0.547SS*.Hα-helixtrans-70.5-37.7-179.6-160.717112.200112.3S560 D561 K567 S568S560-Q564 PolarHBondContact O-N 3.04Å; D561-Q564 PolarHBondContact O-N 3.34Å; Q564-K567 PolarHBondContact O-N 2.96Å; Q564-S568 WeakPolarHBondContact O-CB 3.3Å; Q564-S568 PolarHBondContact O-N 3.17Å; Q564-S568 PolarHBondContact O-OG 2.91Å
565V57Low55.4Low99 Ų99107 Ų10760%0.654%0.542SS*.Hα-helixtrans-63.4-39.8169.7171.30000111.2D561 S568 A569D561-V565 WeakPolarHBondContact O-CB 3.16Å; D561-V565 WeakPolarHBondContact O-CG2 2.93Å; D561-V565 PolarHBondContact O-N 3.49Å; V565-S568 WeakPolarHBondContact CA-OG 3.33Å; V565-S568 PolarHBondContact O-OG 3.28Å; V565-S568 VanDerWaalsContact O-OG 3.14Å; V565-A569 WeakPolarHBondContact O-CB 3.33Å; V565-A569 PolarHBondContact O-N 3.29Å; V565-A569 VanDerWaalsContact O-N 3.08Å
566K54.1Low56.1Low158 Ų158112.2 Ų112.269%0.68756%0.557SS**Hα-helixtrans-68.2-43.9175.9-78.3-177.9175.1-171.90112.8K562 Q563 A569 V570K562-K566 WeakPolarHBondContact O-CG 3.23Å; K562-K566 PolarHBondContact O-N 3.07Å; Q563-K566 PolarHBondContact O-N 3.24Å; K566-A569 PolarHBondContact O-N 3.41Å; K566-V570 WeakPolarHBondContact O-CG2 3.26Å; K566-V570 PolarHBondContact O-N 3Å; K566-V570 VanDerWaalsContact O-N 3.08Å
567K57.9Low56.7Low149 Ų149111.5 Ų111.565%0.64855%0.553SS**Hα-helixtrans-61.1-46.7175.1-79-173.1173-176.70111.9Q563 Q564 A569 V570 N571Q563-K567 PolarHBondContact O-N 3.37Å; Q564-K567 PolarHBondContact O-N 2.96Å; K567-A569 VanDerWaalsContact C-N 3.29Å; K567-A569 PolarHBondContact O-N 3.09Å; K567-V570 PolarHBondContact O-N 2.88Å; K567-N571 PolarHBondContact O-N 3.15Å; K567-N571 PolarHBondContact O-OD1 3.32Å
568S50.7Low57.1Low55 Ų55109.4 Ų109.439%0.38555%0.547SS..Hα-helixtrans-66.1-28.3178.852.90000113.7Q564 V565 R572Q564-S568 WeakPolarHBondContact O-CB 3.3Å; Q564-S568 PolarHBondContact O-N 3.17Å; Q564-S568 PolarHBondContact O-OG 2.91Å; V565-S568 WeakPolarHBondContact CA-OG 3.33Å; V565-S568 PolarHBondContact O-OG 3.28Å; V565-S568 VanDerWaalsContact O-OG 3.14Å; S568-R572 WeakPolarHBondContact O-CB 3.35Å; S568-R572 WeakPolarHBondContact O-CD 3.48Å; S568-R572 VanDerWaalsContact O-CG 3.29Å; S568-R572 WeakPolarHBondContact O-CG 3.49Å; S568-R572 PolarHBondContact O-N 2.95Å
569A57.8Low57.7Low55 Ų55111.3 Ų111.346%0.45556%0.556SS.*Hα-helixtrans-67.8-45.5169.500000112.5V565 K566 K567 R572 Q573V565-A569 WeakPolarHBondContact O-CB 3.33Å; V565-A569 PolarHBondContact O-N 3.29Å; V565-A569 VanDerWaalsContact O-N 3.08Å; K566-A569 PolarHBondContact O-N 3.41Å; K567-A569 VanDerWaalsContact C-N 3.29Å; K567-A569 PolarHBondContact O-N 3.09Å; A569-R572 PolarHBondContact O-N 3.27Å; A569-Q573 PolarHBondContact O-N 3.4Å
570V63Low58Low84 Ų84112.4 Ų112.451%0.50956%0.562SS.*Hα-helixtrans-63.3-48.9178.2172.60000111.3K566 K567 R572 Q573 E574K566-V570 WeakPolarHBondContact O-CG2 3.26Å; K566-V570 PolarHBondContact O-N 3Å; K566-V570 VanDerWaalsContact O-N 3.08Å; K567-V570 PolarHBondContact O-N 2.88Å; V570-R572 VanDerWaalsContact C-N 3.3Å; V570-R572 PolarHBondContact O-N 3.33Å; V570-Q573 WeakPolarHBondContact O-CA 3.38Å; V570-Q573 WeakPolarHBondContact O-CB 3.5Å; V570-Q573 PolarHBondContact O-N 3.06Å; V570-E574 PolarHBondContact O-N 3.32Å
571N59.2Low58.2Low94 Ų94117.9 Ų117.950%0.50357%0.573SS.*Hα-helixtrans-56.9-42.5179.2-70.532.9000112.1K567 Q573 E574 E575K567-N571 PolarHBondContact O-N 3.15Å; K567-N571 PolarHBondContact O-OD1 3.32Å; N571-Q573 PolarHBondContact O-N 3.01Å; N571-E574 PolarHBondContact O-N 2.96Å; N571-E575 PolarHBondContact O-N 3.2Å
572R58.5Low58.1Low173 Ų173116.1 Ų116.165%0.65357%0.57SS**Hα-helixtrans-66.2-21.4175.7-76.7174.6172.8-179.9-0.9114S568 A569 V570 K576S568-R572 WeakPolarHBondContact O-CB 3.35Å; S568-R572 WeakPolarHBondContact O-CD 3.48Å; S568-R572 VanDerWaalsContact O-CG 3.29Å; S568-R572 WeakPolarHBondContact O-CG 3.49Å; S568-R572 PolarHBondContact O-N 2.95Å; A569-R572 PolarHBondContact O-N 3.27Å; V570-R572 VanDerWaalsContact C-N 3.3Å; V570-R572 PolarHBondContact O-N 3.33Å; R572-K576 WeakPolarHBondContact O-CG 3.42Å
573Q58.5Low58.2Low133 Ų133111.8 Ų111.862%0.62156%0.562SS**Hα-helixtrans-85.6-35.1176.2-155.1165.8-1.800110.3A569 V570 N571 K576 L577A569-Q573 PolarHBondContact O-N 3.4Å; V570-Q573 WeakPolarHBondContact O-CA 3.38Å; V570-Q573 WeakPolarHBondContact O-CB 3.5Å; V570-Q573 PolarHBondContact O-N 3.06Å; N571-Q573 PolarHBondContact O-N 3.01Å; Q573-K576 PolarHBondContact O-N 3.1Å; Q573-L577 WeakPolarHBondContact O-CG 3.44Å; Q573-L577 PolarHBondContact O-N 3.35Å; Q573-L577 VanDerWaalsContact O-N 3.16Å
574E59.6Low58.4Low127 Ų127110.6 Ų110.659%0.59356%0.563SS**Hα-helixtrans-69.5-42173.7-166.3163.8-159.800112.6V570 N571 K576 L577 S578V570-E574 PolarHBondContact O-N 3.32Å; N571-E574 PolarHBondContact O-N 2.96Å; E574-K576 VanDerWaalsContact C-N 3.31Å; E574-K576 PolarHBondContact O-N 3.05Å; E574-L577 PolarHBondContact O-N 3.22Å; E574-L577 VanDerWaalsContact O-N 3.13Å; E574-S578 PolarHBondContact O-N 3.4Å
575E63.1Low58.1Low117 Ų117110.1 Ų110.155%0.54756%0.564SS.*Hα-helixtrans-57.6-40.5170.5-80.3-179.1131.700112.6N571 L577 S578 H579N571-E575 PolarHBondContact O-N 3.2Å; E575-L577 VanDerWaalsContact C-N 3.32Å; E575-L577 PolarHBondContact O-N 3.38Å; E575-S578 PolarHBondContact O-N 2.77Å; E575-S578 PolarHBondContact O-OG 3.44Å; E575-H579 PolarHBondContact O-CD2 2.97Å; E575-H579 VanDerWaalsContact O-CD2 3.29Å; E575-H579 PolarHBondContact O-N 2.82Å
576K65.8Low57.6Low152 Ų152112 Ų11266%0.66157%0.571SS**Hα-helixtrans-66.3-36.8176.6-75.1177.3178.9-172.90111.7R572 Q573 E574 L580R572-K576 WeakPolarHBondContact O-CG 3.42Å; Q573-K576 PolarHBondContact O-N 3.1Å; E574-K576 VanDerWaalsContact C-N 3.31Å; E574-K576 PolarHBondContact O-N 3.05Å; K576-L580 WeakPolarHBondContact O-CB 3.34Å; K576-L580 WeakPolarHBondContact O-CD1 3.34Å; K576-L580 VanDerWaalsContact O-CG 3.26Å; K576-L580 WeakPolarHBondContact O-CG 3.42Å; K576-L580 PolarHBondContact O-N 3.34Å; K576-L580 VanDerWaalsContact O-N 3.08Å
577L62.7Low57.2Low92 Ų92111 Ų11148%0.48257%0.572SS.*Hα-helixtrans-72.9-33.3176.3-70.7169.2000112.7Q573 E574 E575 R581Q573-L577 WeakPolarHBondContact O-CG 3.44Å; Q573-L577 PolarHBondContact O-N 3.35Å; Q573-L577 VanDerWaalsContact O-N 3.16Å; E574-L577 PolarHBondContact O-N 3.22Å; E574-L577 VanDerWaalsContact O-N 3.13Å; E575-L577 VanDerWaalsContact C-N 3.32Å; E575-L577 PolarHBondContact O-N 3.38Å; L577-R581 VanDerWaalsContact O-CG 3.28Å; L577-R581 WeakPolarHBondContact O-CG 3.42Å; L577-R581 PolarHBondContact O-N 3.38Å
578S60Low56.2Low67 Ų67113.1 Ų113.147%0.46958%0.576SS.*Hα-helixtrans-70.4-42.9174.568.20000111.9E574 E575 L580 R581 A582E574-S578 PolarHBondContact O-N 3.4Å; E575-S578 PolarHBondContact O-N 2.77Å; E575-S578 PolarHBondContact O-OG 3.44Å; S578-L580 PolarHBondContact O-N 2.67Å; S578-R581 PolarHBondContact O-N 3.05Å; S578-A582 PolarHBondContact O-N 2.97Å
579H65.9Low55.5Low145 Ų145117.4 Ų117.467%0.67160%0.595SS**Hα-helixtrans-60.2-42.2172.4-85.4-68.6000112.7E575 A582 G583E575-H579 PolarHBondContact O-CD2 2.97Å; E575-H579 VanDerWaalsContact O-CD2 3.29Å; E575-H579 PolarHBondContact O-N 2.82Å; H579-A582 PolarHBondContact O-N 3.35Å; H579-G583 PolarHBondContact O-N 3.24Å
580L58.7Low54.4Low120 Ų120122.7 Ų122.763%0.62862%0.616SS**Hα-helixtrans-63.7-40.4175.2-76.2167.1000112.2K576 S578 G583 V584K576-L580 WeakPolarHBondContact O-CB 3.34Å; K576-L580 WeakPolarHBondContact O-CD1 3.34Å; K576-L580 VanDerWaalsContact O-CG 3.26Å; K576-L580 WeakPolarHBondContact O-CG 3.42Å; K576-L580 PolarHBondContact O-N 3.34Å; K576-L580 VanDerWaalsContact O-N 3.08Å; S578-L580 PolarHBondContact O-N 2.67Å; L580-G583 PolarHBondContact O-N 2.97Å; L580-V584 WeakPolarHBondContact O-CG2 3.44Å; L580-V584 PolarHBondContact O-N 3.05Å
581R58.7Low53.5Low181 Ų181124.5 Ų124.568%0.68363%0.631SS**Hα-helixtrans-64.2-42.8175.1-74.4171.1-178.7179.71.8112.1L577 S578 G583 V584 I585L577-R581 VanDerWaalsContact O-CG 3.28Å; L577-R581 WeakPolarHBondContact O-CG 3.42Å; L577-R581 PolarHBondContact O-N 3.38Å; S578-R581 PolarHBondContact O-N 3.05Å; R581-G583 PolarHBondContact O-N 3.44Å; R581-V584 PolarHBondContact O-N 3.46Å; R581-I585 WeakPolarHBondContact O-CG1 3.5Å; R581-I585 PolarHBondContact O-N 3.44Å; R581-I585 VanDerWaalsContact O-N 3.15Å
582A54.9Low52.5Low50 Ų50126.1 Ų126.141%0.41364%0.644SS.*Hα-helixtrans-61.9-42.1175.900000112.3S578 H579 V584 I585 N586S578-A582 PolarHBondContact O-N 2.97Å; H579-A582 PolarHBondContact O-N 3.35Å; A582-V584 VanDerWaalsContact C-N 3.27Å; A582-V584 PolarHBondContact O-N 3.44Å; A582-I585 PolarHBondContact O-N 3.41Å; A582-N586 PolarHBondContact O-N 3.48Å
583G53.7Low51.3Low38 Ų38129.2 Ų129.239%0.39266%0.657SS.*Hα-helixtrans-64.2-26.9176.500000114.5H579 L580 R581 N587H579-G583 PolarHBondContact O-N 3.24Å; L580-G583 PolarHBondContact O-N 2.97Å; R581-G583 PolarHBondContact O-N 3.44Å; G583-N587 PolarHBondContact O-ND2 3.27Å
584V51.5Low50.1Low100 Ų100130.6 Ų130.661%0.60667%0.669SS**Hα-helixtrans-81.5-32.3175.7170.90000112.3L580 R581 A582L580-V584 WeakPolarHBondContact O-CG2 3.44Å; L580-V584 PolarHBondContact O-N 3.05Å; R581-V584 PolarHBondContact O-N 3.46Å; A582-V584 VanDerWaalsContact C-N 3.27Å; A582-V584 PolarHBondContact O-N 3.44Å
585I48.8Very low48.9Very low124 Ų124134 Ų13464%0.63668%0.682SS**Hα-helixtrans-70.7-41.6179-68.2165.6000111.1R581 A582 N587R581-I585 WeakPolarHBondContact O-CG1 3.5Å; R581-I585 PolarHBondContact O-N 3.44Å; R581-I585 VanDerWaalsContact O-N 3.15Å; A582-I585 PolarHBondContact O-N 3.41Å; I585-N587 PolarHBondContact O-N 3.14Å; I585-N587 VanDerWaalsContact O-N 3.16Å
586N45.8Very low47.8Very low139 Ų139136.1 Ų136.174%0.74370%0.695SS**THydrogen-bonded Turntrans-75.93.8-179.4-72.111.9000114.8A582A582-N586 PolarHBondContact O-N 3.48Å
587N45.5Very low46.1Very low135 Ų135136 Ų13672%0.72270%0.702SS**THydrogen-bonded Turntrans-122.529.6-179.5-76.5-72.5000112.7G583 I585G583-N587 PolarHBondContact O-ND2 3.27Å; I585-N587 PolarHBondContact O-N 3.14Å; I585-N587 VanDerWaalsContact O-N 3.16Å
588R37.4Very low44.7Very low194 Ų194139.4 Ų139.473%0.73272%0.72SS**SBendtrans-120.5110.5166.3-83.2-173.1168.3-178.8-5.2111.2
589D35.3Very low43.6Very low146 Ų146142.7 Ų142.778%0.78174%0.737SS**  trans56.682.3141.8-45.3-42.3000117.1
590D34.8Very low42Very low166 Ų166144.4 Ų144.489%0.88875%0.745SS**  trans-136.947.3160.6-143.5-3.1000111.8
591C44.3Very low40.7Very low121 Ų121146 Ų14682%0.81875%0.754SS**SBendtrans-163.1156.8164.9-1090000112.1
592V39.4Very low39.5Very low128 Ų128147.8 Ų147.878%0.77679%0.785SS**SBendtrans68.965.9176.7-161.10000115.7
593Y32.6Very low38.7Very low238 Ų238152.7 Ų152.793%0.93380%0.803SS**  trans-158.671141.5-94.5-61.7000111.4
594D33.5Very low37.9Very low163 Ų163158.7 Ų158.787%0.87283%0.825SS**  trans-154.737.2171.2-136.2-7.4000114.8
595K34.8Very low37.2Very low198 Ų198161.9 Ų161.986%0.86184%0.837SS**  trans-147.161.1175.2-74.5-165.7177.9176.70114.2
596I38.9Very low36.5Very low161 Ų161164.2 Ų164.283%0.82685%0.849SS**SBendtrans-157.1104.6145.5-82.8121.6000106.7
597N31.4Very low35.9Very low150 Ų150165.8 Ų165.880%0.80286%0.855SS**  trans157.295.6149.7-87.2-17.2000110.1
598N32.5Very low35.3Very low164 Ų164167.8 Ų167.888%0.87786%0.864SS**  trans-175.661.1149.4-98.8-37.9000110.4
599V37.2Very low35.1Very low136 Ų136165.9 Ų165.982%0.82487%0.874SS**  trans-138.775.2163.9-173.20000108.6
600H31.7Very low35.1Very low181 Ų181167.5 Ų167.584%0.83888%0.881SS**SBendtrans-158.4161143.4-105.955.2000107.9
601L32.2Very low35.2Very low154 Ų154167.6 Ų167.681%0.80688%0.88SS**  trans-91169.9-159.1-79.874.1000114.5
602T33.3Very low34.3Very low217 Ų217171.8 Ų171.8100%1.33189%0.886SS**  trans67.30168.151.50000117.4

Retrieved 602 of 602 residues in 316.9 ms (Link to these results)

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