V5WB23_SCHMA Loading...

Acetylcholine-gated chloride channel subunit

AlphaFold DB , UniProt , Accession V5WB23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene ACC-2, Length 508 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
1M87.3Confident92.3Very high136 Ų13681 Ų8167%0.6739%0.388SS*.  0-67.50-64.9-59.8-86.900111.1K3 S4 L5 I76M1-K3 PolarHBondContact O-N 3.49Å; M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 2.95Å; M1-I76 HydrophobicContact CB-CD1 4.09Å
2E91.1Very high92.3Very high95 Ų9581.7 Ų81.744%0.44438%0.384SS..Hα-helixtrans-54-50.3-178.3-165.8-171.9163.700113.8S4 L5 I6 I76 L79E2-S4 PolarHBondContact O-N 2.93Å; E2-L5 WeakPolarHBondContact O-CB 3.14Å; E2-L5 PolarHBondContact O-N 3.07Å; E2-L5 VanDerWaalsContact O-N 3.1Å; E2-I6 HydrophobicContact CG-CD1 4.06Å; E2-I6 WeakPolarHBondContact O-CG1 3.42Å; E2-I6 PolarHBondContact O-N 3.36Å; E2-I76 HydrophobicContact CB-CD1 3.75Å; E2-I76 HydrophobicContact CG-CD1 4.28Å; E2-L79 HydrophobicContact CG-CD2 3.55Å
3K91.2Very high92.4Very high180 Ų18075.5 Ų75.578%0.78336%0.355SS*.Hα-helixtrans-56.3-36.8176.6-66.5-176.2179.7179.60113.2M1 R7M1-K3 PolarHBondContact O-N 3.49Å; K3-R7 PolarHBondContact O-N 3.06Å; K3-R7 VanDerWaalsContact O-N 3.11Å
4S91.4Very high92.3Very high67 Ų6781.9 Ų81.947%0.46938%0.381SS..Hα-helixtrans-71-42.6178.1-48.60000110.9M1 E2 R7 V8M1-S4 WeakPolarHBondContact O-CB 3.44Å; M1-S4 PolarHBondContact O-N 3.36Å; E2-S4 PolarHBondContact O-N 2.93Å; S4-R7 PolarHBondContact O-N 3.09Å; S4-V8 WeakPolarHBondContact O-CG2 3.48Å; S4-V8 PolarHBondContact O-N 3.39Å
5L93.3Very high92.1Very high0 Ų087.3 Ų87.30%041%0.406CS..Hα-helixtrans-60.5-48.2175.2175.558.3000111.4M1 E2 R7 V8 I9 W68 Y73 I76 L79M1-L5 PolarHBondContact O-N 2.95Å; E2-L5 WeakPolarHBondContact O-CB 3.14Å; E2-L5 PolarHBondContact O-N 3.07Å; E2-L5 VanDerWaalsContact O-N 3.1Å; L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 2.71Å; L5-V8 PolarHBondContact O-N 3.33Å; L5-I9 HydrophobicContact CD1-CD1 3.48Å; L5-I9 VanDerWaalsContact CD1-CD1 3.48Å; L5-I9 HydrophobicContact CD1-CG1 3.88Å; L5-I9 HydrophobicContact CG-CD1 3.84Å; L5-I9 WeakPolarHBondContact O-CB 3.27Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å; L5-W68 HydrophobicContact CD1-CB 4.23Å; L5-W68 HydrophobicContact CD1-CG 4.06Å; L5-W68 HydrophobicContact CD2-CD2 4.29Å; L5-W68 HydrophobicContact CD2-CG 4.25Å; L5-Y73 HydrophobicContact CB-CD1 3.82Å; L5-Y73 HydrophobicContact CB-CE1 4.23Å; L5-Y73 HydrophobicContact CB-CG 4.24Å; L5-Y73 HydrophobicContact CD1-CD1 3.74Å; L5-Y73 HydrophobicContact CD1-CD2 3.65Å; L5-Y73 HydrophobicContact CD1-CE1 3.74Å; L5-Y73 HydrophobicContact CD1-CE2 3.66Å; L5-Y73 HydrophobicContact CD1-CG 3.68Å; L5-Y73 HydrophobicContact CD2-CD1 4.47Å; L5-Y73 HydrophobicContact CD2-CD2 4.44Å; L5-Y73 HydrophobicContact CD2-CG 4.04Å; L5-Y73 HydrophobicContact CG-CD1 4.22Å; L5-Y73 HydrophobicContact CG-CG 4.21Å; L5-I76 HydrophobicContact CD2-CB 4.29Å; L5-I76 HydrophobicContact CD2-CG2 4.1Å; L5-L79 HydrophobicContact CD2-CD1 3.78Å; L5-L79 HydrophobicContact CD2-CD2 4.09Å; L5-L79 HydrophobicContact CD2-CG 4.24Å; L5-L79 HydrophobicContact CG-CD1 3.82Å
6I93.4Very high91.8Very high38 Ų3888 Ų8820%0.19541%0.414CS..Hα-helixtrans-57.1-46.5176.6-68170000110.4E2 I9 L10 L79E2-I6 HydrophobicContact CG-CD1 4.06Å; E2-I6 WeakPolarHBondContact O-CG1 3.42Å; E2-I6 PolarHBondContact O-N 3.36Å; I6-I9 PolarHBondContact O-N 3.41Å; I6-L10 HydrophobicContact CG2-CD1 3.66Å; I6-L10 HydrophobicContact CG2-CG 4.22Å; I6-L10 WeakPolarHBondContact O-CB 3.3Å; I6-L10 VanDerWaalsContact O-CG 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.44Å; I6-L10 PolarHBondContact O-N 3.45Å; I6-L79 HydrophobicContact CD1-CD2 4.18Å; I6-L79 HydrophobicContact CG1-CD1 4.27Å; I6-L79 HydrophobicContact CG1-CD2 3.78Å; I6-L79 HydrophobicContact CG1-CG 4.49Å
7R93.4Very high91.3Very high166 Ų16684.6 Ų84.663%0.62641%0.408SS*.Hα-helixtrans-59.5-49.5178.6-173.1-177.7-63.1165.4-2.3111.8K3 S4 L5 I9 L10 E11K3-R7 PolarHBondContact O-N 3.06Å; K3-R7 VanDerWaalsContact O-N 3.11Å; S4-R7 PolarHBondContact O-N 3.09Å; L5-R7 VanDerWaalsContact C-N 3.31Å; L5-R7 PolarHBondContact O-N 2.71Å; R7-I9 PolarHBondContact O-N 2.78Å; R7-L10 PolarHBondContact O-N 2.99Å; R7-E11 HydrophobicContact CG-CG 4.5Å; R7-E11 VanDerWaalsContact CG-OE1 3.28Å; R7-E11 WeakPolarHBondContact CG-OE1 3.23Å; R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 WeakPolarHBondContact O-CG 3.33Å; R7-E11 PolarHBondContact O-N 3.45Å
8V92.9Very high90.9Very high66 Ų6682.8 Ų82.840%0.440%0.403SS..Hα-helixtrans-62-45.3-179.7170.80000111.6S4 L5 R12S4-V8 WeakPolarHBondContact O-CG2 3.48Å; S4-V8 PolarHBondContact O-N 3.39Å; L5-V8 PolarHBondContact O-N 3.33Å; V8-R12 WeakPolarHBondContact O-CB 3.4Å; V8-R12 PolarHBondContact O-N 3.16Å
9I93.1Very high90.5Very high3 Ų386.1 Ų86.12%0.01543%0.428CS..Hα-helixtrans-63.9-46.4179.5-74176.5000110.8L5 I6 R7 R12 Y13 L66 W68 L79L5-I9 HydrophobicContact CD1-CD1 3.48Å; L5-I9 VanDerWaalsContact CD1-CD1 3.48Å; L5-I9 HydrophobicContact CD1-CG1 3.88Å; L5-I9 HydrophobicContact CG-CD1 3.84Å; L5-I9 WeakPolarHBondContact O-CB 3.27Å; L5-I9 WeakPolarHBondContact O-CG1 3.38Å; L5-I9 PolarHBondContact O-N 3.4Å; I6-I9 PolarHBondContact O-N 3.41Å; R7-I9 PolarHBondContact O-N 2.78Å; I9-R12 PolarHBondContact O-N 3.14Å; I9-Y13 WeakPolarHBondContact O-CB 3.25Å; I9-Y13 PolarHBondContact O-N 3.07Å; I9-L66 HydrophobicContact CG2-CD2 3.31Å; I9-W68 HydrophobicContact CD1-CB 4.27Å; I9-W68 HydrophobicContact CD1-CD2 3.95Å; I9-W68 HydrophobicContact CD1-CE3 3.56Å; I9-W68 HydrophobicContact CD1-CG 4.27Å; I9-W68 HydrophobicContact CD1-CZ3 4.21Å; I9-L79 HydrophobicContact CD1-CD1 3.67Å
10L94Very high90.2Very high31 Ų3183.4 Ų83.416%0.16242%0.423CS..Hα-helixtrans-69.1-36.3-178.7-69.2180000112.6I6 R7 Y13 K14 I81 Q85 I86I6-L10 HydrophobicContact CG2-CD1 3.66Å; I6-L10 HydrophobicContact CG2-CG 4.22Å; I6-L10 WeakPolarHBondContact O-CB 3.3Å; I6-L10 VanDerWaalsContact O-CG 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.44Å; I6-L10 PolarHBondContact O-N 3.45Å; R7-L10 PolarHBondContact O-N 2.99Å; L10-Y13 PolarHBondContact O-N 3.04Å; L10-K14 WeakPolarHBondContact O-CB 3.37Å; L10-K14 PolarHBondContact O-N 3.24Å; L10-I81 HydrophobicContact CD2-CD1 4.39Å; L10-I81 HydrophobicContact CD2-CG2 3.92Å; L10-Q85 HydrophobicContact CD2-CB 3.93Å; L10-I86 HydrophobicContact CD2-CG2 4.05Å
11E93.9Very high90.2Very high109 Ų10981.1 Ų81.151%0.50941%0.409SS..Hα-helixtrans-63.7-46.1172.7-77.9172.8-170.100111.2R7 Y13 K14 Q15R7-E11 HydrophobicContact CG-CG 4.5Å; R7-E11 VanDerWaalsContact CG-OE1 3.28Å; R7-E11 WeakPolarHBondContact CG-OE1 3.23Å; R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 WeakPolarHBondContact O-CG 3.33Å; R7-E11 PolarHBondContact O-N 3.45Å; E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 3.22Å; E11-K14 PolarHBondContact O-N 3.05Å; E11-Q15 WeakPolarHBondContact O-CG 3.44Å; E11-Q15 PolarHBondContact O-N 3Å
12R92.3Very high90.4Very high89 Ų8974.8 Ų74.834%0.33638%0.378SS..Hα-helixtrans-60-42.5174.2-175.9-179.469.7-173.41.3111.8V8 I9 Q15 N16 L65 K67V8-R12 WeakPolarHBondContact O-CB 3.4Å; V8-R12 PolarHBondContact O-N 3.16Å; I9-R12 PolarHBondContact O-N 3.14Å; R12-Q15 PolarHBondContact O-N 2.77Å; R12-N16 PolarHBondContact O-N 3.29Å; R12-N16 VanDerWaalsContact O-N 3.07Å; R12-L65 PolarHBondContact NE-O 3.27Å; R12-L65 PolarHBondContact NH2-O 2.93Å; R12-K67 PolarHBondContact NH1-O 2.89Å; R12-K67 PolarHBondContact NH2-O 3.39Å
13Y93.5Very high90.3Very high2 Ų271.6 Ų71.61%0.00837%0.365CS..Hα-helixtrans-63.1-44.7177.9-157-88.4000111.4I9 L10 E11 Q15 N16 G17 V18 D63 L65 L66 I86 W87I9-Y13 WeakPolarHBondContact O-CB 3.25Å; I9-Y13 PolarHBondContact O-N 3.07Å; L10-Y13 PolarHBondContact O-N 3.04Å; E11-Y13 VanDerWaalsContact C-N 3.33Å; E11-Y13 PolarHBondContact O-N 3.22Å; Y13-Q15 VanDerWaalsContact C-N 3.31Å; Y13-Q15 PolarHBondContact O-N 3.46Å; Y13-N16 PolarHBondContact O-N 3.08Å; Y13-G17 CarbonylContact O-C 3.59Å; Y13-G17 PolarHBondContact O-N 2.66Å; Y13-V18 HydrophobicContact CD1-CG2 4.23Å; Y13-V18 HydrophobicContact CE1-CB 4.47Å; Y13-V18 HydrophobicContact CE1-CG1 4.29Å; Y13-D63 VanDerWaalsContact CE2-OD2 3.25Å; Y13-D63 WeakPolarHBondContact CE2-OD2 3.22Å; Y13-D63 PolarHBondContact OH-OD2 2.84Å; Y13-L65 HydrophobicContact CD2-CB 3.77Å; Y13-L65 HydrophobicContact CD2-CD1 4.32Å; Y13-L65 HydrophobicContact CE2-CB 3.76Å; Y13-L65 HydrophobicContact CE2-CD1 4.02Å; Y13-L65 HydrophobicContact CE2-CG 4.46Å; Y13-L66 HydrophobicContact CD2-CD2 3.52Å; Y13-L66 HydrophobicContact CD2-CG 3.85Å; Y13-L66 HydrophobicContact CE2-CD1 4.08Å; Y13-L66 HydrophobicContact CE2-CD2 3.91Å; Y13-L66 HydrophobicContact CE2-CG 3.73Å; Y13-L66 HydrophobicContact CG-CD2 4.38Å; Y13-I86 HydrophobicContact CD1-CB 4.32Å; Y13-I86 HydrophobicContact CD1-CG2 4.14Å; Y13-I86 HydrophobicContact CD2-CG2 4.43Å; Y13-I86 VanDerWaalsContact CE1-CA 3.5Å; Y13-I86 HydrophobicContact CE1-CB 3.79Å; Y13-I86 HydrophobicContact CE1-CG2 4.1Å; Y13-I86 HydrophobicContact CE2-CB 4.38Å; Y13-I86 HydrophobicContact CE2-CG2 4.37Å; Y13-I86 HydrophobicContact CG-CG2 4.3Å; Y13-W87 WeakPolarHBondContact OH-CB 3.29Å; Y13-W87 PolarHBondContact OH-N 3.05Å
14K91.4Very high90Very high165 Ų16569.6 Ų69.672%0.71736%0.363SS*.Hα-helixtrans-62.5-36.9177-171.8178.9179.6-177.90112.4L10 E11L10-K14 WeakPolarHBondContact O-CB 3.37Å; L10-K14 PolarHBondContact O-N 3.24Å; E11-K14 PolarHBondContact O-N 3.05Å
15Q89.9Confident89.9Confident162 Ų16270.3 Ų70.376%0.75736%0.362SS*.Hα-helixtrans-67.5-40.6175.8-73.3174.8-1.200112.6E11 R12 Y13 G17E11-Q15 WeakPolarHBondContact O-CG 3.44Å; E11-Q15 PolarHBondContact O-N 3Å; R12-Q15 PolarHBondContact O-N 2.77Å; Y13-Q15 VanDerWaalsContact C-N 3.31Å; Y13-Q15 PolarHBondContact O-N 3.46Å; Q15-G17 VanDerWaalsContact C-N 3.32Å
16N87.4Confident89.6Confident99 Ų9974.7 Ų74.753%0.52939%0.392SS..Hα-helixtrans-74.5-24178.1-70.4-19.8000113.1R12 Y13 L65R12-N16 PolarHBondContact O-N 3.29Å; R12-N16 VanDerWaalsContact O-N 3.07Å; Y13-N16 PolarHBondContact O-N 3.08Å; N16-L65 HydrophobicContact CB-CD1 4.12Å
17G83Confident89.4Confident31 Ų3183.5 Ų83.532%0.3242%0.423SS..  trans112.7128178.800000111.8Y13 Q15Y13-G17 CarbonylContact O-C 3.59Å; Y13-G17 PolarHBondContact O-N 2.66Å; Q15-G17 VanDerWaalsContact C-N 3.32Å
18V84Confident89.3Confident51 Ų5179.3 Ų79.331%0.30942%0.415SS..SBendtrans-80.2-23.3177.3-171.10000111.5Y13Y13-V18 HydrophobicContact CD1-CG2 4.23Å; Y13-V18 HydrophobicContact CE1-CB 4.47Å; Y13-V18 HydrophobicContact CE1-CG1 4.29Å
19V82.4Confident89.3Confident145 Ų14580.2 Ų80.288%0.87941%0.414SS*.SBendtrans-98.5128.6-174.3-176.50000109.9
20G84.5Confident89.3Confident32 Ų3280.5 Ų80.533%0.3342%0.416SS..SBendtrans108.8160.2-177.900000112.4W87G20-W87 PolarHBondContact O-NE1 3.26Å
21R91.2Very high89.4Confident37 Ų3781.9 Ų81.914%0.1443%0.425CS..  trans-60.6136.1-177.7-66179.8-65.4129.18.2110.3V23 S26 V28 M30 W87 Y152 Q156R21-V23 HydrophobicContact CB-CG2 4.14Å; R21-V23 PolarHBondContact O-N 3.06Å; R21-S26 PolarHBondContact NH2-O 3.23Å; R21-V28 PolarHBondContact NH1-O 2.96Å; R21-M30 HydrophobicContact CB-CG 4.08Å; R21-M30 HydrophobicContact CG-CG 4.37Å; R21-W87 HydrophobicContact CG-CZ2 4.17Å; R21-Y152 HydrophobicContact CG-CD1 4.09Å; R21-Y152 HydrophobicContact CG-CE1 3.52Å; R21-Y152 HydrophobicContact CG-CE2 4.44Å; R21-Q156 VanDerWaalsContact CD-O 3.32Å; R21-Q156 WeakPolarHBondContact CD-O 3.4Å; R21-Q156 PolarHBondContact NH1-O 3.38Å
22P91.1Very high89.6Confident3 Ų376.7 Ų76.72%0.01940%0.401CS..  trans-80.864.9-177.233.7-37.1000111.3M30 D63 S64 W87P22-M30 HydrophobicContact CG-CE 3.78Å; P22-M30 HydrophobicContact CG-SD 4.41Å; P22-D63 HydrophobicContact CB-CB 4.11Å; P22-D63 WeakPolarHBondContact CB-OD1 3.24Å; P22-D63 WeakPolarHBondContact CB-OD2 3.49Å; P22-D63 HydrophobicContact CG-CB 4.13Å; P22-D63 WeakPolarHBondContact CG-OD2 3.3Å; P22-S64 PolarHBondContact O-OG 3.5Å; P22-W87 VanDerWaalsContact CD-CD2 3.42Å; P22-W87 HydrophobicContact CG-CD2 4.12Å; P22-W87 HydrophobicContact CG-CE3 3.61Å; P22-W87 HydrophobicContact CG-CZ3 4.06Å
23V88.9Confident89.8Confident28 Ų2874.4 Ų74.417%0.1739%0.394CS..  trans-119.9138.7179.6-67.40000110.1R21 N25 V28 M30R21-V23 HydrophobicContact CB-CG2 4.14Å; R21-V23 PolarHBondContact O-N 3.06Å; V23-N25 VanDerWaalsContact CG2-O 3.26Å; V23-N25 WeakPolarHBondContact CG2-O 3.48Å; V23-N25 PolarHBondContact O-N 3.08Å; V23-V28 HydrophobicContact CB-CB 4.31Å; V23-V28 HydrophobicContact CG1-CB 4.25Å; V23-V28 HydrophobicContact CG1-CG1 4.23Å; V23-M30 HydrophobicContact CG1-CG 3.57Å; V23-M30 HydrophobicContact CG1-SD 3.28Å; V23-M30 WeakPolarHBondContact CG1-SD 3.45Å
24N85.5Confident90Very high137 Ų13774.3 Ų74.373%0.73339%0.393SS*.SBendtrans-64.8-26.2174.5-702.7000112.6S64N24-S64 WeakPolarHBondContact OD1-CB 3.13Å; N24-S64 PolarHBondContact OD1-OG 3.07Å
25N88.7Confident90.2Very high83 Ų8366.6 Ų66.644%0.44436%0.361SS..SBendtrans-134.8129.4179.3-177.9-19.9000109.4V23 R27 V28V23-N25 VanDerWaalsContact CG2-O 3.26Å; V23-N25 WeakPolarHBondContact CG2-O 3.48Å; V23-N25 PolarHBondContact O-N 3.08Å; N25-R27 PolarHBondContact O-N 3.31Å; N25-R27 VanDerWaalsContact O-N 3.09Å; N25-R27 PolarHBondContact OD1-N 3.19Å; N25-V28 HydrophobicContact CB-CG2 4.09Å; N25-V28 WeakPolarHBondContact O-CB 3.47Å; N25-V28 PolarHBondContact O-N 3.4Å
26S87.1Confident90.5Very high91 Ų9159 Ų5964%0.63633%0.325SS*.THydrogen-bonded Turntrans-60.2-20.4-178.158.80000114.1R21 V28R21-S26 PolarHBondContact NH2-O 3.23Å; S26-V28 VanDerWaalsContact C-N 3.32Å
27R89.2Confident90.9Very high224 Ų22455.7 Ų55.785%0.84531%0.307SS*.THydrogen-bonded Turntrans-75.5-17.9174.7-63.1-175.4-177.6-178.20.6113.8N25 K29N25-R27 PolarHBondContact O-N 3.31Å; N25-R27 VanDerWaalsContact O-N 3.09Å; N25-R27 PolarHBondContact OD1-N 3.19Å; R27-K29 PolarHBondContact O-N 3.02Å
28V91.8Very high91.5Very high77 Ų7754.3 Ų54.347%0.46729%0.292SS..SBendtrans-75.6127.4-179.6177.80000108.7R21 V23 N25 S26R21-V28 PolarHBondContact NH1-O 2.96Å; V23-V28 HydrophobicContact CB-CB 4.31Å; V23-V28 HydrophobicContact CG1-CB 4.25Å; V23-V28 HydrophobicContact CG1-CG1 4.23Å; N25-V28 HydrophobicContact CB-CG2 4.09Å; N25-V28 WeakPolarHBondContact O-CB 3.47Å; N25-V28 PolarHBondContact O-N 3.4Å; S26-V28 VanDerWaalsContact C-N 3.32Å
29K92.7Very high92Very high85 Ų8553.1 Ų53.137%0.3728%0.284SS..PPolyproline II helixtrans-79.4132.4175-173.7-17573.7170.10109.5R27 K154 D158R27-K29 PolarHBondContact O-N 3.02Å; K29-K154 WeakPolarHBondContact CD-O 3.49Å; K29-D158 HydrophobicContact CD-CB 3.81Å; K29-D158 HydrophobicContact CG-CB 4.4Å; K29-D158 IonicContact NZ-OD2 2.65Å; K29-D158 PolarHBondContact NZ-OD2 3.5Å
30M93.9Very high92.6Very high10 Ų1049.6 Ų49.65%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-80.7137.8171.2-73.7-66.6-67.200109.7R21 P22 V23 W61 S62 W87 Q156 L157 D158R21-M30 HydrophobicContact CB-CG 4.08Å; R21-M30 HydrophobicContact CG-CG 4.37Å; P22-M30 HydrophobicContact CG-CE 3.78Å; P22-M30 HydrophobicContact CG-SD 4.41Å; V23-M30 HydrophobicContact CG1-CG 3.57Å; V23-M30 HydrophobicContact CG1-SD 3.28Å; V23-M30 WeakPolarHBondContact CG1-SD 3.45Å; M30-W61 HydrophobicContact CE-CB 4.45Å; M30-W61 HydrophobicContact CE-CG 4.46Å; M30-S62 WeakPolarHBondContact CE-O 3.48Å; M30-W87 HydrophobicContact CE-CH2 4.5Å; M30-W87 HydrophobicContact CE-CZ3 4.13Å; M30-Q156 PolarHBondContact N-O 3.49Å; M30-L157 CarbonylContact O-C 3.59Å; M30-L157 WeakPolarHBondContact O-CA 3.38Å; M30-D158 PolarHBondContact O-N 3.3Å
31V95.5Very high93.1Very high59 Ų5948.5 Ų48.536%0.35824%0.244SC..EExtended strand (participates in β ladder)trans-111.6122.6171.6179.70000107.8D158 D160V31-D158 HydrophobicContact CG2-CB 4.45Å; V31-D160 HydrophobicContact CG1-CB 4.38Å; V31-D160 WeakPolarHBondContact CG1-OD2 3.48Å
32V96.9Very high93.2Very high0 Ų050.7 Ų50.70%026%0.258CS..EExtended strand (participates in β ladder)trans-111.3117.7174.3-179.90000107.6Y59 R60 W61 P89 L157 D158 L159 D160V32-Y59 HydrophobicContact CG1-CD1 4.37Å; V32-R60 CarbonylContact C-O 3.59Å; V32-R60 WeakPolarHBondContact CA-O 3.38Å; V32-W61 HydrophobicContact CG2-CB 4.09Å; V32-P89 HydrophobicContact CG1-CB 4.39Å; V32-P89 HydrophobicContact CG1-CG 4.11Å; V32-P89 HydrophobicContact CG2-CB 3.96Å; V32-P89 HydrophobicContact CG2-CG 4.3Å; V32-L157 HydrophobicContact CG2-CD1 4.02Å; V32-L157 HydrophobicContact CG2-CD2 4.31Å; V32-L157 HydrophobicContact CG2-CG 4.16Å; V32-D158 PolarHBondContact N-O 2.98Å; V32-L159 HydrophobicContact CB-CD2 4.01Å; V32-L159 HydrophobicContact CG1-CD2 4.29Å; V32-L159 WeakPolarHBondContact O-CA 3.37Å; V32-D160 PolarHBondContact O-N 3.29Å
33Q97.2Very high93.2Very high41 Ų4151.3 Ų51.319%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-82.5128.7169.6-59.2179.3-20.800108.5Y59 R60 D160Q33-Y59 CarbonylContact O-C 3.52Å; Q33-Y59 WeakPolarHBondContact O-CA 3.45Å; Q33-R60 HydrophobicContact CB-CB 3.95Å; Q33-R60 PolarHBondContact N-O 3.4Å; Q33-R60 PolarHBondContact O-N 3.3Å; Q33-D160 CarbonylContact C-O 3.6Å; Q33-D160 VanDerWaalsContact CA-O 3.29Å; Q33-D160 WeakPolarHBondContact CA-O 3.14Å
34Y97.2Very high93.4Very high0 Ų050.5 Ų50.50%026%0.26CS..EExtended strand (participates in β ladder)trans-123.7134.2-178.7-176.4-90.4000110.3L36 A57 V58 Y59 I91 F147 D160 W162 L229 Y231Y34-L36 HydrophobicContact CE1-CB 4.49Å; Y34-A57 HydrophobicContact CE2-CB 4.12Å; Y34-V58 CarbonylContact C-O 3.59Å; Y34-V58 WeakPolarHBondContact CA-O 3.47Å; Y34-Y59 AromaticContact CD2-CD1 3.83Å; Y34-Y59 HydrophobicContact CD2-CD1 3.83Å; Y34-Y59 AromaticContact CD2-CE1 3.63Å; Y34-Y59 HydrophobicContact CD2-CE1 3.63Å; Y34-Y59 HydrophobicContact CD2-CE2 4.44Å; Y34-Y59 HydrophobicContact CD2-CG 4.32Å; Y34-Y59 AromaticContact CD2-CZ 3.95Å; Y34-Y59 HydrophobicContact CE2-CD1 4.25Å; Y34-Y59 AromaticContact CE2-CE1 3.65Å; Y34-Y59 HydrophobicContact CE2-CE1 3.65Å; Y34-Y59 HydrophobicContact CE2-CE2 4Å; Y34-Y59 AromaticContact CE2-CZ 3.5Å; Y34-Y59 VanDerWaalsContact CE2-CZ 3.5Å; Y34-I91 HydrophobicContact CD2-CG2 4.34Å; Y34-I91 HydrophobicContact CE2-CG2 4.37Å; Y34-F147 HydrophobicContact CD1-CB 4.41Å; Y34-F147 HydrophobicContact CD1-CD2 4.47Å; Y34-F147 HydrophobicContact CD1-CG 4.46Å; Y34-F147 HydrophobicContact CE1-CB 4.02Å; Y34-F147 HydrophobicContact CE1-CD1 4.15Å; Y34-F147 AromaticContact CE1-CD2 3.52Å; Y34-F147 HydrophobicContact CE1-CD2 3.52Å; Y34-F147 AromaticContact CE1-CE2 3.97Å; Y34-F147 HydrophobicContact CE1-CE2 3.97Å; Y34-F147 AromaticContact CE1-CG 3.61Å; Y34-F147 HydrophobicContact CE1-CG 3.61Å; Y34-F147 HydrophobicContact CE1-CZ 4.46Å; Y34-F147 AromaticContact CZ-CD1 3.77Å; Y34-F147 AromaticContact CZ-CD2 3.97Å; Y34-F147 AromaticContact CZ-CG 3.73Å; Y34-F147 VanDerWaalsContact OH-CD1 3.27Å; Y34-F147 WeakPolarHBondContact OH-CD1 3.46Å; Y34-F147 WeakPolarHBondContact OH-CE1 3.36Å; Y34-F147 VanDerWaalsContact OH-CZ 3.29Å; Y34-F147 WeakPolarHBondContact OH-CZ 3.45Å; Y34-D160 PolarHBondContact N-O 3.44Å; Y34-W162 PolarHBondContact O-N 3Å; Y34-L229 HydrophobicContact CD1-CD1 4.26Å; Y34-L229 HydrophobicContact CG-CD1 4.48Å; Y34-Y231 AromaticContact CD1-CE2 3.73Å; Y34-Y231 HydrophobicContact CD1-CE2 3.73Å; Y34-Y231 AromaticContact CE1-CE2 3.79Å; Y34-Y231 HydrophobicContact CE1-CE2 3.79Å; Y34-Y231 PolarHBondContact O-OH 2.85Å
35G96.4Very high93.6Very high3 Ų345.8 Ų45.83%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-128.6147.4178.500000110.5V58G35-V58 PolarHBondContact N-O 3.02Å; G35-V58 PolarHBondContact O-N 3.48Å
36L96.3Very high93.6Very high2 Ų243.3 Ų43.31%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-125.2121.3175.9-169.374000108.8Y34 C55 F125 F147 V174 D175 Y231Y34-L36 HydrophobicContact CE1-CB 4.49Å; L36-C55 HydrophobicContact CD1-CB 3.66Å; L36-C55 HydrophobicContact CG-CB 4.27Å; L36-F125 HydrophobicContact CD1-CD2 4.4Å; L36-F125 HydrophobicContact CD1-CE2 3.85Å; L36-F147 HydrophobicContact CD1-CE2 4.12Å; L36-F147 HydrophobicContact CD1-CZ 4.12Å; L36-F147 HydrophobicContact CD2-CE2 4.1Å; L36-V174 HydrophobicContact CD2-CG1 4.43Å; L36-V174 HydrophobicContact CD2-CG2 4.1Å; L36-V174 WeakPolarHBondContact O-CA 3.32Å; L36-D175 PolarHBondContact O-N 3.46Å; L36-Y231 HydrophobicContact CB-CD1 4.09Å; L36-Y231 HydrophobicContact CB-CD2 4.36Å; L36-Y231 HydrophobicContact CB-CE1 3.95Å; L36-Y231 HydrophobicContact CB-CE2 4.23Å; L36-Y231 HydrophobicContact CB-CG 4.28Å; L36-Y231 HydrophobicContact CD2-CD1 4.46Å; L36-Y231 HydrophobicContact CD2-CD2 4.39Å; L36-Y231 HydrophobicContact CD2-CG 4.07Å
37Q95.6Very high93.4Very high30 Ų3042.5 Ų42.514%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-116.5125.4175.6-176.3-168.810.800108.6C55 W56 D175 S177 D178Q37-C55 CarbonylContact O-C 3.54Å; Q37-C55 WeakPolarHBondContact O-CA 3.31Å; Q37-C55 VanDerWaalsContact O-CB 3.28Å; Q37-C55 WeakPolarHBondContact O-CB 3.41Å; Q37-W56 HydrophobicContact CB-CB 4.15Å; Q37-W56 PolarHBondContact N-O 2.98Å; Q37-W56 PolarHBondContact O-N 3.41Å; Q37-W56 VanDerWaalsContact OE1-CD1 3.24Å; Q37-D175 CarbonylContact C-O 3.56Å; Q37-D175 VanDerWaalsContact CA-O 3.27Å; Q37-D175 WeakPolarHBondContact CA-O 2.96Å; Q37-D175 HydrophobicContact CB-CB 4.02Å; Q37-D175 HydrophobicContact CG-CB 3.9Å; Q37-S177 PolarHBondContact NE2-OG 3.43Å; Q37-D178 PolarHBondContact NE2-OD2 3.32Å
38M95.9Very high93.3Very high3 Ų339 Ų392%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-83.5122.6-179.4-168.863.66900110.5T53 V174 D175 F176 Y179 I233M38-T53 HydrophobicContact CE-CG2 3.62Å; M38-T53 HydrophobicContact SD-CG2 3.96Å; M38-V174 HydrophobicContact CB-CG1 3.85Å; M38-V174 HydrophobicContact CE-CG1 4.4Å; M38-D175 PolarHBondContact N-O 3.04Å; M38-F176 HydrophobicContact CB-CD1 3.96Å; M38-F176 HydrophobicContact CB-CE1 3.83Å; M38-F176 HydrophobicContact CB-CG 4.43Å; M38-F176 HydrophobicContact CB-CZ 4.23Å; M38-F176 HydrophobicContact CG-CD1 4.31Å; M38-F176 HydrophobicContact CG-CE1 3.88Å; M38-F176 HydrophobicContact CG-CZ 4.48Å; M38-Y179 HydrophobicContact CB-CD2 4.08Å; M38-Y179 HydrophobicContact CG-CD2 3.5Å; M38-Y179 VanDerWaalsContact CG-CD2 3.5Å; M38-Y179 HydrophobicContact CG-CE2 3.68Å; M38-I233 HydrophobicContact CE-CD1 3.34Å
39I94.9Very high93.3Very high25 Ų2537.9 Ų37.913%0.12819%0.19CC..EExtended strand (participates in β ladder)trans-89.4-48.6171.9-55.7169000109.1N54 W56 Q122 Y179 V180I39-N54 WeakPolarHBondContact CA-O 3.46Å; I39-N54 HydrophobicContact CB-CB 4.47Å; I39-N54 WeakPolarHBondContact CB-O 3.46Å; I39-N54 PolarHBondContact N-O 2.95Å; I39-W56 HydrophobicContact CD1-CD2 3.85Å; I39-W56 VanDerWaalsContact CD1-CE2 3.47Å; I39-W56 HydrophobicContact CD1-CG 3.96Å; I39-W56 HydrophobicContact CD1-CZ2 3.99Å; I39-W56 HydrophobicContact CG1-CG 4.19Å; I39-Q122 HydrophobicContact CD1-CG 4.1Å; I39-Y179 WeakPolarHBondContact O-CA 3.03Å; I39-V180 PolarHBondContact O-N 3.19Å
40Q94.7Very high93.3Very high72 Ų7234.6 Ų34.634%0.33618%0.177SC..EExtended strand (participates in β ladder)trans-156.1136.9-176.8-168.1-179.514.900111.4L42 N54Q40-L42 HydrophobicContact CG-CD2 4.25Å; Q40-L42 PolarHBondContact O-N 2.94Å; Q40-N54 HydrophobicContact CB-CB 4.31Å; Q40-N54 PolarHBondContact N-O 2.97Å; Q40-N54 VanDerWaalsContact N-O 3.15Å; Q40-N54 PolarHBondContact O-N 3.44Å
41L94.4Very high93.3Very high8 Ų834.2 Ų34.24%0.04218%0.175CC..EExtended strand (participates in β ladder)trans-83.6107.7164.8-179.961.1000108.5G43 L51 T53 Y179 A182 W185 T187 I235L41-G43 VanDerWaalsContact C-N 3.33Å; L41-L51 HydrophobicContact CD1-CD1 3.55Å; L41-L51 HydrophobicContact CD1-CG 4.46Å; L41-T53 HydrophobicContact CD1-CG2 4.03Å; L41-Y179 HydrophobicContact CB-CE2 4.08Å; L41-Y179 WeakPolarHBondContact CB-OH 3.16Å; L41-A182 HydrophobicContact CB-CB 4.38Å; L41-W185 HydrophobicContact CD2-CB 3.51Å; L41-W185 HydrophobicContact CD2-CG 4.12Å; L41-T187 HydrophobicContact CD2-CG2 4Å; L41-I235 HydrophobicContact CD2-CB 4.49Å; L41-I235 HydrophobicContact CD2-CG2 3.94Å
42L92.9Very high93.2Very high83 Ų8335.5 Ų35.544%0.43517%0.173SC..EExtended strand (participates in β ladder)trans-79.6-20.9-176-64.5171.5000112.8Q40 R52 N54 L124Q40-L42 HydrophobicContact CG-CD2 4.25Å; Q40-L42 PolarHBondContact O-N 2.94Å; L42-R52 HydrophobicContact CB-CB 3.92Å; L42-R52 WeakPolarHBondContact CB-O 3.31Å; L42-R52 HydrophobicContact CD1-CB 4.49Å; L42-R52 PolarHBondContact N-O 3.01Å; L42-N54 HydrophobicContact CD1-CB 4.35Å; L42-N54 HydrophobicContact CG-CB 4.47Å; L42-L124 HydrophobicContact CD1-CD1 3.13Å
43G92.3Very high93.1Very high17 Ų1735.5 Ų35.518%0.17517%0.173CC..EExtended strand (participates in β ladder)trans140.2166.1175.100000113.1L41 R52L41-G43 VanDerWaalsContact C-N 3.33Å; G43-R52 PolarHBondContact N-O 3.29Å; G43-R52 PolarHBondContact O-N 3.08Å
44L92.3Very high93Very high11 Ų1134.9 Ų34.96%0.05817%0.171CC..EExtended strand (participates in β ladder)trans-111.1120.8171.8177.165.8000107.5E46 L51 C129 V131 Q141 W185 I235L44-E46 HydrophobicContact CD2-CG 4.25Å; L44-E46 HydrophobicContact CG-CG 4.31Å; L44-E46 PolarHBondContact O-N 3.39Å; L44-E46 VanDerWaalsContact O-OE2 3.09Å; L44-L51 HydrophobicContact CB-CD1 4.37Å; L44-L51 HydrophobicContact CD1-CB 4.12Å; L44-L51 HydrophobicContact CD1-CD1 4.31Å; L44-C129 HydrophobicContact CD1-CB 4.14Å; L44-V131 HydrophobicContact CD1-CG2 4.2Å; L44-V131 HydrophobicContact CD2-CG1 4.47Å; L44-V131 HydrophobicContact CD2-CG2 3.88Å; L44-V131 HydrophobicContact CG-CG2 4.29Å; L44-Q141 HydrophobicContact CD2-CB 4.34Å; L44-Q141 HydrophobicContact CD2-CG 3.87Å; L44-W185 HydrophobicContact CB-CZ2 3.91Å; L44-W185 HydrophobicContact CD2-CH2 3.82Å; L44-W185 HydrophobicContact CD2-CZ2 3.79Å; L44-W185 HydrophobicContact CG-CZ2 4.39Å; L44-I235 HydrophobicContact CB-CD1 4.42Å; L44-I235 HydrophobicContact CD2-CD1 4.21Å
45D90.5Very high92.9Very high37 Ų3734.9 Ų34.920%0.19817%0.171CC..EExtended strand (participates in β ladder)trans-85.295.6169-174.6-29.3000106.9N47 K48 Q49 V50 R52D45-N47 PolarHBondContact O-N 2.89Å; D45-N47 PolarHBondContact OD1-N 3.27Å; D45-K48 HydrophobicContact CB-CB 4.39Å; D45-K48 PolarHBondContact O-N 3.35Å; D45-K48 PolarHBondContact OD1-N 3.43Å; D45-K48 VanDerWaalsContact OD2-CD 3.31Å; D45-K48 WeakPolarHBondContact OD2-CD 3.45Å; D45-Q49 WeakPolarHBondContact O-CA 3.5Å; D45-Q49 PolarHBondContact O-N 3.5Å; D45-V50 HydrophobicContact CB-CB 4.46Å; D45-V50 PolarHBondContact N-O 2.9Å; D45-V50 PolarHBondContact O-N 2.88Å; D45-R52 IonicContact OD2-NH2 2.71Å
46E87.3Confident92.8Very high32 Ų3238.4 Ų38.415%0.1518%0.184CC..THydrogen-bonded Turntrans-63.8-36.1-177.2-58.789.1161.400111L44 K48 Q49 V131 W185 R237 P293L44-E46 HydrophobicContact CD2-CG 4.25Å; L44-E46 HydrophobicContact CG-CG 4.31Å; L44-E46 PolarHBondContact O-N 3.39Å; L44-E46 VanDerWaalsContact O-OE2 3.09Å; E46-K48 VanDerWaalsContact C-N 3.32Å; E46-K48 PolarHBondContact O-N 3.44Å; E46-Q49 PolarHBondContact O-N 2.87Å; E46-V131 HydrophobicContact CB-CG1 4.38Å; E46-V131 HydrophobicContact CG-CG1 4.14Å; E46-W185 WeakPolarHBondContact OE1-CZ2 3.31Å; E46-R237 IonicContact OE1-CZ 2.73Å; E46-R237 VanDerWaalsContact OE1-CZ 3.24Å; E46-R237 IonicContact OE1-NH1 3.61Å; E46-R237 PolarHBondContact OE1-NH1 3.02Å; E46-R237 IonicContact OE1-NH2 2.7Å; E46-R237 PolarHBondContact OE1-NH2 3.36Å; E46-P293 VanDerWaalsContact O-CB 3.26Å; E46-P293 WeakPolarHBondContact O-CB 3.42Å
47N84.4Confident92.8Very high74 Ų7438.3 Ų38.340%0.39618%0.183SC..THydrogen-bonded Turntrans-61.6-41.7-179.1-69.5-7.5000111.9D45 K290 M292D45-N47 PolarHBondContact O-N 2.89Å; D45-N47 PolarHBondContact OD1-N 3.27Å; N47-K290 PolarHBondContact ND2-O 3.2Å; N47-M292 PolarHBondContact OD1-N 3.39Å; N47-M292 PolarHBondContact OD1-O 3.1Å
48K87.1Confident92.7Very high149 Ų14937.4 Ų37.465%0.64818%0.18SC*.THydrogen-bonded Turntrans-95.5-5.1178.8-59.8-176-169.5171.80114D45 E46 V50D45-K48 HydrophobicContact CB-CB 4.39Å; D45-K48 PolarHBondContact O-N 3.35Å; D45-K48 PolarHBondContact OD1-N 3.43Å; D45-K48 VanDerWaalsContact OD2-CD 3.31Å; D45-K48 WeakPolarHBondContact OD2-CD 3.45Å; E46-K48 VanDerWaalsContact C-N 3.32Å; E46-K48 PolarHBondContact O-N 3.44Å; K48-V50 VanDerWaalsContact C-N 3.33Å; K48-V50 HydrophobicContact CB-CG2 3.94Å; K48-V50 WeakPolarHBondContact O-CG2 3.27Å; K48-V50 PolarHBondContact O-N 3.03Å
49Q90.6Very high92.7Very high54 Ų5437.4 Ų37.425%0.25218%0.18SC..THydrogen-bonded Turntrans56.844-173.8-63.9-174.2-16.100112.6D45 E46 T128 C129 V131 P293 A295D45-Q49 WeakPolarHBondContact O-CA 3.5Å; D45-Q49 PolarHBondContact O-N 3.5Å; E46-Q49 PolarHBondContact O-N 2.87Å; Q49-T128 WeakPolarHBondContact O-CA 3.39Å; Q49-C129 VanDerWaalsContact CB-O 3.32Å; Q49-C129 WeakPolarHBondContact CB-O 3.42Å; Q49-C129 PolarHBondContact O-N 3.49Å; Q49-V131 HydrophobicContact CG-CG2 4.38Å; Q49-P293 HydrophobicContact CG-CB 4.5Å; Q49-A295 PolarHBondContact NE2-O 3.18Å
50V92.4Very high92.8Very high17 Ų1738.9 Ų38.910%0.10318%0.184CC..EExtended strand (participates in β ladder)trans-122.4119.8-176.4-179.50000111.9D45 K48 R52 A97 R126 S127D45-V50 HydrophobicContact CB-CB 4.46Å; D45-V50 PolarHBondContact N-O 2.9Å; D45-V50 PolarHBondContact O-N 2.88Å; K48-V50 VanDerWaalsContact C-N 3.33Å; K48-V50 HydrophobicContact CB-CG2 3.94Å; K48-V50 WeakPolarHBondContact O-CG2 3.27Å; K48-V50 PolarHBondContact O-N 3.03Å; V50-R52 HydrophobicContact CG1-CG 4.45Å; V50-A97 HydrophobicContact CB-CB 4.36Å; V50-A97 HydrophobicContact CG1-CB 3.86Å; V50-A97 HydrophobicContact CG2-CB 3.62Å; V50-R126 HydrophobicContact CG1-CB 4.06Å; V50-S127 CarbonylContact C-O 3.56Å; V50-S127 WeakPolarHBondContact CA-O 3.41Å
51L94.2Very high92.9Very high1 Ų135.8 Ų35.81%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-88.1130171-179.173.2000110.3L41 L44 T53 R126 S127 C129 C143 L145 I235L41-L51 HydrophobicContact CD1-CD1 3.55Å; L41-L51 HydrophobicContact CD1-CG 4.46Å; L44-L51 HydrophobicContact CB-CD1 4.37Å; L44-L51 HydrophobicContact CD1-CB 4.12Å; L44-L51 HydrophobicContact CD1-CD1 4.31Å; L51-T53 HydrophobicContact CD1-CG2 4.47Å; L51-T53 HydrophobicContact CD2-CG2 3.83Å; L51-T53 HydrophobicContact CG-CG2 3.89Å; L51-R126 WeakPolarHBondContact O-CA 3.27Å; L51-S127 PolarHBondContact N-O 3.2Å; L51-S127 PolarHBondContact O-N 3.18Å; L51-C129 HydrophobicContact CB-CB 4.11Å; L51-C143 HydrophobicContact CD2-CB 3.58Å; L51-L145 HydrophobicContact CD2-CD1 4.41Å; L51-I235 HydrophobicContact CD1-CD1 4.28Å
52R94.1Very high92.9Very high87 Ų8737.8 Ų37.833%0.32818%0.184SC..EExtended strand (participates in β ladder)trans-111.2122.9176.5-58.6-175.5-178.4167.18110.7L42 G43 D45 V50 F125 R126L42-R52 HydrophobicContact CB-CB 3.92Å; L42-R52 WeakPolarHBondContact CB-O 3.31Å; L42-R52 HydrophobicContact CD1-CB 4.49Å; L42-R52 PolarHBondContact N-O 3.01Å; G43-R52 PolarHBondContact N-O 3.29Å; G43-R52 PolarHBondContact O-N 3.08Å; D45-R52 IonicContact OD2-NH2 2.71Å; V50-R52 HydrophobicContact CG1-CG 4.45Å; R52-F125 WeakPolarHBondContact CA-O 3.39Å; R52-R126 HydrophobicContact CG-CG 4.31Å
53T94.7Very high93Very high0 Ų033.9 Ų33.90%016%0.163CC..EExtended strand (participates in β ladder)trans-134.8140-176.855.90000111.4M38 L41 L51 F125M38-T53 HydrophobicContact CE-CG2 3.62Å; M38-T53 HydrophobicContact SD-CG2 3.96Å; L41-T53 HydrophobicContact CD1-CG2 4.03Å; L51-T53 HydrophobicContact CD1-CG2 4.47Å; L51-T53 HydrophobicContact CD2-CG2 3.83Å; L51-T53 HydrophobicContact CG-CG2 3.89Å; T53-F125 PolarHBondContact N-O 3.3Å; T53-F125 PolarHBondContact O-N 3.1Å
54N94.3Very high93Very high27 Ų2734.6 Ų34.614%0.14417%0.165CC..EExtended strand (participates in β ladder)trans-103.4117.4169.6-176.315.1000108.1I39 Q40 L42 Q122I39-N54 WeakPolarHBondContact CA-O 3.46Å; I39-N54 HydrophobicContact CB-CB 4.47Å; I39-N54 WeakPolarHBondContact CB-O 3.46Å; I39-N54 PolarHBondContact N-O 2.95Å; Q40-N54 HydrophobicContact CB-CB 4.31Å; Q40-N54 PolarHBondContact N-O 2.97Å; Q40-N54 VanDerWaalsContact N-O 3.15Å; Q40-N54 PolarHBondContact O-N 3.44Å; L42-N54 HydrophobicContact CD1-CB 4.35Å; L42-N54 HydrophobicContact CG-CB 4.47Å; N54-Q122 PolarHBondContact ND2-NE2 3.35Å; N54-Q122 PolarHBondContact OD1-NE2 2.97Å; N54-Q122 VanDerWaalsContact OD1-NE2 3.11Å
55C95.4Very high92.9Very high0 Ų035.6 Ų35.60%017%0.17CC..EExtended strand (participates in β ladder)trans-133.8155.4-171.9-53.30000111.6L36 Q37 A123 F125L36-C55 HydrophobicContact CD1-CB 3.66Å; L36-C55 HydrophobicContact CG-CB 4.27Å; Q37-C55 CarbonylContact O-C 3.54Å; Q37-C55 WeakPolarHBondContact O-CA 3.31Å; Q37-C55 VanDerWaalsContact O-CB 3.28Å; Q37-C55 WeakPolarHBondContact O-CB 3.41Å; C55-A123 PolarHBondContact N-O 2.68Å; C55-A123 PolarHBondContact O-N 3.34Å; C55-F125 HydrophobicContact CB-CD2 4.15Å; C55-F125 HydrophobicContact CB-CE2 4.15Å
56W95Very high93.1Very high77 Ų7733.8 Ų33.829%0.29216%0.161SC..EExtended strand (participates in β ladder)trans-87.2123.7154.4-57.1111.6000109.2Q37 I39 I120 Q121 Q122Q37-W56 HydrophobicContact CB-CB 4.15Å; Q37-W56 PolarHBondContact N-O 2.98Å; Q37-W56 PolarHBondContact O-N 3.41Å; Q37-W56 VanDerWaalsContact OE1-CD1 3.24Å; I39-W56 HydrophobicContact CD1-CD2 3.85Å; I39-W56 VanDerWaalsContact CD1-CE2 3.47Å; I39-W56 HydrophobicContact CD1-CG 3.96Å; I39-W56 HydrophobicContact CD1-CZ2 3.99Å; I39-W56 HydrophobicContact CG1-CG 4.19Å; W56-I120 HydrophobicContact CB-CG2 4.18Å; W56-I120 HydrophobicContact CD2-CG2 4.31Å; W56-I120 HydrophobicContact CE3-CG2 3.83Å; W56-I120 HydrophobicContact CG-CG2 4.49Å; W56-Q121 CarbonylContact C-O 3.52Å; W56-Q121 WeakPolarHBondContact CA-O 3.29Å; W56-Q122 HydrophobicContact CE3-CB 3.81Å; W56-Q122 HydrophobicContact CE3-CG 4.43Å; W56-Q122 HydrophobicContact CH2-CB 3.97Å; W56-Q122 HydrophobicContact CH2-CG 4.37Å; W56-Q122 HydrophobicContact CZ3-CB 3.43Å; W56-Q122 VanDerWaalsContact CZ3-CB 3.43Å; W56-Q122 HydrophobicContact CZ3-CG 4.2Å
57A95Very high93.4Very high0 Ų037.3 Ų37.30%018%0.176CC..EExtended strand (participates in β ladder)trans-95.7116.716800000108.2Y34 Y59 F104 I120 Q121 F125Y34-A57 HydrophobicContact CE2-CB 4.12Å; A57-Y59 HydrophobicContact CB-CE2 3.7Å; A57-F104 HydrophobicContact CB-CE1 3.97Å; A57-I120 WeakPolarHBondContact O-CA 3.49Å; A57-Q121 PolarHBondContact N-O 3.33Å; A57-Q121 PolarHBondContact O-N 3.14Å; A57-F125 HydrophobicContact CB-CZ 4.41Å
58V95.2Very high93.8Very high12 Ų1234.9 Ų34.97%0.07316%0.161CC..EExtended strand (participates in β ladder)trans-108129-174.6-1760000109Y34 G35 L118 I120 W162Y34-V58 CarbonylContact C-O 3.59Å; Y34-V58 WeakPolarHBondContact CA-O 3.47Å; G35-V58 PolarHBondContact N-O 3.02Å; G35-V58 PolarHBondContact O-N 3.48Å; V58-L118 HydrophobicContact CG1-CD1 3.94Å; V58-I120 HydrophobicContact CG1-CG1 4.14Å; V58-I120 HydrophobicContact CG2-CG1 4.3Å; V58-I120 HydrophobicContact CG2-CG2 4.33Å; V58-W162 HydrophobicContact CB-CE3 4.35Å; V58-W162 HydrophobicContact CG1-CD2 3.82Å; V58-W162 HydrophobicContact CG1-CE3 3.43Å; V58-W162 VanDerWaalsContact CG1-CE3 3.43Å; V58-W162 HydrophobicContact CG1-CH2 3.54Å; V58-W162 HydrophobicContact CG1-CZ2 3.95Å; V58-W162 HydrophobicContact CG1-CZ3 3.24Å
59Y95.8Very high94.2Very high3 Ų332 Ų321%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-124.1134.5-178.8-57.2-107.7000109.7V32 Q33 Y34 A57 P89 I91 W119V32-Y59 HydrophobicContact CG1-CD1 4.37Å; Q33-Y59 CarbonylContact O-C 3.52Å; Q33-Y59 WeakPolarHBondContact O-CA 3.45Å; Y34-Y59 AromaticContact CD2-CD1 3.83Å; Y34-Y59 HydrophobicContact CD2-CD1 3.83Å; Y34-Y59 AromaticContact CD2-CE1 3.63Å; Y34-Y59 HydrophobicContact CD2-CE1 3.63Å; Y34-Y59 HydrophobicContact CD2-CE2 4.44Å; Y34-Y59 HydrophobicContact CD2-CG 4.32Å; Y34-Y59 AromaticContact CD2-CZ 3.95Å; Y34-Y59 HydrophobicContact CE2-CD1 4.25Å; Y34-Y59 AromaticContact CE2-CE1 3.65Å; Y34-Y59 HydrophobicContact CE2-CE1 3.65Å; Y34-Y59 HydrophobicContact CE2-CE2 4Å; Y34-Y59 AromaticContact CE2-CZ 3.5Å; Y34-Y59 VanDerWaalsContact CE2-CZ 3.5Å; A57-Y59 HydrophobicContact CB-CE2 3.7Å; Y59-P89 HydrophobicContact CD1-CG 4.05Å; Y59-I91 HydrophobicContact CD1-CG1 4.48Å; Y59-I91 HydrophobicContact CE1-CB 3.92Å; Y59-I91 HydrophobicContact CE1-CG1 4.01Å; Y59-W119 HydrophobicContact CD1-CE3 4.49Å; Y59-W119 HydrophobicContact CD2-CD2 4.49Å; Y59-W119 HydrophobicContact CD2-CE3 4.02Å; Y59-W119 WeakPolarHBondContact CD2-O 3.31Å; Y59-W119 HydrophobicContact CE2-CE3 4.32Å; Y59-W119 HydrophobicContact CG-CE3 4.13Å; Y59-W119 PolarHBondContact N-O 3.12Å; Y59-W119 PolarHBondContact O-N 3.21Å
60R96.4Very high94.3Very high56 Ų5630.2 Ų30.221%0.21115%0.148CC..EExtended strand (participates in β ladder)trans-126.4130.4166.4-150.5171.5-94.8162.6-13.8110.6V32 Q33 I117 W162 I163 D165V32-R60 CarbonylContact C-O 3.59Å; V32-R60 WeakPolarHBondContact CA-O 3.38Å; Q33-R60 HydrophobicContact CB-CB 3.95Å; Q33-R60 PolarHBondContact N-O 3.4Å; Q33-R60 PolarHBondContact O-N 3.3Å; R60-I117 VanDerWaalsContact CA-O 3.31Å; R60-I117 WeakPolarHBondContact CA-O 3.5Å; R60-W162 HydrophobicContact CB-CE3 4.11Å; R60-W162 HydrophobicContact CB-CZ3 3.66Å; R60-W162 HydrophobicContact CG-CZ3 4.24Å; R60-I163 PolarHBondContact NH1-O 2.9Å; R60-D165 IonicContact CZ-OD1 3.9Å; R60-D165 IonicContact NH1-OD1 3.93Å; R60-D165 IonicContact NH2-OD1 2.7Å; R60-D165 PolarHBondContact NH2-OD1 2.97Å; R60-D165 IonicContact NH2-OD2 3.72Å
61W96Very high94.3Very high7 Ų733.8 Ų33.83%0.02717%0.173CC..EExtended strand (participates in β ladder)trans-152.1170.5168.572.597.9000110.3M30 V32 W87 T88 P89 L109 N116 I117 W119M30-W61 HydrophobicContact CE-CB 4.45Å; M30-W61 HydrophobicContact CE-CG 4.46Å; V32-W61 HydrophobicContact CG2-CB 4.09Å; W61-W87 AromaticContact CD1-CZ3 3.92Å; W61-W87 HydrophobicContact CG-CZ3 4.48Å; W61-W87 AromaticContact NE1-CE3 3.84Å; W61-W87 AromaticContact NE1-CZ3 3.76Å; W61-T88 HydrophobicContact CH2-CG2 4.36Å; W61-T88 HydrophobicContact CZ2-CG2 4.43Å; W61-P89 HydrophobicContact CE3-CG 4.26Å; W61-P89 HydrophobicContact CZ3-CG 4.33Å; W61-L109 HydrophobicContact CH2-CD2 4.48Å; W61-N116 WeakPolarHBondContact O-CA 3.46Å; W61-I117 HydrophobicContact CD2-CB 4.05Å; W61-I117 HydrophobicContact CD2-CG2 4.44Å; W61-I117 HydrophobicContact CE3-CB 4.25Å; W61-I117 HydrophobicContact CE3-CG2 4.32Å; W61-I117 HydrophobicContact CH2-CB 4.19Å; W61-I117 HydrophobicContact CH2-CG2 3.52Å; W61-I117 HydrophobicContact CZ2-CB 4Å; W61-I117 HydrophobicContact CZ2-CD1 3.71Å; W61-I117 HydrophobicContact CZ2-CG1 4.42Å; W61-I117 HydrophobicContact CZ2-CG2 3.67Å; W61-I117 HydrophobicContact CZ3-CB 4.3Å; W61-I117 HydrophobicContact CZ3-CG2 3.86Å; W61-I117 PolarHBondContact N-O 3.39Å; W61-I117 PolarHBondContact O-N 3.43Å; W61-W119 HydrophobicContact CH2-CB 4Å; W61-W119 HydrophobicContact CH2-CD2 4.49Å; W61-W119 HydrophobicContact CH2-CE3 4.08Å; W61-W119 HydrophobicContact CZ3-CB 3.77Å; W61-W119 HydrophobicContact CZ3-CE3 4.2Å
62S95.5Very high94.2Very high50 Ų5040.1 Ų40.135%0.3520%0.203SC..EExtended strand (participates in β ladder)trans-114.3130.8177.3-166.30000110.1M30 G115 N116M30-S62 WeakPolarHBondContact CE-O 3.48Å; S62-G115 CarbonylContact C-O 3.59Å; S62-G115 WeakPolarHBondContact CA-O 3.26Å; S62-N116 PolarHBondContact OG-OD1 3.32Å
63D94.8Very high94Very high0 Ų038.8 Ų38.80%020%0.198CC..  trans-114.4115.9178.4-175.1-40.1000109.2Y13 P22 L65 L66 G115 I117Y13-D63 VanDerWaalsContact CE2-OD2 3.25Å; Y13-D63 WeakPolarHBondContact CE2-OD2 3.22Å; Y13-D63 PolarHBondContact OH-OD2 2.84Å; P22-D63 HydrophobicContact CB-CB 4.11Å; P22-D63 WeakPolarHBondContact CB-OD1 3.24Å; P22-D63 WeakPolarHBondContact CB-OD2 3.49Å; P22-D63 HydrophobicContact CG-CB 4.13Å; P22-D63 WeakPolarHBondContact CG-OD2 3.3Å; D63-L65 PolarHBondContact O-N 3.42Å; D63-L65 WeakPolarHBondContact OD1-CA 3.36Å; D63-L65 VanDerWaalsContact OD1-CB 3.29Å; D63-L65 WeakPolarHBondContact OD1-CB 3.39Å; D63-L65 PolarHBondContact OD1-N 3.44Å; D63-L66 HydrophobicContact CB-CB 4.28Å; D63-L66 HydrophobicContact CB-CD1 3.99Å; D63-L66 HydrophobicContact CB-CG 4.25Å; D63-L66 PolarHBondContact O-N 3.19Å; D63-L66 PolarHBondContact OD1-N 3.45Å; D63-G115 PolarHBondContact N-O 3.35Å; D63-I117 HydrophobicContact CB-CD1 3.78Å; D63-I117 HydrophobicContact CB-CG1 4.4Å
64S91.5Very high93.8Very high32 Ų3241.8 Ų41.822%0.22423%0.229CC..G310 helixtrans-69.8-20.4-176.758.60000113.7P22 N24 L66P22-S64 PolarHBondContact O-OG 3.5Å; N24-S64 WeakPolarHBondContact OD1-CB 3.13Å; N24-S64 PolarHBondContact OD1-OG 3.07Å; S64-L66 VanDerWaalsContact C-N 3.35Å
65L90.9Very high93.7Very high32 Ų3242.7 Ų42.717%0.16825%0.245CC..G310 helixtrans-84-13.6-178.5-51.7179.5000112.4R12 Y13 N16 D63R12-L65 PolarHBondContact NE-O 3.27Å; R12-L65 PolarHBondContact NH2-O 2.93Å; Y13-L65 HydrophobicContact CD2-CB 3.77Å; Y13-L65 HydrophobicContact CD2-CD1 4.32Å; Y13-L65 HydrophobicContact CE2-CB 3.76Å; Y13-L65 HydrophobicContact CE2-CD1 4.02Å; Y13-L65 HydrophobicContact CE2-CG 4.46Å; N16-L65 HydrophobicContact CB-CD1 4.12Å; D63-L65 PolarHBondContact O-N 3.42Å; D63-L65 WeakPolarHBondContact OD1-CA 3.36Å; D63-L65 VanDerWaalsContact OD1-CB 3.29Å; D63-L65 WeakPolarHBondContact OD1-CB 3.39Å; D63-L65 PolarHBondContact OD1-N 3.44Å
66L93.6Very high93.6Very high0 Ų044.3 Ų44.30%025%0.253CS..G310 helixtrans-10319.7-178.1-65.3175.6000113.8I9 Y13 D63 S64 W68 I86 V111 I117I9-L66 HydrophobicContact CG2-CD2 3.31Å; Y13-L66 HydrophobicContact CD2-CD2 3.52Å; Y13-L66 HydrophobicContact CD2-CG 3.85Å; Y13-L66 HydrophobicContact CE2-CD1 4.08Å; Y13-L66 HydrophobicContact CE2-CD2 3.91Å; Y13-L66 HydrophobicContact CE2-CG 3.73Å; Y13-L66 HydrophobicContact CG-CD2 4.38Å; D63-L66 HydrophobicContact CB-CB 4.28Å; D63-L66 HydrophobicContact CB-CD1 3.99Å; D63-L66 HydrophobicContact CB-CG 4.25Å; D63-L66 PolarHBondContact O-N 3.19Å; D63-L66 PolarHBondContact OD1-N 3.45Å; S64-L66 VanDerWaalsContact C-N 3.35Å; L66-W68 WeakPolarHBondContact O-CZ3 3.47Å; L66-I86 HydrophobicContact CD1-CD1 3.64Å; L66-I86 HydrophobicContact CD1-CG2 4.21Å; L66-I86 HydrophobicContact CD2-CG2 4.32Å; L66-V111 HydrophobicContact CB-CG1 3.96Å; L66-V111 HydrophobicContact CD1-CG1 4.36Å; L66-V111 HydrophobicContact CD1-CG2 4.36Å; L66-I117 HydrophobicContact CD1-CD1 3.59Å
67K93.8Very high93.6Very high106 Ų10647.6 Ų47.646%0.46127%0.27SS..  trans-81.1140.8174.1-63.2-176.4177.6-173.40112R12 S114R12-K67 PolarHBondContact NH1-O 2.89Å; R12-K67 PolarHBondContact NH2-O 3.39Å; K67-S114 WeakPolarHBondContact CE-O 3Å; K67-S114 WeakPolarHBondContact CG-O 3.39Å
68W93.8Very high93.6Very high23 Ų2353.5 Ų53.59%0.08730%0.297CS..  trans-146.6157.917072.693.8000111.6L5 I9 L66 Y73 I76 L79 V111 D112 S113L5-W68 HydrophobicContact CD1-CB 4.23Å; L5-W68 HydrophobicContact CD1-CG 4.06Å; L5-W68 HydrophobicContact CD2-CD2 4.29Å; L5-W68 HydrophobicContact CD2-CG 4.25Å; I9-W68 HydrophobicContact CD1-CB 4.27Å; I9-W68 HydrophobicContact CD1-CD2 3.95Å; I9-W68 HydrophobicContact CD1-CE3 3.56Å; I9-W68 HydrophobicContact CD1-CG 4.27Å; I9-W68 HydrophobicContact CD1-CZ3 4.21Å; L66-W68 WeakPolarHBondContact O-CZ3 3.47Å; W68-Y73 HydrophobicContact CB-CE2 4.49Å; W68-I76 PolarHBondContact NE1-O 3.42Å; W68-L79 HydrophobicContact CE3-CD1 4.33Å; W68-L79 HydrophobicContact CH2-CB 4.18Å; W68-L79 HydrophobicContact CH2-CD1 3.75Å; W68-L79 HydrophobicContact CH2-CG 3.77Å; W68-L79 HydrophobicContact CZ2-CD1 3.98Å; W68-L79 HydrophobicContact CZ2-CG 3.86Å; W68-L79 HydrophobicContact CZ3-CD1 3.95Å; W68-L79 HydrophobicContact CZ3-CG 4.45Å; W68-V111 HydrophobicContact CH2-CG1 4.39Å; W68-V111 WeakPolarHBondContact CH2-O 3.38Å; W68-V111 HydrophobicContact CZ3-CB 4.47Å; W68-V111 HydrophobicContact CZ3-CG1 3.9Å; W68-D112 WeakPolarHBondContact CH2-O 3.49Å; W68-D112 WeakPolarHBondContact CZ3-O 3.41Å; W68-S113 PolarHBondContact N-O 3.43Å; W68-S113 VanDerWaalsContact N-O 3.16Å
69N94.4Very high93.6Very high87 Ų8753 Ų5347%0.46529%0.294SS..  trans-87.1112.3174.5-169.5-7.8000110S71 Q72N69-S71 PolarHBondContact ND2-OG 2.93Å; N69-S71 PolarHBondContact O-N 3.44Å; N69-S71 VanDerWaalsContact O-N 3.17Å; N69-S71 PolarHBondContact OD1-N 2.97Å; N69-S71 PolarHBondContact OD1-OG 3.31Å; N69-Q72 HydrophobicContact CB-CG 4.2Å; N69-Q72 PolarHBondContact O-N 3.36Å; N69-Q72 VanDerWaalsContact O-N 3.15Å
70A93.6Very high93.5Very high18 Ų1859.8 Ų59.815%0.14932%0.32CS..G310 helixtrans-57.3-32.3-176.900000113Q72 Y73 G75 I76 K77A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 3.33Å; A70-Y73 PolarHBondContact O-N 3.49Å; A70-G75 VanDerWaalsContact O-CA 3.29Å; A70-G75 WeakPolarHBondContact O-CA 3.35Å; A70-G75 PolarHBondContact O-N 2.87Å; A70-I76 WeakPolarHBondContact CB-O 3.28Å; A70-K77 HydrophobicContact CB-CG 4.42Å
71S92.8Very high93.4Very high91 Ų9157.2 Ų57.264%0.63631%0.31SS*.G310 helixtrans-64.6-31.6-179.6640000113.3N69 Y73N69-S71 PolarHBondContact ND2-OG 2.93Å; N69-S71 PolarHBondContact O-N 3.44Å; N69-S71 VanDerWaalsContact O-N 3.17Å; N69-S71 PolarHBondContact OD1-N 2.97Å; N69-S71 PolarHBondContact OD1-OG 3.31Å; S71-Y73 VanDerWaalsContact C-N 3.28Å; S71-Y73 PolarHBondContact O-N 3Å
72Q91.2Very high93.3Very high135 Ų13561.5 Ų61.563%0.63133%0.329SS*.G310 helixtrans-74-19.2179.8-67.8179-21.600113.1N69 A70N69-Q72 HydrophobicContact CB-CG 4.2Å; N69-Q72 PolarHBondContact O-N 3.36Å; N69-Q72 VanDerWaalsContact O-N 3.15Å; A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 3.33Å
73Y91.2Very high93.1Very high58 Ų5859.6 Ų59.623%0.22732%0.316CS..G310 helixtrans-118.928-173.5-65.1-82000113L5 W68 A70 S71 I76L5-Y73 HydrophobicContact CB-CD1 3.82Å; L5-Y73 HydrophobicContact CB-CE1 4.23Å; L5-Y73 HydrophobicContact CB-CG 4.24Å; L5-Y73 HydrophobicContact CD1-CD1 3.74Å; L5-Y73 HydrophobicContact CD1-CD2 3.65Å; L5-Y73 HydrophobicContact CD1-CE1 3.74Å; L5-Y73 HydrophobicContact CD1-CE2 3.66Å; L5-Y73 HydrophobicContact CD1-CG 3.68Å; L5-Y73 HydrophobicContact CD2-CD1 4.47Å; L5-Y73 HydrophobicContact CD2-CD2 4.44Å; L5-Y73 HydrophobicContact CD2-CG 4.04Å; L5-Y73 HydrophobicContact CG-CD1 4.22Å; L5-Y73 HydrophobicContact CG-CG 4.21Å; W68-Y73 HydrophobicContact CB-CE2 4.49Å; A70-Y73 PolarHBondContact O-N 3.49Å; S71-Y73 VanDerWaalsContact C-N 3.28Å; S71-Y73 PolarHBondContact O-N 3Å; Y73-I76 VanDerWaalsContact O-CD1 3.29Å; Y73-I76 WeakPolarHBondContact O-CD1 3.29Å; Y73-I76 WeakPolarHBondContact O-CG1 3.42Å
74G88.8Confident92.9Very high64 Ų6465.9 Ų65.966%0.6635%0.345SS*.THydrogen-bonded Turntrans77.228.5175.300000114.1
75G92.8Very high93Very high46 Ų4667.6 Ų67.647%0.47435%0.349SS..SBendtrans80.612.3176.700000114.9A70 K77A70-G75 VanDerWaalsContact O-CA 3.29Å; A70-G75 WeakPolarHBondContact O-CA 3.35Å; A70-G75 PolarHBondContact O-N 2.87Å; G75-K77 PolarHBondContact O-N 2.96Å; G75-K77 VanDerWaalsContact O-N 3.17Å
76I93.7Very high93.1Very high33 Ų3366.3 Ų66.317%0.16934%0.342CS..  trans-67.1113.5178-60.9172000109.1M1 E2 L5 W68 A70 Y73 E78 L79M1-I76 HydrophobicContact CB-CD1 4.09Å; E2-I76 HydrophobicContact CB-CD1 3.75Å; E2-I76 HydrophobicContact CG-CD1 4.28Å; L5-I76 HydrophobicContact CD2-CB 4.29Å; L5-I76 HydrophobicContact CD2-CG2 4.1Å; W68-I76 PolarHBondContact NE1-O 3.42Å; A70-I76 WeakPolarHBondContact CB-O 3.28Å; Y73-I76 VanDerWaalsContact O-CD1 3.29Å; Y73-I76 WeakPolarHBondContact O-CD1 3.29Å; Y73-I76 WeakPolarHBondContact O-CG1 3.42Å; I76-E78 WeakPolarHBondContact CG2-O 3.3Å; I76-L79 HydrophobicContact CG2-CD2 3.89Å; I76-L79 HydrophobicContact CG2-CG 4.41Å
77K94.2Very high93.1Very high147 Ų14767 Ų6764%0.63935%0.345SS*.  trans-97-21.3-179-67.6-176.7-179.4-179.20113.9A70 G75 D112 S113A70-K77 HydrophobicContact CB-CG 4.42Å; G75-K77 PolarHBondContact O-N 2.96Å; G75-K77 VanDerWaalsContact O-N 3.17Å; K77-D112 CarbonylContact O-C 3.51Å; K77-D112 WeakPolarHBondContact O-CA 3.47Å; K77-S113 PolarHBondContact O-N 3.02Å
78E95.4Very high93.1Very high124 Ų12464 Ų6458%0.57934%0.336SS*.EExtended strand (participates in β ladder)trans-137.3148.5-175.2-67.6177.7-170.600111.1I76 V110 V111I76-E78 WeakPolarHBondContact CG2-O 3.3Å; E78-V110 HydrophobicContact CB-CG1 4.33Å; E78-V110 HydrophobicContact CG-CG1 4.44Å; E78-V111 CarbonylContact C-O 3.53Å; E78-V111 VanDerWaalsContact CA-O 3.24Å; E78-V111 WeakPolarHBondContact CA-O 3.28Å
79L94.6Very high93.1Very high1 Ų163.2 Ų63.21%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-135.2148.9177-69.2175.6000110.7E2 L5 I6 I9 W68 I76 I81 V110 V111E2-L79 HydrophobicContact CG-CD2 3.55Å; L5-L79 HydrophobicContact CD2-CD1 3.78Å; L5-L79 HydrophobicContact CD2-CD2 4.09Å; L5-L79 HydrophobicContact CD2-CG 4.24Å; L5-L79 HydrophobicContact CG-CD1 3.82Å; I6-L79 HydrophobicContact CD1-CD2 4.18Å; I6-L79 HydrophobicContact CG1-CD1 4.27Å; I6-L79 HydrophobicContact CG1-CD2 3.78Å; I6-L79 HydrophobicContact CG1-CG 4.49Å; I9-L79 HydrophobicContact CD1-CD1 3.67Å; W68-L79 HydrophobicContact CE3-CD1 4.33Å; W68-L79 HydrophobicContact CH2-CB 4.18Å; W68-L79 HydrophobicContact CH2-CD1 3.75Å; W68-L79 HydrophobicContact CH2-CG 3.77Å; W68-L79 HydrophobicContact CZ2-CD1 3.98Å; W68-L79 HydrophobicContact CZ2-CG 3.86Å; W68-L79 HydrophobicContact CZ3-CD1 3.95Å; W68-L79 HydrophobicContact CZ3-CG 4.45Å; I76-L79 HydrophobicContact CG2-CD2 3.89Å; I76-L79 HydrophobicContact CG2-CG 4.41Å; L79-I81 HydrophobicContact CB-CG1 4.49Å; L79-V110 CarbonylContact O-C 3.45Å; L79-V110 WeakPolarHBondContact O-CA 3.48Å; L79-V111 PolarHBondContact N-O 3.39Å; L79-V111 PolarHBondContact O-N 3.19Å
80R95Very high93Very high146 Ų14660.9 Ų60.955%0.55132%0.321SS*.EExtended strand (participates in β ladder)trans-110.3114.6175-65.5176-178.4169.3-1.1110.3R108 L109 V110R80-R108 HydrophobicContact CB-CB 4.42Å; R80-L109 VanDerWaalsContact CA-O 3.31Å; R80-L109 WeakPolarHBondContact CA-O 3.34Å; R80-V110 HydrophobicContact CG-CG2 4.4Å
81I93.7Very high93Very high2 Ų260.1 Ų60.11%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-119.8151.6-174.8-59.1178.4000109.3L10 L79 Q85 I86 R108 L109 V111L10-I81 HydrophobicContact CD2-CD1 4.39Å; L10-I81 HydrophobicContact CD2-CG2 3.92Å; L79-I81 HydrophobicContact CB-CG1 4.49Å; I81-Q85 HydrophobicContact CG2-CB 4.12Å; I81-I86 HydrophobicContact CG2-CG2 4.12Å; I81-R108 WeakPolarHBondContact O-CA 3.41Å; I81-L109 HydrophobicContact CB-CD1 3.86Å; I81-L109 PolarHBondContact N-O 2.86Å; I81-L109 WeakPolarHBondContact O-CG 3.46Å; I81-L109 PolarHBondContact O-N 3.49Å; I81-V111 HydrophobicContact CD1-CG2 4.06Å; I81-V111 HydrophobicContact CG1-CG2 4.5Å
82F93.4Very high93Very high96 Ų9660.2 Ų60.242%0.42130%0.303SS..  trans-81.1141.4173.6-72.2-80.9000111.3H84 Q85 R108F82-H84 VanDerWaalsContact C-N 3.26Å; F82-H84 WeakPolarHBondContact CB-CE1 3.47Å; F82-H84 AromaticContact CG-CE1 3.8Å; F82-H84 PolarHBondContact O-N 3.23Å; F82-Q85 HydrophobicContact CB-CG 4.12Å; F82-Q85 WeakPolarHBondContact O-CB 3.49Å; F82-Q85 PolarHBondContact O-N 3.35Å; F82-R108 HydrophobicContact CD1-CG 3.77Å; F82-R108 HydrophobicContact CE1-CG 3.69Å; F82-R108 HydrophobicContact CG-CG 4.24Å; F82-R108 HydrophobicContact CZ-CG 4.11Å
83P92.4Very high93.1Very high11 Ų1154.2 Ų54.27%0.07128%0.276CS..G310 helixtrans-62.1-28.8-174.623.3-33.7000113.9Q85 T88 G107 L109 W119P83-Q85 PolarHBondContact O-N 3.38Å; P83-T88 HydrophobicContact CB-CG2 3.91Å; P83-G107 WeakPolarHBondContact CD-O 3.33Å; P83-L109 HydrophobicContact CB-CD2 4.24Å; P83-W119 HydrophobicContact CB-CH2 4.29Å; P83-W119 HydrophobicContact CB-CZ2 3.55Å; P83-W119 HydrophobicContact CG-CZ2 4.01Å
84H90.7Very high93.2Very high132 Ų13253.9 Ų53.961%0.61127%0.274SS*.G310 helixtrans-71.6-10.417865.1-99.2000114.1F82F82-H84 VanDerWaalsContact C-N 3.26Å; F82-H84 WeakPolarHBondContact CB-CE1 3.47Å; F82-H84 AromaticContact CG-CE1 3.8Å; F82-H84 PolarHBondContact O-N 3.23Å
85Q92.4Very high93.4Very high67 Ų6751.6 Ų51.631%0.31325%0.247SC..G310 helixtrans-91.5-13.9-177.3-56.1-177.9-68.400113L10 I81 F82 P83L10-Q85 HydrophobicContact CD2-CB 3.93Å; I81-Q85 HydrophobicContact CG2-CB 4.12Å; F82-Q85 HydrophobicContact CB-CG 4.12Å; F82-Q85 WeakPolarHBondContact O-CB 3.49Å; F82-Q85 PolarHBondContact O-N 3.35Å; P83-Q85 PolarHBondContact O-N 3.38Å
86I93.7Very high93.3Very high6 Ų652.1 Ų52.13%0.03124%0.236CC..SBendtrans-136172.1-177.366.9162.5000110.9L10 Y13 L66 I81 L109 I117L10-I86 HydrophobicContact CD2-CG2 4.05Å; Y13-I86 HydrophobicContact CD1-CB 4.32Å; Y13-I86 HydrophobicContact CD1-CG2 4.14Å; Y13-I86 HydrophobicContact CD2-CG2 4.43Å; Y13-I86 VanDerWaalsContact CE1-CA 3.5Å; Y13-I86 HydrophobicContact CE1-CB 3.79Å; Y13-I86 HydrophobicContact CE1-CG2 4.1Å; Y13-I86 HydrophobicContact CE2-CB 4.38Å; Y13-I86 HydrophobicContact CE2-CG2 4.37Å; Y13-I86 HydrophobicContact CG-CG2 4.3Å; L66-I86 HydrophobicContact CD1-CD1 3.64Å; L66-I86 HydrophobicContact CD1-CG2 4.21Å; L66-I86 HydrophobicContact CD2-CG2 4.32Å; I81-I86 HydrophobicContact CG2-CG2 4.12Å; I86-L109 HydrophobicContact CD1-CD1 3.69Å; I86-L109 HydrophobicContact CD1-CD2 3.52Å; I86-L109 HydrophobicContact CD1-CG 4.25Å; I86-L109 HydrophobicContact CG1-CD2 3.85Å; I86-I117 HydrophobicContact CD1-CD1 3.71Å
87W94.2Very high92.9Very high15 Ų1552.4 Ų52.46%0.05724%0.244CC..  trans-67.6135.8171.1-179.689.8000110.6Y13 G20 R21 P22 M30 W61 P89 Y152 L157Y13-W87 WeakPolarHBondContact OH-CB 3.29Å; Y13-W87 PolarHBondContact OH-N 3.05Å; G20-W87 PolarHBondContact O-NE1 3.26Å; R21-W87 HydrophobicContact CG-CZ2 4.17Å; P22-W87 VanDerWaalsContact CD-CD2 3.42Å; P22-W87 HydrophobicContact CG-CD2 4.12Å; P22-W87 HydrophobicContact CG-CE3 3.61Å; P22-W87 HydrophobicContact CG-CZ3 4.06Å; M30-W87 HydrophobicContact CE-CH2 4.5Å; M30-W87 HydrophobicContact CE-CZ3 4.13Å; W61-W87 AromaticContact CD1-CZ3 3.92Å; W61-W87 HydrophobicContact CG-CZ3 4.48Å; W61-W87 AromaticContact NE1-CE3 3.84Å; W61-W87 AromaticContact NE1-CZ3 3.76Å; W87-P89 HydrophobicContact CH2-CB 3.82Å; W87-P89 HydrophobicContact CZ2-CB 4.43Å; W87-P89 HydrophobicContact CZ3-CB 4.18Å; W87-Y152 AromaticContact CZ2-CE2 3.98Å; W87-Y152 HydrophobicContact CZ2-CE2 3.98Å; W87-Y152 PolarHBondContact NE1-OH 2.85Å; W87-L157 HydrophobicContact CH2-CD1 4.04Å; W87-L157 HydrophobicContact CZ2-CD1 4.29Å
88T93.7Very high92.1Very high42 Ų4246.6 Ų46.626%0.25822%0.22SC..  trans-127.1145.7171.450.10000109.6W61 P83 L109 W119W61-T88 HydrophobicContact CH2-CG2 4.36Å; W61-T88 HydrophobicContact CZ2-CG2 4.43Å; P83-T88 HydrophobicContact CB-CG2 3.91Å; T88-L109 HydrophobicContact CG2-CD2 4.28Å; T88-W119 HydrophobicContact CG2-CE3 4.34Å; T88-W119 HydrophobicContact CG2-CH2 3.98Å; T88-W119 HydrophobicContact CG2-CZ2 4.43Å; T88-W119 HydrophobicContact CG2-CZ3 3.95Å
89P94.1Very high90.7Very high7 Ų749.7 Ų49.75%0.04523%0.234CC..  trans-69.5139.5178.730.2-35.5000110.7V32 Y59 W61 W87 I91 L157V32-P89 HydrophobicContact CG1-CB 4.39Å; V32-P89 HydrophobicContact CG1-CG 4.11Å; V32-P89 HydrophobicContact CG2-CB 3.96Å; V32-P89 HydrophobicContact CG2-CG 4.3Å; Y59-P89 HydrophobicContact CD1-CG 4.05Å; W61-P89 HydrophobicContact CE3-CG 4.26Å; W61-P89 HydrophobicContact CZ3-CG 4.33Å; W87-P89 HydrophobicContact CH2-CB 3.82Å; W87-P89 HydrophobicContact CZ2-CB 4.43Å; W87-P89 HydrophobicContact CZ3-CB 4.18Å; P89-I91 HydrophobicContact CB-CD1 4.24Å; P89-I91 HydrophobicContact CB-CG1 4.08Å; P89-I91 PolarHBondContact O-N 3.03Å; P89-I91 VanDerWaalsContact O-N 3.1Å; P89-L157 HydrophobicContact CB-CD1 4.36Å
90D91.9Very high89.1Confident38 Ų3859.3 Ų59.320%0.20327%0.27CS..  trans-88.246.9-176.467.9-31000112.3K92 S149 M150 A151 Y152D90-K92 PolarHBondContact O-N 3.48Å; D90-S149 WeakPolarHBondContact OD1-CB 3.21Å; D90-S149 PolarHBondContact OD1-OG 3.36Å; D90-S149 PolarHBondContact OD2-OG 3.44Å; D90-M150 PolarHBondContact O-N 3.08Å; D90-M150 WeakPolarHBondContact OD2-CB 3.36Å; D90-M150 PolarHBondContact OD2-N 3.22Å; D90-M150 VanDerWaalsContact OD2-N 3.12Å; D90-A151 VanDerWaalsContact OD2-CB 3.24Å; D90-A151 WeakPolarHBondContact OD2-CB 3.46Å; D90-A151 PolarHBondContact OD2-N 3.32Å; D90-Y152 WeakPolarHBondContact OD1-CD2 3.2Å
91I93.9Very high87.6Confident2 Ų255.6 Ų55.61%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-76.5124.1179.7-46.1-48000108.7Y34 Y59 P89 F147 G148 L157 L159Y34-I91 HydrophobicContact CD2-CG2 4.34Å; Y34-I91 HydrophobicContact CE2-CG2 4.37Å; Y59-I91 HydrophobicContact CD1-CG1 4.48Å; Y59-I91 HydrophobicContact CE1-CB 3.92Å; Y59-I91 HydrophobicContact CE1-CG1 4.01Å; P89-I91 HydrophobicContact CB-CD1 4.24Å; P89-I91 HydrophobicContact CB-CG1 4.08Å; P89-I91 PolarHBondContact O-N 3.03Å; P89-I91 VanDerWaalsContact O-N 3.1Å; I91-F147 HydrophobicContact CG2-CB 3.85Å; I91-G148 WeakPolarHBondContact CA-O 3.48Å; I91-L157 HydrophobicContact CD1-CD2 4.19Å; I91-L159 HydrophobicContact CD1-CD1 4.23Å; I91-L159 HydrophobicContact CD1-CD2 3.66Å; I91-L159 HydrophobicContact CD1-CG 4.34Å; I91-L159 HydrophobicContact CG1-CD2 4.04Å
92K92.3Very high86.5Confident92 Ų9264.3 Ų64.340%0.430%0.302SS..EExtended strand (participates in β ladder)trans-130.5156.7-176.6-61.5-62.5176.4-172.30110.8D90 Y94 F147 G148D90-K92 PolarHBondContact O-N 3.48Å; K92-Y94 PolarHBondContact O-N 2.95Å; K92-F147 WeakPolarHBondContact O-CA 3.47Å; K92-G148 PolarHBondContact N-O 3.14Å; K92-G148 PolarHBondContact O-N 3.05Å; K92-G148 VanDerWaalsContact O-N 3.11Å
93L93.3Very high85.5Confident10 Ų1060.9 Ų60.95%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-75.5114171.6-177.164.2000109.6N95 F96 F125 L145 E146 F147L93-N95 WeakPolarHBondContact CD1-OD1 3.47Å; L93-F96 HydrophobicContact CD2-CB 4.44Å; L93-F96 HydrophobicContact CD2-CD2 4.05Å; L93-F96 HydrophobicContact CG-CB 4.39Å; L93-F96 WeakPolarHBondContact O-CB 3.35Å; L93-F125 HydrophobicContact CB-CD1 4.38Å; L93-F125 HydrophobicContact CD2-CB 4.02Å; L93-F125 HydrophobicContact CD2-CD1 3.93Å; L93-F125 HydrophobicContact CD2-CG 4.26Å; L93-L145 HydrophobicContact CD1-CB 3.88Å; L93-L145 HydrophobicContact CD1-CD2 4.39Å; L93-L145 HydrophobicContact CD1-CG 4.46Å; L93-E146 CarbonylContact C-O 3.43Å; L93-E146 WeakPolarHBondContact CA-O 3.49Å; L93-F147 HydrophobicContact CB-CD1 4.36Å; L93-F147 HydrophobicContact CB-CE1 3.98Å; L93-F147 HydrophobicContact CD1-CD1 4.46Å; L93-F147 HydrophobicContact CD1-CE1 4.04Å; L93-F147 HydrophobicContact CD1-CE2 4.36Å; L93-F147 HydrophobicContact CD1-CZ 4Å
94Y92.4Very high84.9Confident50 Ų5062 Ų6220%0.19629%0.291CS..THydrogen-bonded Turntrans-75-33.1-177.1-79.1-0.2000113.9K92 F96 E146 S149 M150 R211 V228K92-Y94 PolarHBondContact O-N 2.95Å; Y94-F96 VanDerWaalsContact C-N 3.27Å; Y94-F96 PolarHBondContact O-N 3.42Å; Y94-E146 PolarHBondContact N-O 3.38Å; Y94-S149 PolarHBondContact OH-O 3.44Å; Y94-M150 HydrophobicContact CE1-SD 4.44Å; Y94-R211 VanDerWaalsContact CD2-CZ 3.45Å; Y94-R211 VanDerWaalsContact CD2-NH1 3.26Å; Y94-V228 HydrophobicContact CD2-CG1 4.23Å; Y94-V228 HydrophobicContact CD2-CG2 3.84Å; Y94-V228 HydrophobicContact CE2-CG2 3.4Å; Y94-V228 VanDerWaalsContact CE2-CG2 3.4Å
95N93.8Very high84.4Confident16 Ų1664.1 Ų64.19%0.08629%0.294CS..THydrogen-bonded Turntrans-97.537-178.870.3-52.2000111.9L93 S127 T128 M144 E146L93-N95 WeakPolarHBondContact CD1-OD1 3.47Å; N95-S127 CarbonylContact O-C 3.56Å; N95-S127 WeakPolarHBondContact O-CA 3.29Å; N95-T128 WeakPolarHBondContact CB-OG1 3.35Å; N95-T128 PolarHBondContact ND2-O 3.04Å; N95-T128 PolarHBondContact O-N 3.48Å; N95-T128 PolarHBondContact O-OG1 3.2Å; N95-M144 PolarHBondContact ND2-O 3.36Å; N95-E146 PolarHBondContact OD1-N 3.47Å
96F90.2Very high83.5Confident57 Ų5768.6 Ų68.625%0.2531%0.314CS..BIsolated β-bridgetrans-67.9145.4-178.8-173.7-121.9000112.7L93 Y94 D98 E103 R126L93-F96 HydrophobicContact CD2-CB 4.44Å; L93-F96 HydrophobicContact CD2-CD2 4.05Å; L93-F96 HydrophobicContact CG-CB 4.39Å; L93-F96 WeakPolarHBondContact O-CB 3.35Å; Y94-F96 VanDerWaalsContact C-N 3.27Å; Y94-F96 PolarHBondContact O-N 3.42Å; F96-D98 WeakPolarHBondContact CE1-O 3.14Å; F96-D98 WeakPolarHBondContact CZ-O 3.37Å; F96-E103 WeakPolarHBondContact CD2-OE1 3.43Å; F96-E103 HydrophobicContact CE2-CG 4.05Å; F96-E103 WeakPolarHBondContact CE2-OE1 3.49Å; F96-E103 HydrophobicContact CZ-CG 4.32Å; F96-R126 WeakPolarHBondContact CA-O 3.38Å; F96-R126 WeakPolarHBondContact CD2-O 3.48Å; F96-R126 HydrophobicContact CE2-CB 4.24Å
97A86.3Confident83.1Confident40 Ų4069.4 Ų69.433%0.33133%0.325SS..  trans-114.3-10.6-171.800000116V50 R126 T128V50-A97 HydrophobicContact CB-CB 4.36Å; V50-A97 HydrophobicContact CG1-CB 3.86Å; V50-A97 HydrophobicContact CG2-CB 3.62Å; A97-R126 HydrophobicContact CB-CB 4.48Å; A97-R126 PolarHBondContact N-O 2.65Å; A97-T128 HydrophobicContact CB-CG2 3.82Å
98D76.7Confident83Confident25 Ų2575.1 Ų75.113%0.13435%0.346CS..  trans-147.399.5-178.5-169.3-12.4000113.4F96 R100 R126F96-D98 WeakPolarHBondContact CE1-O 3.14Å; F96-D98 WeakPolarHBondContact CZ-O 3.37Å; D98-R100 PolarHBondContact O-N 2.64Å; D98-R100 IonicContact OD1-CZ 3.51Å; D98-R100 PolarHBondContact OD1-N 3.02Å; D98-R100 IonicContact OD1-NE 3.74Å; D98-R100 PolarHBondContact OD1-NE 3.14Å; D98-R100 IonicContact OD1-NH2 3.2Å; D98-R100 IonicContact OD2-CZ 3.74Å; D98-R100 IonicContact OD2-NE 2.99Å; D98-R100 IonicContact OD2-NH2 3.57Å; D98-R100 PolarHBondContact OD2-NH2 3.35Å; D98-R100 VanDerWaalsContact OD2-NH2 3.12Å; D98-R126 IonicContact OD2-CZ 2.91Å; D98-R126 IonicContact OD2-NH1 3.2Å; D98-R126 PolarHBondContact OD2-NH1 3.2Å
99E65.4Low83.1Confident189 Ų18973.1 Ų73.188%0.88333%0.334SS*.THydrogen-bonded Turntrans-55.5-14.4-175.8-64.6-177.7174.900116.1
100R61.8Low83.2Confident202 Ų20274.8 Ų74.876%0.76234%0.344SS*.THydrogen-bonded Turntrans-86.9-7.3-167.5-62.2176.6-63.2163.34.6115.2D98D98-R100 PolarHBondContact O-N 2.64Å; D98-R100 IonicContact OD1-CZ 3.51Å; D98-R100 PolarHBondContact OD1-N 3.02Å; D98-R100 IonicContact OD1-NE 3.74Å; D98-R100 PolarHBondContact OD1-NE 3.14Å; D98-R100 IonicContact OD1-NH2 3.2Å; D98-R100 IonicContact OD2-CZ 3.74Å; D98-R100 IonicContact OD2-NE 2.99Å; D98-R100 IonicContact OD2-NH2 3.57Å; D98-R100 PolarHBondContact OD2-NH2 3.35Å; D98-R100 VanDerWaalsContact OD2-NH2 3.12Å
101L63.9Low83.4Confident69 Ų6973 Ų7336%0.36133%0.334SS..SBendtrans-112.8128.3-172.2-68170.1000111.5E103L101-E103 PolarHBondContact O-N 3.19Å
102Q69.1Low83.5Confident184 Ų18475 Ų7586%0.8635%0.345SS*.  trans-65.3119.5160.5-73.6-178.7-16.900108F104Q102-F104 VanDerWaalsContact C-N 3.3Å; Q102-F104 PolarHBondContact O-N 3.44Å
103E74.2Confident83.7Confident24 Ų2471.9 Ų71.911%0.11234%0.335CS..  trans-66.3-35.7-176.3-62178141.800111.5F96 L101 A123 L124 F125F96-E103 WeakPolarHBondContact CD2-OE1 3.43Å; F96-E103 HydrophobicContact CE2-CG 4.05Å; F96-E103 WeakPolarHBondContact CE2-OE1 3.49Å; F96-E103 HydrophobicContact CZ-CG 4.32Å; L101-E103 PolarHBondContact O-N 3.19Å; E103-A123 CarbonylContact O-C 3.57Å; E103-A123 WeakPolarHBondContact O-CA 3.45Å; E103-L124 PolarHBondContact O-N 2.87Å; E103-F125 HydrophobicContact CB-CD1 4.37Å; E103-F125 HydrophobicContact CB-CE1 4.16Å; E103-F125 HydrophobicContact CG-CD1 4.32Å; E103-F125 HydrophobicContact CG-CE1 4.4Å
104F79.6Confident83.8Confident35 Ų3574.8 Ų74.815%0.15436%0.356CS..BIsolated β-bridgetrans-107.9145.5-164-60.1-74.8000114A57 Q102 Q121 Q122 A123 F125A57-F104 HydrophobicContact CB-CE1 3.97Å; Q102-F104 VanDerWaalsContact C-N 3.3Å; Q102-F104 PolarHBondContact O-N 3.44Å; F104-Q121 VanDerWaalsContact CB-OE1 3.25Å; F104-Q121 HydrophobicContact CD1-CB 3.72Å; F104-Q121 HydrophobicContact CD1-CG 4.45Å; F104-Q121 HydrophobicContact CE1-CB 4.4Å; F104-Q122 WeakPolarHBondContact CA-O 3.47Å; F104-A123 HydrophobicContact CD1-CB 3.6Å; F104-A123 HydrophobicContact CE1-CB 3.58Å; F104-F125 HydrophobicContact CE1-CE1 4.28Å; F104-F125 AromaticContact CE1-CZ 3.93Å; F104-F125 HydrophobicContact CE1-CZ 3.93Å; F104-F125 HydrophobicContact CZ-CE1 4.03Å; F104-F125 HydrophobicContact CZ-CZ 4.03Å
105R78.6Confident83.9Confident177 Ų17772.4 Ų72.467%0.66835%0.346SS*.  trans-93.5128161.4-64.3-179.6175.7178.5-7.2109.2G107 Q122R105-G107 PolarHBondContact O-N 3.46Å; R105-G107 VanDerWaalsContact O-N 3.17Å; R105-Q122 HydrophobicContact CB-CB 4.46Å; R105-Q122 PolarHBondContact N-O 3.12Å
106E74.5Confident84Confident160 Ų16074.8 Ų74.875%0.74836%0.359SS*.  trans-66.6114.3-176.2-65.4-172.7177.400112
107G84.9Confident84.3Confident24 Ų2472.1 Ų72.125%0.24735%0.347CS..  trans-108.5156168.900000111.6P83 R105 W119P83-G107 WeakPolarHBondContact CD-O 3.33Å; R105-G107 PolarHBondContact O-N 3.46Å; R105-G107 VanDerWaalsContact O-N 3.17Å; G107-W119 PolarHBondContact O-NE1 2.88Å
108R92.9Very high84.8Confident135 Ų13572.5 Ų72.551%0.50934%0.344SS..PPolyproline II helixtrans-73.2143.1168.4-70.8-176.7-70.1177.8-5.6109.7R80 I81 F82R80-R108 HydrophobicContact CB-CB 4.42Å; I81-R108 WeakPolarHBondContact O-CA 3.41Å; F82-R108 HydrophobicContact CD1-CG 3.77Å; F82-R108 HydrophobicContact CE1-CG 3.69Å; F82-R108 HydrophobicContact CG-CG 4.24Å; F82-R108 HydrophobicContact CZ-CG 4.11Å
109L94.8Very high85.6Confident0 Ų072.3 Ų72.30%034%0.341CS..EExtended strand (participates in β ladder)trans-89.4150.4171.755.385.9000110.5W61 R80 I81 P83 I86 T88 V111 I117 W119W61-L109 HydrophobicContact CH2-CD2 4.48Å; R80-L109 VanDerWaalsContact CA-O 3.31Å; R80-L109 WeakPolarHBondContact CA-O 3.34Å; I81-L109 HydrophobicContact CB-CD1 3.86Å; I81-L109 PolarHBondContact N-O 2.86Å; I81-L109 WeakPolarHBondContact O-CG 3.46Å; I81-L109 PolarHBondContact O-N 3.49Å; P83-L109 HydrophobicContact CB-CD2 4.24Å; I86-L109 HydrophobicContact CD1-CD1 3.69Å; I86-L109 HydrophobicContact CD1-CD2 3.52Å; I86-L109 HydrophobicContact CD1-CG 4.25Å; I86-L109 HydrophobicContact CG1-CD2 3.85Å; T88-L109 HydrophobicContact CG2-CD2 4.28Å; L109-V111 HydrophobicContact CD1-CG2 3.28Å; L109-I117 HydrophobicContact CB-CG2 3.99Å; L109-I117 HydrophobicContact CD1-CG2 3.88Å; L109-I117 HydrophobicContact CD2-CG2 4.37Å; L109-I117 HydrophobicContact CG-CG2 4.28Å; L109-W119 HydrophobicContact CB-CB 4.01Å; L109-W119 HydrophobicContact CB-CG 4.07Å
110V96.3Very high87Confident41 Ų4167 Ų6725%0.24832%0.318CS..EExtended strand (participates in β ladder)trans-102.9122.9176.3-176.60000107.8E78 L79 R80 I117 L118E78-V110 HydrophobicContact CB-CG1 4.33Å; E78-V110 HydrophobicContact CG-CG1 4.44Å; L79-V110 CarbonylContact O-C 3.45Å; L79-V110 WeakPolarHBondContact O-CA 3.48Å; R80-V110 HydrophobicContact CG-CG2 4.4Å; V110-I117 CarbonylContact O-C 3.58Å; V110-I117 WeakPolarHBondContact O-CA 3.24Å; V110-L118 HydrophobicContact CB-CB 4.49Å; V110-L118 PolarHBondContact N-O 3.18Å; V110-L118 PolarHBondContact O-N 2.99Å
111V96.7Very high88.5Confident0 Ų057.8 Ų57.80%028%0.284CS..EExtended strand (participates in β ladder)trans-110.5130.9176.7-171.70000108.1L66 W68 E78 L79 I81 L109 N116 I117L66-V111 HydrophobicContact CB-CG1 3.96Å; L66-V111 HydrophobicContact CD1-CG1 4.36Å; L66-V111 HydrophobicContact CD1-CG2 4.36Å; W68-V111 HydrophobicContact CH2-CG1 4.39Å; W68-V111 WeakPolarHBondContact CH2-O 3.38Å; W68-V111 HydrophobicContact CZ3-CB 4.47Å; W68-V111 HydrophobicContact CZ3-CG1 3.9Å; E78-V111 CarbonylContact C-O 3.53Å; E78-V111 VanDerWaalsContact CA-O 3.24Å; E78-V111 WeakPolarHBondContact CA-O 3.28Å; L79-V111 PolarHBondContact N-O 3.39Å; L79-V111 PolarHBondContact O-N 3.19Å; I81-V111 HydrophobicContact CD1-CG2 4.06Å; I81-V111 HydrophobicContact CG1-CG2 4.5Å; L109-V111 HydrophobicContact CD1-CG2 3.28Å; V111-N116 CarbonylContact C-O 3.57Å; V111-N116 WeakPolarHBondContact CA-O 3.43Å; V111-I117 HydrophobicContact CG1-CG1 4.23Å; V111-I117 HydrophobicContact CG2-CD1 4.33Å; V111-I117 HydrophobicContact CG2-CG1 4.14Å
112D95.9Very high89.9Confident44 Ų4456.4 Ų56.424%0.23528%0.275CS..EExtended strand (participates in β ladder)trans-88.7162.2170.580.313.6000111.9W68 K77 S114 G115 N116W68-D112 WeakPolarHBondContact CH2-O 3.49Å; W68-D112 WeakPolarHBondContact CZ3-O 3.41Å; K77-D112 CarbonylContact O-C 3.51Å; K77-D112 WeakPolarHBondContact O-CA 3.47Å; D112-S114 PolarHBondContact O-N 2.9Å; D112-S114 VanDerWaalsContact O-N 3.09Å; D112-S114 VanDerWaalsContact OD1-C 3.22Å; D112-S114 VanDerWaalsContact OD1-CA 3.23Å; D112-S114 WeakPolarHBondContact OD1-CA 3.47Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.4Å; D112-S114 PolarHBondContact OD1-N 3.03Å; D112-G115 PolarHBondContact O-N 2.85Å; D112-G115 PolarHBondContact OD1-N 3.42Å; D112-N116 PolarHBondContact N-O 2.93Å; D112-N116 PolarHBondContact OD1-N 3.13Å; D112-N116 VanDerWaalsContact OD2-CB 3.31Å; D112-N116 WeakPolarHBondContact OD2-CB 3.43Å; D112-N116 PolarHBondContact OD2-ND2 2.97Å
113S95.8Very high90.9Very high28 Ų2847.7 Ų47.720%0.19624%0.235CC..THydrogen-bonded Turntrans-60.9-20179.858.50000114.5W68 K77 G115W68-S113 PolarHBondContact N-O 3.43Å; W68-S113 VanDerWaalsContact N-O 3.16Å; K77-S113 PolarHBondContact O-N 3.02Å; S113-G115 VanDerWaalsContact C-N 3.27Å
114S95.6Very high91.8Very high70 Ų7049.6 Ų49.649%0.4925%0.246SC..THydrogen-bonded Turntrans-82.9-2.2175.3-56.60000112.7K67 D112K67-S114 WeakPolarHBondContact CE-O 3Å; K67-S114 WeakPolarHBondContact CG-O 3.39Å; D112-S114 PolarHBondContact O-N 2.9Å; D112-S114 VanDerWaalsContact O-N 3.09Å; D112-S114 VanDerWaalsContact OD1-C 3.22Å; D112-S114 VanDerWaalsContact OD1-CA 3.23Å; D112-S114 WeakPolarHBondContact OD1-CA 3.47Å; D112-S114 VanDerWaalsContact OD1-CB 3.27Å; D112-S114 WeakPolarHBondContact OD1-CB 3.4Å; D112-S114 PolarHBondContact OD1-N 3.03Å
115G94.1Very high92.5Very high0 Ų048 Ų480%024%0.238CC..SBendtrans83.77.9-178.600000114.2S62 D63 D112 S113S62-G115 CarbonylContact C-O 3.59Å; S62-G115 WeakPolarHBondContact CA-O 3.26Å; D63-G115 PolarHBondContact N-O 3.35Å; D112-G115 PolarHBondContact O-N 2.85Å; D112-G115 PolarHBondContact OD1-N 3.42Å; S113-G115 VanDerWaalsContact C-N 3.27Å
116N96Very high93.2Very high66 Ų6641.7 Ų41.735%0.35322%0.215SC..EExtended strand (participates in β ladder)trans-75.7138.1171.7-50.3-52.5000109.7W61 S62 V111 D112W61-N116 WeakPolarHBondContact O-CA 3.46Å; S62-N116 PolarHBondContact OG-OD1 3.32Å; V111-N116 CarbonylContact C-O 3.57Å; V111-N116 WeakPolarHBondContact CA-O 3.43Å; D112-N116 PolarHBondContact N-O 2.93Å; D112-N116 PolarHBondContact OD1-N 3.13Å; D112-N116 VanDerWaalsContact OD2-CB 3.31Å; D112-N116 WeakPolarHBondContact OD2-CB 3.43Å; D112-N116 PolarHBondContact OD2-ND2 2.97Å
117I96.9Very high94.2Very high1 Ų134.1 Ų34.11%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-117.9130.8-176.8-52.9-171.5000108.7R60 W61 D63 L66 I86 L109 V110 V111R60-I117 VanDerWaalsContact CA-O 3.31Å; R60-I117 WeakPolarHBondContact CA-O 3.5Å; W61-I117 HydrophobicContact CD2-CB 4.05Å; W61-I117 HydrophobicContact CD2-CG2 4.44Å; W61-I117 HydrophobicContact CE3-CB 4.25Å; W61-I117 HydrophobicContact CE3-CG2 4.32Å; W61-I117 HydrophobicContact CH2-CB 4.19Å; W61-I117 HydrophobicContact CH2-CG2 3.52Å; W61-I117 HydrophobicContact CZ2-CB 4Å; W61-I117 HydrophobicContact CZ2-CD1 3.71Å; W61-I117 HydrophobicContact CZ2-CG1 4.42Å; W61-I117 HydrophobicContact CZ2-CG2 3.67Å; W61-I117 HydrophobicContact CZ3-CB 4.3Å; W61-I117 HydrophobicContact CZ3-CG2 3.86Å; W61-I117 PolarHBondContact N-O 3.39Å; W61-I117 PolarHBondContact O-N 3.43Å; D63-I117 HydrophobicContact CB-CD1 3.78Å; D63-I117 HydrophobicContact CB-CG1 4.4Å; L66-I117 HydrophobicContact CD1-CD1 3.59Å; I86-I117 HydrophobicContact CD1-CD1 3.71Å; L109-I117 HydrophobicContact CB-CG2 3.99Å; L109-I117 HydrophobicContact CD1-CG2 3.88Å; L109-I117 HydrophobicContact CD2-CG2 4.37Å; L109-I117 HydrophobicContact CG-CG2 4.28Å; V110-I117 CarbonylContact O-C 3.58Å; V110-I117 WeakPolarHBondContact O-CA 3.24Å; V111-I117 HydrophobicContact CG1-CG1 4.23Å; V111-I117 HydrophobicContact CG2-CD1 4.33Å; V111-I117 HydrophobicContact CG2-CG1 4.14Å
118L96.2Very high94.6Very high49 Ų4936.1 Ų36.126%0.25719%0.187SC..EExtended strand (participates in β ladder)trans-111121.6167.2176.658000108.7V58 V110 I120 W162V58-L118 HydrophobicContact CG1-CD1 3.94Å; V110-L118 HydrophobicContact CB-CB 4.49Å; V110-L118 PolarHBondContact N-O 3.18Å; V110-L118 PolarHBondContact O-N 2.99Å; L118-I120 HydrophobicContact CD1-CD1 4.3Å; L118-I120 HydrophobicContact CD1-CG1 4Å; L118-I120 HydrophobicContact CD2-CD1 4.27Å; L118-I120 HydrophobicContact CG-CD1 4.32Å; L118-I120 HydrophobicContact CG-CG1 4.2Å; L118-W162 HydrophobicContact CD1-CH2 3.44Å; L118-W162 VanDerWaalsContact CD1-CH2 3.44Å; L118-W162 HydrophobicContact CD1-CZ3 3.68Å
119W95.4Very high94.6Very high20 Ų2030 Ų308%0.07616%0.164CC..EExtended strand (participates in β ladder)trans-127119.9175.5-172.333.9000109.4Y59 W61 P83 T88 G107 L109 Q121Y59-W119 HydrophobicContact CD1-CE3 4.49Å; Y59-W119 HydrophobicContact CD2-CD2 4.49Å; Y59-W119 HydrophobicContact CD2-CE3 4.02Å; Y59-W119 WeakPolarHBondContact CD2-O 3.31Å; Y59-W119 HydrophobicContact CE2-CE3 4.32Å; Y59-W119 HydrophobicContact CG-CE3 4.13Å; Y59-W119 PolarHBondContact N-O 3.12Å; Y59-W119 PolarHBondContact O-N 3.21Å; W61-W119 HydrophobicContact CH2-CB 4Å; W61-W119 HydrophobicContact CH2-CD2 4.49Å; W61-W119 HydrophobicContact CH2-CE3 4.08Å; W61-W119 HydrophobicContact CZ3-CB 3.77Å; W61-W119 HydrophobicContact CZ3-CE3 4.2Å; P83-W119 HydrophobicContact CB-CH2 4.29Å; P83-W119 HydrophobicContact CB-CZ2 3.55Å; P83-W119 HydrophobicContact CG-CZ2 4.01Å; T88-W119 HydrophobicContact CG2-CE3 4.34Å; T88-W119 HydrophobicContact CG2-CH2 3.98Å; T88-W119 HydrophobicContact CG2-CZ2 4.43Å; T88-W119 HydrophobicContact CG2-CZ3 3.95Å; G107-W119 PolarHBondContact O-NE1 2.88Å; L109-W119 HydrophobicContact CB-CB 4.01Å; L109-W119 HydrophobicContact CB-CG 4.07Å; W119-Q121 HydrophobicContact CD2-CG 4.15Å; W119-Q121 HydrophobicContact CG-CG 4.41Å; W119-Q121 HydrophobicContact CZ2-CG 4.04Å
120I94.1Very high94.4Very high77 Ų7738.1 Ų38.140%0.39520%0.202SC..EExtended strand (participates in β ladder)trans-117.9124.5179.1-57.4176.8000107.1W56 A57 V58 L118W56-I120 HydrophobicContact CB-CG2 4.18Å; W56-I120 HydrophobicContact CD2-CG2 4.31Å; W56-I120 HydrophobicContact CE3-CG2 3.83Å; W56-I120 HydrophobicContact CG-CG2 4.49Å; A57-I120 WeakPolarHBondContact O-CA 3.49Å; V58-I120 HydrophobicContact CG1-CG1 4.14Å; V58-I120 HydrophobicContact CG2-CG1 4.3Å; V58-I120 HydrophobicContact CG2-CG2 4.33Å; L118-I120 HydrophobicContact CD1-CD1 4.3Å; L118-I120 HydrophobicContact CD1-CG1 4Å; L118-I120 HydrophobicContact CD2-CD1 4.27Å; L118-I120 HydrophobicContact CG-CD1 4.32Å; L118-I120 HydrophobicContact CG-CG1 4.2Å
121Q92.7Very high94Very high10 Ų1037 Ų375%0.04720%0.196CC..EExtended strand (participates in β ladder)trans-126.7136.5179.6-69.2-179.186.100111W56 A57 F104 W119W56-Q121 CarbonylContact C-O 3.52Å; W56-Q121 WeakPolarHBondContact CA-O 3.29Å; A57-Q121 PolarHBondContact N-O 3.33Å; A57-Q121 PolarHBondContact O-N 3.14Å; F104-Q121 VanDerWaalsContact CB-OE1 3.25Å; F104-Q121 HydrophobicContact CD1-CB 3.72Å; F104-Q121 HydrophobicContact CD1-CG 4.45Å; F104-Q121 HydrophobicContact CE1-CB 4.4Å; W119-Q121 HydrophobicContact CD2-CG 4.15Å; W119-Q121 HydrophobicContact CG-CG 4.41Å; W119-Q121 HydrophobicContact CZ2-CG 4.04Å
122Q93.1Very high93.5Very high39 Ų3942.3 Ų42.318%0.18222%0.22CC..EExtended strand (participates in β ladder)trans-75.3129.6166.5-167172.621.400108.6I39 N54 W56 F104 R105I39-Q122 HydrophobicContact CD1-CG 4.1Å; N54-Q122 PolarHBondContact ND2-NE2 3.35Å; N54-Q122 PolarHBondContact OD1-NE2 2.97Å; N54-Q122 VanDerWaalsContact OD1-NE2 3.11Å; W56-Q122 HydrophobicContact CE3-CB 3.81Å; W56-Q122 HydrophobicContact CE3-CG 4.43Å; W56-Q122 HydrophobicContact CH2-CB 3.97Å; W56-Q122 HydrophobicContact CH2-CG 4.37Å; W56-Q122 HydrophobicContact CZ3-CB 3.43Å; W56-Q122 VanDerWaalsContact CZ3-CB 3.43Å; W56-Q122 HydrophobicContact CZ3-CG 4.2Å; F104-Q122 WeakPolarHBondContact CA-O 3.47Å; R105-Q122 HydrophobicContact CB-CB 4.46Å; R105-Q122 PolarHBondContact N-O 3.12Å
123A91.5Very high93.1Very high1 Ų140.5 Ų40.51%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-131.7135.8-179.200000112.7C55 E103 F104 F125C55-A123 PolarHBondContact N-O 2.68Å; C55-A123 PolarHBondContact O-N 3.34Å; E103-A123 CarbonylContact O-C 3.57Å; E103-A123 WeakPolarHBondContact O-CA 3.45Å; F104-A123 HydrophobicContact CD1-CB 3.6Å; F104-A123 HydrophobicContact CE1-CB 3.58Å; A123-F125 HydrophobicContact CB-CD1 4.39Å; A123-F125 HydrophobicContact CB-CD2 4.03Å; A123-F125 HydrophobicContact CB-CE1 3.83Å; A123-F125 HydrophobicContact CB-CE2 3.43Å; A123-F125 VanDerWaalsContact CB-CE2 3.43Å; A123-F125 HydrophobicContact CB-CG 4.48Å; A123-F125 HydrophobicContact CB-CZ 3.3Å
124L92.3Very high92.6Very high65 Ų6540.1 Ų40.134%0.3421%0.208SC..EExtended strand (participates in β ladder)trans-99.499.5169.1179.564.6000109.1L42 E103L42-L124 HydrophobicContact CD1-CD1 3.13Å; E103-L124 PolarHBondContact O-N 2.87Å
125F93.4Very high92.2Very high0 Ų041.1 Ų41.10%020%0.201CC..EExtended strand (participates in β ladder)trans-91.7139.9-178.8-65.3-59000112L36 R52 T53 C55 A57 L93 E103 F104 A123 L145 F147L36-F125 HydrophobicContact CD1-CD2 4.4Å; L36-F125 HydrophobicContact CD1-CE2 3.85Å; R52-F125 WeakPolarHBondContact CA-O 3.39Å; T53-F125 PolarHBondContact N-O 3.3Å; T53-F125 PolarHBondContact O-N 3.1Å; C55-F125 HydrophobicContact CB-CD2 4.15Å; C55-F125 HydrophobicContact CB-CE2 4.15Å; A57-F125 HydrophobicContact CB-CZ 4.41Å; L93-F125 HydrophobicContact CB-CD1 4.38Å; L93-F125 HydrophobicContact CD2-CB 4.02Å; L93-F125 HydrophobicContact CD2-CD1 3.93Å; L93-F125 HydrophobicContact CD2-CG 4.26Å; E103-F125 HydrophobicContact CB-CD1 4.37Å; E103-F125 HydrophobicContact CB-CE1 4.16Å; E103-F125 HydrophobicContact CG-CD1 4.32Å; E103-F125 HydrophobicContact CG-CE1 4.4Å; F104-F125 HydrophobicContact CE1-CE1 4.28Å; F104-F125 AromaticContact CE1-CZ 3.93Å; F104-F125 HydrophobicContact CE1-CZ 3.93Å; F104-F125 HydrophobicContact CZ-CE1 4.03Å; F104-F125 HydrophobicContact CZ-CZ 4.03Å; A123-F125 HydrophobicContact CB-CD1 4.39Å; A123-F125 HydrophobicContact CB-CD2 4.03Å; A123-F125 HydrophobicContact CB-CE1 3.83Å; A123-F125 HydrophobicContact CB-CE2 3.43Å; A123-F125 VanDerWaalsContact CB-CE2 3.43Å; A123-F125 HydrophobicContact CB-CG 4.48Å; A123-F125 HydrophobicContact CB-CZ 3.3Å; F125-L145 HydrophobicContact CB-CD2 3.98Å; F125-L145 HydrophobicContact CD2-CD2 4.23Å; F125-L145 HydrophobicContact CG-CD2 4.28Å; F125-F147 HydrophobicContact CD1-CE1 4.3Å; F125-F147 HydrophobicContact CD1-CZ 4.4Å; F125-F147 HydrophobicContact CD2-CZ 4.06Å; F125-F147 AromaticContact CE1-CE1 3.68Å; F125-F147 HydrophobicContact CE1-CE1 3.68Å; F125-F147 HydrophobicContact CE1-CZ 4.07Å; F125-F147 HydrophobicContact CE2-CE1 4.03Å; F125-F147 AromaticContact CE2-CZ 3.67Å; F125-F147 HydrophobicContact CE2-CZ 3.67Å; F125-F147 HydrophobicContact CG-CZ 4.4Å; F125-F147 AromaticContact CZ-CE1 3.52Å; F125-F147 HydrophobicContact CZ-CE1 3.52Å; F125-F147 AromaticContact CZ-CZ 3.68Å; F125-F147 HydrophobicContact CZ-CZ 3.68Å
126R94Very high91.8Very high46 Ų4641.5 Ų41.517%0.17420%0.203CC..EExtended strand (participates in β ladder)trans-120.1101168.8-67-170.7172.8177.62.2108.4V50 L51 R52 F96 A97 D98V50-R126 HydrophobicContact CG1-CB 4.06Å; L51-R126 WeakPolarHBondContact O-CA 3.27Å; R52-R126 HydrophobicContact CG-CG 4.31Å; F96-R126 WeakPolarHBondContact CA-O 3.38Å; F96-R126 WeakPolarHBondContact CD2-O 3.48Å; F96-R126 HydrophobicContact CE2-CB 4.24Å; A97-R126 HydrophobicContact CB-CB 4.48Å; A97-R126 PolarHBondContact N-O 2.65Å; D98-R126 IonicContact OD2-CZ 2.91Å; D98-R126 IonicContact OD2-NH1 3.2Å; D98-R126 PolarHBondContact OD2-NH1 3.2Å
127S94.5Very high91.4Very high0 Ų038.5 Ų38.50%019%0.187CC..EExtended strand (participates in β ladder)trans-106.7146.3-178.256.70000111.1V50 L51 N95V50-S127 CarbonylContact C-O 3.56Å; V50-S127 WeakPolarHBondContact CA-O 3.41Å; L51-S127 PolarHBondContact N-O 3.2Å; L51-S127 PolarHBondContact O-N 3.18Å; N95-S127 CarbonylContact O-C 3.56Å; N95-S127 WeakPolarHBondContact O-CA 3.29Å
128T93.6Very high90.9Very high67 Ų6741.1 Ų41.141%0.41120%0.198SC..EExtended strand (participates in β ladder)trans-71.9129.117050.30000109.5Q49 N95 A97Q49-T128 WeakPolarHBondContact O-CA 3.39Å; N95-T128 WeakPolarHBondContact CB-OG1 3.35Å; N95-T128 PolarHBondContact ND2-O 3.04Å; N95-T128 PolarHBondContact O-N 3.48Å; N95-T128 PolarHBondContact O-OG1 3.2Å; A97-T128 HydrophobicContact CB-CG2 3.82Å
129C93.5Very high90.5Very high5 Ų539 Ų393%0.03419%0.187CC..  trans-134.8121.1178.6179.50000110.2L44 Q49 L51 V131 C143L44-C129 HydrophobicContact CD1-CB 4.14Å; Q49-C129 VanDerWaalsContact CB-O 3.32Å; Q49-C129 WeakPolarHBondContact CB-O 3.42Å; Q49-C129 PolarHBondContact O-N 3.49Å; L51-C129 HydrophobicContact CB-CB 4.11Å; C129-V131 PolarHBondContact O-N 2.83Å; C129-C143 HydrophobicContact CB-CB 3.75Å; C129-C143 WeakPolarHBondContact CB-SG 3.44Å; C129-C143 WeakPolarHBondContact SG-CA 3.19Å; C129-C143 WeakPolarHBondContact SG-CB 3.39Å; C129-C143 CovalentContact SG-SG 2.03Å; C129-C143 PolarHBondContact SG-SG 3.02Å
130Q90Very high90.3Very high171 Ų17140.7 Ų40.780%0.79920%0.202SC*.  trans-73.9117.4177.2-67.4-177.5-3.500109.4
131V88.9Confident90.2Very high19 Ų1937.1 Ų37.112%0.11518%0.184CC..  trans-92.7130.3-176.4-1740000110.3L44 E46 Q49 C129 I133 Q141L44-V131 HydrophobicContact CD1-CG2 4.2Å; L44-V131 HydrophobicContact CD2-CG1 4.47Å; L44-V131 HydrophobicContact CD2-CG2 3.88Å; L44-V131 HydrophobicContact CG-CG2 4.29Å; E46-V131 HydrophobicContact CB-CG1 4.38Å; E46-V131 HydrophobicContact CG-CG1 4.14Å; Q49-V131 HydrophobicContact CG-CG2 4.38Å; C129-V131 PolarHBondContact O-N 2.83Å; V131-I133 HydrophobicContact CG1-CG2 3.77Å; V131-Q141 HydrophobicContact CG1-CG 4.39Å
132E86.9Confident90.3Very high110 Ų11040.1 Ų40.151%0.51420%0.203SC..  trans-104.6109.5172.7-176.7164.2-16100110.9T134 Q141E132-T134 PolarHBondContact OE1-OG1 3.46Å; E132-Q141 PolarHBondContact O-NE2 3.28Å
133I87.1Confident90.4Very high6 Ų638.3 Ų38.33%0.03119%0.194CC..  trans-100.910.9-173.763168.7000114.1V131 Y135 F136 M292 P293 I296V131-I133 HydrophobicContact CG1-CG2 3.77Å; I133-Y135 PolarHBondContact O-N 3.38Å; I133-F136 HydrophobicContact CB-CB 4.42Å; I133-F136 WeakPolarHBondContact O-CB 3.46Å; I133-F136 PolarHBondContact O-N 3.48Å; I133-F136 VanDerWaalsContact O-N 3.17Å; I133-M292 HydrophobicContact CD1-CB 4.23Å; I133-M292 HydrophobicContact CD1-CE 4.46Å; I133-M292 HydrophobicContact CD1-CG 3.94Å; I133-M292 HydrophobicContact CD1-SD 4.08Å; I133-P293 HydrophobicContact CD1-CG 4.43Å; I133-P293 HydrophobicContact CG2-CG 4.19Å; I133-I296 HydrophobicContact CD1-CB 4.34Å; I133-I296 HydrophobicContact CD1-CD1 3.64Å; I133-I296 HydrophobicContact CD1-CG1 3.63Å; I133-I296 HydrophobicContact CD1-CG2 3.75Å; I133-I296 HydrophobicContact CG1-CG2 4.06Å
134T85.4Confident90.6Very high21 Ų2140.7 Ų40.713%0.12921%0.206CC..THydrogen-bonded Turntrans-52.1-43.7-174.8-52.10000112E132 I301E132-T134 PolarHBondContact OE1-OG1 3.46Å; T134-I301 HydrophobicContact CG2-CD1 4.23Å; T134-I301 HydrophobicContact CG2-CG1 4.49Å; T134-I301 WeakPolarHBondContact O-CG1 3.21Å; T134-I301 PolarHBondContact O-N 3.36Å
135Y86Confident90.8Very high91 Ų9137.6 Ų37.636%0.35719%0.19SC..THydrogen-bonded Turntrans-104.315-175.8-59.9-63.3000114.3I133 F138 I301 K489I133-Y135 PolarHBondContact O-N 3.38Å; Y135-F138 CarbonylContact O-C 3.55Å; Y135-F138 WeakPolarHBondContact O-CA 3.41Å; Y135-F138 PolarHBondContact O-N 2.82Å; Y135-I301 HydrophobicContact CD1-CD1 3.52Å; Y135-I301 HydrophobicContact CE1-CD1 3.48Å; Y135-I301 VanDerWaalsContact CE1-CD1 3.48Å; Y135-K489 WeakPolarHBondContact CE1-O 3.42Å
136F86.2Confident90.9Very high7 Ų738 Ų383%0.03119%0.191CC..THydrogen-bonded Turntrans-51.2133.8179.4-179.2-88.6000111.8I133 H242 L246 L288 M292 I302I133-F136 HydrophobicContact CB-CB 4.42Å; I133-F136 WeakPolarHBondContact O-CB 3.46Å; I133-F136 PolarHBondContact O-N 3.48Å; I133-F136 VanDerWaalsContact O-N 3.17Å; F136-H242 AromaticContact CZ-CD2 3.41Å; F136-H242 VanDerWaalsContact CZ-CD2 3.41Å; F136-H242 WeakPolarHBondContact CZ-CD2 3.46Å; F136-H242 AromaticContact CZ-NE2 3.66Å; F136-L246 HydrophobicContact CE1-CD1 3.95Å; F136-L288 HydrophobicContact CD1-CD1 3.98Å; F136-L288 HydrophobicContact CE1-CD1 3.8Å; F136-M292 HydrophobicContact CD1-CE 4.25Å; F136-I302 HydrophobicContact CD1-CG2 4.22Å; F136-I302 WeakPolarHBondContact O-CG2 3.29Å
137P87.4Confident91Very high4 Ų435.9 Ų35.93%0.02618%0.183CC..THydrogen-bonded Turncis-93.813.85.338.8-37.8000115D139 R237 P239 H242 I247P137-D139 VanDerWaalsContact C-N 3.27Å; P137-R237 WeakPolarHBondContact O-CD 3.14Å; P137-P239 HydrophobicContact CB-CB 4.38Å; P137-P239 HydrophobicContact CG-CB 4.22Å; P137-H242 HydrophobicContact CB-CB 3.5Å; P137-H242 VanDerWaalsContact CB-CB 3.5Å; P137-H242 HydrophobicContact CG-CB 3.77Å; P137-I247 HydrophobicContact CG-CD1 4.2Å
138F87.2Confident91.1Very high55 Ų5535.9 Ų35.924%0.24118%0.183CC..SBendtrans-96.230.8178.3-53.9-78.7000111.6Y135 P239 L243 I247Y135-F138 CarbonylContact O-C 3.55Å; Y135-F138 WeakPolarHBondContact O-CA 3.41Å; Y135-F138 PolarHBondContact O-N 2.82Å; F138-P239 HydrophobicContact CD1-CB 3.73Å; F138-P239 HydrophobicContact CD1-CG 3.87Å; F138-P239 HydrophobicContact CE1-CB 3.6Å; F138-P239 HydrophobicContact CE1-CG 3.76Å; F138-P239 HydrophobicContact CZ-CB 4.35Å; F138-L243 HydrophobicContact CZ-CD1 4.5Å; F138-I247 HydrophobicContact CE2-CD1 4.01Å; F138-I247 HydrophobicContact CZ-CD1 4.19Å
139D87.5Confident91.2Very high5 Ų532.7 Ų32.73%0.02716%0.164CC..  trans-84.1150.1-175.855.9-56.7000113P137 Q141 R237P137-D139 VanDerWaalsContact C-N 3.27Å; D139-Q141 PolarHBondContact OD2-NE2 2.95Å; D139-R237 PolarHBondContact O-N 2.69Å; D139-R237 VanDerWaalsContact O-N 3.15Å; D139-R237 WeakPolarHBondContact OD1-CD 3.46Å; D139-R237 IonicContact OD1-CZ 3.9Å; D139-R237 IonicContact OD1-NE 3.12Å; D139-R237 PolarHBondContact OD1-NE 3.4Å; D139-R237 IonicContact OD1-NH2 3.97Å; D139-R237 IonicContact OD2-CZ 3.7Å; D139-R237 IonicContact OD2-NE 2.71Å; D139-R237 PolarHBondContact OD2-NE 3.13Å; D139-R237 IonicContact OD2-NH2 2.76Å; D139-R237 PolarHBondContact OD2-NH2 2.81Å
140S91.3Very high91Very high55 Ų5538.9 Ų38.939%0.38519%0.194SC..EExtended strand (participates in β ladder)trans-116.2141.7166.967.10000109.6I235S140-I235 CarbonylContact C-O 3.54Å; S140-I235 VanDerWaalsContact CA-O 3.31Å; S140-I235 WeakPolarHBondContact CA-O 3.33Å
141Q92.6Very high91Very high3 Ų333.7 Ų33.71%0.01418%0.181CC..EExtended strand (participates in β ladder)trans-117.9137.5179.3-51.4-58.3-26.900110.2L44 V131 E132 D139 W185 R234 I235L44-Q141 HydrophobicContact CD2-CB 4.34Å; L44-Q141 HydrophobicContact CD2-CG 3.87Å; V131-Q141 HydrophobicContact CG1-CG 4.39Å; E132-Q141 PolarHBondContact O-NE2 3.28Å; D139-Q141 PolarHBondContact OD2-NE2 2.95Å; Q141-W185 HydrophobicContact CG-CH2 3.84Å; Q141-W185 HydrophobicContact CG-CZ3 3.9Å; Q141-R234 CarbonylContact O-C 3.47Å; Q141-R234 WeakPolarHBondContact O-CA 3.44Å; Q141-I235 HydrophobicContact CB-CD1 4.19Å; Q141-I235 HydrophobicContact CB-CG1 3.73Å; Q141-I235 HydrophobicContact CG-CG1 4.41Å; Q141-I235 PolarHBondContact N-O 3.34Å; Q141-I235 PolarHBondContact O-N 2.83Å
142V94.3Very high91.2Very high72 Ų7234.7 Ų34.744%0.43618%0.182SC..EExtended strand (participates in β ladder)trans-110.2101.6172.1179.50000108.2L204 R234V142-L204 HydrophobicContact CG1-CD1 3.66Å; V142-L204 HydrophobicContact CG2-CD1 4.13Å; V142-R234 HydrophobicContact CG2-CB 4.36Å; V142-R234 HydrophobicContact CG2-CG 4.11Å
143C95.5Very high91.5Very high1 Ų129.9 Ų29.91%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-98.7155.3178.4-61.70000111.1L51 C129 I233L51-C143 HydrophobicContact CD2-CB 3.58Å; C129-C143 HydrophobicContact CB-CB 3.75Å; C129-C143 WeakPolarHBondContact CB-SG 3.44Å; C129-C143 WeakPolarHBondContact SG-CA 3.19Å; C129-C143 WeakPolarHBondContact SG-CB 3.39Å; C129-C143 CovalentContact SG-SG 2.03Å; C129-C143 PolarHBondContact SG-SG 3.02Å; C143-I233 PolarHBondContact N-O 2.95Å; C143-I233 PolarHBondContact O-N 2.91Å
144M95.3Very high91.8Very high51 Ų5133.6 Ų33.625%0.25118%0.176SC..EExtended strand (participates in β ladder)trans-130141.4-178.558.4-169.2-104.200111.9N95 E146 R230 Y231 L232N95-M144 PolarHBondContact ND2-O 3.36Å; M144-E146 HydrophobicContact CE-CG 3.55Å; M144-E146 VanDerWaalsContact CE-OE1 3.25Å; M144-E146 WeakPolarHBondContact CE-OE1 3.32Å; M144-E146 WeakPolarHBondContact CE-OE2 3.45Å; M144-R230 HydrophobicContact CB-CG 3.93Å; M144-R230 HydrophobicContact CE-CG 4.38Å; M144-Y231 CarbonylContact C-O 3.59Å; M144-Y231 VanDerWaalsContact CA-O 3.22Å; M144-Y231 WeakPolarHBondContact CA-O 3.42Å; M144-L232 HydrophobicContact CB-CD2 3.8Å
145L96.1Very high92.1Very high0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-116.5118.6168.4-63.896.9000108.8L51 L93 F125 F147 R230 Y231 I233L51-L145 HydrophobicContact CD2-CD1 4.41Å; L93-L145 HydrophobicContact CD1-CB 3.88Å; L93-L145 HydrophobicContact CD1-CD2 4.39Å; L93-L145 HydrophobicContact CD1-CG 4.46Å; F125-L145 HydrophobicContact CB-CD2 3.98Å; F125-L145 HydrophobicContact CD2-CD2 4.23Å; F125-L145 HydrophobicContact CG-CD2 4.28Å; L145-F147 HydrophobicContact CB-CD2 4.39Å; L145-F147 HydrophobicContact CB-CE2 3.65Å; L145-F147 HydrophobicContact CB-CZ 4.22Å; L145-F147 HydrophobicContact CD2-CE2 4.37Å; L145-F147 HydrophobicContact CD2-CZ 4.22Å; L145-R230 WeakPolarHBondContact O-CA 3.42Å; L145-Y231 PolarHBondContact N-O 3.28Å; L145-Y231 PolarHBondContact O-N 3.46Å; L145-I233 HydrophobicContact CD1-CD1 3.7Å; L145-I233 HydrophobicContact CD1-CG1 4.36Å
146E96Very high92.5Very high8 Ų836 Ų364%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-104.9109.8-176.3-67.4-16512400111.7L93 Y94 N95 M144 R211 V228 L229 R230L93-E146 CarbonylContact C-O 3.43Å; L93-E146 WeakPolarHBondContact CA-O 3.49Å; Y94-E146 PolarHBondContact N-O 3.38Å; N95-E146 PolarHBondContact OD1-N 3.47Å; M144-E146 HydrophobicContact CE-CG 3.55Å; M144-E146 VanDerWaalsContact CE-OE1 3.25Å; M144-E146 WeakPolarHBondContact CE-OE1 3.32Å; M144-E146 WeakPolarHBondContact CE-OE2 3.45Å; E146-R211 IonicContact OE2-CZ 3.9Å; E146-R211 IonicContact OE2-NH2 2.8Å; E146-R211 PolarHBondContact OE2-NH2 3.43Å; E146-V228 HydrophobicContact CB-CG1 3.86Å; E146-V228 HydrophobicContact CG-CG1 4.36Å; E146-L229 WeakPolarHBondContact CA-O 3.48Å; E146-R230 HydrophobicContact CG-CB 4.26Å; E146-R230 HydrophobicContact CG-CG 3.97Å; E146-R230 IonicContact OE1-CZ 3.04Å; E146-R230 IonicContact OE1-NE 3.78Å; E146-R230 PolarHBondContact OE1-NE 3.39Å; E146-R230 IonicContact OE1-NH2 3.32Å; E146-R230 PolarHBondContact OE1-NH2 2.96Å
147F96.4Very high92.9Very high2 Ų235.7 Ų35.71%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-104.5130.4178.8-65.9-78.5000111.3Y34 L36 I91 K92 L93 F125 L145 V228 L229 Y231Y34-F147 HydrophobicContact CD1-CB 4.41Å; Y34-F147 HydrophobicContact CD1-CD2 4.47Å; Y34-F147 HydrophobicContact CD1-CG 4.46Å; Y34-F147 HydrophobicContact CE1-CB 4.02Å; Y34-F147 HydrophobicContact CE1-CD1 4.15Å; Y34-F147 AromaticContact CE1-CD2 3.52Å; Y34-F147 HydrophobicContact CE1-CD2 3.52Å; Y34-F147 AromaticContact CE1-CE2 3.97Å; Y34-F147 HydrophobicContact CE1-CE2 3.97Å; Y34-F147 AromaticContact CE1-CG 3.61Å; Y34-F147 HydrophobicContact CE1-CG 3.61Å; Y34-F147 HydrophobicContact CE1-CZ 4.46Å; Y34-F147 AromaticContact CZ-CD1 3.77Å; Y34-F147 AromaticContact CZ-CD2 3.97Å; Y34-F147 AromaticContact CZ-CG 3.73Å; Y34-F147 VanDerWaalsContact OH-CD1 3.27Å; Y34-F147 WeakPolarHBondContact OH-CD1 3.46Å; Y34-F147 WeakPolarHBondContact OH-CE1 3.36Å; Y34-F147 VanDerWaalsContact OH-CZ 3.29Å; Y34-F147 WeakPolarHBondContact OH-CZ 3.45Å; L36-F147 HydrophobicContact CD1-CE2 4.12Å; L36-F147 HydrophobicContact CD1-CZ 4.12Å; L36-F147 HydrophobicContact CD2-CE2 4.1Å; I91-F147 HydrophobicContact CG2-CB 3.85Å; K92-F147 WeakPolarHBondContact O-CA 3.47Å; L93-F147 HydrophobicContact CB-CD1 4.36Å; L93-F147 HydrophobicContact CB-CE1 3.98Å; L93-F147 HydrophobicContact CD1-CD1 4.46Å; L93-F147 HydrophobicContact CD1-CE1 4.04Å; L93-F147 HydrophobicContact CD1-CE2 4.36Å; L93-F147 HydrophobicContact CD1-CZ 4Å; F125-F147 HydrophobicContact CD1-CE1 4.3Å; F125-F147 HydrophobicContact CD1-CZ 4.4Å; F125-F147 HydrophobicContact CD2-CZ 4.06Å; F125-F147 AromaticContact CE1-CE1 3.68Å; F125-F147 HydrophobicContact CE1-CE1 3.68Å; F125-F147 HydrophobicContact CE1-CZ 4.07Å; F125-F147 HydrophobicContact CE2-CE1 4.03Å; F125-F147 AromaticContact CE2-CZ 3.67Å; F125-F147 HydrophobicContact CE2-CZ 3.67Å; F125-F147 HydrophobicContact CG-CZ 4.4Å; F125-F147 AromaticContact CZ-CE1 3.52Å; F125-F147 HydrophobicContact CZ-CE1 3.52Å; F125-F147 AromaticContact CZ-CZ 3.68Å; F125-F147 HydrophobicContact CZ-CZ 3.68Å; L145-F147 HydrophobicContact CB-CD2 4.39Å; L145-F147 HydrophobicContact CB-CE2 3.65Å; L145-F147 HydrophobicContact CB-CZ 4.22Å; L145-F147 HydrophobicContact CD2-CE2 4.37Å; L145-F147 HydrophobicContact CD2-CZ 4.22Å; F147-V228 CarbonylContact O-C 3.51Å; F147-V228 VanDerWaalsContact O-CA 3.3Å; F147-V228 WeakPolarHBondContact O-CA 3.26Å; F147-L229 PolarHBondContact N-O 2.79Å; F147-L229 PolarHBondContact O-N 3.28Å; F147-Y231 AromaticContact CD2-CD2 3.83Å; F147-Y231 HydrophobicContact CD2-CD2 3.83Å; F147-Y231 HydrophobicContact CD2-CE2 4.14Å; F147-Y231 HydrophobicContact CE2-CD2 4.18Å
148G95.7Very high93.3Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-153.1158.8178.300000111.7I91 K92I91-G148 WeakPolarHBondContact CA-O 3.48Å; K92-G148 PolarHBondContact N-O 3.14Å; K92-G148 PolarHBondContact O-N 3.05Å; K92-G148 VanDerWaalsContact O-N 3.11Å
149S95Very high93.7Very high0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-69.8136.7170.8170.70000110D90 Y94 Y152D90-S149 WeakPolarHBondContact OD1-CB 3.21Å; D90-S149 PolarHBondContact OD1-OG 3.36Å; D90-S149 PolarHBondContact OD2-OG 3.44Å; Y94-S149 PolarHBondContact OH-O 3.44Å; S149-Y152 WeakPolarHBondContact OG-CB 3.3Å; S149-Y152 WeakPolarHBondContact OG-CD2 3.46Å; S149-Y152 PolarHBondContact OG-N 3.29Å
150M89.3Confident94.2Very high136 Ų13635.8 Ų35.867%0.6720%0.198SC*.SBendtrans-77.1-36.1179.8-16465.8-178.800112.2D90 Y94D90-M150 PolarHBondContact O-N 3.08Å; D90-M150 WeakPolarHBondContact OD2-CB 3.36Å; D90-M150 PolarHBondContact OD2-N 3.22Å; D90-M150 VanDerWaalsContact OD2-N 3.12Å; Y94-M150 HydrophobicContact CE1-SD 4.44Å
151A90.9Very high94.4Very high62 Ų6234.4 Ų34.451%0.51219%0.185SC..SBendtrans-103.6-34.6-172.800000114.2D90D90-A151 VanDerWaalsContact OD2-CB 3.24Å; D90-A151 WeakPolarHBondContact OD2-CB 3.46Å; D90-A151 PolarHBondContact OD2-N 3.32Å
152Y93.2Very high94.5Very high39 Ų3935.5 Ų35.515%0.15319%0.189CC..  trans-96.7136.5-169.3-59.1-73.4000112.5R21 W87 D90 S149 Q156 L157 Y226R21-Y152 HydrophobicContact CG-CD1 4.09Å; R21-Y152 HydrophobicContact CG-CE1 3.52Å; R21-Y152 HydrophobicContact CG-CE2 4.44Å; W87-Y152 AromaticContact CZ2-CE2 3.98Å; W87-Y152 HydrophobicContact CZ2-CE2 3.98Å; W87-Y152 PolarHBondContact NE1-OH 2.85Å; D90-Y152 WeakPolarHBondContact OD1-CD2 3.2Å; S149-Y152 WeakPolarHBondContact OG-CB 3.3Å; S149-Y152 WeakPolarHBondContact OG-CD2 3.46Å; S149-Y152 PolarHBondContact OG-N 3.29Å; Y152-Q156 HydrophobicContact CD1-CB 3.91Å; Y152-Q156 HydrophobicContact CG-CB 4.46Å; Y152-L157 HydrophobicContact CD2-CB 4.5Å; Y152-L157 HydrophobicContact CD2-CD1 3.95Å; Y152-L157 HydrophobicContact CG-CB 4.12Å; Y152-L157 HydrophobicContact CG-CD1 4.4Å; Y152-Y226 WeakPolarHBondContact O-CD1 3.3Å
153D93.2Very high94.6Very high10 Ų1034.4 Ų34.45%0.05318%0.18CC..  trans-88.1174.8170.270.123.1000111.8T155 Q156 L157 R224 Y226D153-T155 PolarHBondContact O-N 3.29Å; D153-T155 VanDerWaalsContact O-N 3.08Å; D153-T155 WeakPolarHBondContact OD1-CA 3.19Å; D153-T155 WeakPolarHBondContact OD1-CB 3.36Å; D153-T155 PolarHBondContact OD1-N 3.14Å; D153-T155 PolarHBondContact OD1-OG1 3.31Å; D153-Q156 PolarHBondContact O-N 2.93Å; D153-Q156 PolarHBondContact OD1-N 2.88Å; D153-L157 PolarHBondContact O-N 2.9Å; D153-L157 VanDerWaalsContact O-O 3.05Å; D153-R224 HydrophobicContact CB-CB 4.42Å; D153-R224 IonicContact OD2-NE 3.07Å; D153-Y226 HydrophobicContact CB-CD1 4.37Å; D153-Y226 HydrophobicContact CB-CE1 4.09Å
154K93.4Very high94.4Very high83 Ų8335.7 Ų35.736%0.36119%0.189SC..THydrogen-bonded Turntrans-54.9-26.7178.7-176.4-173.3-177.61740113.5K29 Q156 Y210 Y225K29-K154 WeakPolarHBondContact CD-O 3.49Å; K154-Q156 VanDerWaalsContact C-N 3.3Å; K154-Y210 HydrophobicContact CB-CE1 4.28Å; K154-Y210 HydrophobicContact CD-CD1 4.02Å; K154-Y210 HydrophobicContact CD-CE1 3.44Å; K154-Y210 VanDerWaalsContact CD-CE1 3.44Å; K154-Y210 WeakPolarHBondContact CE-OH 3.47Å; K154-Y210 HydrophobicContact CG-CE1 3.82Å; K154-Y225 VanDerWaalsContact CB-O 3.25Å; K154-Y225 WeakPolarHBondContact CB-O 3.41Å; K154-Y225 PolarHBondContact N-O 3.14Å
155T92.3Very high94.1Very high101 Ų10139.5 Ų39.562%0.6221%0.21SC*.THydrogen-bonded Turntrans-75.7-24.8-179.3740000111.8D153D153-T155 PolarHBondContact O-N 3.29Å; D153-T155 VanDerWaalsContact O-N 3.08Å; D153-T155 WeakPolarHBondContact OD1-CA 3.19Å; D153-T155 WeakPolarHBondContact OD1-CB 3.36Å; D153-T155 PolarHBondContact OD1-N 3.14Å; D153-T155 PolarHBondContact OD1-OG1 3.31Å
156Q93.6Very high93.7Very high62 Ų6243.9 Ų43.929%0.2926%0.255SS..THydrogen-bonded Turntrans-102.9-43-176-66176.8-32.700112.3R21 M30 Y152 D153 K154R21-Q156 VanDerWaalsContact CD-O 3.32Å; R21-Q156 WeakPolarHBondContact CD-O 3.4Å; R21-Q156 PolarHBondContact NH1-O 3.38Å; M30-Q156 PolarHBondContact N-O 3.49Å; Y152-Q156 HydrophobicContact CD1-CB 3.91Å; Y152-Q156 HydrophobicContact CG-CB 4.46Å; D153-Q156 PolarHBondContact O-N 2.93Å; D153-Q156 PolarHBondContact OD1-N 2.88Å; K154-Q156 VanDerWaalsContact C-N 3.3Å
157L95.2Very high93.4Very high0 Ų044.3 Ų44.30%026%0.259CS..EExtended strand (participates in β ladder)trans-140.2127.1-178-172153.6000109.5M30 V32 W87 P89 I91 Y152 D153 L159 P227M30-L157 CarbonylContact O-C 3.59Å; M30-L157 WeakPolarHBondContact O-CA 3.38Å; V32-L157 HydrophobicContact CG2-CD1 4.02Å; V32-L157 HydrophobicContact CG2-CD2 4.31Å; V32-L157 HydrophobicContact CG2-CG 4.16Å; W87-L157 HydrophobicContact CH2-CD1 4.04Å; W87-L157 HydrophobicContact CZ2-CD1 4.29Å; P89-L157 HydrophobicContact CB-CD1 4.36Å; I91-L157 HydrophobicContact CD1-CD2 4.19Å; Y152-L157 HydrophobicContact CD2-CB 4.5Å; Y152-L157 HydrophobicContact CD2-CD1 3.95Å; Y152-L157 HydrophobicContact CG-CB 4.12Å; Y152-L157 HydrophobicContact CG-CD1 4.4Å; D153-L157 PolarHBondContact O-N 2.9Å; D153-L157 VanDerWaalsContact O-O 3.05Å; L157-L159 HydrophobicContact CD2-CD2 4.09Å; L157-L159 HydrophobicContact CD2-CG 4Å; L157-P227 WeakPolarHBondContact O-CG 3.5Å
158D95.3Very high93.1Very high10 Ų1051.9 Ų51.95%0.05330%0.3CS..EExtended strand (participates in β ladder)trans-106.3151169.3-144-17.4000110.7K29 M30 V31 V32 K208K29-D158 HydrophobicContact CD-CB 3.81Å; K29-D158 HydrophobicContact CG-CB 4.4Å; K29-D158 IonicContact NZ-OD2 2.65Å; K29-D158 PolarHBondContact NZ-OD2 3.5Å; M30-D158 PolarHBondContact O-N 3.3Å; V31-D158 HydrophobicContact CG2-CB 4.45Å; V32-D158 PolarHBondContact N-O 2.98Å; D158-K208 WeakPolarHBondContact OD1-CE 3.31Å; D158-K208 IonicContact OD1-NZ 3.34Å; D158-K208 PolarHBondContact OD1-NZ 3.43Å; D158-K208 IonicContact OD2-NZ 2.62Å
159L96.4Very high93Very high0 Ų054.4 Ų54.40%032%0.315CS..EExtended strand (participates in β ladder)trans-114.2124.8175.9-73.6172.7000110.3V32 I91 L157 K208 P227 L229V32-L159 HydrophobicContact CB-CD2 4.01Å; V32-L159 HydrophobicContact CG1-CD2 4.29Å; V32-L159 WeakPolarHBondContact O-CA 3.37Å; I91-L159 HydrophobicContact CD1-CD1 4.23Å; I91-L159 HydrophobicContact CD1-CD2 3.66Å; I91-L159 HydrophobicContact CD1-CG 4.34Å; I91-L159 HydrophobicContact CG1-CD2 4.04Å; L157-L159 HydrophobicContact CD2-CD2 4.09Å; L157-L159 HydrophobicContact CD2-CG 4Å; L159-K208 WeakPolarHBondContact O-CD 3.46Å; L159-K208 WeakPolarHBondContact O-CE 3.37Å; L159-K208 PolarHBondContact O-NZ 3.25Å; L159-P227 HydrophobicContact CB-CB 4.23Å; L159-P227 HydrophobicContact CD1-CG 4.49Å; L159-P227 HydrophobicContact CG-CG 4.38Å; L159-L229 HydrophobicContact CB-CD1 4.19Å; L159-L229 HydrophobicContact CB-CD2 4.4Å; L159-L229 HydrophobicContact CB-CG 4.01Å
160D96.5Very high92.9Very high56 Ų5657.4 Ų57.430%0.29933%0.334SS..EExtended strand (participates in β ladder)trans-120.5157.9173.6-69.7-30.4000110.5V31 V32 Q33 Y34 K208V31-D160 HydrophobicContact CG1-CB 4.38Å; V31-D160 WeakPolarHBondContact CG1-OD2 3.48Å; V32-D160 PolarHBondContact O-N 3.29Å; Q33-D160 CarbonylContact C-O 3.6Å; Q33-D160 VanDerWaalsContact CA-O 3.29Å; Q33-D160 WeakPolarHBondContact CA-O 3.14Å; Y34-D160 PolarHBondContact N-O 3.44Å; D160-K208 IonicContact OD1-NZ 3.68Å; D160-K208 PolarHBondContact OD1-NZ 3.16Å
161F96.9Very high93.1Very high26 Ų2651.6 Ų51.611%0.11431%0.306CS..EExtended strand (participates in β ladder)trans-68.3146.1175.1-66-72.2000110.3P170 P172 K208 L229 Y231F161-P170 HydrophobicContact CB-CB 3.95Å; F161-P172 HydrophobicContact CD1-CB 4.33Å; F161-P172 HydrophobicContact CD2-CB 3.98Å; F161-P172 HydrophobicContact CE1-CB 4.31Å; F161-P172 HydrophobicContact CE2-CB 3.95Å; F161-P172 HydrophobicContact CG-CB 4.17Å; F161-P172 HydrophobicContact CZ-CB 4.11Å; F161-K208 HydrophobicContact CE2-CB 4.16Å; F161-K208 HydrophobicContact CZ-CB 4.44Å; F161-L229 HydrophobicContact CD1-CD1 4.29Å; F161-L229 HydrophobicContact CD1-CD2 4.26Å; F161-L229 HydrophobicContact CE1-CB 4.36Å; F161-L229 HydrophobicContact CE1-CD2 3.96Å; F161-L229 HydrophobicContact CE2-CD2 4.25Å; F161-L229 HydrophobicContact CZ-CD2 3.96Å; F161-Y231 HydrophobicContact CD1-CE1 4.42Å; F161-Y231 HydrophobicContact CE1-CE1 4.44Å
162W94.8Very high93.3Very high27 Ų2748.8 Ų48.810%0.10228%0.282CS..  trans-55.8140174174.1-95.3000112.5Y34 V58 R60 L118 M171Y34-W162 PolarHBondContact O-N 3Å; V58-W162 HydrophobicContact CB-CE3 4.35Å; V58-W162 HydrophobicContact CG1-CD2 3.82Å; V58-W162 HydrophobicContact CG1-CE3 3.43Å; V58-W162 VanDerWaalsContact CG1-CE3 3.43Å; V58-W162 HydrophobicContact CG1-CH2 3.54Å; V58-W162 HydrophobicContact CG1-CZ2 3.95Å; V58-W162 HydrophobicContact CG1-CZ3 3.24Å; R60-W162 HydrophobicContact CB-CE3 4.11Å; R60-W162 HydrophobicContact CB-CZ3 3.66Å; R60-W162 HydrophobicContact CG-CZ3 4.24Å; L118-W162 HydrophobicContact CD1-CH2 3.44Å; L118-W162 VanDerWaalsContact CD1-CH2 3.44Å; L118-W162 HydrophobicContact CD1-CZ3 3.68Å; W162-M171 PolarHBondContact O-N 3.14Å
163I95.2Very high93.4Very high48 Ų4848 Ų4825%0.24628%0.279CS..  trans-108.7110.7173.2-57.5176.2000107.1R60 S167 P170R60-I163 PolarHBondContact NH1-O 2.9Å; I163-S167 WeakPolarHBondContact CG2-O 3.35Å; I163-P170 HydrophobicContact CG1-CB 4.35Å
164P92.3Very high93.5Very high29 Ų2947.6 Ų47.619%0.18828%0.277CS..  trans-59.6148.4176.5-22.533.6000112.4G166 S167 M171P164-G166 PolarHBondContact O-N 3.26Å; P164-S167 PolarHBondContact O-N 3.49Å; P164-S167 VanDerWaalsContact O-N 3.12Å; P164-M171 HydrophobicContact CG-CB 4.02Å; P164-M171 HydrophobicContact CG-CE 4.3Å; P164-M171 HydrophobicContact CG-SD 4.07Å
165D87.8Confident93.5Very high130 Ų13044.9 Ų44.970%0.69527%0.267SS*.THydrogen-bonded Turntrans-63.9125.8176-62.8-24.6000109.7R60R60-D165 IonicContact CZ-OD1 3.9Å; R60-D165 IonicContact NH1-OD1 3.93Å; R60-D165 IonicContact NH2-OD1 2.7Å; R60-D165 PolarHBondContact NH2-OD1 2.97Å; R60-D165 IonicContact NH2-OD2 3.72Å
166G87.5Confident93.7Very high93 Ų9340.3 Ų40.396%0.95924%0.238SC*.THydrogen-bonded Turntrans91.73.2-17600000115.4P164P164-G166 PolarHBondContact O-N 3.26Å
167S89.8Confident93.6Very high17 Ų1739.6 Ų39.612%0.11924%0.24CC..  trans-117.5146.9166.9178.70000110.8I163 P164 T169 H197 E198I163-S167 WeakPolarHBondContact CG2-O 3.35Å; P164-S167 PolarHBondContact O-N 3.49Å; P164-S167 VanDerWaalsContact O-N 3.12Å; S167-T169 PolarHBondContact OG-N 3.44Å; S167-T169 VanDerWaalsContact OG-N 3.08Å; S167-T169 PolarHBondContact OG-O 3.4Å; S167-T169 PolarHBondContact OG-OG1 3.41Å; S167-T169 VanDerWaalsContact OG-OG1 3.11Å; S167-H197 PolarHBondContact OG-CE1 3.2Å; S167-H197 PolarHBondContact OG-NE2 2.92Å; S167-E198 PolarHBondContact OG-OE1 3.43Å
168D90Very high93.4Very high161 Ų16144 Ų4486%0.86126%0.264SS*.SBendtrans-93.4-2.6173.1-64-40.4000112.1
169T93.5Very high93.4Very high53 Ų5344 Ų4433%0.32526%0.263SS..SBendtrans-111.4141.7-174.368.70000112.1S167 H197 E198S167-T169 PolarHBondContact OG-N 3.44Å; S167-T169 VanDerWaalsContact OG-N 3.08Å; S167-T169 PolarHBondContact OG-O 3.4Å; S167-T169 PolarHBondContact OG-OG1 3.41Å; S167-T169 VanDerWaalsContact OG-OG1 3.11Å; T169-H197 PolarHBondContact O-NE2 3.01Å; T169-H197 PolarHBondContact OG1-NE2 3.28Å; T169-E198 VanDerWaalsContact OG1-CG 3.31Å; T169-E198 WeakPolarHBondContact OG1-CG 3.32Å; T169-E198 PolarHBondContact OG1-OE1 3.27Å
170P93.9Very high93.3Very high62 Ų6247.7 Ų47.740%0.40329%0.286SS..  trans-64.6146.6173.325.9-32.1000110.9F161 I163 P172F161-P170 HydrophobicContact CB-CB 3.95Å; I163-P170 HydrophobicContact CG1-CB 4.35Å; P170-P172 WeakPolarHBondContact O-CD 3.4Å
171M94Very high93.1Very high14 Ų1448.6 Ų48.67%0.06930%0.295CS..  trans-98.991.7175.4179.3175.168.500110.4W162 P164 Y173 D175 H197W162-M171 PolarHBondContact O-N 3.14Å; P164-M171 HydrophobicContact CG-CB 4.02Å; P164-M171 HydrophobicContact CG-CE 4.3Å; P164-M171 HydrophobicContact CG-SD 4.07Å; M171-Y173 PolarHBondContact O-N 3.21Å; M171-D175 HydrophobicContact CE-CB 3.85Å; M171-D175 HydrophobicContact SD-CB 4.22Å; M171-H197 HydrophobicContact CB-CB 4.21Å; M171-H197 HydrophobicContact CG-CB 3.64Å; M171-H197 HydrophobicContact SD-CB 4.05Å
172P94.7Very high92.8Very high3 Ų348.2 Ų48.22%0.01930%0.296CS..  trans-82.541.3176.337.9-40.6000111.4F161 P170 R205 S206F161-P172 HydrophobicContact CD1-CB 4.33Å; F161-P172 HydrophobicContact CD2-CB 3.98Å; F161-P172 HydrophobicContact CE1-CB 4.31Å; F161-P172 HydrophobicContact CE2-CB 3.95Å; F161-P172 HydrophobicContact CG-CB 4.17Å; F161-P172 HydrophobicContact CZ-CB 4.11Å; P170-P172 WeakPolarHBondContact O-CD 3.4Å; P172-R205 HydrophobicContact CB-CG 4.02Å; P172-R205 HydrophobicContact CG-CG 3.83Å; P172-S206 WeakPolarHBondContact O-CA 3.49Å; P172-S206 WeakPolarHBondContact O-CB 3.33Å; P172-S206 PolarHBondContact O-N 3.08Å; P172-S206 PolarHBondContact O-OG 3.12Å
173Y95Very high92.5Very high22 Ų2253.5 Ų53.59%0.08633%0.327CS..SBendtrans-133.9156.5-179.9-59-79.9000109.1M171 H197 Q203 R205M171-Y173 PolarHBondContact O-N 3.21Å; Y173-H197 HydrophobicContact CD2-CB 4.17Å; Y173-H197 WeakPolarHBondContact CE2-O 3.26Å; Y173-Q203 HydrophobicContact CD1-CB 3.78Å; Y173-Q203 HydrophobicContact CE1-CB 4.25Å; Y173-Q203 WeakPolarHBondContact CE1-O 3.3Å; Y173-R205 HydrophobicContact CE1-CB 3.95Å; Y173-R205 HydrophobicContact CE1-CG 4.33Å
174V95.3Very high92.2Very high2 Ų256.4 Ų56.41%0.01234%0.343CS..  trans-74.9132.2166.4179.30000107L36 M38 F176 R200 Q203 Y231 I233L36-V174 HydrophobicContact CD2-CG1 4.43Å; L36-V174 HydrophobicContact CD2-CG2 4.1Å; L36-V174 WeakPolarHBondContact O-CA 3.32Å; M38-V174 HydrophobicContact CB-CG1 3.85Å; M38-V174 HydrophobicContact CE-CG1 4.4Å; V174-F176 HydrophobicContact CB-CD2 4.33Å; V174-F176 HydrophobicContact CB-CE2 3.73Å; V174-F176 HydrophobicContact CB-CZ 4.44Å; V174-F176 HydrophobicContact CG1-CD2 4.21Å; V174-F176 HydrophobicContact CG1-CE2 3.73Å; V174-F176 HydrophobicContact CG1-CZ 4.14Å; V174-F176 VanDerWaalsContact O-CD2 3.27Å; V174-F176 WeakPolarHBondContact O-CD2 3.26Å; V174-R200 PolarHBondContact O-NH1 2.97Å; V174-Q203 PolarHBondContact O-OE1 3.48Å; V174-Y231 HydrophobicContact CG2-CD1 3.62Å; V174-Y231 HydrophobicContact CG2-CG 4.12Å; V174-I233 HydrophobicContact CG1-CD1 4.46Å; V174-I233 HydrophobicContact CG2-CD1 4.05Å; V174-I233 HydrophobicContact CG2-CG1 3.85Å
175D94.4Very high92.2Very high27 Ų2755.4 Ų55.414%0.14434%0.335CS..BIsolated β-bridgetrans-84.1132.8178.1-172.929.1000111L36 Q37 M38 M171 S177 R200L36-D175 PolarHBondContact O-N 3.46Å; Q37-D175 CarbonylContact C-O 3.56Å; Q37-D175 VanDerWaalsContact CA-O 3.27Å; Q37-D175 WeakPolarHBondContact CA-O 2.96Å; Q37-D175 HydrophobicContact CB-CB 4.02Å; Q37-D175 HydrophobicContact CG-CB 3.9Å; M38-D175 PolarHBondContact N-O 3.04Å; M171-D175 HydrophobicContact CE-CB 3.85Å; M171-D175 HydrophobicContact SD-CB 4.22Å; D175-S177 VanDerWaalsContact CG-OG 3.3Å; D175-S177 PolarHBondContact OD1-N 3.47Å; D175-S177 PolarHBondContact OD2-OG 3.01Å; D175-R200 IonicContact OD1-NH2 3.97Å; D175-R200 PolarHBondContact OD1-NH2 3.44Å
176F94.8Very high92.4Very high4 Ų451.5 Ų51.52%0.01831%0.312CS..  trans-117.313.3-176.5-76.1-97.8000112.3M38 V174 D178 Y179 T187 G189 R193 I233M38-F176 HydrophobicContact CB-CD1 3.96Å; M38-F176 HydrophobicContact CB-CE1 3.83Å; M38-F176 HydrophobicContact CB-CG 4.43Å; M38-F176 HydrophobicContact CB-CZ 4.23Å; M38-F176 HydrophobicContact CG-CD1 4.31Å; M38-F176 HydrophobicContact CG-CE1 3.88Å; M38-F176 HydrophobicContact CG-CZ 4.48Å; V174-F176 HydrophobicContact CB-CD2 4.33Å; V174-F176 HydrophobicContact CB-CE2 3.73Å; V174-F176 HydrophobicContact CB-CZ 4.44Å; V174-F176 HydrophobicContact CG1-CD2 4.21Å; V174-F176 HydrophobicContact CG1-CE2 3.73Å; V174-F176 HydrophobicContact CG1-CZ 4.14Å; V174-F176 VanDerWaalsContact O-CD2 3.27Å; V174-F176 WeakPolarHBondContact O-CD2 3.26Å; F176-D178 VanDerWaalsContact C-N 3.28Å; F176-D178 PolarHBondContact O-N 3.44Å; F176-Y179 HydrophobicContact CD1-CD1 4.05Å; F176-Y179 AromaticContact CD1-CD2 3.62Å; F176-Y179 HydrophobicContact CD1-CD2 3.62Å; F176-Y179 HydrophobicContact CD1-CE2 4.13Å; F176-Y179 AromaticContact CD1-CG 3.55Å; F176-Y179 HydrophobicContact CD1-CG 3.55Å; F176-Y179 AromaticContact CE1-CD2 3.92Å; F176-Y179 HydrophobicContact CE1-CD2 3.92Å; F176-Y179 AromaticContact CE1-CE2 4Å; F176-Y179 HydrophobicContact CE1-CE2 4Å; F176-Y179 HydrophobicContact CE1-CG 4.25Å; F176-Y179 WeakPolarHBondContact O-CB 3.47Å; F176-Y179 PolarHBondContact O-N 3.49Å; F176-T187 HydrophobicContact CE1-CG2 4.41Å; F176-T187 VanDerWaalsContact CE1-OG1 3.32Å; F176-T187 WeakPolarHBondContact CE1-OG1 3.35Å; F176-G189 WeakPolarHBondContact CB-O 3.32Å; F176-R193 HydrophobicContact CB-CB 4.25Å; F176-R193 WeakPolarHBondContact O-CB 3.36Å; F176-I233 HydrophobicContact CZ-CG2 4.33Å
177S92.2Very high92.6Very high47 Ų4747.3 Ų47.333%0.32927%0.268SS..THydrogen-bonded Turntrans-49.9-4417950.30000113.5Q37 D175Q37-S177 PolarHBondContact NE2-OG 3.43Å; D175-S177 VanDerWaalsContact CG-OG 3.3Å; D175-S177 PolarHBondContact OD1-N 3.47Å; D175-S177 PolarHBondContact OD2-OG 3.01Å
178D91.6Very high92.6Very high93 Ų9347.4 Ų47.450%0.49727%0.267SS..THydrogen-bonded Turntrans-9916.4179.4-68.4-23.4000113.4Q37 F176 V180Q37-D178 PolarHBondContact NE2-OD2 3.32Å; F176-D178 VanDerWaalsContact C-N 3.28Å; F176-D178 PolarHBondContact O-N 3.44Å; D178-V180 PolarHBondContact O-N 3.36Å
179Y94.7Very high92.4Very high9 Ų939.8 Ų39.84%0.03523%0.227CC..PPolyproline II helixtrans-73.5129.9-172.1-178.6-105.1000112.9M38 I39 L41 F176 P181 E190M38-Y179 HydrophobicContact CB-CD2 4.08Å; M38-Y179 HydrophobicContact CG-CD2 3.5Å; M38-Y179 VanDerWaalsContact CG-CD2 3.5Å; M38-Y179 HydrophobicContact CG-CE2 3.68Å; I39-Y179 WeakPolarHBondContact O-CA 3.03Å; L41-Y179 HydrophobicContact CB-CE2 4.08Å; L41-Y179 WeakPolarHBondContact CB-OH 3.16Å; F176-Y179 HydrophobicContact CD1-CD1 4.05Å; F176-Y179 AromaticContact CD1-CD2 3.62Å; F176-Y179 HydrophobicContact CD1-CD2 3.62Å; F176-Y179 HydrophobicContact CD1-CE2 4.13Å; F176-Y179 AromaticContact CD1-CG 3.55Å; F176-Y179 HydrophobicContact CD1-CG 3.55Å; F176-Y179 AromaticContact CE1-CD2 3.92Å; F176-Y179 HydrophobicContact CE1-CD2 3.92Å; F176-Y179 AromaticContact CE1-CE2 4Å; F176-Y179 HydrophobicContact CE1-CE2 4Å; F176-Y179 HydrophobicContact CE1-CG 4.25Å; F176-Y179 WeakPolarHBondContact O-CB 3.47Å; F176-Y179 PolarHBondContact O-N 3.49Å; Y179-P181 HydrophobicContact CE1-CB 4.48Å; Y179-E190 HydrophobicContact CD1-CG 3.53Å; Y179-E190 HydrophobicContact CE1-CG 3.23Å; Y179-E190 WeakPolarHBondContact CE1-OE1 3.41Å; Y179-E190 PolarHBondContact OH-OE1 3.47Å
180V94.2Very high92.2Very high79 Ų7938.2 Ų38.248%0.47922%0.216SC..BIsolated β-bridgetrans-94.7117.9169.6-177.50000109.2I39 D178I39-V180 PolarHBondContact O-N 3.19Å; D178-V180 PolarHBondContact O-N 3.36Å
181P92.6Very high91.9Very high75 Ų7538.1 Ų38.149%0.48722%0.22SC..PPolyproline II helixtrans-54.9139.9179.2-2735.5000114Y179Y179-P181 HydrophobicContact CE1-CB 4.48Å
182A90.9Very high91.6Very high18 Ų1837.6 Ų37.615%0.14922%0.218CC..PPolyproline II helixtrans-93.5150.5172.800000110.6L41L41-A182 HydrophobicContact CB-CB 4.38Å
183N88.8Confident91.3Very high138 Ų13842.6 Ų42.674%0.73824%0.236SC*.SBendtrans-77.7-33.1-178.7-66.4-17.7000112.9N238N183-N238 WeakPolarHBondContact O-CB 3.37Å; N183-N238 PolarHBondContact O-ND2 3.21Å
184D88.5Confident91Very high109 Ų10948.8 Ų48.858%0.58327%0.265SS*.SBendtrans-91.5-21.8-171.3-60.4-23.6000112.8N238D184-N238 PolarHBondContact O-N 3.27Å
185W92Very high90.8Very high7 Ų751.9 Ų51.93%0.02728%0.281CS..EExtended strand (participates in β ladder)trans-140.8130.9-169.7-65.799.1000110.9L41 L44 E46 Q141 I235 Y236 R237L41-W185 HydrophobicContact CD2-CB 3.51Å; L41-W185 HydrophobicContact CD2-CG 4.12Å; L44-W185 HydrophobicContact CB-CZ2 3.91Å; L44-W185 HydrophobicContact CD2-CH2 3.82Å; L44-W185 HydrophobicContact CD2-CZ2 3.79Å; L44-W185 HydrophobicContact CG-CZ2 4.39Å; E46-W185 WeakPolarHBondContact OE1-CZ2 3.31Å; Q141-W185 HydrophobicContact CG-CH2 3.84Å; Q141-W185 HydrophobicContact CG-CZ3 3.9Å; W185-I235 HydrophobicContact CD2-CD1 3.84Å; W185-I235 HydrophobicContact CD2-CG1 4.31Å; W185-I235 HydrophobicContact CE3-CB 3.98Å; W185-I235 HydrophobicContact CE3-CD1 3.61Å; W185-I235 HydrophobicContact CE3-CG1 3.6Å; W185-I235 HydrophobicContact CG-CD1 4.41Å; W185-I235 HydrophobicContact CH2-CD1 4.34Å; W185-I235 HydrophobicContact CZ3-CD1 3.89Å; W185-I235 HydrophobicContact CZ3-CG1 3.82Å; W185-Y236 CarbonylContact C-O 3.51Å; W185-Y236 WeakPolarHBondContact CA-O 3.42Å; W185-R237 HydrophobicContact CE3-CB 4.15Å; W185-R237 HydrophobicContact CH2-CB 4.2Å; W185-R237 VanDerWaalsContact CH2-CZ 3.42Å; W185-R237 VanDerWaalsContact CZ2-NH1 3.35Å; W185-R237 HydrophobicContact CZ3-CB 3.8Å
186F91.4Very high90.5Very high49 Ų4958.3 Ų58.322%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-101152.1169.4-55.5-74.3000109.8I235 Y236 N238 L499F186-I235 CarbonylContact O-C 3.55Å; F186-I235 WeakPolarHBondContact O-CA 3.12Å; F186-Y236 PolarHBondContact N-O 3Å; F186-Y236 PolarHBondContact O-N 3.45Å; F186-N238 HydrophobicContact CD2-CB 4.37Å; F186-N238 HydrophobicContact CE2-CB 3.57Å; F186-N238 HydrophobicContact CZ-CB 4.13Å; F186-L499 HydrophobicContact CE2-CD2 3.96Å; F186-L499 HydrophobicContact CZ-CD2 4.46Å
187T92Very high90.3Very high5 Ų558.9 Ų58.93%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-128.4150177750000111L41 F176 G189 E190 I235L41-T187 HydrophobicContact CD2-CG2 4Å; F176-T187 HydrophobicContact CE1-CG2 4.41Å; F176-T187 VanDerWaalsContact CE1-OG1 3.32Å; F176-T187 WeakPolarHBondContact CE1-OG1 3.35Å; T187-G189 PolarHBondContact O-N 3.26Å; T187-E190 PolarHBondContact N-OE1 2.99Å; T187-E190 WeakPolarHBondContact O-CB 3.34Å; T187-E190 PolarHBondContact O-N 3.03Å; T187-E190 PolarHBondContact OG1-N 3.43Å; T187-E190 PolarHBondContact OG1-OE1 3.41Å; T187-I235 HydrophobicContact CG2-CB 4.43Å; T187-I235 HydrophobicContact CG2-CG2 3.71Å
188D89.1Confident90.3Very high18 Ų1861.2 Ų61.210%0.09631%0.312CS..Hα-helixtrans-57.4-32.2175.7-67.4-39000111.3E190 A191 H202 Q203 R234 Y236D188-E190 VanDerWaalsContact C-N 3.29Å; D188-E190 PolarHBondContact O-N 3.28Å; D188-A191 PolarHBondContact O-N 3.02Å; D188-H202 HydrophobicContact CB-CB 4.31Å; D188-Q203 HydrophobicContact CB-CG 4.22Å; D188-R234 WeakPolarHBondContact OD2-CB 3.3Å; D188-R234 WeakPolarHBondContact OD2-CD 3.38Å; D188-R234 IonicContact OD2-NE 3.85Å; D188-Y236 WeakPolarHBondContact OD1-CE2 3.28Å; D188-Y236 PolarHBondContact OD1-OH 2.85Å
189G87.6Confident90.3Very high2 Ų260.9 Ų60.92%0.02131%0.31CS..Hα-helixtrans-67.6-23.6-177.800000115.2F176 T187 A191 E192 R193F176-G189 WeakPolarHBondContact CB-O 3.32Å; T187-G189 PolarHBondContact O-N 3.26Å; G189-A191 VanDerWaalsContact C-N 3.34Å; G189-A191 PolarHBondContact O-N 2.95Å; G189-E192 PolarHBondContact O-N 3.39Å; G189-R193 PolarHBondContact O-N 2.92Å; G189-R193 VanDerWaalsContact O-N 3.11Å
190E89.6Confident90.1Very high19 Ų1961.2 Ų61.29%0.08931%0.311CS..Hα-helixtrans-61.5-42.1175.4-76.3160.8-15200112.5Y179 T187 D188 E192 R502Y179-E190 HydrophobicContact CD1-CG 3.53Å; Y179-E190 HydrophobicContact CE1-CG 3.23Å; Y179-E190 WeakPolarHBondContact CE1-OE1 3.41Å; Y179-E190 PolarHBondContact OH-OE1 3.47Å; T187-E190 PolarHBondContact N-OE1 2.99Å; T187-E190 WeakPolarHBondContact O-CB 3.34Å; T187-E190 PolarHBondContact O-N 3.03Å; T187-E190 PolarHBondContact OG1-N 3.43Å; T187-E190 PolarHBondContact OG1-OE1 3.41Å; D188-E190 VanDerWaalsContact C-N 3.29Å; D188-E190 PolarHBondContact O-N 3.28Å; E190-E192 VanDerWaalsContact C-N 3.29Å; E190-E192 PolarHBondContact O-N 2.99Å; E190-R502 IonicContact OE2-NH1 2.8Å; E190-R502 PolarHBondContact OE2-NH1 2.84Å; E190-R502 IonicContact OE2-NH2 2.66Å
191A85.9Confident89.9Confident60 Ų6063.4 Ų63.450%0.49632%0.324SS..Hα-helixtrans-70.2-29.8-178.300000111.8D188 G189D188-A191 PolarHBondContact O-N 3.02Å; G189-A191 VanDerWaalsContact C-N 3.34Å; G189-A191 PolarHBondContact O-N 2.95Å
192E88.5Confident89.7Confident4 Ų465.3 Ų65.32%0.01933%0.327CS..THydrogen-bonded Turntrans-105.714.2-174.2-56.4-170.4135.400113.6G189 E190 H194 I195 R200 V201 H202 Q203G189-E192 PolarHBondContact O-N 3.39Å; E190-E192 VanDerWaalsContact C-N 3.29Å; E190-E192 PolarHBondContact O-N 2.99Å; E192-H194 PolarHBondContact O-N 3.06Å; E192-I195 HydrophobicContact CB-CB 4.29Å; E192-I195 HydrophobicContact CB-CD1 4.12Å; E192-I195 HydrophobicContact CB-CG1 4.47Å; E192-I195 HydrophobicContact CG-CD1 4.08Å; E192-I195 PolarHBondContact O-N 3.42Å; E192-R200 HydrophobicContact CB-CG 4.22Å; E192-R200 WeakPolarHBondContact OE2-CB 3.49Å; E192-V201 PolarHBondContact OE1-N 3.05Å; E192-H202 HydrophobicContact CG-CB 4.24Å; E192-H202 IonicContact OE1-CD2 3.24Å; E192-H202 PolarHBondContact OE1-CD2 3.33Å; E192-H202 IonicContact OE1-CG 2.88Å; E192-H202 PolarHBondContact OE1-N 3.32Å; E192-H202 PolarHBondContact OE2-N 2.81Å; E192-Q203 WeakPolarHBondContact OE2-CG 3.45Å; E192-Q203 PolarHBondContact OE2-N 3.42Å
193R87.8Confident89.7Confident107 Ų10765.2 Ų65.240%0.40432%0.323SS..THydrogen-bonded Turntrans-58.2-31.7-175.667.6-180179.8169.6-1114.5F176 G189F176-R193 HydrophobicContact CB-CB 4.25Å; F176-R193 WeakPolarHBondContact O-CB 3.36Å; G189-R193 PolarHBondContact O-N 2.92Å; G189-R193 VanDerWaalsContact O-N 3.11Å
194H88.8Confident89.9Confident152 Ų15260.7 Ų60.770%0.70430%0.298SS*.THydrogen-bonded Turntrans-97.90.5-179.6-61.4-47.8000113E192E192-H194 PolarHBondContact O-N 3.06Å
195I90.5Very high90.2Very high67 Ų6762.9 Ų62.934%0.34430%0.299SS..SBendtrans-93.6133.8-178.1-58.1179.8000108.6E192 D199 R200E192-I195 HydrophobicContact CB-CB 4.29Å; E192-I195 HydrophobicContact CB-CD1 4.12Å; E192-I195 HydrophobicContact CB-CG1 4.47Å; E192-I195 HydrophobicContact CG-CD1 4.08Å; E192-I195 PolarHBondContact O-N 3.42Å; I195-D199 HydrophobicContact CG2-CB 3.77Å; I195-R200 HydrophobicContact CB-CG 4.48Å; I195-R200 HydrophobicContact CG2-CG 4.22Å; I195-R200 PolarHBondContact O-NE 3.25Å; I195-R200 VanDerWaalsContact O-NE 3.08Å; I195-R200 PolarHBondContact O-NH2 2.85Å
196R89.6Confident90.4Very high162 Ų16262.8 Ų62.861%0.61130%0.299SS*.  trans-59.4143174.7-62.4-174.3-56.8172.16.9109.7E198 D199R196-E198 PolarHBondContact O-N 3.46Å; R196-E198 VanDerWaalsContact O-N 3.08Å; R196-D199 IonicContact CZ-OD2 3.59Å; R196-D199 IonicContact NE-OD2 3.57Å; R196-D199 PolarHBondContact NE-OD2 2.93Å; R196-D199 IonicContact NH2-OD2 3.98Å; R196-D199 PolarHBondContact NH2-OD2 2.92Å; R196-D199 PolarHBondContact O-N 2.95Å
197H91.2Very high90.6Very high16 Ų1663.2 Ų63.27%0.07431%0.305CS..G310 helixtrans-61.8-23.9-172.162.1-78000114.7S167 T169 M171 Y173 D199S167-H197 PolarHBondContact OG-CE1 3.2Å; S167-H197 PolarHBondContact OG-NE2 2.92Å; T169-H197 PolarHBondContact O-NE2 3.01Å; T169-H197 PolarHBondContact OG1-NE2 3.28Å; M171-H197 HydrophobicContact CB-CB 4.21Å; M171-H197 HydrophobicContact CG-CB 3.64Å; M171-H197 HydrophobicContact SD-CB 4.05Å; Y173-H197 HydrophobicContact CD2-CB 4.17Å; Y173-H197 WeakPolarHBondContact CE2-O 3.26Å; H197-D199 VanDerWaalsContact C-N 3.27Å; H197-D199 PolarHBondContact O-N 3.2Å
198E90.3Very high90.7Very high97 Ų9765.5 Ų65.545%0.45332%0.315SS..G310 helixtrans-67-29.6175.6-67.3165-167.700112.3S167 T169 R196S167-E198 PolarHBondContact OG-OE1 3.43Å; T169-E198 VanDerWaalsContact OG1-CG 3.31Å; T169-E198 WeakPolarHBondContact OG1-CG 3.32Å; T169-E198 PolarHBondContact OG1-OE1 3.27Å; R196-E198 PolarHBondContact O-N 3.46Å; R196-E198 VanDerWaalsContact O-N 3.08Å
199D92Very high91.1Very high85 Ų8570.3 Ų70.346%0.45533%0.332SS..G310 helixtrans-100.73.3-173.7-58.2-46.8000112.3I195 R196 H197I195-D199 HydrophobicContact CG2-CB 3.77Å; R196-D199 IonicContact CZ-OD2 3.59Å; R196-D199 IonicContact NE-OD2 3.57Å; R196-D199 PolarHBondContact NE-OD2 2.93Å; R196-D199 IonicContact NH2-OD2 3.98Å; R196-D199 PolarHBondContact NH2-OD2 2.92Å; R196-D199 PolarHBondContact O-N 2.95Å; H197-D199 VanDerWaalsContact C-N 3.27Å; H197-D199 PolarHBondContact O-N 3.2Å
200R91.2Very high91.4Very high17 Ų1774.2 Ų74.26%0.06435%0.346CS..  trans-77.9125.9-178.6-68.4178.4-173.4176.11.7111.6V174 D175 E192 I195V174-R200 PolarHBondContact O-NH1 2.97Å; D175-R200 IonicContact OD1-NH2 3.97Å; D175-R200 PolarHBondContact OD1-NH2 3.44Å; E192-R200 HydrophobicContact CB-CG 4.22Å; E192-R200 WeakPolarHBondContact OE2-CB 3.49Å; I195-R200 HydrophobicContact CB-CG 4.48Å; I195-R200 HydrophobicContact CG2-CG 4.22Å; I195-R200 PolarHBondContact O-NE 3.25Å; I195-R200 VanDerWaalsContact O-NE 3.08Å; I195-R200 PolarHBondContact O-NH2 2.85Å
201V89.4Confident91.6Very high124 Ų12477.3 Ų77.375%0.75236%0.357SS*.  trans-119.4-31.9-175.7-177.30000112E192E192-V201 PolarHBondContact OE1-N 3.05Å
202H88Confident91.9Very high116 Ų11677.8 Ų77.854%0.53735%0.354SS..SBendtrans-80.1-40.5-176.8-64.9-68.2000112.5D188 E192D188-H202 HydrophobicContact CB-CB 4.31Å; E192-H202 HydrophobicContact CG-CB 4.24Å; E192-H202 IonicContact OE1-CD2 3.24Å; E192-H202 PolarHBondContact OE1-CD2 3.33Å; E192-H202 IonicContact OE1-CG 2.88Å; E192-H202 PolarHBondContact OE1-N 3.32Å; E192-H202 PolarHBondContact OE2-N 2.81Å
203Q92.1Very high92Very high15 Ų1584.7 Ų84.77%0.0738%0.38CS..SBendtrans-63.3138.8179.7-75.5-176.460.700112.9Y173 V174 D188 E192 R205Y173-Q203 HydrophobicContact CD1-CB 3.78Å; Y173-Q203 HydrophobicContact CE1-CB 4.25Å; Y173-Q203 WeakPolarHBondContact CE1-O 3.3Å; V174-Q203 PolarHBondContact O-OE1 3.48Å; D188-Q203 HydrophobicContact CB-CG 4.22Å; E192-Q203 WeakPolarHBondContact OE2-CG 3.45Å; E192-Q203 PolarHBondContact OE2-N 3.42Å; Q203-R205 PolarHBondContact O-N 2.94Å
204L92.8Very high92.1Very high43 Ų4384.7 Ų84.723%0.22538%0.384CS..PPolyproline II helixtrans-64.7121.8171.2-71.8-179.9000110.9V142 S206 L232 R234V142-L204 HydrophobicContact CG1-CD1 3.66Å; V142-L204 HydrophobicContact CG2-CD1 4.13Å; L204-S206 PolarHBondContact O-N 3.39Å; L204-L232 HydrophobicContact CB-CB 3.83Å; L204-L232 HydrophobicContact CD1-CB 4.16Å; L204-R234 HydrophobicContact CD1-CB 3.91Å; L204-R234 HydrophobicContact CG-CB 4.36Å
205R94Very high91.9Very high156 Ų15681.3 Ų81.359%0.58937%0.368SS*.PPolyproline II helixtrans-64.4123.6173.6-169.7179.2178.4107.1-4.4110.4P172 Y173 Q203P172-R205 HydrophobicContact CB-CG 4.02Å; P172-R205 HydrophobicContact CG-CG 3.83Å; Y173-R205 HydrophobicContact CE1-CB 3.95Å; Y173-R205 HydrophobicContact CE1-CG 4.33Å; Q203-R205 PolarHBondContact O-N 2.94Å
206S96Very high91.8Very high4 Ų484.5 Ų84.53%0.02839%0.386CS..PPolyproline II helixtrans-69.3151.4175.3-57.40000110.9P172 L204 R230 Y231P172-S206 WeakPolarHBondContact O-CA 3.49Å; P172-S206 WeakPolarHBondContact O-CB 3.33Å; P172-S206 PolarHBondContact O-N 3.08Å; P172-S206 PolarHBondContact O-OG 3.12Å; L204-S206 PolarHBondContact O-N 3.39Å; S206-R230 WeakPolarHBondContact CA-O 3.37Å; S206-R230 WeakPolarHBondContact CB-O 3.37Å; S206-Y231 WeakPolarHBondContact OG-CA 3.15Å; S206-Y231 WeakPolarHBondContact OG-CD1 3.28Å
207V95.7Very high91.6Very high58 Ų5881.2 Ų81.235%0.35238%0.379SS..EExtended strand (participates in β ladder)trans-125.3131.7-170.6-176.20000111R209 R230V207-R209 HydrophobicContact CG1-CG 3.91Å; V207-R230 PolarHBondContact N-O 3Å; V207-R230 WeakPolarHBondContact O-CB 3.44Å; V207-R230 PolarHBondContact O-N 2.93Å
208K95.9Very high91.5Very high53 Ų5384.1 Ų84.123%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-82123.4166.4-178.1173.6179.31750109.1D158 L159 D160 F161 Y210 V228 L229D158-K208 WeakPolarHBondContact OD1-CE 3.31Å; D158-K208 IonicContact OD1-NZ 3.34Å; D158-K208 PolarHBondContact OD1-NZ 3.43Å; D158-K208 IonicContact OD2-NZ 2.62Å; L159-K208 WeakPolarHBondContact O-CD 3.46Å; L159-K208 WeakPolarHBondContact O-CE 3.37Å; L159-K208 PolarHBondContact O-NZ 3.25Å; D160-K208 IonicContact OD1-NZ 3.68Å; D160-K208 PolarHBondContact OD1-NZ 3.16Å; F161-K208 HydrophobicContact CE2-CB 4.16Å; F161-K208 HydrophobicContact CZ-CB 4.44Å; K208-Y210 WeakPolarHBondContact CE-OH 3.32Å; K208-V228 CarbonylContact C-O 3.58Å; K208-V228 WeakPolarHBondContact CA-O 3.26Å; K208-L229 HydrophobicContact CB-CD2 3.83Å; K208-L229 HydrophobicContact CD-CD2 4.19Å; K208-L229 HydrophobicContact CG-CD2 3.88Å
209R95.5Very high91.3Very high120 Ų12085.2 Ų85.245%0.45343%0.432SS..EExtended strand (participates in β ladder)trans-123.6162.6176.9-64.7-170.1177.9-164.9-0.1110V207 V228 R230V207-R209 HydrophobicContact CG1-CG 3.91Å; R209-V228 PolarHBondContact N-O 3.44Å; R209-V228 PolarHBondContact O-N 2.99Å; R209-R230 VanDerWaalsContact CZ-NH1 3.32Å
210Y94.8Very high91.1Very high83 Ų8384.6 Ų84.633%0.32543%0.431SS..EExtended strand (participates in β ladder)trans-115.9124.2171.7-65.3-81.4000109.2K154 K208 Y226 P227K154-Y210 HydrophobicContact CB-CE1 4.28Å; K154-Y210 HydrophobicContact CD-CD1 4.02Å; K154-Y210 HydrophobicContact CD-CE1 3.44Å; K154-Y210 VanDerWaalsContact CD-CE1 3.44Å; K154-Y210 WeakPolarHBondContact CE-OH 3.47Å; K154-Y210 HydrophobicContact CG-CE1 3.82Å; K208-Y210 WeakPolarHBondContact CE-OH 3.32Å; Y210-Y226 CarbonylContact C-O 3.4Å; Y210-Y226 VanDerWaalsContact CA-O 3.32Å; Y210-Y226 WeakPolarHBondContact CA-O 3.31Å; Y210-P227 HydrophobicContact CD1-CB 4.14Å; Y210-P227 HydrophobicContact CE1-CB 3.82Å
211R92.9Very high90.9Very high85 Ų8589.6 Ų89.632%0.32145%0.453SS..EExtended strand (participates in β ladder)trans-86.5124.8169-73.5-174.8176.9-167.3-5.2108.4Y94 E146 Y226 V228Y94-R211 VanDerWaalsContact CD2-CZ 3.45Å; Y94-R211 VanDerWaalsContact CD2-NH1 3.26Å; E146-R211 IonicContact OE2-CZ 3.9Å; E146-R211 IonicContact OE2-NH2 2.8Å; E146-R211 PolarHBondContact OE2-NH2 3.43Å; R211-Y226 PolarHBondContact N-O 3.43Å; R211-Y226 PolarHBondContact O-N 2.89Å; R211-V228 HydrophobicContact CB-CG2 4.4Å; R211-V228 HydrophobicContact CG-CG2 3.88Å
212V93.2Very high90.9Very high69 Ų6987.6 Ų87.642%0.41844%0.436SS..EExtended strand (participates in β ladder)trans-92.5129.6177.6-170.50000108.7E223 R224 Y225V212-E223 HydrophobicContact CG1-CB 4.13Å; V212-E223 HydrophobicContact CG1-CG 4.23Å; V212-R224 WeakPolarHBondContact CA-O 3.29Å; V212-Y225 HydrophobicContact CG1-CE1 4.37Å; V212-Y225 HydrophobicContact CG2-CD1 3.62Å; V212-Y225 HydrophobicContact CG2-CE1 3.5Å; V212-Y225 VanDerWaalsContact CG2-CE1 3.5Å
213R90.8Very high91.1Very high149 Ų14987 Ų8756%0.56243%0.433SS*.EExtended strand (participates in β ladder)trans-123.3133.4170.1-66.6-66.1-169176.51.6109.2H215 R224 Y226R213-H215 WeakPolarHBondContact CB-NE2 3.47Å; R213-R224 PolarHBondContact N-O 3.42Å; R213-R224 PolarHBondContact O-N 3.42Å; R213-Y226 HydrophobicContact CB-CD2 4.4Å; R213-Y226 HydrophobicContact CB-CE2 3.99Å; R213-Y226 HydrophobicContact CG-CD2 4.2Å; R213-Y226 HydrophobicContact CG-CE2 4.11Å
214E89.4Confident91.2Very high107 Ų10790.9 Ų90.950%0.545%0.447SS..EExtended strand (participates in β ladder)trans-98.6126179-54.2-179.5140.200108K221 E223E214-K221 HydrophobicContact CB-CG 4.45Å; E214-K221 WeakPolarHBondContact OE1-CE 3.48Å; E214-K221 IonicContact OE1-NZ 2.78Å; E214-K221 PolarHBondContact OE1-NZ 3.36Å; E214-K221 WeakPolarHBondContact OE2-CE 3.38Å; E214-K221 IonicContact OE2-NZ 2.66Å; E214-K221 PolarHBondContact OE2-NZ 3.49Å; E214-E223 HydrophobicContact CG-CG 4.17Å
215H85.2Confident91.3Very high81 Ų8194 Ų9438%0.37546%0.456SS..EExtended strand (participates in β ladder)trans-123.6134176.9-64.9-92.2000109.1R213 H222R213-H215 WeakPolarHBondContact CB-NE2 3.47Å; H215-H222 PolarHBondContact N-O 3.49Å; H215-H222 PolarHBondContact O-N 2.93Å
216L87.4Confident91.3Very high134 Ų13487.9 Ų87.970%0.70243%0.434SS*.EExtended strand (participates in β ladder)trans-86.7119.3173.1-66.9165.7000108.2K221L216-K221 HydrophobicContact CD2-CB 4.11Å; L216-K221 HydrophobicContact CD2-CG 4.37Å
217I85.8Confident91.4Very high94 Ų9487.7 Ų87.748%0.48243%0.432SS..EExtended strand (participates in β ladder)trans-113.8101.5171.3-57.7176.5000105.9S219 T220I217-S219 PolarHBondContact O-N 3.35Å; I217-T220 PolarHBondContact N-O 2.78Å; I217-T220 PolarHBondContact O-N 2.66Å; I217-T220 PolarHBondContact O-OG1 3.49Å
218G88.3Confident91.4Very high76 Ų7685 Ų8578%0.78442%0.416SS*.THydrogen-bonded Turntrans66.6-126.2-167.200000111
219S86.2Confident91.5Very high121 Ų12182.5 Ų82.585%0.84641%0.405SS*.THydrogen-bonded Turntrans-94.3-5.6176.654.70000113.9I217I217-S219 PolarHBondContact O-N 3.35Å
220T87.9Confident91.6Very high72 Ų7279 Ų7944%0.44239%0.392SS..EExtended strand (participates in β ladder)trans-96.8130.3-177.245.30000111.5I217 H222I217-T220 PolarHBondContact N-O 2.78Å; I217-T220 PolarHBondContact O-N 2.66Å; I217-T220 PolarHBondContact O-OG1 3.49Å; T220-H222 PolarHBondContact O-CD2 2.86Å; T220-H222 PolarHBondContact OG1-NE2 3.33Å
221K88.7Confident91.7Very high121 Ų12175 Ų7553%0.52638%0.376SS..EExtended strand (participates in β ladder)trans-84.7117.4175.7-168.8-178.8-177.9-168.70109.2E214 L216E214-K221 HydrophobicContact CB-CG 4.45Å; E214-K221 WeakPolarHBondContact OE1-CE 3.48Å; E214-K221 IonicContact OE1-NZ 2.78Å; E214-K221 PolarHBondContact OE1-NZ 3.36Å; E214-K221 WeakPolarHBondContact OE2-CE 3.38Å; E214-K221 IonicContact OE2-NZ 2.66Å; E214-K221 PolarHBondContact OE2-NZ 3.49Å; L216-K221 HydrophobicContact CD2-CB 4.11Å; L216-K221 HydrophobicContact CD2-CG 4.37Å
222H89Confident91.8Very high83 Ų8372.8 Ų72.838%0.38437%0.371SS..EExtended strand (participates in β ladder)trans-111126.1178-67.2-87.3000110.5H215 T220H215-H222 PolarHBondContact N-O 3.49Å; H215-H222 PolarHBondContact O-N 2.93Å; T220-H222 PolarHBondContact O-CD2 2.86Å; T220-H222 PolarHBondContact OG1-NE2 3.33Å
223E92.4Very high91.8Very high102 Ų10270 Ų7048%0.47735%0.353SS..EExtended strand (participates in β ladder)trans-89.3130.8172.8-70-179.8-165.200110.4V212 E214 Y225V212-E223 HydrophobicContact CG1-CB 4.13Å; V212-E223 HydrophobicContact CG1-CG 4.23Å; E214-E223 HydrophobicContact CG-CG 4.17Å; E223-Y225 PolarHBondContact OE2-OH 3.07Å
224R92.4Very high92Very high98 Ų9866.9 Ų66.937%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-118136.8171.6-69.4-172.3179.1-178.9-0.9110.2D153 V212 R213 Y226D153-R224 HydrophobicContact CB-CB 4.42Å; D153-R224 IonicContact OD2-NE 3.07Å; V212-R224 WeakPolarHBondContact CA-O 3.29Å; R213-R224 PolarHBondContact N-O 3.42Å; R213-R224 PolarHBondContact O-N 3.42Å; R224-Y226 HydrophobicContact CB-CD2 4.46Å; R224-Y226 HydrophobicContact CB-CE2 3.69Å
225Y95.1Very high92.2Very high107 Ų10761.8 Ų61.842%0.4232%0.317SS..EExtended strand (participates in β ladder)trans-103.7122.8179.9-62.2-91.8000109.6K154 V212 E223K154-Y225 VanDerWaalsContact CB-O 3.25Å; K154-Y225 WeakPolarHBondContact CB-O 3.41Å; K154-Y225 PolarHBondContact N-O 3.14Å; V212-Y225 HydrophobicContact CG1-CE1 4.37Å; V212-Y225 HydrophobicContact CG2-CD1 3.62Å; V212-Y225 HydrophobicContact CG2-CE1 3.5Å; V212-Y225 VanDerWaalsContact CG2-CE1 3.5Å; E223-Y225 PolarHBondContact OE2-OH 3.07Å
226Y95.2Very high92.5Very high29 Ų2959.6 Ų59.611%0.11431%0.306CS..EExtended strand (participates in β ladder)trans-106.7117.8178.2-67.7-94.5000109.3Y152 D153 Y210 R211 R213 R224Y152-Y226 WeakPolarHBondContact O-CD1 3.3Å; D153-Y226 HydrophobicContact CB-CD1 4.37Å; D153-Y226 HydrophobicContact CB-CE1 4.09Å; Y210-Y226 CarbonylContact C-O 3.4Å; Y210-Y226 VanDerWaalsContact CA-O 3.32Å; Y210-Y226 WeakPolarHBondContact CA-O 3.31Å; R211-Y226 PolarHBondContact N-O 3.43Å; R211-Y226 PolarHBondContact O-N 2.89Å; R213-Y226 HydrophobicContact CB-CD2 4.4Å; R213-Y226 HydrophobicContact CB-CE2 3.99Å; R213-Y226 HydrophobicContact CG-CD2 4.2Å; R213-Y226 HydrophobicContact CG-CE2 4.11Å; R224-Y226 HydrophobicContact CB-CD2 4.46Å; R224-Y226 HydrophobicContact CB-CE2 3.69Å
227P96.8Very high92.7Very high0 Ų054 Ų540%028%0.276CS..EExtended strand (participates in β ladder)trans-67.7135.7177.728.2-32.2000110.4L157 L159 Y210L157-P227 WeakPolarHBondContact O-CG 3.5Å; L159-P227 HydrophobicContact CB-CB 4.23Å; L159-P227 HydrophobicContact CD1-CG 4.49Å; L159-P227 HydrophobicContact CG-CG 4.38Å; Y210-P227 HydrophobicContact CD1-CB 4.14Å; Y210-P227 HydrophobicContact CE1-CB 3.82Å
228V97Very high92.9Very high1 Ų151.4 Ų51.41%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-134.6126.3178.5-1770000109.3Y94 E146 F147 K208 R209 R211Y94-V228 HydrophobicContact CD2-CG1 4.23Å; Y94-V228 HydrophobicContact CD2-CG2 3.84Å; Y94-V228 HydrophobicContact CE2-CG2 3.4Å; Y94-V228 VanDerWaalsContact CE2-CG2 3.4Å; E146-V228 HydrophobicContact CB-CG1 3.86Å; E146-V228 HydrophobicContact CG-CG1 4.36Å; F147-V228 CarbonylContact O-C 3.51Å; F147-V228 VanDerWaalsContact O-CA 3.3Å; F147-V228 WeakPolarHBondContact O-CA 3.26Å; K208-V228 CarbonylContact C-O 3.58Å; K208-V228 WeakPolarHBondContact CA-O 3.26Å; R209-V228 PolarHBondContact N-O 3.44Å; R209-V228 PolarHBondContact O-N 2.99Å; R211-V228 HydrophobicContact CB-CG2 4.4Å; R211-V228 HydrophobicContact CG-CG2 3.88Å
229L97.4Very high93Very high0 Ų048.3 Ų48.30%023%0.229CC..EExtended strand (participates in β ladder)trans-92.7116.9169.1-59.8-178.4000108.8Y34 E146 F147 L159 F161 K208 Y231Y34-L229 HydrophobicContact CD1-CD1 4.26Å; Y34-L229 HydrophobicContact CG-CD1 4.48Å; E146-L229 WeakPolarHBondContact CA-O 3.48Å; F147-L229 PolarHBondContact N-O 2.79Å; F147-L229 PolarHBondContact O-N 3.28Å; L159-L229 HydrophobicContact CB-CD1 4.19Å; L159-L229 HydrophobicContact CB-CD2 4.4Å; L159-L229 HydrophobicContact CB-CG 4.01Å; F161-L229 HydrophobicContact CD1-CD1 4.29Å; F161-L229 HydrophobicContact CD1-CD2 4.26Å; F161-L229 HydrophobicContact CE1-CB 4.36Å; F161-L229 HydrophobicContact CE1-CD2 3.96Å; F161-L229 HydrophobicContact CE2-CD2 4.25Å; F161-L229 HydrophobicContact CZ-CD2 3.96Å; K208-L229 HydrophobicContact CB-CD2 3.83Å; K208-L229 HydrophobicContact CD-CD2 4.19Å; K208-L229 HydrophobicContact CG-CD2 3.88Å; L229-Y231 HydrophobicContact CB-CE2 4.04Å
230R97.1Very high93Very high46 Ų4645.5 Ų45.517%0.17421%0.209CC..EExtended strand (participates in β ladder)trans-102.3104.4177.1-176.4-176.4-63-167.4-1.7109.3M144 L145 E146 S206 V207 R209 L232M144-R230 HydrophobicContact CB-CG 3.93Å; M144-R230 HydrophobicContact CE-CG 4.38Å; L145-R230 WeakPolarHBondContact O-CA 3.42Å; E146-R230 HydrophobicContact CG-CB 4.26Å; E146-R230 HydrophobicContact CG-CG 3.97Å; E146-R230 IonicContact OE1-CZ 3.04Å; E146-R230 IonicContact OE1-NE 3.78Å; E146-R230 PolarHBondContact OE1-NE 3.39Å; E146-R230 IonicContact OE1-NH2 3.32Å; E146-R230 PolarHBondContact OE1-NH2 2.96Å; S206-R230 WeakPolarHBondContact CA-O 3.37Å; S206-R230 WeakPolarHBondContact CB-O 3.37Å; V207-R230 PolarHBondContact N-O 3Å; V207-R230 WeakPolarHBondContact O-CB 3.44Å; V207-R230 PolarHBondContact O-N 2.93Å; R209-R230 VanDerWaalsContact CZ-NH1 3.32Å; R230-L232 HydrophobicContact CG-CD2 4.01Å
231Y96.8Very high93Very high0 Ų048.6 Ų48.60%022%0.217CC..EExtended strand (participates in β ladder)trans-79.9128.2171.1-71.1-90.4000109.8Y34 L36 M144 L145 F147 F161 V174 S206 L229Y34-Y231 AromaticContact CD1-CE2 3.73Å; Y34-Y231 HydrophobicContact CD1-CE2 3.73Å; Y34-Y231 AromaticContact CE1-CE2 3.79Å; Y34-Y231 HydrophobicContact CE1-CE2 3.79Å; Y34-Y231 PolarHBondContact O-OH 2.85Å; L36-Y231 HydrophobicContact CB-CD1 4.09Å; L36-Y231 HydrophobicContact CB-CD2 4.36Å; L36-Y231 HydrophobicContact CB-CE1 3.95Å; L36-Y231 HydrophobicContact CB-CE2 4.23Å; L36-Y231 HydrophobicContact CB-CG 4.28Å; L36-Y231 HydrophobicContact CD2-CD1 4.46Å; L36-Y231 HydrophobicContact CD2-CD2 4.39Å; L36-Y231 HydrophobicContact CD2-CG 4.07Å; M144-Y231 CarbonylContact C-O 3.59Å; M144-Y231 VanDerWaalsContact CA-O 3.22Å; M144-Y231 WeakPolarHBondContact CA-O 3.42Å; L145-Y231 PolarHBondContact N-O 3.28Å; L145-Y231 PolarHBondContact O-N 3.46Å; F147-Y231 AromaticContact CD2-CD2 3.83Å; F147-Y231 HydrophobicContact CD2-CD2 3.83Å; F147-Y231 HydrophobicContact CD2-CE2 4.14Å; F147-Y231 HydrophobicContact CE2-CD2 4.18Å; F161-Y231 HydrophobicContact CD1-CE1 4.42Å; F161-Y231 HydrophobicContact CE1-CE1 4.44Å; V174-Y231 HydrophobicContact CG2-CD1 3.62Å; V174-Y231 HydrophobicContact CG2-CG 4.12Å; S206-Y231 WeakPolarHBondContact OG-CA 3.15Å; S206-Y231 WeakPolarHBondContact OG-CD1 3.28Å; L229-Y231 HydrophobicContact CB-CE2 4.04Å
232L95.7Very high92.9Very high39 Ų3944.2 Ų44.220%0.20420%0.198CC..EExtended strand (participates in β ladder)trans-107.5130.4179.6-63.4177.9000109.1M144 L204 R230M144-L232 HydrophobicContact CB-CD2 3.8Å; L204-L232 HydrophobicContact CB-CB 3.83Å; L204-L232 HydrophobicContact CD1-CB 4.16Å; R230-L232 HydrophobicContact CG-CD2 4.01Å
233I94.2Very high92.9Very high9 Ų943.3 Ų43.35%0.04620%0.196CC..EExtended strand (participates in β ladder)trans-128.2123.9177.6-53.6179000107.3M38 C143 L145 V174 F176 I235M38-I233 HydrophobicContact CE-CD1 3.34Å; C143-I233 PolarHBondContact N-O 2.95Å; C143-I233 PolarHBondContact O-N 2.91Å; L145-I233 HydrophobicContact CD1-CD1 3.7Å; L145-I233 HydrophobicContact CD1-CG1 4.36Å; V174-I233 HydrophobicContact CG1-CD1 4.46Å; V174-I233 HydrophobicContact CG2-CD1 4.05Å; V174-I233 HydrophobicContact CG2-CG1 3.85Å; F176-I233 HydrophobicContact CZ-CG2 4.33Å; I233-I235 HydrophobicContact CG2-CG2 3.81Å
234R93.9Very high92.7Very high84 Ų8445.1 Ų45.132%0.31720%0.202SC..EExtended strand (participates in β ladder)trans-99.1129.6170.5-173.9-176.1-66.5172.5-1.9109.2Q141 V142 D188 L204 Y236Q141-R234 CarbonylContact O-C 3.47Å; Q141-R234 WeakPolarHBondContact O-CA 3.44Å; V142-R234 HydrophobicContact CG2-CB 4.36Å; V142-R234 HydrophobicContact CG2-CG 4.11Å; D188-R234 WeakPolarHBondContact OD2-CB 3.3Å; D188-R234 WeakPolarHBondContact OD2-CD 3.38Å; D188-R234 IonicContact OD2-NE 3.85Å; L204-R234 HydrophobicContact CD1-CB 3.91Å; L204-R234 HydrophobicContact CG-CB 4.36Å; R234-Y236 VanDerWaalsContact CD-CZ 3.45Å; R234-Y236 WeakPolarHBondContact CD-OH 3.36Å; R234-Y236 HydrophobicContact CG-CE1 4.5Å; R234-Y236 HydrophobicContact CG-CE2 4.1Å; R234-Y236 PolarHBondContact NH1-OH 3.31Å
235I93.5Very high92.6Very high0 Ų043.4 Ų43.40%020%0.2CC..EExtended strand (participates in β ladder)trans-124.9142.9179.467.4177.5000109.6L41 L44 L51 S140 Q141 W185 F186 T187 I233L41-I235 HydrophobicContact CD2-CB 4.49Å; L41-I235 HydrophobicContact CD2-CG2 3.94Å; L44-I235 HydrophobicContact CB-CD1 4.42Å; L44-I235 HydrophobicContact CD2-CD1 4.21Å; L51-I235 HydrophobicContact CD1-CD1 4.28Å; S140-I235 CarbonylContact C-O 3.54Å; S140-I235 VanDerWaalsContact CA-O 3.31Å; S140-I235 WeakPolarHBondContact CA-O 3.33Å; Q141-I235 HydrophobicContact CB-CD1 4.19Å; Q141-I235 HydrophobicContact CB-CG1 3.73Å; Q141-I235 HydrophobicContact CG-CG1 4.41Å; Q141-I235 PolarHBondContact N-O 3.34Å; Q141-I235 PolarHBondContact O-N 2.83Å; W185-I235 HydrophobicContact CD2-CD1 3.84Å; W185-I235 HydrophobicContact CD2-CG1 4.31Å; W185-I235 HydrophobicContact CE3-CB 3.98Å; W185-I235 HydrophobicContact CE3-CD1 3.61Å; W185-I235 HydrophobicContact CE3-CG1 3.6Å; W185-I235 HydrophobicContact CG-CD1 4.41Å; W185-I235 HydrophobicContact CH2-CD1 4.34Å; W185-I235 HydrophobicContact CZ3-CD1 3.89Å; W185-I235 HydrophobicContact CZ3-CG1 3.82Å; F186-I235 CarbonylContact O-C 3.55Å; F186-I235 WeakPolarHBondContact O-CA 3.12Å; T187-I235 HydrophobicContact CG2-CB 4.43Å; T187-I235 HydrophobicContact CG2-CG2 3.71Å; I233-I235 HydrophobicContact CG2-CG2 3.81Å
236Y92.3Very high92.4Very high36 Ų3638.7 Ų38.714%0.14118%0.182CC..EExtended strand (participates in β ladder)trans-118.5133.1178.9-53.8-96.1000109W185 F186 D188 R234W185-Y236 CarbonylContact C-O 3.51Å; W185-Y236 WeakPolarHBondContact CA-O 3.42Å; F186-Y236 PolarHBondContact N-O 3Å; F186-Y236 PolarHBondContact O-N 3.45Å; D188-Y236 WeakPolarHBondContact OD1-CE2 3.28Å; D188-Y236 PolarHBondContact OD1-OH 2.85Å; R234-Y236 VanDerWaalsContact CD-CZ 3.45Å; R234-Y236 WeakPolarHBondContact CD-OH 3.36Å; R234-Y236 HydrophobicContact CG-CE1 4.5Å; R234-Y236 HydrophobicContact CG-CE2 4.1Å; R234-Y236 PolarHBondContact NH1-OH 3.31Å
237R91.2Very high92Very high16 Ų1638.8 Ų38.86%0.0618%0.184CC..EExtended strand (participates in β ladder)trans-71.2141.8179.5-172179.7-56.5-81.70.7110.6E46 P137 D139 W185 P239E46-R237 IonicContact OE1-CZ 2.73Å; E46-R237 VanDerWaalsContact OE1-CZ 3.24Å; E46-R237 IonicContact OE1-NH1 3.61Å; E46-R237 PolarHBondContact OE1-NH1 3.02Å; E46-R237 IonicContact OE1-NH2 2.7Å; E46-R237 PolarHBondContact OE1-NH2 3.36Å; P137-R237 WeakPolarHBondContact O-CD 3.14Å; D139-R237 PolarHBondContact O-N 2.69Å; D139-R237 VanDerWaalsContact O-N 3.15Å; D139-R237 WeakPolarHBondContact OD1-CD 3.46Å; D139-R237 IonicContact OD1-CZ 3.9Å; D139-R237 IonicContact OD1-NE 3.12Å; D139-R237 PolarHBondContact OD1-NE 3.4Å; D139-R237 IonicContact OD1-NH2 3.97Å; D139-R237 IonicContact OD2-CZ 3.7Å; D139-R237 IonicContact OD2-NE 2.71Å; D139-R237 PolarHBondContact OD2-NE 3.13Å; D139-R237 IonicContact OD2-NH2 2.76Å; D139-R237 PolarHBondContact OD2-NH2 2.81Å; W185-R237 HydrophobicContact CE3-CB 4.15Å; W185-R237 HydrophobicContact CH2-CB 4.2Å; W185-R237 VanDerWaalsContact CH2-CZ 3.42Å; W185-R237 VanDerWaalsContact CZ2-NH1 3.35Å; W185-R237 HydrophobicContact CZ3-CB 3.8Å; R237-P239 VanDerWaalsContact O-CD 3.24Å; R237-P239 WeakPolarHBondContact O-CD 3.44Å
238N90Very high91.7Very high40 Ų4041.5 Ų41.521%0.21420%0.2CC..  trans-79109162.9-172.6-11.1000109.7N183 D184 F186 S240N183-N238 WeakPolarHBondContact O-CB 3.37Å; N183-N238 PolarHBondContact O-ND2 3.21Å; D184-N238 PolarHBondContact O-N 3.27Å; F186-N238 HydrophobicContact CD2-CB 4.37Å; F186-N238 HydrophobicContact CE2-CB 3.57Å; F186-N238 HydrophobicContact CZ-CB 4.13Å; N238-S240 VanDerWaalsContact C-N 3.25Å; N238-S240 PolarHBondContact O-N 3.31Å; N238-S240 WeakPolarHBondContact OD1-CB 3.36Å; N238-S240 PolarHBondContact OD1-N 3.23Å; N238-S240 PolarHBondContact OD1-OG 2.91Å
239P89.5Confident91.5Very high11 Ų1143.4 Ų43.47%0.07121%0.213CC..  trans-77.5-10.2-173.132.6-36.5000113.1P137 F138 R237 F241 H242 L243 L499P137-P239 HydrophobicContact CB-CB 4.38Å; P137-P239 HydrophobicContact CG-CB 4.22Å; F138-P239 HydrophobicContact CD1-CB 3.73Å; F138-P239 HydrophobicContact CD1-CG 3.87Å; F138-P239 HydrophobicContact CE1-CB 3.6Å; F138-P239 HydrophobicContact CE1-CG 3.76Å; F138-P239 HydrophobicContact CZ-CB 4.35Å; R237-P239 VanDerWaalsContact O-CD 3.24Å; R237-P239 WeakPolarHBondContact O-CD 3.44Å; P239-F241 PolarHBondContact O-N 3.28Å; P239-H242 PolarHBondContact O-N 3.44Å; P239-L243 PolarHBondContact O-N 2.9Å; P239-L499 HydrophobicContact CG-CD1 4.23Å
240S86.9Confident91.1Very high61 Ų6143.5 Ų43.543%0.42721%0.214SC..Hα-helixtrans-53.7-49-166.7-56.10000113.4N238 H242 L243 F244N238-S240 VanDerWaalsContact C-N 3.25Å; N238-S240 PolarHBondContact O-N 3.31Å; N238-S240 WeakPolarHBondContact OD1-CB 3.36Å; N238-S240 PolarHBondContact OD1-N 3.23Å; N238-S240 PolarHBondContact OD1-OG 2.91Å; S240-H242 PolarHBondContact O-N 3.45Å; S240-L243 WeakPolarHBondContact O-CB 3.34Å; S240-L243 PolarHBondContact O-N 3.46Å; S240-F244 WeakPolarHBondContact O-CD2 3.47Å; S240-F244 PolarHBondContact O-N 2.86Å
241F87.9Confident90.7Very high137 Ų13745.6 Ų45.660%0.60123%0.228SC*.Hα-helixtrans-62.3-44178.7177.9-100.6000112.5P239 L243 F244 I245P239-F241 PolarHBondContact O-N 3.28Å; F241-L243 VanDerWaalsContact C-N 3.34Å; F241-L243 PolarHBondContact O-N 3.24Å; F241-F244 PolarHBondContact O-N 3.25Å; F241-I245 HydrophobicContact CD1-CD1 4.08Å; F241-I245 HydrophobicContact CD2-CD1 3.78Å; F241-I245 HydrophobicContact CE1-CD1 3.57Å; F241-I245 HydrophobicContact CE2-CD1 3.23Å; F241-I245 HydrophobicContact CG-CD1 4.19Å; F241-I245 HydrophobicContact CZ-CD1 3.12Å; F241-I245 PolarHBondContact O-N 3.01Å
242H87.2Confident90.5Very high29 Ų2950.9 Ų50.913%0.13426%0.255CS..Hα-helixtrans-69.8-32.4-179.2-61.892.6000112F136 P137 P239 S240 L246 I247F136-H242 AromaticContact CZ-CD2 3.41Å; F136-H242 VanDerWaalsContact CZ-CD2 3.41Å; F136-H242 WeakPolarHBondContact CZ-CD2 3.46Å; F136-H242 AromaticContact CZ-NE2 3.66Å; P137-H242 HydrophobicContact CB-CB 3.5Å; P137-H242 VanDerWaalsContact CB-CB 3.5Å; P137-H242 HydrophobicContact CG-CB 3.77Å; P239-H242 PolarHBondContact O-N 3.44Å; S240-H242 PolarHBondContact O-N 3.45Å; H242-L246 HydrophobicContact CB-CD1 4.39Å; H242-L246 VanDerWaalsContact O-CB 3.29Å; H242-L246 WeakPolarHBondContact O-CB 3.42Å; H242-L246 PolarHBondContact O-N 3.26Å; H242-I247 PolarHBondContact O-N 2.86Å
243L88.1Confident90.3Very high65 Ų6550.6 Ų50.634%0.3425%0.254SS..Iπ-helixtrans-59.1-48.6174.5-172.978.9000111F138 P239 S240 F241 I247 V248F138-L243 HydrophobicContact CZ-CD1 4.5Å; P239-L243 PolarHBondContact O-N 2.9Å; S240-L243 WeakPolarHBondContact O-CB 3.34Å; S240-L243 PolarHBondContact O-N 3.46Å; F241-L243 VanDerWaalsContact C-N 3.34Å; F241-L243 PolarHBondContact O-N 3.24Å; L243-I247 HydrophobicContact CD1-CB 4.06Å; L243-I247 HydrophobicContact CD1-CD1 3.7Å; L243-I247 HydrophobicContact CD1-CG1 4.42Å; L243-I247 HydrophobicContact CD1-CG2 4.09Å; L243-I247 WeakPolarHBondContact O-CB 3.33Å; L243-I247 PolarHBondContact O-N 3.43Å; L243-I247 VanDerWaalsContact O-N 3.16Å; L243-V248 PolarHBondContact O-N 3.22Å
244F89.2Confident90.1Very high139 Ų13950.5 Ų50.561%0.6125%0.254SS*.Iπ-helixtrans-74.3-31-177.3-70.3-67.6000114.1S240 F241 V248 P249S240-F244 WeakPolarHBondContact O-CD2 3.47Å; S240-F244 PolarHBondContact O-N 2.86Å; F241-F244 PolarHBondContact O-N 3.25Å; F244-V248 HydrophobicContact CD1-CG2 4.34Å; F244-P249 VanDerWaalsContact O-CD 3.27Å; F244-P249 WeakPolarHBondContact O-CD 2.84Å
245I90.3Very high89.8Confident63 Ų6351.2 Ų51.232%0.32326%0.264SS..Iπ-helixtrans-92.5-33.2-175.9-70.1172.4000112.9F241 P249 L287F241-I245 HydrophobicContact CD1-CD1 4.08Å; F241-I245 HydrophobicContact CD2-CD1 3.78Å; F241-I245 HydrophobicContact CE1-CD1 3.57Å; F241-I245 HydrophobicContact CE2-CD1 3.23Å; F241-I245 HydrophobicContact CG-CD1 4.19Å; F241-I245 HydrophobicContact CZ-CD1 3.12Å; F241-I245 PolarHBondContact O-N 3.01Å; I245-P249 WeakPolarHBondContact O-CG 3.25Å; I245-L287 HydrophobicContact CG2-CD2 4.31Å
246L89.8Confident89.7Confident7 Ų754.6 Ų54.64%0.03728%0.281CS..Iπ-helixtrans-105.9-52.2-176.7-62.2170.6000111.6F136 H242 C250 L287 L288F136-L246 HydrophobicContact CE1-CD1 3.95Å; H242-L246 HydrophobicContact CB-CD1 4.39Å; H242-L246 VanDerWaalsContact O-CB 3.29Å; H242-L246 WeakPolarHBondContact O-CB 3.42Å; H242-L246 PolarHBondContact O-N 3.26Å; L246-C250 WeakPolarHBondContact O-CB 3.09Å; L246-C250 PolarHBondContact O-N 3.03Å; L246-L287 HydrophobicContact CD2-CB 4.1Å; L246-L288 HydrophobicContact CD1-CD1 4.08Å
247I87.8Confident89.6Confident31 Ų3153 Ų5316%0.15928%0.275CS..Iπ-helixtrans-76-49.9-169.5-61.6174.6000111.2P137 F138 H242 L243 C250 L251P137-I247 HydrophobicContact CG-CD1 4.2Å; F138-I247 HydrophobicContact CE2-CD1 4.01Å; F138-I247 HydrophobicContact CZ-CD1 4.19Å; H242-I247 PolarHBondContact O-N 2.86Å; L243-I247 HydrophobicContact CD1-CB 4.06Å; L243-I247 HydrophobicContact CD1-CD1 3.7Å; L243-I247 HydrophobicContact CD1-CG1 4.42Å; L243-I247 HydrophobicContact CD1-CG2 4.09Å; L243-I247 WeakPolarHBondContact O-CB 3.33Å; L243-I247 PolarHBondContact O-N 3.43Å; L243-I247 VanDerWaalsContact O-N 3.16Å; I247-C250 WeakPolarHBondContact O-CB 3.4Å; I247-C250 PolarHBondContact O-N 2.92Å; I247-L251 HydrophobicContact CG2-CD1 4.06Å; I247-L251 HydrophobicContact CG2-CG 4.35Å; I247-L251 WeakPolarHBondContact O-CG 3.46Å; I247-L251 PolarHBondContact O-N 3.26Å
248V89.7Confident89.5Confident57 Ų5753.2 Ų53.235%0.34528%0.278SS..Hα-helixtrans-60-49.9-178.5171.10000112.3L243 F244 C250 L251 L252L243-V248 PolarHBondContact O-N 3.22Å; F244-V248 HydrophobicContact CD1-CG2 4.34Å; V248-C250 VanDerWaalsContact C-N 3.28Å; V248-C250 PolarHBondContact O-N 3.22Å; V248-L251 PolarHBondContact O-N 3.1Å; V248-L252 HydrophobicContact CG1-CD1 4.09Å; V248-L252 WeakPolarHBondContact O-CG 3.42Å; V248-L252 PolarHBondContact O-N 3.3Å
249P92.1Very high89.4Confident42 Ų4254 Ų5427%0.27328%0.284SS..Hα-helixtrans-63.1-34.4177.4-26.438.9000112.8F244 I245 L252 L253 L284F244-P249 VanDerWaalsContact O-CD 3.27Å; F244-P249 WeakPolarHBondContact O-CD 2.84Å; I245-P249 WeakPolarHBondContact O-CG 3.25Å; P249-L252 PolarHBondContact O-N 2.89Å; P249-L253 WeakPolarHBondContact O-CB 3.46Å; P249-L253 WeakPolarHBondContact O-CG 3.36Å; P249-L253 PolarHBondContact O-N 3.31Å; P249-L284 HydrophobicContact CB-CD1 4.27Å; P249-L284 HydrophobicContact CB-CD2 4.18Å
250C90.3Very high89.4Confident2 Ų253.6 Ų53.61%0.01428%0.281CS..Hα-helixtrans-64.6-44.3175.3-175.50000112.2L246 I247 V248 L252 L253 S254 L284 F305 F306L246-C250 WeakPolarHBondContact O-CB 3.09Å; L246-C250 PolarHBondContact O-N 3.03Å; I247-C250 WeakPolarHBondContact O-CB 3.4Å; I247-C250 PolarHBondContact O-N 2.92Å; V248-C250 VanDerWaalsContact C-N 3.28Å; V248-C250 PolarHBondContact O-N 3.22Å; C250-L252 VanDerWaalsContact C-N 3.34Å; C250-L253 PolarHBondContact O-N 3.08Å; C250-S254 WeakPolarHBondContact O-CB 3.06Å; C250-S254 PolarHBondContact O-N 3.26Å; C250-S254 PolarHBondContact O-OG 3.14Å; C250-L284 HydrophobicContact CB-CD1 4.11Å; C250-F305 WeakPolarHBondContact SG-CE1 3.17Å; C250-F306 HydrophobicContact CB-CE1 3.68Å; C250-F306 HydrophobicContact CB-CZ 4.3Å; C250-F306 WeakPolarHBondContact SG-CE1 3.47Å
251L88.9Confident89.4Confident90 Ų9051 Ų5147%0.47126%0.262SS..Hα-helixtrans-60.5-46176-70.5174.2000110.5I247 V248 L253 S254 L255I247-L251 HydrophobicContact CG2-CD1 4.06Å; I247-L251 HydrophobicContact CG2-CG 4.35Å; I247-L251 WeakPolarHBondContact O-CG 3.46Å; I247-L251 PolarHBondContact O-N 3.26Å; V248-L251 PolarHBondContact O-N 3.1Å; L251-L253 PolarHBondContact O-N 3.29Å; L251-S254 WeakPolarHBondContact CA-OG 3.49Å; L251-S254 PolarHBondContact O-N 3.09Å; L251-S254 PolarHBondContact O-OG 3.27Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.02Å
252L92.1Very high89.3Confident110 Ų11053.4 Ų53.458%0.57627%0.268SS*.Hα-helixtrans-61.4-44.1177.6-67.1173.3000112.6V248 P249 C250 L255 L256V248-L252 HydrophobicContact CG1-CD1 4.09Å; V248-L252 WeakPolarHBondContact O-CG 3.42Å; V248-L252 PolarHBondContact O-N 3.3Å; P249-L252 PolarHBondContact O-N 2.89Å; C250-L252 VanDerWaalsContact C-N 3.34Å; L252-L255 PolarHBondContact O-N 3.4Å; L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 PolarHBondContact O-N 2.89Å
253L92.4Very high89.3Confident34 Ų3454 Ų5418%0.17827%0.271CS..Hα-helixtrans-66.1-37.3176.6-74.1176000112.5P249 C250 L251 L255 L256 S257 F281 L284P249-L253 WeakPolarHBondContact O-CB 3.46Å; P249-L253 WeakPolarHBondContact O-CG 3.36Å; P249-L253 PolarHBondContact O-N 3.31Å; C250-L253 PolarHBondContact O-N 3.08Å; L251-L253 PolarHBondContact O-N 3.29Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L253-L256 PolarHBondContact O-N 3.5Å; L253-S257 PolarHBondContact O-N 3.45Å; L253-F281 HydrophobicContact CB-CE1 4.24Å; L253-F281 HydrophobicContact CB-CE2 4Å; L253-F281 HydrophobicContact CB-CZ 3.8Å; L253-L284 HydrophobicContact CD1-CD1 3.72Å
254S89.6Confident89.1Confident6 Ų654.4 Ų54.44%0.04228%0.278CS..Hα-helixtrans-68.9-29.7176.374.80000113.1C250 L251 S257C250-S254 WeakPolarHBondContact O-CB 3.06Å; C250-S254 PolarHBondContact O-N 3.26Å; C250-S254 PolarHBondContact O-OG 3.14Å; L251-S254 WeakPolarHBondContact CA-OG 3.49Å; L251-S254 PolarHBondContact O-N 3.09Å; L251-S254 PolarHBondContact O-OG 3.27Å; S254-S257 PolarHBondContact O-OG 3.49Å
255L88Confident88.7Confident100 Ų10048.1 Ų48.152%0.52425%0.251SS..Hα-helixtrans-75.2-36.8170.6-69.8171000111.2L251 L252 L253 S257 L258L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.02Å; L252-L255 PolarHBondContact O-N 3.4Å; L253-L255 VanDerWaalsContact C-N 3.32Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 2.91Å; L255-L258 HydrophobicContact CD2-CD1 4.43Å; L255-L258 WeakPolarHBondContact O-CB 3.44Å; L255-L258 PolarHBondContact O-N 2.84Å
256L91Very high88.2Confident70 Ų7049.7 Ų49.737%0.36626%0.26SS..Hα-helixtrans-67.5-29.2178.9-166.766000112.5L252 L253 L258 V259 L273 I277L252-L256 WeakPolarHBondContact O-CB 3.34Å; L252-L256 PolarHBondContact O-N 2.89Å; L253-L256 PolarHBondContact O-N 3.5Å; L256-L258 PolarHBondContact O-N 3.46Å; L256-V259 HydrophobicContact CD1-CG2 4.3Å; L256-V259 VanDerWaalsContact O-CB 3.31Å; L256-V259 WeakPolarHBondContact O-CB 3.21Å; L256-V259 PolarHBondContact O-N 2.88Å; L256-V259 VanDerWaalsContact O-N 3.13Å; L256-L273 HydrophobicContact CD2-CD1 4.03Å; L256-L273 HydrophobicContact CG-CD1 4.15Å; L256-I277 HydrophobicContact CB-CD1 4.23Å; L256-I277 HydrophobicContact CD2-CD1 4.19Å; L256-I277 HydrophobicContact CD2-CG1 4.05Å; L256-I277 HydrophobicContact CG-CD1 3.94Å; L256-I277 HydrophobicContact CG-CG1 4.35Å
257S89.3Confident88Confident2 Ų251.6 Ų51.61%0.01427%0.274CS..Hα-helixtrans-65.1-27.7176.266.30000113.1L253 S254 L255 V259 V260 Y475L253-S257 PolarHBondContact O-N 3.45Å; S254-S257 PolarHBondContact O-OG 3.49Å; L255-S257 VanDerWaalsContact C-N 3.3Å; L255-S257 PolarHBondContact O-N 2.91Å; S257-V259 PolarHBondContact O-N 3.5Å; S257-V260 WeakPolarHBondContact O-CB 3.39Å; S257-V260 PolarHBondContact O-N 3.23Å; S257-Y475 VanDerWaalsContact CB-OH 3.31Å; S257-Y475 WeakPolarHBondContact CB-OH 3.12Å; S257-Y475 VanDerWaalsContact OG-CE1 3.26Å; S257-Y475 WeakPolarHBondContact OG-CE1 3.2Å; S257-Y475 VanDerWaalsContact OG-CZ 3.28Å; S257-Y475 PolarHBondContact OG-OH 3.36Å
258L88.5Confident87.9Confident22 Ų2254.1 Ų54.112%0.11530%0.3CS..Hα-helixtrans-63-31.6173.7-67.7172.2000112.2L255 L256 V260 F261 F472 Y475 L476L255-L258 HydrophobicContact CD2-CD1 4.43Å; L255-L258 WeakPolarHBondContact O-CB 3.44Å; L255-L258 PolarHBondContact O-N 2.84Å; L256-L258 PolarHBondContact O-N 3.46Å; L258-V260 PolarHBondContact O-N 3.47Å; L258-F261 PolarHBondContact O-N 3.37Å; L258-F472 HydrophobicContact CB-CE2 3.98Å; L258-F472 HydrophobicContact CD2-CD2 4.24Å; L258-F472 HydrophobicContact CD2-CE2 3.93Å; L258-F472 HydrophobicContact CG-CE2 4.48Å; L258-Y475 HydrophobicContact CD2-CD1 3.58Å; L258-Y475 HydrophobicContact CD2-CE1 4.05Å; L258-L476 HydrophobicContact CD1-CD1 3.98Å; L258-L476 HydrophobicContact CD2-CB 4.23Å; L258-L476 HydrophobicContact CD2-CD1 4.11Å
259V89.4Confident87.9Confident56 Ų5653.2 Ų53.234%0.33930%0.298SS..Hα-helixtrans-66-25.8-180-177.20000111.8L256 S257 F261 W262 L263 L273L256-V259 HydrophobicContact CD1-CG2 4.3Å; L256-V259 VanDerWaalsContact O-CB 3.31Å; L256-V259 WeakPolarHBondContact O-CB 3.21Å; L256-V259 PolarHBondContact O-N 2.88Å; L256-V259 VanDerWaalsContact O-N 3.13Å; S257-V259 PolarHBondContact O-N 3.5Å; V259-F261 PolarHBondContact O-N 2.84Å; V259-W262 PolarHBondContact O-N 2.76Å; V259-L263 HydrophobicContact CG1-CD1 4.26Å; V259-L263 PolarHBondContact O-N 2.82Å; V259-L273 HydrophobicContact CB-CD2 4.35Å; V259-L273 HydrophobicContact CG1-CD2 4.23Å
260V88.3Confident87.7Confident3 Ų351.2 Ų51.22%0.01829%0.285CS..THydrogen-bonded Turntrans-59-36.6179.11780000111.6S257 L258 W262 K270 L273 I277S257-V260 WeakPolarHBondContact O-CB 3.39Å; S257-V260 PolarHBondContact O-N 3.23Å; L258-V260 PolarHBondContact O-N 3.47Å; V260-W262 VanDerWaalsContact C-N 3.31Å; V260-K270 HydrophobicContact CG1-CG 4.07Å; V260-K270 WeakPolarHBondContact O-CE 3.4Å; V260-L273 HydrophobicContact CG2-CD2 3.91Å; V260-L273 HydrophobicContact CG2-CG 4.02Å; V260-I277 HydrophobicContact CG2-CD1 4.02Å
261F87.9Confident87.5Confident7 Ų753.7 Ų53.73%0.03130%0.297CS..THydrogen-bonded Turntrans-82.9-4.5178.9-57.1-79.5000114.1L258 V259 S316 V319 F471 F472 Y475L258-F261 PolarHBondContact O-N 3.37Å; V259-F261 PolarHBondContact O-N 2.84Å; F261-S316 WeakPolarHBondContact CE2-OG 3.44Å; F261-S316 WeakPolarHBondContact CZ-OG 3.33Å; F261-V319 HydrophobicContact CE1-CG1 4.41Å; F261-F471 HydrophobicContact CD1-CB 4.12Å; F261-F471 HydrophobicContact CE1-CB 3.73Å; F261-F472 HydrophobicContact CB-CB 3.76Å; F261-F472 HydrophobicContact CB-CD2 3.99Å; F261-F472 HydrophobicContact CB-CG 4.36Å; F261-F472 HydrophobicContact CD2-CB 4.4Å; F261-F472 HydrophobicContact CD2-CD2 4.3Å; F261-F472 HydrophobicContact CG-CB 4.08Å; F261-Y475 HydrophobicContact CE2-CD1 4.18Å; F261-Y475 AromaticContact CE2-CD2 3.67Å; F261-Y475 HydrophobicContact CE2-CD2 3.67Å; F261-Y475 HydrophobicContact CE2-CE2 4.32Å; F261-Y475 AromaticContact CE2-CG 3.6Å; F261-Y475 HydrophobicContact CE2-CG 3.6Å; F261-Y475 AromaticContact CZ-CD2 3.83Å; F261-Y475 HydrophobicContact CZ-CD2 3.83Å; F261-Y475 HydrophobicContact CZ-CG 4.09Å
262W85Confident87.6Confident187 Ų18755.1 Ų55.171%0.70830%0.303SS*.THydrogen-bonded Turntrans-98.7-19.8173.3-81.38.3000112.5V259 V260 F472V259-W262 PolarHBondContact O-N 2.76Å; V260-W262 VanDerWaalsContact C-N 3.31Å; W262-F472 HydrophobicContact CZ2-CZ 4.28Å; W262-F472 AromaticContact NE1-CE2 3.71Å; W262-F472 AromaticContact NE1-CZ 3.89Å
263L87.3Confident87.6Confident41 Ų4151.8 Ų51.822%0.21529%0.285CS..SBendtrans-68.9135.7176.8-119.174.7000110.9V259 A269 K270V259-L263 HydrophobicContact CG1-CD1 4.26Å; V259-L263 PolarHBondContact O-N 2.82Å; L263-A269 HydrophobicContact CD2-CB 3.72Å; L263-K270 HydrophobicContact CB-CB 4.12Å; L263-K270 HydrophobicContact CB-CD 4.48Å; L263-K270 HydrophobicContact CB-CG 4.29Å; L263-K270 HydrophobicContact CD2-CB 4.04Å
264P84Confident87.5Confident74 Ų7450.3 Ų50.348%0.48128%0.278SS..  trans-60140.9177.224.6-34.2000110.8D266 S267P264-D266 PolarHBondContact O-N 3.35Å; P264-D266 VanDerWaalsContact O-N 3.07Å; P264-S267 PolarHBondContact O-N 3.28Å; P264-S267 VanDerWaalsContact O-N 3.1Å
265P81.7Confident87.6Confident7 Ų754.4 Ų54.45%0.04530%0.298CS..THydrogen-bonded Turntrans-65.7-12.2-176.826.6-35.6000114.4S267 V323 F327 A464P265-S267 VanDerWaalsContact C-N 3.34Å; P265-V323 HydrophobicContact CB-CG1 4.01Å; P265-F327 HydrophobicContact CB-CB 4.3Å; P265-F327 HydrophobicContact CB-CD2 4.34Å; P265-F327 HydrophobicContact CB-CG 4.42Å; P265-F327 HydrophobicContact CG-CB 4.42Å; P265-F327 HydrophobicContact CG-CD2 3.69Å; P265-F327 HydrophobicContact CG-CE2 4.21Å; P265-F327 HydrophobicContact CG-CG 4.24Å; P265-A464 HydrophobicContact CG-CB 4.3Å
266D80.1Confident87.8Confident96 Ų9654.2 Ų54.251%0.51330%0.298SS..THydrogen-bonded Turntrans-78.5-19.4177-156.713.6000112.6P264 F327P264-D266 PolarHBondContact O-N 3.35Å; P264-D266 VanDerWaalsContact O-N 3.07Å; D266-F327 HydrophobicContact CB-CE1 3.95Å; D266-F327 HydrophobicContact CB-CE2 4.28Å; D266-F327 HydrophobicContact CB-CZ 3.63Å; D266-F327 WeakPolarHBondContact OD1-CE1 3.15Å
267S85.2Confident87.9Confident46 Ų4651 Ų5132%0.32228%0.282SS..  trans-86.3122.8-174.4-172.90000112P264 P265 A269 K270P264-S267 PolarHBondContact O-N 3.28Å; P264-S267 VanDerWaalsContact O-N 3.1Å; P265-S267 VanDerWaalsContact C-N 3.34Å; S267-A269 PolarHBondContact O-N 3.25Å; S267-A269 VanDerWaalsContact O-N 3.08Å; S267-A269 VanDerWaalsContact OG-CB 3.32Å; S267-A269 WeakPolarHBondContact OG-CB 3.39Å; S267-A269 PolarHBondContact OG-N 3.35Å; S267-K270 WeakPolarHBondContact O-CB 3.38Å; S267-K270 PolarHBondContact O-N 2.87Å
268A86Confident88Confident85 Ų8554.4 Ų54.470%0.70230%0.296SS*.THydrogen-bonded Turntrans-56.5-23.4169.600000112.8K270 M271 M272A268-K270 PolarHBondContact O-N 3.49Å; A268-M271 PolarHBondContact O-N 3.28Å; A268-M272 PolarHBondContact O-N 3.42Å
269A88.7Confident88.2Confident37 Ų3756.9 Ų56.931%0.30631%0.312SS..Hα-helixtrans-61-26176.200000112.9L263 S267 M272 L273L263-A269 HydrophobicContact CD2-CB 3.72Å; S267-A269 PolarHBondContact O-N 3.25Å; S267-A269 VanDerWaalsContact O-N 3.08Å; S267-A269 VanDerWaalsContact OG-CB 3.32Å; S267-A269 WeakPolarHBondContact OG-CB 3.39Å; S267-A269 PolarHBondContact OG-N 3.35Å; A269-M272 PolarHBondContact O-N 3.03Å; A269-L273 VanDerWaalsContact O-CB 3.26Å; A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 PolarHBondContact O-N 3.13Å
270K88.3Confident88.4Confident1 Ų155.1 Ų55.10%0.00431%0.305CS..Hα-helixtrans-62.1-47.3178.3-176.5170.4179.1162.40111.6V260 L263 S267 A268 G274 A320 D468V260-K270 HydrophobicContact CG1-CG 4.07Å; V260-K270 WeakPolarHBondContact O-CE 3.4Å; L263-K270 HydrophobicContact CB-CB 4.12Å; L263-K270 HydrophobicContact CB-CD 4.48Å; L263-K270 HydrophobicContact CB-CG 4.29Å; L263-K270 HydrophobicContact CD2-CB 4.04Å; S267-K270 WeakPolarHBondContact O-CB 3.38Å; S267-K270 PolarHBondContact O-N 2.87Å; A268-K270 PolarHBondContact O-N 3.49Å; K270-G274 PolarHBondContact O-N 3.43Å; K270-A320 HydrophobicContact CD-CB 4.47Å; K270-D468 IonicContact NZ-OD1 2.73Å; K270-D468 PolarHBondContact NZ-OD1 2.7Å; K270-D468 IonicContact NZ-OD2 3.27Å; K270-D468 PolarHBondContact NZ-OD2 3.26Å
271M86Confident88.5Confident53 Ų5355 Ų5526%0.26131%0.305SS..Hα-helixtrans-71.2-41.7179.6-64.7-55.5-62.800111.6A268 G274 I275 I317 A320 T321A268-M271 PolarHBondContact O-N 3.28Å; M271-G274 PolarHBondContact O-N 2.93Å; M271-I275 WeakPolarHBondContact O-CG1 3.49Å; M271-I275 PolarHBondContact O-N 3.32Å; M271-I317 HydrophobicContact CE-CG2 3.9Å; M271-A320 HydrophobicContact SD-CB 4.11Å; M271-T321 WeakPolarHBondContact CE-OG1 3.5Å
272M91.3Very high88.7Confident121 Ų12159.5 Ų59.560%0.59632%0.324SS*.Hα-helixtrans-61.9-44.1177.8-174.1171.86800112A268 A269 I275 N276A268-M272 PolarHBondContact O-N 3.42Å; A269-M272 PolarHBondContact O-N 3.03Å; M272-I275 PolarHBondContact O-N 2.96Å; M272-N276 WeakPolarHBondContact O-CB 3.39Å; M272-N276 VanDerWaalsContact O-CG 3.28Å; M272-N276 PolarHBondContact O-N 3.1Å; M272-N276 PolarHBondContact O-ND2 2.95Å
273L91.9Very high89.1Confident39 Ų3954.2 Ų54.220%0.20431%0.312CS..Hα-helixtrans-60.9-45.9176-178.562.8000111.4L256 V259 V260 A269 I275 N276 I277L256-L273 HydrophobicContact CD2-CD1 4.03Å; L256-L273 HydrophobicContact CG-CD1 4.15Å; V259-L273 HydrophobicContact CB-CD2 4.35Å; V259-L273 HydrophobicContact CG1-CD2 4.23Å; V260-L273 HydrophobicContact CG2-CD2 3.91Å; V260-L273 HydrophobicContact CG2-CG 4.02Å; A269-L273 VanDerWaalsContact O-CB 3.26Å; A269-L273 WeakPolarHBondContact O-CB 3.5Å; A269-L273 PolarHBondContact O-N 3.13Å; L273-I275 PolarHBondContact O-N 3.49Å; L273-N276 PolarHBondContact O-N 3Å; L273-I277 HydrophobicContact CD1-CD1 3.99Å; L273-I277 HydrophobicContact CD1-CG1 4.3Å; L273-I277 HydrophobicContact CG-CD1 3.86Å; L273-I277 VanDerWaalsContact O-CG1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.43Å; L273-I277 PolarHBondContact O-N 3.46Å
274G89.8Confident89.3Confident3 Ų352.9 Ų52.93%0.03131%0.306CS..Hα-helixtrans-58.7-47.6178.200000113.3K270 M271 I277 F278K270-G274 PolarHBondContact O-N 3.43Å; M271-G274 PolarHBondContact O-N 2.93Å; G274-I277 PolarHBondContact O-N 3.28Å; G274-F278 PolarHBondContact O-N 3.43Å; G274-F278 VanDerWaalsContact O-N 3.1Å
275I91Very high89.6Confident92 Ų9251.1 Ų51.147%0.47229%0.292SS..Hα-helixtrans-64.1-43.4178.3-66169.5000111.1M271 M272 L273 I277 F278 V279M271-I275 WeakPolarHBondContact O-CG1 3.49Å; M271-I275 PolarHBondContact O-N 3.32Å; M272-I275 PolarHBondContact O-N 2.96Å; L273-I275 PolarHBondContact O-N 3.49Å; I275-I277 VanDerWaalsContact C-N 3.33Å; I275-I277 PolarHBondContact O-N 2.91Å; I275-F278 WeakPolarHBondContact O-CB 3.35Å; I275-F278 PolarHBondContact O-N 3.41Å; I275-V279 WeakPolarHBondContact O-CG2 3.39Å; I275-V279 PolarHBondContact O-N 3.2Å
276N93.1Very high90.1Very high96 Ų9654.9 Ų54.951%0.51331%0.311SS..Hα-helixtrans-64-37.4179.4-74.1-17.8000112.5M272 L273 V279 G280M272-N276 WeakPolarHBondContact O-CB 3.39Å; M272-N276 VanDerWaalsContact O-CG 3.28Å; M272-N276 PolarHBondContact O-N 3.1Å; M272-N276 PolarHBondContact O-ND2 2.95Å; L273-N276 PolarHBondContact O-N 3Å; N276-V279 PolarHBondContact O-N 3.02Å; N276-G280 PolarHBondContact O-N 3.06Å
277I92.4Very high90.6Very high4 Ų453.9 Ų53.92%0.02131%0.305CS..Hα-helixtrans-64.9-42.4174.3-68.6167.5000110.7L256 V260 L273 G274 I275 V279 G280 F281 V313L256-I277 HydrophobicContact CB-CD1 4.23Å; L256-I277 HydrophobicContact CD2-CD1 4.19Å; L256-I277 HydrophobicContact CD2-CG1 4.05Å; L256-I277 HydrophobicContact CG-CD1 3.94Å; L256-I277 HydrophobicContact CG-CG1 4.35Å; V260-I277 HydrophobicContact CG2-CD1 4.02Å; L273-I277 HydrophobicContact CD1-CD1 3.99Å; L273-I277 HydrophobicContact CD1-CG1 4.3Å; L273-I277 HydrophobicContact CG-CD1 3.86Å; L273-I277 VanDerWaalsContact O-CG1 3.25Å; L273-I277 WeakPolarHBondContact O-CG1 3.43Å; L273-I277 PolarHBondContact O-N 3.46Å; G274-I277 PolarHBondContact O-N 3.28Å; I275-I277 VanDerWaalsContact C-N 3.33Å; I275-I277 PolarHBondContact O-N 2.91Å; I277-V279 PolarHBondContact O-N 3.48Å; I277-G280 PolarHBondContact O-N 3.32Å; I277-F281 HydrophobicContact CG2-CD2 3.75Å; I277-F281 HydrophobicContact CG2-CE2 3.6Å; I277-F281 WeakPolarHBondContact O-CD2 2.84Å; I277-F281 PolarHBondContact O-N 3Å; I277-V313 HydrophobicContact CG2-CG1 4.33Å; I277-V313 HydrophobicContact CG2-CG2 4.06Å
278F91.1Very high90.8Very high72 Ų7251.8 Ų51.832%0.31629%0.29SS..Hα-helixtrans-59.1-46.6175.8178.7-94000111.7G274 I275 G280 F281 F282 M310 V313 T314 I317G274-F278 PolarHBondContact O-N 3.43Å; G274-F278 VanDerWaalsContact O-N 3.1Å; I275-F278 WeakPolarHBondContact O-CB 3.35Å; I275-F278 PolarHBondContact O-N 3.41Å; F278-G280 VanDerWaalsContact C-N 3.31Å; F278-G280 PolarHBondContact O-N 3.35Å; F278-F281 PolarHBondContact O-N 3.39Å; F278-F282 PolarHBondContact O-N 3.5Å; F278-M310 HydrophobicContact CE2-CB 4.48Å; F278-V313 HydrophobicContact CB-CG1 3.94Å; F278-V313 HydrophobicContact CD2-CG1 4.42Å; F278-T314 HydrophobicContact CD2-CG2 3.75Å; F278-T314 HydrophobicContact CE2-CG2 3.45Å; F278-T314 VanDerWaalsContact CE2-CG2 3.45Å; F278-T314 HydrophobicContact CZ-CG2 4.42Å; F278-I317 HydrophobicContact CB-CD1 4.33Å
279V93.8Very high90.9Very high74 Ų7450.5 Ų50.545%0.44828%0.28SS..Hα-helixtrans-61.1-41.1175.11750000111I275 N276 I277 F282 V283I275-V279 WeakPolarHBondContact O-CG2 3.39Å; I275-V279 PolarHBondContact O-N 3.2Å; N276-V279 PolarHBondContact O-N 3.02Å; I277-V279 PolarHBondContact O-N 3.48Å; V279-F282 WeakPolarHBondContact O-CB 3.14Å; V279-F282 PolarHBondContact O-N 3.07Å; V279-F282 VanDerWaalsContact O-N 3.15Å; V279-V283 HydrophobicContact CG1-CG2 4.44Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 3.47Å
280G92.9Very high90.7Very high20 Ų2056.6 Ų56.621%0.20630%0.3CS..Hα-helixtrans-57.4-49.1175.200000113N276 I277 F278 F282 V283 L284N276-G280 PolarHBondContact O-N 3.06Å; I277-G280 PolarHBondContact O-N 3.32Å; F278-G280 VanDerWaalsContact C-N 3.31Å; F278-G280 PolarHBondContact O-N 3.35Å; G280-F282 VanDerWaalsContact C-N 3.3Å; G280-F282 PolarHBondContact O-N 2.94Å; G280-V283 PolarHBondContact O-N 3.39Å; G280-L284 WeakPolarHBondContact O-CG 3.31Å; G280-L284 PolarHBondContact O-N 2.72Å; G280-L284 VanDerWaalsContact O-N 3.08Å
281F91.4Very high90.4Very high0 Ų058.4 Ų58.40%031%0.312CS..Hα-helixtrans-61.6-38.2174-80.9-66.2000112.2L253 I277 F278 L284 L285 N309 M310 V313L253-F281 HydrophobicContact CB-CE1 4.24Å; L253-F281 HydrophobicContact CB-CE2 4Å; L253-F281 HydrophobicContact CB-CZ 3.8Å; I277-F281 HydrophobicContact CG2-CD2 3.75Å; I277-F281 HydrophobicContact CG2-CE2 3.6Å; I277-F281 WeakPolarHBondContact O-CD2 2.84Å; I277-F281 PolarHBondContact O-N 3Å; F278-F281 PolarHBondContact O-N 3.39Å; F281-L284 PolarHBondContact O-N 2.85Å; F281-L285 PolarHBondContact O-N 3.48Å; F281-N309 HydrophobicContact CD1-CB 4.3Å; F281-N309 HydrophobicContact CE1-CB 3.86Å; F281-N309 HydrophobicContact CE2-CB 4.48Å; F281-N309 HydrophobicContact CZ-CB 3.97Å; F281-M310 HydrophobicContact CB-CE 3.94Å; F281-M310 HydrophobicContact CB-CG 3.95Å; F281-M310 WeakPolarHBondContact O-CE 3.37Å; F281-V313 HydrophobicContact CD2-CG2 4.03Å; F281-V313 HydrophobicContact CE2-CG2 3.84Å
282F91.6Very high90.2Very high102 Ų10256.6 Ų56.645%0.44730%0.303SS..Hα-helixtrans-63.6-42.8178.3-174.8-105.1000112.2F278 V279 G280 L285 L286 M310F278-F282 PolarHBondContact O-N 3.5Å; V279-F282 WeakPolarHBondContact O-CB 3.14Å; V279-F282 PolarHBondContact O-N 3.07Å; V279-F282 VanDerWaalsContact O-N 3.15Å; G280-F282 VanDerWaalsContact C-N 3.3Å; G280-F282 PolarHBondContact O-N 2.94Å; F282-L285 PolarHBondContact O-N 3.26Å; F282-L286 HydrophobicContact CD1-CD1 4.05Å; F282-L286 HydrophobicContact CD1-CG 4.46Å; F282-L286 HydrophobicContact CE1-CD1 3.67Å; F282-L286 HydrophobicContact CE1-CG 4.14Å; F282-L286 HydrophobicContact CZ-CD1 4.28Å; F282-L286 HydrophobicContact CZ-CD2 4.33Å; F282-L286 HydrophobicContact CZ-CG 4.35Å; F282-L286 WeakPolarHBondContact O-CG 3.11Å; F282-L286 PolarHBondContact O-N 3.19Å; F282-M310 HydrophobicContact CB-CE 4.18Å; F282-M310 HydrophobicContact CD2-CE 4.44Å
283V93.5Very high89.7Confident75 Ų7551 Ų5146%0.45528%0.276SS..Hα-helixtrans-62.9-42.4174.8173.50000111.5V279 G280 L285 L286 L287V279-V283 HydrophobicContact CG1-CG2 4.44Å; V279-V283 WeakPolarHBondContact O-CG2 3.44Å; V279-V283 PolarHBondContact O-N 3.47Å; G280-V283 PolarHBondContact O-N 3.39Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 PolarHBondContact O-N 2.9Å; V283-L286 PolarHBondContact O-N 3.14Å; V283-L287 PolarHBondContact O-N 2.95Å
284L92.2Very high88.7Confident14 Ų1455.2 Ų55.27%0.07331%0.309CS..Hα-helixtrans-62.6-38.3175.5-69.9179000112.5P249 C250 L253 G280 F281 L287 L288 F306P249-L284 HydrophobicContact CB-CD1 4.27Å; P249-L284 HydrophobicContact CB-CD2 4.18Å; C250-L284 HydrophobicContact CB-CD1 4.11Å; L253-L284 HydrophobicContact CD1-CD1 3.72Å; G280-L284 WeakPolarHBondContact O-CG 3.31Å; G280-L284 PolarHBondContact O-N 2.72Å; G280-L284 VanDerWaalsContact O-N 3.08Å; F281-L284 PolarHBondContact O-N 2.85Å; L284-L287 WeakPolarHBondContact O-CB 3.44Å; L284-L287 PolarHBondContact O-N 3.32Å; L284-L288 PolarHBondContact O-N 3.39Å; L284-F306 HydrophobicContact CB-CE2 4.29Å
285L90Very high87.5Confident37 Ų3758 Ų5819%0.19433%0.332CS..Hα-helixtrans-66.2-37.9175.2-175.765.7000112.1F281 F282 V283 L287 L288 A289 F306 M310F281-L285 PolarHBondContact O-N 3.48Å; F282-L285 PolarHBondContact O-N 3.26Å; V283-L285 VanDerWaalsContact C-N 3.33Å; V283-L285 PolarHBondContact O-N 2.9Å; L285-L287 VanDerWaalsContact C-N 3.34Å; L285-L288 HydrophobicContact CD1-CD2 4.38Å; L285-L288 WeakPolarHBondContact O-CB 3.29Å; L285-L288 PolarHBondContact O-N 3.25Å; L285-A289 WeakPolarHBondContact O-CB 3.42Å; L285-A289 PolarHBondContact O-N 2.91Å; L285-F306 HydrophobicContact CD1-CB 4.24Å; L285-F306 HydrophobicContact CD1-CD2 4.28Å; L285-M310 HydrophobicContact CB-CE 3.59Å; L285-M310 HydrophobicContact CD2-CE 3.64Å; L285-M310 HydrophobicContact CD2-SD 3.96Å; L285-M310 HydrophobicContact CG-CE 4.23Å
286L91.1Very high86.4Confident85 Ų8556.5 Ų56.545%0.44532%0.324SS..Hα-helixtrans-64.8-39.2174-71.4177000112.1F282 V283 L288 A289 K290F282-L286 HydrophobicContact CD1-CD1 4.05Å; F282-L286 HydrophobicContact CD1-CG 4.46Å; F282-L286 HydrophobicContact CE1-CD1 3.67Å; F282-L286 HydrophobicContact CE1-CG 4.14Å; F282-L286 HydrophobicContact CZ-CD1 4.28Å; F282-L286 HydrophobicContact CZ-CD2 4.33Å; F282-L286 HydrophobicContact CZ-CG 4.35Å; F282-L286 WeakPolarHBondContact O-CG 3.11Å; F282-L286 PolarHBondContact O-N 3.19Å; V283-L286 PolarHBondContact O-N 3.14Å; L286-L288 VanDerWaalsContact C-N 3.34Å; L286-A289 PolarHBondContact O-N 3.33Å; L286-K290 WeakPolarHBondContact O-CG 3.45Å; L286-K290 PolarHBondContact O-N 2.96Å; L286-K290 VanDerWaalsContact O-N 3.15Å
287L91.3Very high85.4Confident76 Ų7661.5 Ų61.540%0.39834%0.341SS..Hα-helixtrans-61.1-45.2173.7-112.5150.3000110.7I245 L246 V283 L284 L285 K290I245-L287 HydrophobicContact CG2-CD2 4.31Å; L246-L287 HydrophobicContact CD2-CB 4.1Å; V283-L287 PolarHBondContact O-N 2.95Å; L284-L287 WeakPolarHBondContact O-CB 3.44Å; L284-L287 PolarHBondContact O-N 3.32Å; L285-L287 VanDerWaalsContact C-N 3.34Å; L287-K290 PolarHBondContact O-N 3.47Å
288L89.2Confident84.8Confident1 Ų164.7 Ų64.71%0.00536%0.358CS..Hα-helixtrans-62.5-44.5175.7-173.868.3000112.3F136 L246 L284 L285 L286 K290 S291 M292 I302 G303 F306F136-L288 HydrophobicContact CD1-CD1 3.98Å; F136-L288 HydrophobicContact CE1-CD1 3.8Å; L246-L288 HydrophobicContact CD1-CD1 4.08Å; L284-L288 PolarHBondContact O-N 3.39Å; L285-L288 HydrophobicContact CD1-CD2 4.38Å; L285-L288 WeakPolarHBondContact O-CB 3.29Å; L285-L288 PolarHBondContact O-N 3.25Å; L286-L288 VanDerWaalsContact C-N 3.34Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.92Å; L288-S291 PolarHBondContact O-N 3.32Å; L288-S291 VanDerWaalsContact O-N 3.09Å; L288-M292 HydrophobicContact CD1-CE 3.28Å; L288-M292 HydrophobicContact CD2-CE 3.87Å; L288-M292 HydrophobicContact CG-CE 3.34Å; L288-M292 HydrophobicContact CG-SD 4.01Å; L288-M292 WeakPolarHBondContact O-CG 3.27Å; L288-I302 HydrophobicContact CD1-CG2 4.02Å; L288-I302 HydrophobicContact CD2-CG2 4.19Å; L288-G303 VanDerWaalsContact CD2-CA 3.5Å; L288-F306 HydrophobicContact CB-CD2 4.37Å; L288-F306 HydrophobicContact CB-CE2 4.08Å; L288-F306 HydrophobicContact CD2-CD2 3.68Å; L288-F306 HydrophobicContact CD2-CE2 3.82Å; L288-F306 HydrophobicContact CG-CE2 4.4Å
289A87.4Confident84.3Confident59 Ų5966.1 Ų66.149%0.48836%0.364SS..Hα-helixtrans-63.1-31.7-179.400000112.9L285 L286 S291 M292L285-A289 WeakPolarHBondContact O-CB 3.42Å; L285-A289 PolarHBondContact O-N 2.91Å; L286-A289 PolarHBondContact O-N 3.33Å; A289-S291 VanDerWaalsContact C-N 3.26Å; A289-S291 PolarHBondContact O-N 2.97Å; A289-M292 PolarHBondContact O-N 3.02Å
290K86.2Confident84Confident165 Ų16562.6 Ų62.672%0.71734%0.343SS*.Hα-helixtrans-68.7-24.6175.6-76-179179.2-177.80113.5N47 L286 L287 L288 M292N47-K290 PolarHBondContact ND2-O 3.2Å; L286-K290 WeakPolarHBondContact O-CG 3.45Å; L286-K290 PolarHBondContact O-N 2.96Å; L286-K290 VanDerWaalsContact O-N 3.15Å; L287-K290 PolarHBondContact O-N 3.47Å; L288-K290 VanDerWaalsContact C-N 3.27Å; L288-K290 PolarHBondContact O-N 2.92Å; K290-M292 VanDerWaalsContact C-N 3.34Å
291S81.2Confident83.7Confident38 Ų3862.4 Ų62.427%0.26634%0.337SS..THydrogen-bonded Turntrans-893.8178.9-61.30000113.3L288 A289L288-S291 PolarHBondContact O-N 3.32Å; L288-S291 VanDerWaalsContact O-N 3.09Å; A289-S291 VanDerWaalsContact C-N 3.26Å; A289-S291 PolarHBondContact O-N 2.97Å
292M82.6Confident83.4Confident15 Ų1563.3 Ų63.37%0.07434%0.342CS..SBendtrans-115.1140.2-172.2-70.2178.4175.600113.3N47 I133 F136 L288 A289 K290 I296 P300N47-M292 PolarHBondContact OD1-N 3.39Å; N47-M292 PolarHBondContact OD1-O 3.1Å; I133-M292 HydrophobicContact CD1-CB 4.23Å; I133-M292 HydrophobicContact CD1-CE 4.46Å; I133-M292 HydrophobicContact CD1-CG 3.94Å; I133-M292 HydrophobicContact CD1-SD 4.08Å; F136-M292 HydrophobicContact CD1-CE 4.25Å; L288-M292 HydrophobicContact CD1-CE 3.28Å; L288-M292 HydrophobicContact CD2-CE 3.87Å; L288-M292 HydrophobicContact CG-CE 3.34Å; L288-M292 HydrophobicContact CG-SD 4.01Å; L288-M292 WeakPolarHBondContact O-CG 3.27Å; A289-M292 PolarHBondContact O-N 3.02Å; K290-M292 VanDerWaalsContact C-N 3.34Å; M292-I296 HydrophobicContact CB-CD1 4.1Å; M292-P300 HydrophobicContact CE-CB 3.65Å; M292-P300 HydrophobicContact CE-CG 3.31Å; M292-P300 HydrophobicContact SD-CG 3.63Å
293P80.8Confident83.2Confident4 Ų458.4 Ų58.43%0.02632%0.321CS..  trans-51.9145.6169.611.6-20000112.5E46 Q49 I133 A295 I296E46-P293 VanDerWaalsContact O-CB 3.26Å; E46-P293 WeakPolarHBondContact O-CB 3.42Å; Q49-P293 HydrophobicContact CG-CB 4.5Å; I133-P293 HydrophobicContact CD1-CG 4.43Å; I133-P293 HydrophobicContact CG2-CG 4.19Å; P293-A295 PolarHBondContact O-N 3.05Å; P293-I296 HydrophobicContact CG-CG1 4.18Å; P293-I296 WeakPolarHBondContact O-CD1 3.38Å; P293-I296 WeakPolarHBondContact O-CG1 3.41Å
294S70.8Confident82.8Confident127 Ų12758.5 Ų58.589%0.88832%0.318SS*.SBendtrans-65.6-23.9169-53.20000112
295A64.2Low82.6Confident62 Ų6258.6 Ų58.651%0.51232%0.318SS..SBendtrans-108.992.9-179.500000110.3Q49 P293Q49-A295 PolarHBondContact NE2-O 3.18Å; P293-A295 PolarHBondContact O-N 3.05Å
296I67.5Low82.5Confident61 Ų6156.9 Ų56.931%0.31331%0.308SS..  trans-109.4123.8-178.4-59.7166.5000108.9I133 M292 P293 N298I133-I296 HydrophobicContact CD1-CB 4.34Å; I133-I296 HydrophobicContact CD1-CD1 3.64Å; I133-I296 HydrophobicContact CD1-CG1 3.63Å; I133-I296 HydrophobicContact CD1-CG2 3.75Å; I133-I296 HydrophobicContact CG1-CG2 4.06Å; M292-I296 HydrophobicContact CB-CD1 4.1Å; P293-I296 HydrophobicContact CG-CG1 4.18Å; P293-I296 WeakPolarHBondContact O-CD1 3.38Å; P293-I296 WeakPolarHBondContact O-CG1 3.41Å; I296-N298 WeakPolarHBondContact CG2-O 3.26Å
297K73Confident82.4Confident200 Ų20055.3 Ų55.387%0.8730%0.304SS*.SBendtrans-73.4-43.1169-170.4-177179.7-174.40111.3
298N79Confident82.3Confident72 Ų7255.4 Ų55.439%0.38530%0.304SS..SBendtrans-130.7125-176.6-63.5-31000110.8I296I296-N298 WeakPolarHBondContact CG2-O 3.26Å
299F81.4Confident82.3Confident101 Ų10155.3 Ų55.344%0.44330%0.304SS..  trans-66.6136.4176.8-163.7-107.2000110.5I304F299-I304 HydrophobicContact CD1-CG1 3.72Å; F299-I304 HydrophobicContact CE1-CG1 4.33Å
300P86.6Confident82.4Confident0 Ų053.6 Ų53.60%029%0.286CS..  trans-56.1141.1179.730.5-46.9000112.9M292 I302 G303 I304M292-P300 HydrophobicContact CE-CB 3.65Å; M292-P300 HydrophobicContact CE-CG 3.31Å; M292-P300 HydrophobicContact SD-CG 3.63Å; P300-I302 VanDerWaalsContact C-N 3.28Å; P300-I302 HydrophobicContact CB-CG2 4.05Å; P300-I302 PolarHBondContact O-N 3.15Å; P300-G303 PolarHBondContact O-N 3.02Å; P300-I304 PolarHBondContact O-N 3.4Å; P300-I304 VanDerWaalsContact O-N 3.1Å
301I86Confident82.6Confident16 Ų1649.5 Ų49.58%0.08228%0.275CS..Hα-helixtrans-61.3-38.7176.7-65158.3000111.3T134 Y135 G303 I304 F305 V486 K489T134-I301 HydrophobicContact CG2-CD1 4.23Å; T134-I301 HydrophobicContact CG2-CG1 4.49Å; T134-I301 WeakPolarHBondContact O-CG1 3.21Å; T134-I301 PolarHBondContact O-N 3.36Å; Y135-I301 HydrophobicContact CD1-CD1 3.52Å; Y135-I301 HydrophobicContact CE1-CD1 3.48Å; Y135-I301 VanDerWaalsContact CE1-CD1 3.48Å; I301-G303 VanDerWaalsContact C-N 3.28Å; I301-G303 PolarHBondContact O-N 3.38Å; I301-I304 WeakPolarHBondContact O-CB 3.3Å; I301-I304 PolarHBondContact O-N 2.96Å; I301-F305 PolarHBondContact O-N 3.31Å; I301-V486 HydrophobicContact CG2-CB 4.42Å; I301-V486 HydrophobicContact CG2-CG1 4.13Å; I301-V486 HydrophobicContact CG2-CG2 4.09Å; I301-K489 HydrophobicContact CD1-CB 3.88Å; I301-K489 HydrophobicContact CD1-CD 4.14Å; I301-K489 HydrophobicContact CG1-CD 4.4Å
302I85.5Confident83Confident19 Ų1949.2 Ų49.210%0.09727%0.27CS..Hα-helixtrans-64.2-32.6175.9-171.463000112.4F136 L288 P300 F305 F306F136-I302 HydrophobicContact CD1-CG2 4.22Å; F136-I302 WeakPolarHBondContact O-CG2 3.29Å; L288-I302 HydrophobicContact CD1-CG2 4.02Å; L288-I302 HydrophobicContact CD2-CG2 4.19Å; P300-I302 VanDerWaalsContact C-N 3.28Å; P300-I302 HydrophobicContact CB-CG2 4.05Å; P300-I302 PolarHBondContact O-N 3.15Å; I302-F305 HydrophobicContact CD1-CB 4.46Å; I302-F305 HydrophobicContact CD1-CD1 4.02Å; I302-F305 WeakPolarHBondContact O-CB 3.46Å; I302-F305 PolarHBondContact O-N 3.33Å; I302-F306 HydrophobicContact CD1-CD1 4.43Å; I302-F306 HydrophobicContact CD1-CE1 3.8Å; I302-F306 HydrophobicContact CD1-CZ 4.2Å; I302-F306 HydrophobicContact CG1-CE1 3.98Å; I302-F306 HydrophobicContact CG1-CE2 4.46Å; I302-F306 HydrophobicContact CG1-CZ 3.93Å; I302-F306 WeakPolarHBondContact O-CG 3.34Å; I302-F306 PolarHBondContact O-N 2.93Å
303G86.8Confident83.4Confident0 Ų048.7 Ų48.70%027%0.267CS..Hα-helixtrans-68.2-41.817400000111.5L288 P300 I301 F305 F306 C307L288-G303 VanDerWaalsContact CD2-CA 3.5Å; P300-G303 PolarHBondContact O-N 3.02Å; I301-G303 VanDerWaalsContact C-N 3.28Å; I301-G303 PolarHBondContact O-N 3.38Å; G303-F305 VanDerWaalsContact C-N 3.26Å; G303-F305 PolarHBondContact O-N 2.96Å; G303-F306 PolarHBondContact O-N 3.44Å; G303-C307 PolarHBondContact O-N 3.17Å; G303-C307 PolarHBondContact O-SG 2.97Å; G303-C307 VanDerWaalsContact O-SG 3.38Å
304I86.7Confident83.8Confident77 Ų7751.4 Ų51.440%0.39528%0.284SS..Hα-helixtrans-59.2-42.9174.1-59.4176.6000109.7F299 P300 I301 F306 C307 L308F299-I304 HydrophobicContact CD1-CG1 3.72Å; F299-I304 HydrophobicContact CE1-CG1 4.33Å; P300-I304 PolarHBondContact O-N 3.4Å; P300-I304 VanDerWaalsContact O-N 3.1Å; I301-I304 WeakPolarHBondContact O-CB 3.3Å; I301-I304 PolarHBondContact O-N 2.96Å; I304-F306 PolarHBondContact O-N 3.42Å; I304-C307 PolarHBondContact O-N 2.92Å; I304-L308 HydrophobicContact CG2-CD1 3.91Å; I304-L308 HydrophobicContact CG2-CG 4.21Å; I304-L308 WeakPolarHBondContact O-CB 3.44Å; I304-L308 VanDerWaalsContact O-CG 3.32Å; I304-L308 WeakPolarHBondContact O-CG 3.46Å; I304-L308 PolarHBondContact O-N 3.48Å
305F87.3Confident84.8Confident16 Ų1650 Ų507%0.0727%0.266CS..Hα-helixtrans-57.6-45.9175.1-178.7-110.7000112.2C250 I301 I302 G303 L308 N309 I482 V486C250-F305 WeakPolarHBondContact SG-CE1 3.17Å; I301-F305 PolarHBondContact O-N 3.31Å; I302-F305 HydrophobicContact CD1-CB 4.46Å; I302-F305 HydrophobicContact CD1-CD1 4.02Å; I302-F305 WeakPolarHBondContact O-CB 3.46Å; I302-F305 PolarHBondContact O-N 3.33Å; G303-F305 VanDerWaalsContact C-N 3.26Å; G303-F305 PolarHBondContact O-N 2.96Å; F305-L308 PolarHBondContact O-N 3.42Å; F305-N309 WeakPolarHBondContact CD1-ND2 3.3Å; F305-N309 VanDerWaalsContact CE1-ND2 3.26Å; F305-N309 WeakPolarHBondContact CE1-ND2 3.04Å; F305-N309 VanDerWaalsContact CE2-ND2 3.28Å; F305-N309 WeakPolarHBondContact CE2-ND2 3.12Å; F305-N309 WeakPolarHBondContact CZ-ND2 3.32Å; F305-N309 WeakPolarHBondContact O-CB 3.42Å; F305-N309 PolarHBondContact O-N 2.81Å; F305-N309 PolarHBondContact O-ND2 3.23Å; F305-I482 HydrophobicContact CD2-CG2 3.39Å; F305-I482 HydrophobicContact CE2-CG2 3.58Å; F305-V486 HydrophobicContact CB-CG2 3.97Å; F305-V486 HydrophobicContact CD2-CG2 3.75Å; F305-V486 HydrophobicContact CG-CG2 4.15Å
306F88.6Confident86Confident0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-62.5-44.9176.2-68.6-7.1000112.1C250 L284 L285 L288 I302 G303 I304 L308 N309 M310C250-F306 HydrophobicContact CB-CE1 3.68Å; C250-F306 HydrophobicContact CB-CZ 4.3Å; C250-F306 WeakPolarHBondContact SG-CE1 3.47Å; L284-F306 HydrophobicContact CB-CE2 4.29Å; L285-F306 HydrophobicContact CD1-CB 4.24Å; L285-F306 HydrophobicContact CD1-CD2 4.28Å; L288-F306 HydrophobicContact CB-CD2 4.37Å; L288-F306 HydrophobicContact CB-CE2 4.08Å; L288-F306 HydrophobicContact CD2-CD2 3.68Å; L288-F306 HydrophobicContact CD2-CE2 3.82Å; L288-F306 HydrophobicContact CG-CE2 4.4Å; I302-F306 HydrophobicContact CD1-CD1 4.43Å; I302-F306 HydrophobicContact CD1-CE1 3.8Å; I302-F306 HydrophobicContact CD1-CZ 4.2Å; I302-F306 HydrophobicContact CG1-CE1 3.98Å; I302-F306 HydrophobicContact CG1-CE2 4.46Å; I302-F306 HydrophobicContact CG1-CZ 3.93Å; I302-F306 WeakPolarHBondContact O-CG 3.34Å; I302-F306 PolarHBondContact O-N 2.93Å; G303-F306 PolarHBondContact O-N 3.44Å; I304-F306 PolarHBondContact O-N 3.42Å; F306-L308 PolarHBondContact O-N 3.01Å; F306-N309 PolarHBondContact O-N 2.94Å; F306-M310 WeakPolarHBondContact O-CG 3.24Å; F306-M310 PolarHBondContact O-N 3.43Å
307C88.8Confident87.1Confident52 Ų5245.8 Ų45.835%0.35124%0.236SC..Hα-helixtrans-62.1-43.5177.5-67.60000112.2G303 I304 M310 V311G303-C307 PolarHBondContact O-N 3.17Å; G303-C307 PolarHBondContact O-SG 2.97Å; G303-C307 VanDerWaalsContact O-SG 3.38Å; I304-C307 PolarHBondContact O-N 2.92Å; C307-M310 WeakPolarHBondContact O-CB 3.24Å; C307-M310 PolarHBondContact O-N 3.04Å; C307-V311 WeakPolarHBondContact O-CG2 3.04Å; C307-V311 PolarHBondContact O-N 3.22Å
308L89Confident87.9Confident78 Ų7843.6 Ų43.641%0.40823%0.226SC..Hα-helixtrans-63.4-42.8176.5-71174.6000111.5I304 F305 F306 M310 V311 M312 I482I304-L308 HydrophobicContact CG2-CD1 3.91Å; I304-L308 HydrophobicContact CG2-CG 4.21Å; I304-L308 WeakPolarHBondContact O-CB 3.44Å; I304-L308 VanDerWaalsContact O-CG 3.32Å; I304-L308 WeakPolarHBondContact O-CG 3.46Å; I304-L308 PolarHBondContact O-N 3.48Å; F305-L308 PolarHBondContact O-N 3.42Å; F306-L308 PolarHBondContact O-N 3.01Å; L308-M310 VanDerWaalsContact C-N 3.33Å; L308-M310 PolarHBondContact O-N 2.69Å; L308-V311 PolarHBondContact O-N 3.19Å; L308-M312 VanDerWaalsContact O-CG 3.31Å; L308-M312 WeakPolarHBondContact O-CG 3.08Å; L308-M312 PolarHBondContact O-N 3.17Å; L308-I482 HydrophobicContact CB-CD1 4.22Å; L308-I482 HydrophobicContact CB-CG2 4.46Å; L308-I482 HydrophobicContact CD1-CG1 4.4Å; L308-I482 HydrophobicContact CD1-CG2 4.17Å
309N88Confident88.3Confident0 Ų041 Ų410%021%0.213CC..Hα-helixtrans-62.5-38.9174.9-80.2-64.4000112.3F281 F305 F306 M312 V313F281-N309 HydrophobicContact CD1-CB 4.3Å; F281-N309 HydrophobicContact CE1-CB 3.86Å; F281-N309 HydrophobicContact CE2-CB 4.48Å; F281-N309 HydrophobicContact CZ-CB 3.97Å; F305-N309 WeakPolarHBondContact CD1-ND2 3.3Å; F305-N309 VanDerWaalsContact CE1-ND2 3.26Å; F305-N309 WeakPolarHBondContact CE1-ND2 3.04Å; F305-N309 VanDerWaalsContact CE2-ND2 3.28Å; F305-N309 WeakPolarHBondContact CE2-ND2 3.12Å; F305-N309 WeakPolarHBondContact CZ-ND2 3.32Å; F305-N309 WeakPolarHBondContact O-CB 3.42Å; F305-N309 PolarHBondContact O-N 2.81Å; F305-N309 PolarHBondContact O-ND2 3.23Å; F306-N309 PolarHBondContact O-N 2.94Å; N309-M312 PolarHBondContact O-N 2.86Å; N309-V313 WeakPolarHBondContact O-CB 3.43Å; N309-V313 VanDerWaalsContact O-CG2 3.29Å; N309-V313 WeakPolarHBondContact O-CG2 3.25Å; N309-V313 PolarHBondContact O-N 3.09Å
310M89.4Confident88.6Confident22 Ų2236.2 Ų36.211%0.10819%0.192CC..Hα-helixtrans-61.2-45.6173.6-73.6178.6-179.800112.2F278 F281 F282 L285 F306 C307 L308 M312 V313 T314F278-M310 HydrophobicContact CE2-CB 4.48Å; F281-M310 HydrophobicContact CB-CE 3.94Å; F281-M310 HydrophobicContact CB-CG 3.95Å; F281-M310 WeakPolarHBondContact O-CE 3.37Å; F282-M310 HydrophobicContact CB-CE 4.18Å; F282-M310 HydrophobicContact CD2-CE 4.44Å; L285-M310 HydrophobicContact CB-CE 3.59Å; L285-M310 HydrophobicContact CD2-CE 3.64Å; L285-M310 HydrophobicContact CD2-SD 3.96Å; L285-M310 HydrophobicContact CG-CE 4.23Å; F306-M310 WeakPolarHBondContact O-CG 3.24Å; F306-M310 PolarHBondContact O-N 3.43Å; C307-M310 WeakPolarHBondContact O-CB 3.24Å; C307-M310 PolarHBondContact O-N 3.04Å; L308-M310 VanDerWaalsContact C-N 3.33Å; L308-M310 PolarHBondContact O-N 2.69Å; M310-M312 VanDerWaalsContact C-N 3.29Å; M310-M312 PolarHBondContact O-N 3.42Å; M310-V313 PolarHBondContact O-N 3.33Å; M310-T314 WeakPolarHBondContact O-CG2 3.47Å; M310-T314 PolarHBondContact O-N 3.31Å; M310-T314 PolarHBondContact O-OG1 3.45Å
311V91.3Very high88.7Confident79 Ų7939.5 Ų39.548%0.47921%0.212SC..Hα-helixtrans-61.2-40.9176173.90000110.8C307 L308 T314 L315C307-V311 WeakPolarHBondContact O-CG2 3.04Å; C307-V311 PolarHBondContact O-N 3.22Å; L308-V311 PolarHBondContact O-N 3.19Å; V311-T314 WeakPolarHBondContact CA-OG1 3.12Å; V311-T314 PolarHBondContact O-N 3.34Å; V311-T314 PolarHBondContact O-OG1 3.3Å; V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 WeakPolarHBondContact O-CB 3.32Å; V311-L315 VanDerWaalsContact O-CG 3.3Å; V311-L315 WeakPolarHBondContact O-CG 3.41Å; V311-L315 PolarHBondContact O-N 3.3Å
312M89.7Confident88.9Confident33 Ų3344.2 Ų44.216%0.16323%0.229CC..Hα-helixtrans-63.6-42.9175.8-73.8-60.3-54.800112.1L308 N309 M310 S316 Y475 T478 I482L308-M312 VanDerWaalsContact O-CG 3.31Å; L308-M312 WeakPolarHBondContact O-CG 3.08Å; L308-M312 PolarHBondContact O-N 3.17Å; N309-M312 PolarHBondContact O-N 2.86Å; M310-M312 VanDerWaalsContact C-N 3.29Å; M310-M312 PolarHBondContact O-N 3.42Å; M312-S316 WeakPolarHBondContact O-CB 3.37Å; M312-S316 PolarHBondContact O-N 3.01Å; M312-Y475 HydrophobicContact CB-CE2 3.74Å; M312-Y475 HydrophobicContact CE-CD2 3.34Å; M312-Y475 HydrophobicContact CE-CE2 3.71Å; M312-Y475 HydrophobicContact CE-CG 3.96Å; M312-T478 HydrophobicContact CE-CG2 4.42Å; M312-T478 WeakPolarHBondContact CE-OG1 3.41Å; M312-I482 HydrophobicContact CG-CD1 4.17Å
313V89.9Confident89Confident4 Ų443.3 Ų43.32%0.02423%0.225CC..Hα-helixtrans-66.8-39.8177.3171.30000111.4I277 F278 F281 N309 M310 S316 I317I277-V313 HydrophobicContact CG2-CG1 4.33Å; I277-V313 HydrophobicContact CG2-CG2 4.06Å; F278-V313 HydrophobicContact CB-CG1 3.94Å; F278-V313 HydrophobicContact CD2-CG1 4.42Å; F281-V313 HydrophobicContact CD2-CG2 4.03Å; F281-V313 HydrophobicContact CE2-CG2 3.84Å; N309-V313 WeakPolarHBondContact O-CB 3.43Å; N309-V313 VanDerWaalsContact O-CG2 3.29Å; N309-V313 WeakPolarHBondContact O-CG2 3.25Å; N309-V313 PolarHBondContact O-N 3.09Å; M310-V313 PolarHBondContact O-N 3.33Å; V313-S316 WeakPolarHBondContact O-CB 3.47Å; V313-S316 PolarHBondContact O-N 3.24Å; V313-I317 HydrophobicContact CG1-CD1 3.97Å; V313-I317 HydrophobicContact CG1-CG1 4.48Å; V313-I317 VanDerWaalsContact O-CG1 3.3Å; V313-I317 WeakPolarHBondContact O-CG1 3.32Å; V313-I317 PolarHBondContact O-N 3.35Å
314T91Very high89Confident61 Ų6144.8 Ų44.837%0.37423%0.233SC..Hα-helixtrans-65.9-42.6176.8560000112F278 M310 V311 S316 I317 F318F278-T314 HydrophobicContact CD2-CG2 3.75Å; F278-T314 HydrophobicContact CE2-CG2 3.45Å; F278-T314 VanDerWaalsContact CE2-CG2 3.45Å; F278-T314 HydrophobicContact CZ-CG2 4.42Å; M310-T314 WeakPolarHBondContact O-CG2 3.47Å; M310-T314 PolarHBondContact O-N 3.31Å; M310-T314 PolarHBondContact O-OG1 3.45Å; V311-T314 WeakPolarHBondContact CA-OG1 3.12Å; V311-T314 PolarHBondContact O-N 3.34Å; V311-T314 PolarHBondContact O-OG1 3.3Å; T314-S316 VanDerWaalsContact C-N 3.31Å; T314-S316 PolarHBondContact O-N 3.08Å; T314-I317 PolarHBondContact O-N 3.29Å; T314-F318 PolarHBondContact O-N 2.96Å
315L91.1Very high88.9Confident96 Ų9645 Ų4550%0.50324%0.235SC..Hα-helixtrans-61-40.8172.2-71.1173000111.5V311 I317 F318 V319V311-L315 HydrophobicContact CG1-CD1 4.1Å; V311-L315 WeakPolarHBondContact O-CB 3.32Å; V311-L315 VanDerWaalsContact O-CG 3.3Å; V311-L315 WeakPolarHBondContact O-CG 3.41Å; V311-L315 PolarHBondContact O-N 3.3Å; L315-I317 PolarHBondContact O-N 3.28Å; L315-F318 PolarHBondContact O-N 3.33Å; L315-V319 WeakPolarHBondContact O-CB 3.36Å; L315-V319 WeakPolarHBondContact O-CG2 3.24Å; L315-V319 PolarHBondContact O-N 2.73Å
316S90Very high88.7Confident5 Ų545 Ų454%0.03524%0.236CC..Hα-helixtrans-60.5-42.8174.7-179.10000112.4F261 M312 V313 T314 V319 A320F261-S316 WeakPolarHBondContact CE2-OG 3.44Å; F261-S316 WeakPolarHBondContact CZ-OG 3.33Å; M312-S316 WeakPolarHBondContact O-CB 3.37Å; M312-S316 PolarHBondContact O-N 3.01Å; V313-S316 WeakPolarHBondContact O-CB 3.47Å; V313-S316 PolarHBondContact O-N 3.24Å; T314-S316 VanDerWaalsContact C-N 3.31Å; T314-S316 PolarHBondContact O-N 3.08Å; S316-V319 PolarHBondContact O-N 2.7Å; S316-A320 VanDerWaalsContact O-CB 3.3Å; S316-A320 WeakPolarHBondContact O-CB 3.47Å; S316-A320 PolarHBondContact O-N 3.2Å
317I88.9Confident88.5Confident31 Ų3145.5 Ų45.516%0.15924%0.238CC..Hα-helixtrans-67.6-39.6178-66.4164.8000110.8M271 F278 V313 T314 L315 A320 T321M271-I317 HydrophobicContact CE-CG2 3.9Å; F278-I317 HydrophobicContact CB-CD1 4.33Å; V313-I317 HydrophobicContact CG1-CD1 3.97Å; V313-I317 HydrophobicContact CG1-CG1 4.48Å; V313-I317 VanDerWaalsContact O-CG1 3.3Å; V313-I317 WeakPolarHBondContact O-CG1 3.32Å; V313-I317 PolarHBondContact O-N 3.35Å; T314-I317 PolarHBondContact O-N 3.29Å; L315-I317 PolarHBondContact O-N 3.28Å; I317-A320 PolarHBondContact O-N 2.91Å; I317-T321 PolarHBondContact O-N 3.32Å; I317-T321 PolarHBondContact O-OG1 3.43Å
318F90.2Very high88.1Confident153 Ų15348.9 Ų48.967%0.67125%0.245SC*.Hα-helixtrans-61.6-48.5175.5-179.5-96.2000111.4T314 L315 A320 T321 W322T314-F318 PolarHBondContact O-N 2.96Å; L315-F318 PolarHBondContact O-N 3.33Å; F318-A320 PolarHBondContact O-N 3.16Å; F318-T321 WeakPolarHBondContact O-CB 3.44Å; F318-T321 PolarHBondContact O-N 3.15Å; F318-W322 PolarHBondContact O-N 3.41Å
319V88.9Confident87.6Confident17 Ų1749 Ų4910%0.10324%0.242CC..Hα-helixtrans-59.8-44.9174.5164.20000111.5F261 L315 S316 T321 W322 V323 F471F261-V319 HydrophobicContact CE1-CG1 4.41Å; L315-V319 WeakPolarHBondContact O-CB 3.36Å; L315-V319 WeakPolarHBondContact O-CG2 3.24Å; L315-V319 PolarHBondContact O-N 2.73Å; S316-V319 PolarHBondContact O-N 2.7Å; V319-T321 VanDerWaalsContact C-N 3.33Å; V319-T321 PolarHBondContact O-N 3.22Å; V319-W322 WeakPolarHBondContact O-CB 3.49Å; V319-W322 PolarHBondContact O-N 2.61Å; V319-W322 VanDerWaalsContact O-N 3.14Å; V319-V323 HydrophobicContact CG1-CG2 4.22Å; V319-V323 WeakPolarHBondContact O-CG2 3.4Å; V319-V323 PolarHBondContact O-N 2.86Å; V319-F471 HydrophobicContact CB-CD2 4.34Å; V319-F471 HydrophobicContact CB-CE2 4.38Å; V319-F471 HydrophobicContact CG1-CB 3.99Å; V319-F471 HydrophobicContact CG1-CD1 4.17Å; V319-F471 HydrophobicContact CG1-CD2 3.13Å; V319-F471 HydrophobicContact CG1-CE1 4.44Å; V319-F471 HydrophobicContact CG1-CE2 3.44Å; V319-F471 VanDerWaalsContact CG1-CE2 3.44Å; V319-F471 HydrophobicContact CG1-CG 3.52Å; V319-F471 HydrophobicContact CG1-CZ 4.11Å; V319-F471 HydrophobicContact CG2-CD1 4.04Å; V319-F471 HydrophobicContact CG2-CD2 4.28Å; V319-F471 HydrophobicContact CG2-CE1 3.84Å; V319-F471 HydrophobicContact CG2-CE2 4.04Å; V319-F471 HydrophobicContact CG2-CG 4.26Å; V319-F471 HydrophobicContact CG2-CZ 3.84Å
320A87.8Confident86.8Confident2 Ų249.1 Ų49.12%0.01724%0.242CC..Hα-helixtrans-58.5-45.3176.900000111.4K270 M271 S316 I317 F318 W322 V323 V324K270-A320 HydrophobicContact CD-CB 4.47Å; M271-A320 HydrophobicContact SD-CB 4.11Å; S316-A320 VanDerWaalsContact O-CB 3.3Å; S316-A320 WeakPolarHBondContact O-CB 3.47Å; S316-A320 PolarHBondContact O-N 3.2Å; I317-A320 PolarHBondContact O-N 2.91Å; F318-A320 PolarHBondContact O-N 3.16Å; A320-W322 VanDerWaalsContact C-N 3.3Å; A320-W322 PolarHBondContact O-N 3.44Å; A320-V323 PolarHBondContact O-N 2.9Å; A320-V324 WeakPolarHBondContact O-CG2 3.31Å; A320-V324 PolarHBondContact O-N 2.8Å
321T88Confident85.9Confident68 Ų6852 Ų5242%0.41726%0.258SS..Hα-helixtrans-61.5-40.6176-50.90000111.3M271 I317 F318 V319 V324 N325M271-T321 WeakPolarHBondContact CE-OG1 3.5Å; I317-T321 PolarHBondContact O-N 3.32Å; I317-T321 PolarHBondContact O-OG1 3.43Å; F318-T321 WeakPolarHBondContact O-CB 3.44Å; F318-T321 PolarHBondContact O-N 3.15Å; V319-T321 VanDerWaalsContact C-N 3.33Å; V319-T321 PolarHBondContact O-N 3.22Å; T321-V324 PolarHBondContact O-N 3.04Å; T321-N325 WeakPolarHBondContact O-CB 3.47Å; T321-N325 PolarHBondContact O-N 3.39Å
322W89.3Confident85Confident116 Ų11654 Ų5444%0.43926%0.262SS..Hα-helixtrans-63.4-45.6175.9-176.453.4000111.7F318 V319 A320 V324 N325 L326 I467 F471F318-W322 PolarHBondContact O-N 3.41Å; V319-W322 WeakPolarHBondContact O-CB 3.49Å; V319-W322 PolarHBondContact O-N 2.61Å; V319-W322 VanDerWaalsContact O-N 3.14Å; A320-W322 VanDerWaalsContact C-N 3.3Å; A320-W322 PolarHBondContact O-N 3.44Å; W322-V324 VanDerWaalsContact C-N 3.34Å; W322-V324 PolarHBondContact O-N 3.32Å; W322-N325 WeakPolarHBondContact O-CB 3.4Å; W322-N325 PolarHBondContact O-N 3.37Å; W322-L326 HydrophobicContact CD2-CD1 4.11Å; W322-L326 HydrophobicContact CE3-CD1 4.43Å; W322-L326 HydrophobicContact CH2-CD1 4.35Å; W322-L326 HydrophobicContact CZ2-CD1 4.02Å; W322-L326 WeakPolarHBondContact O-CG 3.35Å; W322-L326 PolarHBondContact O-N 3.49Å; W322-I467 HydrophobicContact CE3-CG2 4.33Å; W322-I467 HydrophobicContact CH2-CD1 4.48Å; W322-I467 HydrophobicContact CZ3-CG2 3.91Å; W322-F471 HydrophobicContact CE3-CE2 4.12Å; W322-F471 HydrophobicContact CE3-CZ 4.48Å; W322-F471 AromaticContact CZ3-CE2 3.85Å; W322-F471 HydrophobicContact CZ3-CE2 3.85Å; W322-F471 HydrophobicContact CZ3-CZ 4.1Å
323V87.8Confident83.9Confident0 Ų053.7 Ų53.70%027%0.268CS..Hα-helixtrans-61.6-41.6177175.30000111.1P265 V319 A320 L326 F327 A464 I467P265-V323 HydrophobicContact CB-CG1 4.01Å; V319-V323 HydrophobicContact CG1-CG2 4.22Å; V319-V323 WeakPolarHBondContact O-CG2 3.4Å; V319-V323 PolarHBondContact O-N 2.86Å; A320-V323 PolarHBondContact O-N 2.9Å; V323-L326 PolarHBondContact O-N 2.79Å; V323-F327 PolarHBondContact O-N 3.4Å; V323-A464 HydrophobicContact CG1-CB 3.76Å; V323-I467 HydrophobicContact CG2-CG2 3.83Å
324V86.4Confident83Confident30 Ų3060.8 Ų60.818%0.18230%0.295CS..Hα-helixtrans-61.9-44174.8173.40000110.9A320 T321 W322 L326 F327 Y328A320-V324 WeakPolarHBondContact O-CG2 3.31Å; A320-V324 PolarHBondContact O-N 2.8Å; T321-V324 PolarHBondContact O-N 3.04Å; W322-V324 VanDerWaalsContact C-N 3.34Å; W322-V324 PolarHBondContact O-N 3.32Å; V324-L326 VanDerWaalsContact C-N 3.34Å; V324-L326 PolarHBondContact O-N 3.32Å; V324-F327 WeakPolarHBondContact O-CB 3.41Å; V324-F327 PolarHBondContact O-N 3.27Å; V324-Y328 HydrophobicContact CG1-CD2 3.82Å; V324-Y328 HydrophobicContact CG1-CE2 3.65Å; V324-Y328 VanDerWaalsContact O-CD2 3.32Å; V324-Y328 WeakPolarHBondContact O-CD2 3.32Å; V324-Y328 PolarHBondContact O-N 2.8Å
325N86Confident82.2Confident81 Ų8160.9 Ų60.943%0.43330%0.302SS..Hα-helixtrans-62.5-40.1175.6-174.420.9000112.1T321 W322 F327 Y328 K329T321-N325 WeakPolarHBondContact O-CB 3.47Å; T321-N325 PolarHBondContact O-N 3.39Å; W322-N325 WeakPolarHBondContact O-CB 3.4Å; W322-N325 PolarHBondContact O-N 3.37Å; N325-F327 VanDerWaalsContact C-N 3.33Å; N325-Y328 PolarHBondContact O-N 3.21Å; N325-K329 WeakPolarHBondContact O-CG 3.19Å; N325-K329 PolarHBondContact O-N 2.93Å
326L83.7Confident81.4Confident18 Ų1857 Ų579%0.09428%0.281CS..Hα-helixtrans-64.5-38.1174.6-64.8175.1000111.9W322 V323 V324 K329 G330 W460 I467W322-L326 HydrophobicContact CD2-CD1 4.11Å; W322-L326 HydrophobicContact CE3-CD1 4.43Å; W322-L326 HydrophobicContact CH2-CD1 4.35Å; W322-L326 HydrophobicContact CZ2-CD1 4.02Å; W322-L326 WeakPolarHBondContact O-CG 3.35Å; W322-L326 PolarHBondContact O-N 3.49Å; V323-L326 PolarHBondContact O-N 2.79Å; V324-L326 VanDerWaalsContact C-N 3.34Å; V324-L326 PolarHBondContact O-N 3.32Å; L326-K329 PolarHBondContact O-N 3.46Å; L326-G330 PolarHBondContact O-N 3.38Å; L326-W460 HydrophobicContact CB-CE3 4.4Å; L326-W460 HydrophobicContact CB-CZ3 4.44Å; L326-W460 HydrophobicContact CD2-CZ3 3.97Å; L326-I467 HydrophobicContact CD1-CD1 3.63Å
327F82.5Confident80.9Confident10 Ų1059.4 Ų59.44%0.04430%0.296CS..Hα-helixtrans-61-48.7175.5177.5-89.4000111.4P265 D266 V323 V324 N325 K329 G330 R461P265-F327 HydrophobicContact CB-CB 4.3Å; P265-F327 HydrophobicContact CB-CD2 4.34Å; P265-F327 HydrophobicContact CB-CG 4.42Å; P265-F327 HydrophobicContact CG-CB 4.42Å; P265-F327 HydrophobicContact CG-CD2 3.69Å; P265-F327 HydrophobicContact CG-CE2 4.21Å; P265-F327 HydrophobicContact CG-CG 4.24Å; D266-F327 HydrophobicContact CB-CE1 3.95Å; D266-F327 HydrophobicContact CB-CE2 4.28Å; D266-F327 HydrophobicContact CB-CZ 3.63Å; D266-F327 WeakPolarHBondContact OD1-CE1 3.15Å; V323-F327 PolarHBondContact O-N 3.4Å; V324-F327 WeakPolarHBondContact O-CB 3.41Å; V324-F327 PolarHBondContact O-N 3.27Å; N325-F327 VanDerWaalsContact C-N 3.33Å; F327-K329 PolarHBondContact O-N 3.4Å; F327-G330 PolarHBondContact O-N 2.84Å; F327-G330 VanDerWaalsContact O-N 3.14Å; F327-R461 HydrophobicContact CD2-CG 3.81Å; F327-R461 HydrophobicContact CE2-CG 3.5Å; F327-R461 HydrophobicContact CZ-CG 4.43Å
328Y81.6Confident80.2Confident123 Ų12364.2 Ų64.248%0.48232%0.317SS..Hα-helixtrans-67.7-32.5178.5-77-66.9000113.6V324 N325 G330 N331V324-Y328 HydrophobicContact CG1-CD2 3.82Å; V324-Y328 HydrophobicContact CG1-CE2 3.65Å; V324-Y328 VanDerWaalsContact O-CD2 3.32Å; V324-Y328 WeakPolarHBondContact O-CD2 3.32Å; V324-Y328 PolarHBondContact O-N 2.8Å; N325-Y328 PolarHBondContact O-N 3.21Å; Y328-G330 PolarHBondContact O-N 3.33Å; Y328-N331 WeakPolarHBondContact O-CB 3.33Å; Y328-N331 PolarHBondContact O-N 3.42Å
329K79Confident79.7Confident81 Ų8165 Ų6535%0.35232%0.315SS..Hα-helixtrans-59.1-28.1171.8-79.2179.6-178.9-179.70113.1N325 L326 F327 N331 E332N325-K329 WeakPolarHBondContact O-CG 3.19Å; N325-K329 PolarHBondContact O-N 2.93Å; L326-K329 PolarHBondContact O-N 3.46Å; F327-K329 PolarHBondContact O-N 3.4Å; K329-N331 VanDerWaalsContact C-N 3.32Å; K329-E332 PolarHBondContact O-N 3.05Å
330G71Confident79.2Confident1 Ų165.6 Ų65.61%0.0132%0.317CS..Hα-helixtrans-66.8-31.7173.900000114.2L326 F327 Y328 E332 G333L326-G330 PolarHBondContact O-N 3.38Å; F327-G330 PolarHBondContact O-N 2.84Å; F327-G330 VanDerWaalsContact O-N 3.14Å; Y328-G330 PolarHBondContact O-N 3.33Å; G330-E332 VanDerWaalsContact C-N 3.26Å; G330-E332 PolarHBondContact O-N 3.01Å; G330-G333 PolarHBondContact O-N 3.34Å
331N70.6Confident78.7Confident83 Ų8367.3 Ų67.344%0.44432%0.324SS..Hα-helixtrans-73.4-18.5177.9-72.3-8.7000112.9Y328 K329 G333 K453Y328-N331 WeakPolarHBondContact O-CB 3.33Å; Y328-N331 PolarHBondContact O-N 3.42Å; K329-N331 VanDerWaalsContact C-N 3.32Å; N331-G333 PolarHBondContact O-N 2.95Å; N331-K453 WeakPolarHBondContact O-CE 3.32Å; N331-K453 PolarHBondContact O-NZ 3.02Å
332E71.6Confident78Confident120 Ų12072 Ų7256%0.56133%0.333SS*.THydrogen-bonded Turntrans-75.3-6.6173.7-64.2-168.5172.200113.4K329 G330 R334K329-E332 PolarHBondContact O-N 3.05Å; G330-E332 VanDerWaalsContact C-N 3.26Å; G330-E332 PolarHBondContact O-N 3.01Å; E332-R334 HydrophobicContact CB-CG 4.46Å; E332-R334 IonicContact OE2-CZ 3.4Å; E332-R334 IonicContact OE2-NE 3.02Å; E332-R334 PolarHBondContact OE2-NE 3.19Å; E332-R334 IonicContact OE2-NH2 3.05Å; E332-R334 PolarHBondContact OE2-NH2 2.8Å
333G66.4Low77.5Confident28 Ų2873.3 Ų73.329%0.28934%0.342SS..THydrogen-bonded Turntrans75.221178.400000114.4G330 N331 L456G330-G333 PolarHBondContact O-N 3.34Å; N331-G333 PolarHBondContact O-N 2.95Å; G333-L456 VanDerWaalsContact O-CD1 3.28Å; G333-L456 WeakPolarHBondContact O-CD1 3.33Å
334R71.8Confident76.9Confident153 Ų15375 Ų7558%0.57735%0.351SS*.PPolyproline II helixtrans-77.9134.9173.1-63.7-175.1-164.7-152.92.1110.5E332 W460E332-R334 HydrophobicContact CB-CG 4.46Å; E332-R334 IonicContact OE2-CZ 3.4Å; E332-R334 IonicContact OE2-NE 3.02Å; E332-R334 PolarHBondContact OE2-NE 3.19Å; E332-R334 IonicContact OE2-NH2 3.05Å; E332-R334 PolarHBondContact OE2-NH2 2.8Å; R334-W460 PolarHBondContact O-NE1 3.45Å
335A73.2Confident76.2Confident63 Ų6373.9 Ų73.952%0.52134%0.344SS..PPolyproline II helixtrans-69.1142.1173.300000111.4L456A335-L456 HydrophobicContact CB-CD2 4.37Å
336I75.3Confident75.4Confident15 Ų1572.6 Ų72.68%0.07734%0.337CS..PPolyproline II helixtrans-67.4130.3174.6-61.2178000109F338 I340 R341 I345 E459 W460 L463I336-F338 PolarHBondContact O-N 3.05Å; I336-I340 HydrophobicContact CG2-CB 3.8Å; I336-I340 HydrophobicContact CG2-CG2 3.59Å; I336-R341 HydrophobicContact CG2-CB 4.36Å; I336-I345 HydrophobicContact CD1-CD1 4Å; I336-E459 HydrophobicContact CD1-CB 3.49Å; I336-E459 VanDerWaalsContact CD1-CB 3.49Å; I336-E459 HydrophobicContact CG1-CB 4.44Å; I336-W460 HydrophobicContact CD1-CD2 4.29Å; I336-W460 HydrophobicContact CD1-CG 4.25Å; I336-W460 HydrophobicContact CG1-CD2 3.86Å; I336-W460 HydrophobicContact CG1-CG 4.1Å; I336-W460 HydrophobicContact CG1-CZ2 3.91Å; I336-L463 HydrophobicContact CD1-CB 4.49Å; I336-L463 HydrophobicContact CD1-CD2 4.41Å
337P79.8Confident75.1Confident54 Ų5473.1 Ų73.135%0.35135%0.347SS..PPolyproline II helixtrans-52.6137.1172.6-28.135.4000112.5W339 I340 R341P337-W339 VanDerWaalsContact C-N 3.25Å; P337-W339 HydrophobicContact CB-CG 4.48Å; P337-W339 PolarHBondContact O-N 2.83Å; P337-W339 VanDerWaalsContact O-N 3.14Å; P337-I340 HydrophobicContact CB-CD1 4.17Å; P337-I340 HydrophobicContact CB-CG1 4.38Å; P337-I340 HydrophobicContact CG-CD1 3.97Å; P337-I340 WeakPolarHBondContact O-CB 3.45Å; P337-I340 PolarHBondContact O-N 3.15Å; P337-R341 PolarHBondContact O-N 3.29Å
338F73.6Confident74.7Confident133 Ų13375 Ų7558%0.58336%0.358SS*.Hα-helixtrans-56.7-36.9-172-175.5-97.9000113.7I336 R341 R342I336-F338 PolarHBondContact O-N 3.05Å; F338-R341 PolarHBondContact O-N 3.48Å; F338-R342 PolarHBondContact O-N 2.77Å
339W78.9Confident74.1Confident169 Ų16969.3 Ų69.364%0.6434%0.336SS*.Hα-helixtrans-62.5-45.3176.667.2-70.3000112.2P337 R341 R342 F343P337-W339 VanDerWaalsContact C-N 3.25Å; P337-W339 HydrophobicContact CB-CG 4.48Å; P337-W339 PolarHBondContact O-N 2.83Å; P337-W339 VanDerWaalsContact O-N 3.14Å; W339-R341 VanDerWaalsContact C-N 3.35Å; W339-R341 PolarHBondContact O-N 2.8Å; W339-R342 PolarHBondContact O-N 2.84Å; W339-F343 HydrophobicContact CB-CD2 4.46Å; W339-F343 WeakPolarHBondContact O-CD2 3.35Å; W339-F343 PolarHBondContact O-N 2.88Å
340I79.4Confident73.6Confident30 Ų3072.6 Ų72.615%0.15435%0.346CS..Hα-helixtrans-61.2-44.5177.7-68.7174.5000110.7I336 P337 R342 I344 L463I336-I340 HydrophobicContact CG2-CB 3.8Å; I336-I340 HydrophobicContact CG2-CG2 3.59Å; P337-I340 HydrophobicContact CB-CD1 4.17Å; P337-I340 HydrophobicContact CB-CG1 4.38Å; P337-I340 HydrophobicContact CG-CD1 3.97Å; P337-I340 WeakPolarHBondContact O-CB 3.45Å; P337-I340 PolarHBondContact O-N 3.15Å; I340-R342 PolarHBondContact O-N 3.06Å; I340-I344 HydrophobicContact CG2-CD1 4.16Å; I340-I344 WeakPolarHBondContact O-CB 3.32Å; I340-I344 PolarHBondContact O-N 3.47Å; I340-L463 HydrophobicContact CG2-CD1 3.57Å; I340-L463 HydrophobicContact CG2-CD2 3.68Å; I340-L463 HydrophobicContact CG2-CG 4.3Å
341R76.4Confident73.7Confident38 Ų3879.3 Ų79.314%0.14338%0.38CS..Iπ-helixtrans-60.7-45.8177.2-176.4177.1179.4-168.73.5111.7I336 P337 F338 W339 I345 D346I336-R341 HydrophobicContact CG2-CB 4.36Å; P337-R341 PolarHBondContact O-N 3.29Å; F338-R341 PolarHBondContact O-N 3.48Å; W339-R341 VanDerWaalsContact C-N 3.35Å; W339-R341 PolarHBondContact O-N 2.8Å; R341-I345 HydrophobicContact CG-CB 4.46Å; R341-I345 HydrophobicContact CG-CD1 4.27Å; R341-I345 WeakPolarHBondContact O-CA 3.45Å; R341-I345 WeakPolarHBondContact O-CB 3.4Å; R341-I345 PolarHBondContact O-N 3.26Å; R341-I345 VanDerWaalsContact O-N 3.12Å; R341-D346 PolarHBondContact O-N 3.31Å
342R74.8Confident73.6Confident166 Ų16676.6 Ų76.663%0.62637%0.365SS*.Iπ-helixtrans-67.8-43.6-178.2-172.4174.2-177164.90.9112.8F338 W339 I340 D346 G347F338-R342 PolarHBondContact O-N 2.77Å; W339-R342 PolarHBondContact O-N 2.84Å; I340-R342 PolarHBondContact O-N 3.06Å; R342-D346 WeakPolarHBondContact O-CB 3.46Å; R342-G347 PolarHBondContact O-N 3.25Å
343F78.2Confident73.2Confident143 Ų14373 Ų7363%0.62736%0.361SS*.Iπ-helixtrans-79.5-47.6-177.3-75.9-68.8000112.5W339 G347 L348W339-F343 HydrophobicContact CB-CD2 4.46Å; W339-F343 WeakPolarHBondContact O-CD2 3.35Å; W339-F343 PolarHBondContact O-N 2.88Å; F343-G347 WeakPolarHBondContact O-CA 3.46Å; F343-G347 PolarHBondContact O-N 2.87Å; F343-L348 PolarHBondContact O-N 2.03Å; F343-L348 VanDerWaalsContact O-N 3.14Å
344I75.7Confident73.1Confident36 Ų3672.6 Ų72.619%0.18535%0.352CS..Iπ-helixtrans-88.3-48.3-171-54-171.8000111.5I340 L348 G349 L463 I466 I467I340-I344 HydrophobicContact CG2-CD1 4.16Å; I340-I344 WeakPolarHBondContact O-CB 3.32Å; I340-I344 PolarHBondContact O-N 3.47Å; I344-L348 HydrophobicContact CG1-CD1 4.49Å; I344-L348 HydrophobicContact CG2-CB 4.5Å; I344-L348 CarbonylContact O-C 3.42Å; I344-L348 VanDerWaalsContact O-CB 3.24Å; I344-L348 WeakPolarHBondContact O-CB 3.22Å; I344-L348 PolarHBondContact O-N 2.88Å; I344-G349 PolarHBondContact O-N 3.31Å; I344-L463 HydrophobicContact CB-CD1 3.7Å; I344-L463 HydrophobicContact CD1-CD1 4.04Å; I344-L463 HydrophobicContact CG1-CD1 4.4Å; I344-L463 HydrophobicContact CG2-CD1 3.46Å; I344-L463 VanDerWaalsContact CG2-CD1 3.46Å; I344-I466 HydrophobicContact CG2-CB 4.13Å; I344-I466 HydrophobicContact CG2-CG2 3.49Å; I344-I466 VanDerWaalsContact CG2-CG2 3.49Å; I344-I467 HydrophobicContact CD1-CD1 4.36Å; I344-I467 HydrophobicContact CD1-CG1 4.4Å; I344-I467 HydrophobicContact CG2-CG1 4.36Å
345I70.5Confident72.2Confident7 Ų771.8 Ų71.84%0.03635%0.349CS..Iπ-helixtrans-79.8-49.9-175.8-60.7173.5000110.9I336 R341 G349 L360 L463 I466I336-I345 HydrophobicContact CD1-CD1 4Å; R341-I345 HydrophobicContact CG-CB 4.46Å; R341-I345 HydrophobicContact CG-CD1 4.27Å; R341-I345 WeakPolarHBondContact O-CA 3.45Å; R341-I345 WeakPolarHBondContact O-CB 3.4Å; R341-I345 PolarHBondContact O-N 3.26Å; R341-I345 VanDerWaalsContact O-N 3.12Å; I345-G349 WeakPolarHBondContact O-CA 3.3Å; I345-L360 HydrophobicContact CG2-CD1 3.98Å; I345-L463 HydrophobicContact CG1-CD1 4.26Å; I345-I466 HydrophobicContact CG1-CD1 4.29Å
346D70.2Confident71.2Confident54 Ų5477.7 Ų77.729%0.28937%0.366SS..Iπ-helixtrans-79.2-29-177.5-74.4-40.1000113.5R341 R342 R350R341-D346 PolarHBondContact O-N 3.31Å; R342-D346 WeakPolarHBondContact O-CB 3.46Å; D346-R350 WeakPolarHBondContact O-CD 3.21Å; D346-R350 VanDerWaalsContact O-CG 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.39Å; D346-R350 PolarHBondContact O-NE 3.36Å
347G76Confident70.2Confident29 Ų2983.3 Ų83.330%0.29939%0.394SS..Iπ-helixtrans-90.3-77.9176.700000112.4R342 F343 G349 R350 I351R342-G347 PolarHBondContact O-N 3.25Å; F343-G347 WeakPolarHBondContact O-CA 3.46Å; F343-G347 PolarHBondContact O-N 2.87Å; G347-G349 VanDerWaalsContact C-N 3.31Å; G347-G349 PolarHBondContact O-N 2.88Å; G347-R350 WeakPolarHBondContact O-CB 3.49Å; G347-R350 PolarHBondContact O-N 2.8Å; G347-R350 VanDerWaalsContact O-N 3.08Å; G347-I351 PolarHBondContact O-N 2.91Å
348L74.5Confident68.9Low50 Ų5084.3 Ų84.326%0.26240%0.396SS..Iπ-helixtrans-59.1-37-176.8-90.4148.9000113.7F343 I344 R350 I351 L352 I466 L470F343-L348 PolarHBondContact O-N 2.03Å; F343-L348 VanDerWaalsContact O-N 3.14Å; I344-L348 HydrophobicContact CG1-CD1 4.49Å; I344-L348 HydrophobicContact CG2-CB 4.5Å; I344-L348 CarbonylContact O-C 3.42Å; I344-L348 VanDerWaalsContact O-CB 3.24Å; I344-L348 WeakPolarHBondContact O-CB 3.22Å; I344-L348 PolarHBondContact O-N 2.88Å; L348-R350 PolarHBondContact O-N 3.18Å; L348-I351 PolarHBondContact O-N 2.85Å; L348-I351 VanDerWaalsContact O-N 3.14Å; L348-L352 HydrophobicContact CD2-CD1 4.11Å; L348-L352 WeakPolarHBondContact O-CB 3.25Å; L348-L352 PolarHBondContact O-N 2.71Å; L348-I466 HydrophobicContact CB-CG2 3.92Å; L348-L470 HydrophobicContact CD1-CD1 3.89Å; L348-L470 HydrophobicContact CD2-CD1 3.33Å; L348-L470 HydrophobicContact CG-CD1 4.25Å
349G69.6Low67.8Low2 Ų283.8 Ų83.82%0.02141%0.406CS..Hα-helixtrans-62.9-26.8176.500000114.1I344 I345 G347 G353 I354I344-G349 PolarHBondContact O-N 3.31Å; I345-G349 WeakPolarHBondContact O-CA 3.3Å; G347-G349 VanDerWaalsContact C-N 3.31Å; G347-G349 PolarHBondContact O-N 2.88Å; G349-G353 PolarHBondContact O-N 3.49Å; G349-I354 PolarHBondContact O-N 2.66Å
350R69.5Low66.7Low150 Ų15078.6 Ų78.657%0.56639%0.39SS*.Hα-helixtrans-75.4-41.9171.3-68.8-178.8-164.5-163.6-0.4111.6D346 G347 L348 G353 R355D346-R350 WeakPolarHBondContact O-CD 3.21Å; D346-R350 VanDerWaalsContact O-CG 3.26Å; D346-R350 WeakPolarHBondContact O-CG 3.39Å; D346-R350 PolarHBondContact O-NE 3.36Å; G347-R350 WeakPolarHBondContact O-CB 3.49Å; G347-R350 PolarHBondContact O-N 2.8Å; G347-R350 VanDerWaalsContact O-N 3.08Å; L348-R350 PolarHBondContact O-N 3.18Å; R350-G353 PolarHBondContact O-N 2.91Å; R350-R355 VanDerWaalsContact CZ-NH1 3.26Å
351I72.7Confident65.5Low142 Ų14281.4 Ų81.473%0.72841%0.405SS*.Hα-helixtrans-65.8-40.2-179.9-62.3170.1000110.8G347 L348 G353G347-I351 PolarHBondContact O-N 2.91Å; L348-I351 PolarHBondContact O-N 2.85Å; L348-I351 VanDerWaalsContact O-N 3.14Å; I351-G353 VanDerWaalsContact C-N 3.34Å; I351-G353 PolarHBondContact O-N 3.04Å
352L68.2Low64.2Low26 Ų2685.3 Ų85.314%0.13643%0.428CS..THydrogen-bonded Turntrans-86.83.9-177.8-68.2165.9000114.4L348 I354 I466 R469 L470 I473L348-L352 HydrophobicContact CD2-CD1 4.11Å; L348-L352 WeakPolarHBondContact O-CB 3.25Å; L348-L352 PolarHBondContact O-N 2.71Å; L352-I354 VanDerWaalsContact C-N 3.25Å; L352-I354 HydrophobicContact CB-CD1 4.24Å; L352-I354 HydrophobicContact CB-CG1 4.48Å; L352-I354 PolarHBondContact O-N 2.62Å; L352-I466 HydrophobicContact CD1-CG2 3.92Å; L352-R469 HydrophobicContact CD1-CB 4.16Å; L352-R469 HydrophobicContact CD2-CB 4.3Å; L352-R469 PolarHBondContact O-NH1 2.99Å; L352-L470 HydrophobicContact CD1-CB 4.49Å; L352-I473 HydrophobicContact CD2-CD1 3.4Å; L352-I473 VanDerWaalsContact CD2-CD1 3.4Å
353G63.4Low63Low45 Ų4584 Ų8446%0.46443%0.427SS..THydrogen-bonded Turntrans68.110.1175.800000116.4G349 R350 I351 R355G349-G353 PolarHBondContact O-N 3.49Å; R350-G353 PolarHBondContact O-N 2.91Å; I351-G353 VanDerWaalsContact C-N 3.34Å; I351-G353 PolarHBondContact O-N 3.04Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.84Å
354I64.3Low61.3Low20 Ų2081.6 Ų81.610%0.10343%0.428CS..G310 helixtrans-76.2-19.7-175.1-66.3164.6000112.2G349 L352 Q356 I357 I462 I466 R469G349-I354 PolarHBondContact O-N 2.66Å; L352-I354 VanDerWaalsContact C-N 3.25Å; L352-I354 HydrophobicContact CB-CD1 4.24Å; L352-I354 HydrophobicContact CB-CG1 4.48Å; L352-I354 PolarHBondContact O-N 2.62Å; I354-Q356 PolarHBondContact O-N 3.39Å; I354-I357 PolarHBondContact O-N 2.96Å; I354-I462 HydrophobicContact CG2-CG2 4.44Å; I354-I466 HydrophobicContact CB-CG1 4.44Å; I354-I466 HydrophobicContact CD1-CB 4.31Å; I354-I466 HydrophobicContact CD1-CG1 3.58Å; I354-I466 HydrophobicContact CG2-CG1 4.44Å; I354-R469 HydrophobicContact CD1-CG 4.24Å
355R52.9Low59.8Low136 Ų13686 Ų8651%0.51345%0.446SS..G310 helixtrans-65.1-10.3-172.3-153.7173.4175.4-137-2.9115R350 G353R350-R355 VanDerWaalsContact CZ-NH1 3.26Å; G353-R355 VanDerWaalsContact C-N 3.3Å; G353-R355 PolarHBondContact O-N 2.84Å
356Q52.4Low58.7Low187 Ų18789.6 Ų89.687%0.87446%0.459SS*.G310 helixtrans-89.4-12.4-178.7-82.6175.2-16.400115.1I354I354-Q356 PolarHBondContact O-N 3.39Å
357I52.8Low57.7Low132 Ų13294.1 Ų94.168%0.67748%0.483SS*.SBendtrans-96.6-19.3-170.9-65.7163.5000113.1I354I354-I357 PolarHBondContact O-N 2.96Å
358I52.4Low56.2Low76 Ų7696.5 Ų96.539%0.3949%0.489SS..  trans-140.4107.7-177.4-52.4170.6000110.4L360 I462I358-L360 PolarHBondContact O-N 3.3Å; I358-I462 HydrophobicContact CB-CD1 3.97Å; I358-I462 HydrophobicContact CD1-CD1 3.84Å; I358-I462 HydrophobicContact CD1-CG1 3.74Å; I358-I462 HydrophobicContact CG1-CD1 4.47Å; I358-I462 HydrophobicContact CG2-CD1 4Å
359P52Low55Low122 Ų12296.7 Ų96.779%0.79249%0.493SS*.  trans-70.2111.2174.527.4-31.1000109.8
360L55.9Low54Low59 Ų59102.2 Ų102.231%0.30952%0.518SS..PPolyproline II helixtrans-68.6130.4171.9-71.1169.9000109.7I345 I358 D362 E459 I462I345-L360 HydrophobicContact CG2-CD1 3.98Å; I358-L360 PolarHBondContact O-N 3.3Å; L360-D362 PolarHBondContact O-N 3.41Å; L360-E459 HydrophobicContact CD2-CG 3.75Å; L360-I462 HydrophobicContact CD2-CD1 4.11Å
361I53.4Low53Low90 Ų9098.9 Ų98.946%0.46251%0.511SS..PPolyproline II helixtrans-55.8130.2175.8-71.9165.1000110.3K365I361-K365 HydrophobicContact CG2-CB 3.89Å; I361-K365 HydrophobicContact CG2-CD 3.72Å; I361-K365 HydrophobicContact CG2-CG 4.15Å
362D49.5Very low51.7Low119 Ų11994.1 Ų94.164%0.63649%0.49SS*.PPolyproline II helixtrans-54.9147.9-174.8-1591.4000113L360 S364 K365L360-D362 PolarHBondContact O-N 3.41Å; D362-S364 PolarHBondContact O-N 2.86Å; D362-K365 PolarHBondContact O-N 2.85Å
363K49.1Very low50.8Low139 Ų13994.7 Ų94.760%0.60450%0.496SS*.G310 helixtrans-54.5-22.9-175.5-96.1178.5175.2177.10113.1K365 R366K363-K365 VanDerWaalsContact C-N 3.34Å; K363-K365 PolarHBondContact O-N 3Å; K363-R366 PolarHBondContact O-N 2.96Å
364S42.7Very low49.9Very low93 Ų9397.2 Ų97.265%0.6550%0.498SS*.G310 helixtrans-68.2-24.8-176.867.50000114.5D362D362-S364 PolarHBondContact O-N 2.86Å
365K45Very low48.9Very low129 Ų129102.8 Ų102.856%0.56152%0.522SS*.G310 helixtrans-82.4-9.6178-73.2-168-179.5-178.80114.5I361 D362 K363I361-K365 HydrophobicContact CG2-CB 3.89Å; I361-K365 HydrophobicContact CG2-CD 3.72Å; I361-K365 HydrophobicContact CG2-CG 4.15Å; D362-K365 PolarHBondContact O-N 2.85Å; K363-K365 VanDerWaalsContact C-N 3.34Å; K363-K365 PolarHBondContact O-N 3Å
366R47Very low48.6Very low82 Ų82101.1 Ų101.131%0.30952%0.522SS..SBendtrans-86-18.4-175-68.3-172-160.4-152.10.5114.9K363 E459K363-R366 PolarHBondContact O-N 2.96Å; R366-E459 IonicContact CZ-OE1 3.43Å; R366-E459 IonicContact CZ-OE2 3.91Å; R366-E459 IonicContact NH1-OE1 3.35Å; R366-E459 PolarHBondContact NH1-OE1 3.37Å; R366-E459 IonicContact NH1-OE2 3.2Å; R366-E459 PolarHBondContact NH1-OE2 3.39Å; R366-E459 IonicContact NH2-OE1 2.64Å; R366-E459 PolarHBondContact NH2-OE1 3.27Å; R366-E459 IonicContact NH2-OE2 3.8Å
367L48.5Very low48.2Very low149 Ų14994.9 Ų94.978%0.7850%0.499SS*.SBendtrans-92-20.7-169.1-142.680.7000114
368N44.8Very low47.7Very low79 Ų7994 Ų9442%0.42249%0.493SS..  trans-166.696.7172.4-87.8-35.1000110.4E370 I371 S372N368-E370 PolarHBondContact O-N 3.23Å; N368-I371 HydrophobicContact CB-CB 3.78Å; N368-I371 HydrophobicContact CB-CD1 3.63Å; N368-I371 HydrophobicContact CB-CG1 3.59Å; N368-I371 WeakPolarHBondContact ND2-CD1 3.21Å; N368-I371 PolarHBondContact O-N 2.84Å; N368-I371 VanDerWaalsContact O-N 3.07Å; N368-S372 PolarHBondContact O-N 2.81Å
369P48.6Very low47.3Very low54 Ų5495.9 Ų95.935%0.35150%0.504SS..Hα-helixtrans-57.3-29.8174.318.7-28.2000112.3S372 S373 I448P369-S372 PolarHBondContact O-N 3.14Å; P369-S372 PolarHBondContact O-OG 3.17Å; P369-S373 PolarHBondContact O-N 3.25Å; P369-I448 HydrophobicContact CB-CG2 3.72Å
370E48.7Very low46.9Very low118 Ų11896 Ų9655%0.55150%0.495SS*.Hα-helixtrans-67-34176.2-64.3-178.8172.900113.2N368 S373 L374 M445N368-E370 PolarHBondContact O-N 3.23Å; E370-S373 PolarHBondContact O-OG 3.34Å; E370-S373 VanDerWaalsContact O-OG 3.08Å; E370-L374 WeakPolarHBondContact O-CB 3.45Å; E370-L374 PolarHBondContact O-N 3.44Å; E370-M445 HydrophobicContact CG-CE 4.41Å
371I48Very low46.3Very low80 Ų8097.5 Ų97.541%0.4151%0.506SS..Hα-helixtrans-76.5-31.4-179.7-67.2-179.5000111.1N368 K375N368-I371 HydrophobicContact CB-CB 3.78Å; N368-I371 HydrophobicContact CB-CD1 3.63Å; N368-I371 HydrophobicContact CB-CG1 3.59Å; N368-I371 WeakPolarHBondContact ND2-CD1 3.21Å; N368-I371 PolarHBondContact O-N 2.84Å; N368-I371 VanDerWaalsContact O-N 3.07Å; I371-K375 HydrophobicContact CG2-CD 4.28Å; I371-K375 WeakPolarHBondContact O-CG 3.4Å; I371-K375 PolarHBondContact O-N 3.18Å
372S47Very low45.5Very low41 Ų4198.9 Ų98.929%0.28751%0.514SS..Hα-helixtrans-69.5-36.8177.243.80000113.1N368 P369 I376N368-S372 PolarHBondContact O-N 2.81Å; P369-S372 PolarHBondContact O-N 3.14Å; P369-S372 PolarHBondContact O-OG 3.17Å; S372-I376 WeakPolarHBondContact O-CD1 3.39Å; S372-I376 VanDerWaalsContact O-CG1 3.27Å; S372-I376 WeakPolarHBondContact O-CG1 3.4Å; S372-I376 PolarHBondContact O-N 3.3Å
373S48.6Very low45.1Very low38 Ų3897.3 Ų97.327%0.26651%0.512SS..Hα-helixtrans-74.3-35.2176.155.60000112.2P369 E370 K375 I376 S377P369-S373 PolarHBondContact O-N 3.25Å; E370-S373 PolarHBondContact O-OG 3.34Å; E370-S373 VanDerWaalsContact O-OG 3.08Å; S373-K375 VanDerWaalsContact C-N 3.35Å; S373-I376 PolarHBondContact O-N 2.74Å; S373-S377 PolarHBondContact O-N 3.03Å; S373-S377 PolarHBondContact O-OG 3.03Å
374L44.7Very low44.5Very low98 Ų9897.5 Ų97.551%0.51352%0.519SS..Hα-helixtrans-62.4-37.5171.3-96.6152000112.9E370 S377 M378E370-L374 WeakPolarHBondContact O-CB 3.45Å; E370-L374 PolarHBondContact O-N 3.44Å; L374-S377 PolarHBondContact O-OG 2.76Å; L374-S377 VanDerWaalsContact O-OG 3.08Å; L374-M378 VanDerWaalsContact O-CB 3.29Å; L374-M378 WeakPolarHBondContact O-CB 3.4Å; L374-M378 VanDerWaalsContact O-CG 3.25Å; L374-M378 WeakPolarHBondContact O-CG 3.46Å; L374-M378 PolarHBondContact O-N 2.82Å
375K43.8Very low44Very low137 Ų137101 Ų10160%0.59653%0.525SS*.Hα-helixtrans-71.9-32.9176-77.3-179.1177.5-175.30113.2I371 S373 N379I371-K375 HydrophobicContact CG2-CD 4.28Å; I371-K375 WeakPolarHBondContact O-CG 3.4Å; I371-K375 PolarHBondContact O-N 3.18Å; S373-K375 VanDerWaalsContact C-N 3.35Å; K375-N379 WeakPolarHBondContact O-CB 3.34Å; K375-N379 PolarHBondContact O-N 2.9Å
376I46.2Very low43.3Very low101 Ų101100.7 Ų100.752%0.51853%0.534SS..Hα-helixtrans-72.5-43.5176.6-66163.4000110S372 S373 M378 N379 E380S372-I376 WeakPolarHBondContact O-CD1 3.39Å; S372-I376 VanDerWaalsContact O-CG1 3.27Å; S372-I376 WeakPolarHBondContact O-CG1 3.4Å; S372-I376 PolarHBondContact O-N 3.3Å; S373-I376 PolarHBondContact O-N 2.74Å; I376-M378 VanDerWaalsContact C-N 3.35Å; I376-M378 PolarHBondContact O-N 2.89Å; I376-N379 PolarHBondContact O-N 2.87Å; I376-E380 PolarHBondContact O-N 2.83Å
377S43.7Very low42.5Very low57 Ų57104.6 Ų104.640%0.39956%0.561SS.*Hα-helixtrans-66.8-34.217667.10000112.9S373 L374 T381S373-S377 PolarHBondContact O-N 3.03Å; S373-S377 PolarHBondContact O-OG 3.03Å; L374-S377 PolarHBondContact O-OG 2.76Å; L374-S377 VanDerWaalsContact O-OG 3.08Å; S377-T381 WeakPolarHBondContact O-CB 2.96Å; S377-T381 WeakPolarHBondContact O-CG2 3.41Å; S377-T381 PolarHBondContact O-N 2.91Å; S377-T381 PolarHBondContact O-OG1 2.8Å
378M43Very low41.8Very low113 Ų113103 Ų10356%0.55756%0.559SS**Hα-helixtrans-68.9-35.3172.4-79178.314000112.9L374 I376 T381 N382L374-M378 VanDerWaalsContact O-CB 3.29Å; L374-M378 WeakPolarHBondContact O-CB 3.4Å; L374-M378 VanDerWaalsContact O-CG 3.25Å; L374-M378 WeakPolarHBondContact O-CG 3.46Å; L374-M378 PolarHBondContact O-N 2.82Å; I376-M378 VanDerWaalsContact C-N 3.35Å; I376-M378 PolarHBondContact O-N 2.89Å; M378-T381 WeakPolarHBondContact CA-OG1 3.31Å; M378-T381 PolarHBondContact O-OG1 2.98Å; M378-N382 VanDerWaalsContact O-CB 3.23Å; M378-N382 WeakPolarHBondContact O-CB 3.46Å; M378-N382 PolarHBondContact O-N 2.86Å; M378-N382 PolarHBondContact O-ND2 2.83Å; M378-N382 VanDerWaalsContact O-ND2 3.07Å
379N43.1Very low41.4Very low115 Ų115107.8 Ų107.862%0.61558%0.579SS**Hα-helixtrans-77.7-28.6177.7-85.3-0.2000113.4K375 I376 S383K375-N379 WeakPolarHBondContact O-CB 3.34Å; K375-N379 PolarHBondContact O-N 2.9Å; I376-N379 PolarHBondContact O-N 2.87Å; N379-S383 WeakPolarHBondContact O-CB 3.44Å; N379-S383 PolarHBondContact O-N 2.97Å; N379-S383 PolarHBondContact O-OG 2.78Å; N379-S383 VanDerWaalsContact O-OG 3.1Å
380E43.6Very low40.7Very low126 Ų126112.1 Ų112.159%0.58960%0.599SS**Hα-helixtrans-78.6-27.6172.7-74.9-179.7165.200113I376 S383 I384I376-E380 PolarHBondContact O-N 2.83Å; E380-S383 PolarHBondContact O-OG 2.9Å; E380-I384 WeakPolarHBondContact O-CD1 3.34Å
381T42.8Very low40Very low89 Ų89114 Ų11455%0.54661%0.607SS.*Hα-helixtrans-79.1-29.2172.143.50000112.5S377 M378S377-T381 WeakPolarHBondContact O-CB 2.96Å; S377-T381 WeakPolarHBondContact O-CG2 3.41Å; S377-T381 PolarHBondContact O-N 2.91Å; S377-T381 PolarHBondContact O-OG1 2.8Å; M378-T381 WeakPolarHBondContact CA-OG1 3.31Å; M378-T381 PolarHBondContact O-OG1 2.98Å
382N37.9Very low39.1Very low120 Ų120116.6 Ų116.664%0.64262%0.622SS**Hα-helixtrans-81.7-12.3175.9-69.9-19.7000114.1M378M378-N382 VanDerWaalsContact O-CB 3.23Å; M378-N382 WeakPolarHBondContact O-CB 3.46Å; M378-N382 PolarHBondContact O-N 2.86Å; M378-N382 PolarHBondContact O-ND2 2.83Å; M378-N382 VanDerWaalsContact O-ND2 3.07Å
383S40.4Very low38.4Very low85 Ų85122.5 Ų122.559%0.59465%0.649SS**THydrogen-bonded Turntrans-96.10.2177.160.90000114.5N379 E380N379-S383 WeakPolarHBondContact O-CB 3.44Å; N379-S383 PolarHBondContact O-N 2.97Å; N379-S383 PolarHBondContact O-OG 2.78Å; N379-S383 VanDerWaalsContact O-OG 3.1Å; E380-S383 PolarHBondContact O-OG 2.9Å
384I36.4Very low37.5Very low143 Ų143126 Ų12673%0.73367%0.668SS**SBendtrans-1070.8178.6-63.3174.3000112.5E380E380-I384 WeakPolarHBondContact O-CD1 3.34Å
385Q32.8Very low36.7Very low168 Ų168126.8 Ų126.879%0.78567%0.674SS**  trans-125.880178.8-72.8-175.7-6.600112.6
386T30Very low36Very low122 Ų122127.4 Ų127.475%0.74868%0.678SS**  trans-123.588.2158.756.50000109.4
387N30.9Very low35.2Very low164 Ų164132.8 Ų132.888%0.87769%0.694SS**  trans-177.4101.2142.5-100.3-9.9000110
388P33.4Very low34.6Very low115 Ų115134.2 Ų134.275%0.74770%0.703SS**  trans-99.8106.3169.132.6-20.9000109.7
389H36.1Very low33.9Very low180 Ų180139.3 Ų139.383%0.83372%0.718SS**  trans-166.194.6152.4-98.4-55000110.4
390N33.8Very low33.5Very low144 Ų144141.8 Ų141.877%0.7773%0.73SS**  168.8109.3114-91.9-13.8000111.4
391H33Very low32.8Very low158 Ų158142.2 Ų142.273%0.73174%0.736SS**  trans29.6124.9138.4-85.9-68000121.4
392N28.9Very low32.3Very low134 Ų134144.8 Ų144.872%0.71775%0.746SS**  trans79.2107.3139.9-57.5-11.7000116.2
393I33.7Very low32.2Very low165 Ų165143.8 Ų143.885%0.84675%0.749SS**  -163.1110.7113.2-85.6143.2000108.2
394T28.8Very low31.8Very low111 Ų111147.1 Ų147.168%0.68176%0.758SS**  trans-31.6160.9149.944.40000114.8
395N29.2Very low31.8Very low116 Ų116146.7 Ų146.762%0.6276%0.756SS**  cis-164143.81.3-101.6-18.7000104.1
396H28.1Very low31.9Very low149 Ų149145.1 Ų145.169%0.6975%0.753SS**  47116.4102.2-125.2-68.4000113.4
397Y30.4Very low32.1Very low215 Ų215145 Ų14584%0.84375%0.748SS**  trans-162.5107.3135-79.8-56.5000111.7
398S29.8Very low32.4Very low87 Ų87142.7 Ų142.761%0.60874%0.736SS**  trans-68.9143.715544.90000110.7
399Y28.8Very low32.4Very low219 Ų219143.4 Ų143.486%0.85973%0.733SS**  trans-2.7128.8153.4-72.1-95.2000117.3
400I34.4Very low32.2Very low168 Ų168142.9 Ų142.986%0.86273%0.731SS**  -175.8121.8126-88.9149.3000110.9
401N28.3Very low32.2Very low135 Ų135142.5 Ų142.572%0.72273%0.734SS**  trans-6143.6155.3-75.8-9.6000123.3
402N32.5Very low32.5Very low142 Ų142140.2 Ų140.276%0.75973%0.726SS**  104.5141.6125-80.9-4.5000122.4
403S35.6Very low32.9Very low99 Ų99142.8 Ų142.869%0.69273%0.733SS**  trans7294.8160.345.30000117.2
404I32.9Very low33.3Very low156 Ų156139.2 Ų139.280%0.872%0.723SS**  79.3132.871.8-56.4159.8000112
405I35.5Very low34.1Very low133 Ų133139.7 Ų139.768%0.68272%0.717SS**  trans113.995.8148.6-53.7-169.4000115.7
406N35.2Very low34.7Very low135 Ų135139.3 Ų139.372%0.72272%0.715SS**  61.6143.6123.2-57-0.7000118.2
407N35.6Very low35.3Very low120 Ų120140 Ų14064%0.64272%0.716SS**  cis-167.2162.421.9-13423.5000110.5
408D36.6Very low36Very low116 Ų116133.6 Ų133.662%0.6270%0.7SS**  trans85.992.7147.3-56.6-31.8000121.2
409N32.5Very low36.9Very low129 Ų129134.8 Ų134.869%0.6970%0.699SS**  77.9110112.5-70.3-24.5000121.5
410Q33.4Very low37.6Very low169 Ų169131.4 Ų131.479%0.7969%0.686SS**  74.589.1126.6-67.4-177.2-12.300117.6
411T33.6Very low38.5Very low136 Ų136126.5 Ų126.583%0.83466%0.664SS**  -172.9158.9127.319.90000107.1
412I39.4Very low39.7Very low110 Ų110123.5 Ų123.556%0.56465%0.65SS**  trans89.564.1176.3-40.5162.4000114.8S414 E415I412-S414 VanDerWaalsContact C-N 3.31Å; I412-E415 HydrophobicContact CG2-CB 3.72Å; I412-E415 HydrophobicContact CG2-CG 3.6Å; I412-E415 WeakPolarHBondContact CG2-OE2 3.27Å
413H36.9Very low40.7Very low189 Ų189122.6 Ų122.688%0.87564%0.642SS**SBendtrans-84.810.9169.4-112.5-69000114.4
414S41.2Very low41.4Very low89 Ų89123.8 Ų123.862%0.62264%0.638SS**SBendtrans-112.8-19.8-18066.50000115.5I412I412-S414 VanDerWaalsContact C-N 3.31Å
415E45.7Very low42.4Very low122 Ų122120.7 Ų120.757%0.5762%0.623SS**Hα-helixtrans-85.9-25.5-179.6-68.9-178.9166.900112.9I412 F417 T418 D419I412-E415 HydrophobicContact CG2-CB 3.72Å; I412-E415 HydrophobicContact CG2-CG 3.6Å; I412-E415 WeakPolarHBondContact CG2-OE2 3.27Å; E415-F417 VanDerWaalsContact C-N 3.32Å; E415-F417 PolarHBondContact O-N 2.82Å; E415-T418 WeakPolarHBondContact CA-OG1 3.33Å; E415-T418 PolarHBondContact O-N 2.85Å; E415-T418 PolarHBondContact O-OG1 2.8Å; E415-D419 PolarHBondContact O-N 2.82Å
416L42.7Very low43.4Very low108 Ų108118.9 Ų118.957%0.56561%0.614SS**Hα-helixtrans-67.8-33.2177.7-148.179.1000111.9Y420L416-Y420 HydrophobicContact CD2-CD2 4.44Å; L416-Y420 HydrophobicContact CD2-CE2 3.85Å; L416-Y420 HydrophobicContact CG-CD2 4.1Å; L416-Y420 HydrophobicContact CG-CE2 3.8Å; L416-Y420 WeakPolarHBondContact O-CD2 2.93Å; L416-Y420 PolarHBondContact O-N 3.44Å; L416-Y420 VanDerWaalsContact O-N 3.14Å
417F40.3Very low44.6Very low163 Ų163117 Ų11772%0.71560%0.604SS**Hα-helixtrans-74.2-27.3-179.4-130.2-88000112.6E415 T421E415-F417 VanDerWaalsContact C-N 3.32Å; E415-F417 PolarHBondContact O-N 2.82Å; F417-T421 HydrophobicContact CD1-CG2 4.36Å; F417-T421 WeakPolarHBondContact O-CB 3.32Å; F417-T421 VanDerWaalsContact O-CG2 3.3Å; F417-T421 WeakPolarHBondContact O-CG2 3.14Å; F417-T421 PolarHBondContact O-N 3.11Å; F417-T421 VanDerWaalsContact O-N 3.16Å; F417-T421 PolarHBondContact O-OG1 2.58Å
418T46.1Very low45.9Very low81 Ų81116.9 Ų116.950%0.49760%0.598SS.*Hα-helixtrans-74.7-33.717539.10000112.6E415 T421 T422E415-T418 WeakPolarHBondContact CA-OG1 3.33Å; E415-T418 PolarHBondContact O-N 2.85Å; E415-T418 PolarHBondContact O-OG1 2.8Å; T418-T421 WeakPolarHBondContact CA-OG1 3.47Å; T418-T421 PolarHBondContact O-OG1 2.76Å; T418-T421 VanDerWaalsContact O-OG1 3.06Å; T418-T422 PolarHBondContact O-N 3.41Å; T418-T422 VanDerWaalsContact O-N 3.09Å; T418-T422 PolarHBondContact O-OG1 3.41Å
419D47.6Very low47.2Very low111 Ų111117 Ų11759%0.59460%0.598SS**Hα-helixtrans-74.5-40.7175.1-87.7-10.8000112.3E415 T421 T422 E423E415-D419 PolarHBondContact O-N 2.82Å; D419-T421 VanDerWaalsContact C-N 3.32Å; D419-T421 PolarHBondContact O-N 2.94Å; D419-T422 WeakPolarHBondContact CA-OG1 3.18Å; D419-T422 PolarHBondContact O-N 2.92Å; D419-T422 PolarHBondContact O-OG1 3.5Å; D419-T422 VanDerWaalsContact O-OG1 3.07Å; D419-E423 PolarHBondContact O-N 2.95Å
420Y44.1Very low48.8Very low149 Ų149118 Ų11858%0.58460%0.597SS**Hα-helixtrans-64.5-36.1173.9-83.8-68.1000112.5L416 M424L416-Y420 HydrophobicContact CD2-CD2 4.44Å; L416-Y420 HydrophobicContact CD2-CE2 3.85Å; L416-Y420 HydrophobicContact CG-CD2 4.1Å; L416-Y420 HydrophobicContact CG-CE2 3.8Å; L416-Y420 WeakPolarHBondContact O-CD2 2.93Å; L416-Y420 PolarHBondContact O-N 3.44Å; L416-Y420 VanDerWaalsContact O-N 3.14Å; Y420-M424 VanDerWaalsContact O-CB 3.27Å; Y420-M424 WeakPolarHBondContact O-CB 3.44Å; Y420-M424 PolarHBondContact O-N 3.49Å
421T53Low50.4Low65 Ų65116.4 Ų116.440%0.39959%0.589SS.*Hα-helixtrans-73.5-32.2177.347.60000112.7F417 T418 D419 N425F417-T421 HydrophobicContact CD1-CG2 4.36Å; F417-T421 WeakPolarHBondContact O-CB 3.32Å; F417-T421 VanDerWaalsContact O-CG2 3.3Å; F417-T421 WeakPolarHBondContact O-CG2 3.14Å; F417-T421 PolarHBondContact O-N 3.11Å; F417-T421 VanDerWaalsContact O-N 3.16Å; F417-T421 PolarHBondContact O-OG1 2.58Å; T418-T421 WeakPolarHBondContact CA-OG1 3.47Å; T418-T421 PolarHBondContact O-OG1 2.76Å; T418-T421 VanDerWaalsContact O-OG1 3.06Å; D419-T421 VanDerWaalsContact C-N 3.32Å; D419-T421 PolarHBondContact O-N 2.94Å; T421-N425 VanDerWaalsContact O-CB 3.31Å; T421-N425 WeakPolarHBondContact O-CB 3.44Å; T421-N425 VanDerWaalsContact O-CG 3.24Å; T421-N425 PolarHBondContact O-N 3.34Å; T421-N425 PolarHBondContact O-ND2 3.47Å
422T52.7Low52Low72 Ų72115.6 Ų115.644%0.44258%0.575SS.*Hα-helixtrans-73.4-37.9173.234.30000112.8T418 D419 N425 N426T418-T422 PolarHBondContact O-N 3.41Å; T418-T422 VanDerWaalsContact O-N 3.09Å; T418-T422 PolarHBondContact O-OG1 3.41Å; D419-T422 WeakPolarHBondContact CA-OG1 3.18Å; D419-T422 PolarHBondContact O-N 2.92Å; D419-T422 PolarHBondContact O-OG1 3.5Å; D419-T422 VanDerWaalsContact O-OG1 3.07Å; T422-N425 PolarHBondContact O-N 3.05Å; T422-N426 WeakPolarHBondContact O-CB 3.41Å; T422-N426 VanDerWaalsContact O-CG 3.31Å; T422-N426 PolarHBondContact O-N 3.37Å; T422-N426 PolarHBondContact O-ND2 3.21Å
423E53.2Low53.4Low123 Ų123114.1 Ų114.158%0.57558%0.575SS**Hα-helixtrans-65.8-41.3171.1-89.2-165.3143.600112.7D419 N425 N426 N427D419-E423 PolarHBondContact O-N 2.95Å; E423-N425 VanDerWaalsContact C-N 3.31Å; E423-N425 PolarHBondContact O-N 3.03Å; E423-N426 PolarHBondContact O-N 3.34Å; E423-N427 PolarHBondContact O-N 3.49Å; E423-N427 PolarHBondContact O-ND2 3.18Å
424M50.8Low55Low124 Ų124112.5 Ų112.561%0.61156%0.562SS**Hα-helixtrans-66.5-35.3177.5-154.2-173.5-161.200111.6Y420 K428Y420-M424 VanDerWaalsContact O-CB 3.27Å; Y420-M424 WeakPolarHBondContact O-CB 3.44Å; Y420-M424 PolarHBondContact O-N 3.49Å; M424-K428 WeakPolarHBondContact O-CG 3.29Å; M424-K428 PolarHBondContact O-N 3.27Å; M424-K428 VanDerWaalsContact O-N 3.08Å
425N53.6Low56.6Low91 Ų91112.1 Ų112.149%0.48755%0.553SS.*Hα-helixtrans-70-39.5172.7-78.9-20.9000112.3T421 T422 E423 N427 K428 L429T421-N425 VanDerWaalsContact O-CB 3.31Å; T421-N425 WeakPolarHBondContact O-CB 3.44Å; T421-N425 VanDerWaalsContact O-CG 3.24Å; T421-N425 PolarHBondContact O-N 3.34Å; T421-N425 PolarHBondContact O-ND2 3.47Å; T422-N425 PolarHBondContact O-N 3.05Å; E423-N425 VanDerWaalsContact C-N 3.31Å; E423-N425 PolarHBondContact O-N 3.03Å; N425-N427 PolarHBondContact O-N 3.11Å; N425-K428 PolarHBondContact O-N 2.94Å; N425-L429 WeakPolarHBondContact O-CB 3.11Å; N425-L429 PolarHBondContact O-N 3.44Å
426N58.3Low58.1Low94 Ų94111.1 Ų111.150%0.50355%0.55SS.*Hα-helixtrans-64.9-37175.4-80.1-25.3000112.5T422 E423 L429 K430T422-N426 WeakPolarHBondContact O-CB 3.41Å; T422-N426 VanDerWaalsContact O-CG 3.31Å; T422-N426 PolarHBondContact O-N 3.37Å; T422-N426 PolarHBondContact O-ND2 3.21Å; E423-N426 PolarHBondContact O-N 3.34Å; N426-L429 PolarHBondContact O-N 3.2Å; N426-K430 WeakPolarHBondContact O-CG 3.27Å; N426-K430 PolarHBondContact O-N 2.71Å
427N60.4Low59.7Low96 Ų96112.2 Ų112.251%0.51355%0.551SS.*Hα-helixtrans-70.6-39.5175.2-72.5-23.9000112.1E423 N425 K430 Q431E423-N427 PolarHBondContact O-N 3.49Å; E423-N427 PolarHBondContact O-ND2 3.18Å; N425-N427 PolarHBondContact O-N 3.11Å; N427-K430 PolarHBondContact O-N 2.71Å; N427-Q431 WeakPolarHBondContact O-CB 3.49Å; N427-Q431 PolarHBondContact O-N 2.79Å
428K62.7Low61.4Low118 Ų118108.7 Ų108.751%0.51354%0.537SS..Hα-helixtrans-62.2-41.3170.5-78.6178.9179.2174.30112.2M424 N425 Q431 H432M424-K428 WeakPolarHBondContact O-CG 3.29Å; M424-K428 PolarHBondContact O-N 3.27Å; M424-K428 VanDerWaalsContact O-N 3.08Å; N425-K428 PolarHBondContact O-N 2.94Å; K428-Q431 PolarHBondContact O-N 3Å; K428-H432 PolarHBondContact O-CD2 3.04Å; K428-H432 PolarHBondContact O-N 3.27Å
429L62.8Low63Low118 Ų118111.3 Ų111.362%0.61854%0.541SS*.Hα-helixtrans-64.8-42.4177.1-111.9151.7000112.3N425 N426 Q431 H432 S433N425-L429 WeakPolarHBondContact O-CB 3.11Å; N425-L429 PolarHBondContact O-N 3.44Å; N426-L429 PolarHBondContact O-N 3.2Å; L429-Q431 VanDerWaalsContact C-N 3.32Å; L429-Q431 PolarHBondContact O-N 3.5Å; L429-H432 PolarHBondContact O-N 2.73Å; L429-S433 WeakPolarHBondContact O-CB 3.44Å; L429-S433 PolarHBondContact O-N 2.76Å
430K66.9Low64.4Low151 Ų151111 Ų11166%0.65754%0.539SS*.Hα-helixtrans-61.6-40.2173.2-79.3178-179.9173.90111.8N426 N427 S433 Y434N426-K430 WeakPolarHBondContact O-CG 3.27Å; N426-K430 PolarHBondContact O-N 2.71Å; N427-K430 PolarHBondContact O-N 2.71Å; K430-S433 WeakPolarHBondContact O-CB 3.32Å; K430-S433 PolarHBondContact O-N 2.88Å; K430-Y434 PolarHBondContact O-N 2.59Å
431Q66.3Low66.2Low134 Ų134109.2 Ų109.263%0.62654%0.536SS*.Hα-helixtrans-71.3-37.4178.4-162.8146.8-5.100112.4N427 K428 L429 Y434 N435N427-Q431 WeakPolarHBondContact O-CB 3.49Å; N427-Q431 PolarHBondContact O-N 2.79Å; K428-Q431 PolarHBondContact O-N 3Å; L429-Q431 VanDerWaalsContact C-N 3.32Å; L429-Q431 PolarHBondContact O-N 3.5Å; Q431-Y434 PolarHBondContact O-N 2.9Å; Q431-N435 VanDerWaalsContact O-CG 3.25Å; Q431-N435 PolarHBondContact O-N 3.01Å; Q431-N435 PolarHBondContact O-OD1 3.01Å
432H66.6Low67.4Low120 Ų120110.3 Ų110.356%0.55654%0.539SS*.Hα-helixtrans-63.9-41.5170.6-84.9-67.3000112.5K428 L429 Y434 N435 I436K428-H432 PolarHBondContact O-CD2 3.04Å; K428-H432 PolarHBondContact O-N 3.27Å; L429-H432 PolarHBondContact O-N 2.73Å; H432-Y434 PolarHBondContact O-N 3.08Å; H432-N435 PolarHBondContact O-N 2.99Å; H432-I436 WeakPolarHBondContact O-CB 3.4Å; H432-I436 WeakPolarHBondContact O-CD1 3.36Å; H432-I436 VanDerWaalsContact O-CG1 3.24Å; H432-I436 WeakPolarHBondContact O-CG1 3.41Å; H432-I436 PolarHBondContact O-N 2.91Å
433S70.4Confident68.7Low78 Ų78110 Ų11055%0.54553%0.534SS..Hα-helixtrans-58.4-44.9173.81620000112.1L429 K430 I436 K437L429-S433 WeakPolarHBondContact O-CB 3.44Å; L429-S433 PolarHBondContact O-N 2.76Å; K430-S433 WeakPolarHBondContact O-CB 3.32Å; K430-S433 PolarHBondContact O-N 2.88Å; S433-I436 PolarHBondContact O-N 3.11Å; S433-K437 WeakPolarHBondContact O-CB 3.45Å; S433-K437 PolarHBondContact O-N 2.76Å
434Y69.7Low70Confident155 Ų155107.6 Ų107.661%0.60853%0.525SS*.Hα-helixtrans-62.9-47.1177-172.8-91.5000112.1K430 Q431 H432 I436 K437 E438K430-Y434 PolarHBondContact O-N 2.59Å; Q431-Y434 PolarHBondContact O-N 2.9Å; H432-Y434 PolarHBondContact O-N 3.08Å; Y434-I436 VanDerWaalsContact C-N 3.34Å; Y434-I436 PolarHBondContact O-N 2.9Å; Y434-K437 PolarHBondContact O-N 3.45Å; Y434-E438 PolarHBondContact O-N 2.58Å
435N75.2Confident71.4Confident81 Ų81104.4 Ų104.443%0.43351%0.51SS..Hα-helixtrans-63.1-37.6178.6-68.6-9.9000112.5Q431 H432 F439Q431-N435 VanDerWaalsContact O-CG 3.25Å; Q431-N435 PolarHBondContact O-N 3.01Å; Q431-N435 PolarHBondContact O-OD1 3.01Å; H432-N435 PolarHBondContact O-N 2.99Å; N435-F439 WeakPolarHBondContact O-CB 3.41Å; N435-F439 PolarHBondContact O-N 2.65Å
436I76.4Confident72.6Confident101 Ų101107.6 Ų107.652%0.51852%0.519SS..Hα-helixtrans-66.2-43175.1-69.6165.2000110.5H432 S433 Y434 E438 F439 L440H432-I436 WeakPolarHBondContact O-CB 3.4Å; H432-I436 WeakPolarHBondContact O-CD1 3.36Å; H432-I436 VanDerWaalsContact O-CG1 3.24Å; H432-I436 WeakPolarHBondContact O-CG1 3.41Å; H432-I436 PolarHBondContact O-N 2.91Å; S433-I436 PolarHBondContact O-N 3.11Å; Y434-I436 VanDerWaalsContact C-N 3.34Å; Y434-I436 PolarHBondContact O-N 2.9Å; I436-E438 PolarHBondContact O-N 3.2Å; I436-F439 PolarHBondContact O-N 2.91Å; I436-L440 HydrophobicContact CG2-CD1 3.88Å; I436-L440 HydrophobicContact CG2-CG 4.29Å; I436-L440 WeakPolarHBondContact O-CB 3.49Å; I436-L440 VanDerWaalsContact O-CG 3.29Å; I436-L440 WeakPolarHBondContact O-CG 3.43Å; I436-L440 PolarHBondContact O-N 3.4Å
437K76.9Confident73.6Confident131 Ų131108.4 Ų108.457%0.5752%0.52SS*.Hα-helixtrans-61.7-43.2177.2-173.5176.8179.8179.90111.7S433 Y434 L440 Q441S433-K437 WeakPolarHBondContact O-CB 3.45Å; S433-K437 PolarHBondContact O-N 2.76Å; Y434-K437 PolarHBondContact O-N 3.45Å; K437-L440 PolarHBondContact O-N 3.12Å; K437-Q441 WeakPolarHBondContact O-CB 3.4Å; K437-Q441 VanDerWaalsContact O-CG 3.31Å; K437-Q441 WeakPolarHBondContact O-CG 3.24Å; K437-Q441 PolarHBondContact O-N 2.99Å
438E75.4Confident74.4Confident90 Ų90105.5 Ų105.542%0.42150%0.504SS..Hα-helixtrans-64.7-42.1176.1-170.8180172.400111.8Y434 I436 Q441 N442Y434-E438 PolarHBondContact O-N 2.58Å; I436-E438 PolarHBondContact O-N 3.2Å; E438-Q441 PolarHBondContact O-N 3.34Å; E438-N442 WeakPolarHBondContact O-CB 3.38Å; E438-N442 PolarHBondContact O-N 2.82Å; E438-N442 PolarHBondContact O-ND2 3.12Å
439F79.1Confident75.2Confident136 Ų136106.8 Ų106.860%0.59651%0.51SS*.Hα-helixtrans-64.3-42.3175.9-172.3-105.7000112.5N435 I436 N442 I443N435-F439 WeakPolarHBondContact O-CB 3.41Å; N435-F439 PolarHBondContact O-N 2.65Å; I436-F439 PolarHBondContact O-N 2.91Å; F439-N442 PolarHBondContact O-N 2.81Å; F439-I443 HydrophobicContact CD1-CD1 3.68Å; F439-I443 HydrophobicContact CD1-CG1 4.46Å; F439-I443 HydrophobicContact CE1-CD1 3.23Å; F439-I443 HydrophobicContact CE1-CG1 4.2Å; F439-I443 HydrophobicContact CZ-CD1 3.74Å; F439-I443 HydrophobicContact CZ-CG1 4.39Å; F439-I443 WeakPolarHBondContact O-CG1 2.84Å; F439-I443 PolarHBondContact O-N 3.08Å
440L78.3Confident75.9Confident104 Ų104106.3 Ų106.355%0.54551%0.507SS..Hα-helixtrans-63.9-41.1174.9-73.5172.4000112I436 K437 N442 I443 N444I436-L440 HydrophobicContact CG2-CD1 3.88Å; I436-L440 HydrophobicContact CG2-CG 4.29Å; I436-L440 WeakPolarHBondContact O-CB 3.49Å; I436-L440 VanDerWaalsContact O-CG 3.29Å; I436-L440 WeakPolarHBondContact O-CG 3.43Å; I436-L440 PolarHBondContact O-N 3.4Å; K437-L440 PolarHBondContact O-N 3.12Å; L440-N442 VanDerWaalsContact C-N 3.34Å; L440-I443 PolarHBondContact O-N 3.35Å; L440-N444 WeakPolarHBondContact O-CB 2.85Å; L440-N444 PolarHBondContact O-N 3.03Å
441Q80.9Confident76.5Confident112 Ų112105.5 Ų105.552%0.52351%0.506SS..Hα-helixtrans-61.1-43.2173.3-77.2177.3-21.200111.4K437 E438 N444 M445K437-Q441 WeakPolarHBondContact O-CB 3.4Å; K437-Q441 VanDerWaalsContact O-CG 3.31Å; K437-Q441 WeakPolarHBondContact O-CG 3.24Å; K437-Q441 PolarHBondContact O-N 2.99Å; E438-Q441 PolarHBondContact O-N 3.34Å; Q441-N444 PolarHBondContact O-N 2.91Å; Q441-M445 WeakPolarHBondContact O-CB 3.31Å; Q441-M445 VanDerWaalsContact O-CG 3.27Å; Q441-M445 WeakPolarHBondContact O-CG 3.43Å; Q441-M445 PolarHBondContact O-N 3.2Å
442N79.7Confident76.9Confident88 Ų88104.4 Ų104.447%0.47150%0.497SS..Hα-helixtrans-64.9-38.7176.8-79.5-33.5000113.1E438 F439 L440 K446E438-N442 WeakPolarHBondContact O-CB 3.38Å; E438-N442 PolarHBondContact O-N 2.82Å; E438-N442 PolarHBondContact O-ND2 3.12Å; F439-N442 PolarHBondContact O-N 2.81Å; L440-N442 VanDerWaalsContact C-N 3.34Å; N442-K446 WeakPolarHBondContact O-CB 3.27Å; N442-K446 WeakPolarHBondContact O-CG 3.48Å; N442-K446 PolarHBondContact O-N 3.42Å
443I79.7Confident77.4Confident64 Ų64103.7 Ų103.733%0.32849%0.492SS..Hα-helixtrans-66.2-47.2174-72.1175.1000110.9F439 L440 M445 K446 Q447F439-I443 HydrophobicContact CD1-CD1 3.68Å; F439-I443 HydrophobicContact CD1-CG1 4.46Å; F439-I443 HydrophobicContact CE1-CD1 3.23Å; F439-I443 HydrophobicContact CE1-CG1 4.2Å; F439-I443 HydrophobicContact CZ-CD1 3.74Å; F439-I443 HydrophobicContact CZ-CG1 4.39Å; F439-I443 WeakPolarHBondContact O-CG1 2.84Å; F439-I443 PolarHBondContact O-N 3.08Å; L440-I443 PolarHBondContact O-N 3.35Å; I443-M445 VanDerWaalsContact C-N 3.33Å; I443-M445 PolarHBondContact O-N 2.89Å; I443-K446 WeakPolarHBondContact O-CB 3.15Å; I443-K446 PolarHBondContact O-N 3.34Å; I443-K446 VanDerWaalsContact O-N 3.13Å; I443-Q447 HydrophobicContact CG2-CG 4.48Å; I443-Q447 PolarHBondContact O-N 3.08Å
444N80.9Confident77.7Confident73 Ų73104.5 Ų104.539%0.3949%0.49SS..Hα-helixtrans-60.8-43.9179-1683.7000110.8L440 Q441 K446 Q447 I448L440-N444 WeakPolarHBondContact O-CB 2.85Å; L440-N444 PolarHBondContact O-N 3.03Å; Q441-N444 PolarHBondContact O-N 2.91Å; N444-K446 VanDerWaalsContact C-N 3.33Å; N444-K446 PolarHBondContact O-N 3.18Å; N444-Q447 PolarHBondContact O-N 3.11Å; N444-I448 VanDerWaalsContact O-CG1 3.28Å; N444-I448 WeakPolarHBondContact O-CG1 3.33Å; N444-I448 PolarHBondContact O-N 3.18Å; N444-I448 WeakPolarHBondContact OD1-CD1 3.29Å
445M78.8Confident78Confident57 Ų5798.6 Ų98.628%0.28147%0.471SS..Hα-helixtrans-63.6-35.7174.9-72.4-59.3-72.300113E370 Q441 I443 I448 K449E370-M445 HydrophobicContact CG-CE 4.41Å; Q441-M445 WeakPolarHBondContact O-CB 3.31Å; Q441-M445 VanDerWaalsContact O-CG 3.27Å; Q441-M445 WeakPolarHBondContact O-CG 3.43Å; Q441-M445 PolarHBondContact O-N 3.2Å; I443-M445 VanDerWaalsContact C-N 3.33Å; I443-M445 PolarHBondContact O-N 2.89Å; M445-I448 HydrophobicContact SD-CD1 4.39Å; M445-K449 WeakPolarHBondContact O-CB 3.33Å; M445-K449 VanDerWaalsContact O-CG 3.3Å; M445-K449 WeakPolarHBondContact O-CG 3.28Å; M445-K449 PolarHBondContact O-N 2.86Å
446K79.4Confident78Confident158 Ų15894.9 Ų94.969%0.68745%0.452SS*.Hα-helixtrans-66.9-42.4172.3-78.8178.3-179.4179.30111.8N442 I443 N444 K449 L450N442-K446 WeakPolarHBondContact O-CB 3.27Å; N442-K446 WeakPolarHBondContact O-CG 3.48Å; N442-K446 PolarHBondContact O-N 3.42Å; I443-K446 WeakPolarHBondContact O-CB 3.15Å; I443-K446 PolarHBondContact O-N 3.34Å; I443-K446 VanDerWaalsContact O-N 3.13Å; N444-K446 VanDerWaalsContact C-N 3.33Å; N444-K446 PolarHBondContact O-N 3.18Å; K446-K449 PolarHBondContact O-N 3.38Å; K446-L450 WeakPolarHBondContact O-CB 3.1Å; K446-L450 PolarHBondContact O-N 2.72Å
447Q78.6Confident78.1Confident111 Ų11190.3 Ų90.352%0.51943%0.43SS..Hα-helixtrans-61.6-48.1175.7-77.2177.4-42.100111.2I443 N444 K449 L450 E451I443-Q447 HydrophobicContact CG2-CG 4.48Å; I443-Q447 PolarHBondContact O-N 3.08Å; N444-Q447 PolarHBondContact O-N 3.11Å; Q447-K449 PolarHBondContact O-N 3.08Å; Q447-L450 WeakPolarHBondContact O-CB 3.45Å; Q447-L450 PolarHBondContact O-N 3.3Å; Q447-L450 VanDerWaalsContact O-N 3.13Å; Q447-E451 WeakPolarHBondContact O-CB 3.49Å; Q447-E451 WeakPolarHBondContact O-CG 3.35Å; Q447-E451 PolarHBondContact O-N 2.89Å
448I78.4Confident78.1Confident35 Ų3586.6 Ų86.618%0.17942%0.418CS..Hα-helixtrans-60.6-42.9177.5-66.8165.1000111.4P369 N444 M445 L450 E451 Y452P369-I448 HydrophobicContact CB-CG2 3.72Å; N444-I448 VanDerWaalsContact O-CG1 3.28Å; N444-I448 WeakPolarHBondContact O-CG1 3.33Å; N444-I448 PolarHBondContact O-N 3.18Å; N444-I448 WeakPolarHBondContact OD1-CD1 3.29Å; M445-I448 HydrophobicContact SD-CD1 4.39Å; I448-L450 VanDerWaalsContact C-N 3.34Å; I448-L450 PolarHBondContact O-N 3.47Å; I448-E451 PolarHBondContact O-N 3.2Å; I448-Y452 VanDerWaalsContact O-CB 3.3Å; I448-Y452 WeakPolarHBondContact O-CB 3.33Å; I448-Y452 PolarHBondContact O-N 2.85Å
449K79.1Confident78.3Confident145 Ų14582.6 Ų82.663%0.6340%0.399SS*.Hα-helixtrans-63.6-39.6175.7-77.4177-179.5178.40112M445 K446 Q447 K453M445-K449 WeakPolarHBondContact O-CB 3.33Å; M445-K449 VanDerWaalsContact O-CG 3.3Å; M445-K449 WeakPolarHBondContact O-CG 3.28Å; M445-K449 PolarHBondContact O-N 2.86Å; K446-K449 PolarHBondContact O-N 3.38Å; Q447-K449 PolarHBondContact O-N 3.08Å; K449-K453 WeakPolarHBondContact O-CB 3.44Å; K449-K453 PolarHBondContact O-N 2.87Å
450L78.4Confident78.4Confident108 Ų10876.9 Ų76.957%0.56537%0.374SS*.Hα-helixtrans-67.7-45177.3-163.986.3000111.3K446 Q447 I448 Y452 K453 N454K446-L450 WeakPolarHBondContact O-CB 3.1Å; K446-L450 PolarHBondContact O-N 2.72Å; Q447-L450 WeakPolarHBondContact O-CB 3.45Å; Q447-L450 PolarHBondContact O-N 3.3Å; Q447-L450 VanDerWaalsContact O-N 3.13Å; I448-L450 VanDerWaalsContact C-N 3.34Å; I448-L450 PolarHBondContact O-N 3.47Å; L450-Y452 VanDerWaalsContact C-N 3.34Å; L450-Y452 PolarHBondContact O-N 3.26Å; L450-K453 PolarHBondContact O-N 2.86Å; L450-N454 WeakPolarHBondContact O-CB 3.13Å; L450-N454 VanDerWaalsContact O-CG 3.23Å; L450-N454 PolarHBondContact O-N 2.81Å; L450-N454 PolarHBondContact O-ND2 2.84Å
451E78.3Confident78.6Confident135 Ų13578.3 Ų78.363%0.63137%0.372SS*.Hα-helixtrans-60.6-43.1174.8-75.2-177.9179.700111.6Q447 I448 N454 S455Q447-E451 WeakPolarHBondContact O-CB 3.49Å; Q447-E451 WeakPolarHBondContact O-CG 3.35Å; Q447-E451 PolarHBondContact O-N 2.89Å; I448-E451 PolarHBondContact O-N 3.2Å; E451-N454 PolarHBondContact O-N 3.03Å; E451-S455 WeakPolarHBondContact O-CB 3.13Å; E451-S455 PolarHBondContact O-N 2.89Å
452Y74.8Confident78.5Confident111 Ų11173.6 Ų73.644%0.43535%0.35SS..Hα-helixtrans-62.5-46.5175.3-176.6-106.2000111.4I448 L450 N454 S455 L456I448-Y452 VanDerWaalsContact O-CB 3.3Å; I448-Y452 WeakPolarHBondContact O-CB 3.33Å; I448-Y452 PolarHBondContact O-N 2.85Å; L450-Y452 VanDerWaalsContact C-N 3.34Å; L450-Y452 PolarHBondContact O-N 3.26Å; Y452-N454 PolarHBondContact O-N 3.48Å; Y452-S455 PolarHBondContact O-N 2.93Å; Y452-S455 PolarHBondContact O-OG 2.95Å; Y452-L456 HydrophobicContact CD1-CD1 3.99Å; Y452-L456 HydrophobicContact CD1-CG 4.49Å; Y452-L456 HydrophobicContact CE1-CD1 3.47Å; Y452-L456 VanDerWaalsContact CE1-CD1 3.47Å; Y452-L456 HydrophobicContact CE1-CG 4.13Å; Y452-L456 WeakPolarHBondContact O-CG 3.31Å; Y452-L456 PolarHBondContact O-N 3.49Å
453K76.4Confident78.7Confident104 Ų10469.5 Ų69.545%0.45233%0.328SS..Hα-helixtrans-60.6-43.6175.8-173.7179.3178.4-178.90112N331 K449 L450 S455 L456 G457N331-K453 WeakPolarHBondContact O-CE 3.32Å; N331-K453 PolarHBondContact O-NZ 3.02Å; K449-K453 WeakPolarHBondContact O-CB 3.44Å; K449-K453 PolarHBondContact O-N 2.87Å; L450-K453 PolarHBondContact O-N 2.86Å; K453-S455 VanDerWaalsContact C-N 3.33Å; K453-S455 PolarHBondContact O-N 2.77Å; K453-L456 PolarHBondContact O-N 2.97Å; K453-G457 PolarHBondContact O-N 3.09Å
454N78.1Confident78.9Confident95 Ų9566.4 Ų66.451%0.50831%0.313SS..Hα-helixtrans-63.1-40.4175.7-72.3-14.4000111.3L450 E451 Y452 G457 T458L450-N454 WeakPolarHBondContact O-CB 3.13Å; L450-N454 VanDerWaalsContact O-CG 3.23Å; L450-N454 PolarHBondContact O-N 2.81Å; L450-N454 PolarHBondContact O-ND2 2.84Å; E451-N454 PolarHBondContact O-N 3.03Å; Y452-N454 PolarHBondContact O-N 3.48Å; N454-G457 PolarHBondContact O-N 3.02Å; N454-T458 WeakPolarHBondContact O-CG2 3.49Å; N454-T458 PolarHBondContact O-N 2.74Å
455S74.6Confident79Confident31 Ų3166.4 Ų66.422%0.21731%0.312CS..Hα-helixtrans-62.7-43.7176.6800000111.6E451 Y452 K453 G457 T458 E459E451-S455 WeakPolarHBondContact O-CB 3.13Å; E451-S455 PolarHBondContact O-N 2.89Å; Y452-S455 PolarHBondContact O-N 2.93Å; Y452-S455 PolarHBondContact O-OG 2.95Å; K453-S455 VanDerWaalsContact C-N 3.33Å; K453-S455 PolarHBondContact O-N 2.77Å; S455-G457 PolarHBondContact O-N 3.15Å; S455-T458 WeakPolarHBondContact CA-OG1 3.41Å; S455-T458 PolarHBondContact O-N 2.86Å; S455-T458 PolarHBondContact O-OG1 2.93Å; S455-E459 WeakPolarHBondContact O-CG 3.39Å; S455-E459 PolarHBondContact O-N 3.5Å
456L76Confident79.2Confident3 Ų363.8 Ų63.82%0.01630%0.299CS..Hα-helixtrans-61-45.7174.4-70.5178.7000111.1G333 A335 Y452 K453 T458 E459 W460G333-L456 VanDerWaalsContact O-CD1 3.28Å; G333-L456 WeakPolarHBondContact O-CD1 3.33Å; A335-L456 HydrophobicContact CB-CD2 4.37Å; Y452-L456 HydrophobicContact CD1-CD1 3.99Å; Y452-L456 HydrophobicContact CD1-CG 4.49Å; Y452-L456 HydrophobicContact CE1-CD1 3.47Å; Y452-L456 VanDerWaalsContact CE1-CD1 3.47Å; Y452-L456 HydrophobicContact CE1-CG 4.13Å; Y452-L456 WeakPolarHBondContact O-CG 3.31Å; Y452-L456 PolarHBondContact O-N 3.49Å; K453-L456 PolarHBondContact O-N 2.97Å; L456-T458 VanDerWaalsContact C-N 3.3Å; L456-T458 PolarHBondContact O-N 2.91Å; L456-E459 PolarHBondContact O-N 2.86Å; L456-E459 VanDerWaalsContact O-N 3.12Å; L456-W460 VanDerWaalsContact O-CD1 3.23Å; L456-W460 PolarHBondContact O-N 2.96Å; L456-W460 VanDerWaalsContact O-N 3.14Å
457G78.3Confident79.5Confident6 Ų656.8 Ų56.86%0.06227%0.269CS..Hα-helixtrans-54.6-44.9173.700000112.3K453 N454 S455 E459 W460 R461K453-G457 PolarHBondContact O-N 3.09Å; N454-G457 PolarHBondContact O-N 3.02Å; S455-G457 PolarHBondContact O-N 3.15Å; G457-E459 PolarHBondContact O-N 2.7Å; G457-W460 PolarHBondContact O-N 2.9Å; G457-R461 VanDerWaalsContact O-CG 3.29Å; G457-R461 WeakPolarHBondContact O-CG 3.38Å; G457-R461 PolarHBondContact O-N 3.12Å
458T77.9Confident79.9Confident53 Ų5351.6 Ų51.633%0.32525%0.245SC..Hα-helixtrans-63.8-36.7176.960.10000113.3N454 S455 L456 W460 R461 I462N454-T458 WeakPolarHBondContact O-CG2 3.49Å; N454-T458 PolarHBondContact O-N 2.74Å; S455-T458 WeakPolarHBondContact CA-OG1 3.41Å; S455-T458 PolarHBondContact O-N 2.86Å; S455-T458 PolarHBondContact O-OG1 2.93Å; L456-T458 VanDerWaalsContact C-N 3.3Å; L456-T458 PolarHBondContact O-N 2.91Å; T458-W460 PolarHBondContact O-N 3.45Å; T458-R461 WeakPolarHBondContact O-CB 3.41Å; T458-R461 PolarHBondContact O-N 3.28Å; T458-I462 VanDerWaalsContact O-CG1 3.31Å; T458-I462 WeakPolarHBondContact O-CG1 3.26Å; T458-I462 PolarHBondContact O-N 2.77Å
459E79Confident80.3Confident5 Ų555.3 Ų55.32%0.02326%0.257CS..Hα-helixtrans-63.3-42.5175.7-62.5-158.3134.800111.6I336 L360 R366 S455 L456 G457 I462 L463I336-E459 HydrophobicContact CD1-CB 3.49Å; I336-E459 VanDerWaalsContact CD1-CB 3.49Å; I336-E459 HydrophobicContact CG1-CB 4.44Å; L360-E459 HydrophobicContact CD2-CG 3.75Å; R366-E459 IonicContact CZ-OE1 3.43Å; R366-E459 IonicContact CZ-OE2 3.91Å; R366-E459 IonicContact NH1-OE1 3.35Å; R366-E459 PolarHBondContact NH1-OE1 3.37Å; R366-E459 IonicContact NH1-OE2 3.2Å; R366-E459 PolarHBondContact NH1-OE2 3.39Å; R366-E459 IonicContact NH2-OE1 2.64Å; R366-E459 PolarHBondContact NH2-OE1 3.27Å; R366-E459 IonicContact NH2-OE2 3.8Å; S455-E459 WeakPolarHBondContact O-CG 3.39Å; S455-E459 PolarHBondContact O-N 3.5Å; L456-E459 PolarHBondContact O-N 2.86Å; L456-E459 VanDerWaalsContact O-N 3.12Å; G457-E459 PolarHBondContact O-N 2.7Å; E459-I462 PolarHBondContact O-N 3.1Å; E459-L463 WeakPolarHBondContact O-CB 3.28Å; E459-L463 PolarHBondContact O-N 2.64Å
460W82.1Confident80.6Confident17 Ų1750.8 Ų50.86%0.06424%0.239CC..Hα-helixtrans-67.5-35.3176.4-77.998.8000112.5L326 R334 I336 L456 G457 T458 L463 A464L326-W460 HydrophobicContact CB-CE3 4.4Å; L326-W460 HydrophobicContact CB-CZ3 4.44Å; L326-W460 HydrophobicContact CD2-CZ3 3.97Å; R334-W460 PolarHBondContact O-NE1 3.45Å; I336-W460 HydrophobicContact CD1-CD2 4.29Å; I336-W460 HydrophobicContact CD1-CG 4.25Å; I336-W460 HydrophobicContact CG1-CD2 3.86Å; I336-W460 HydrophobicContact CG1-CG 4.1Å; I336-W460 HydrophobicContact CG1-CZ2 3.91Å; L456-W460 VanDerWaalsContact O-CD1 3.23Å; L456-W460 PolarHBondContact O-N 2.96Å; L456-W460 VanDerWaalsContact O-N 3.14Å; G457-W460 PolarHBondContact O-N 2.9Å; T458-W460 PolarHBondContact O-N 3.45Å; W460-L463 HydrophobicContact CE3-CD2 3.74Å; W460-L463 HydrophobicContact CZ3-CD2 3.78Å; W460-L463 WeakPolarHBondContact O-CB 3.47Å; W460-L463 PolarHBondContact O-N 2.84Å; W460-A464 WeakPolarHBondContact O-CB 3.4Å; W460-A464 PolarHBondContact O-N 3.29Å
461R80.7Confident81.1Confident134 Ų13448.1 Ų48.151%0.50622%0.223SC..Hα-helixtrans-61.6-45.6173-71.4179.665.1175.62.6111.7F327 G457 T458 L463 A464 L465F327-R461 HydrophobicContact CD2-CG 3.81Å; F327-R461 HydrophobicContact CE2-CG 3.5Å; F327-R461 HydrophobicContact CZ-CG 4.43Å; G457-R461 VanDerWaalsContact O-CG 3.29Å; G457-R461 WeakPolarHBondContact O-CG 3.38Å; G457-R461 PolarHBondContact O-N 3.12Å; T458-R461 WeakPolarHBondContact O-CB 3.41Å; T458-R461 PolarHBondContact O-N 3.28Å; R461-L463 VanDerWaalsContact C-N 3.33Å; R461-A464 PolarHBondContact O-N 3.21Å; R461-L465 WeakPolarHBondContact O-CG 3.45Å; R461-L465 PolarHBondContact O-N 2.82Å
462I79.3Confident81.7Confident12 Ų1243.4 Ų43.46%0.06220%0.201CC..Hα-helixtrans-62.1-44.9175.7-68.1165.3000110I354 I358 L360 T458 E459 A464 L465 I466I354-I462 HydrophobicContact CG2-CG2 4.44Å; I358-I462 HydrophobicContact CB-CD1 3.97Å; I358-I462 HydrophobicContact CD1-CD1 3.84Å; I358-I462 HydrophobicContact CD1-CG1 3.74Å; I358-I462 HydrophobicContact CG1-CD1 4.47Å; I358-I462 HydrophobicContact CG2-CD1 4Å; L360-I462 HydrophobicContact CD2-CD1 4.11Å; T458-I462 VanDerWaalsContact O-CG1 3.31Å; T458-I462 WeakPolarHBondContact O-CG1 3.26Å; T458-I462 PolarHBondContact O-N 2.77Å; E459-I462 PolarHBondContact O-N 3.1Å; I462-A464 PolarHBondContact O-N 3.02Å; I462-L465 PolarHBondContact O-N 2.81Å; I462-I466 HydrophobicContact CG2-CD1 3.7Å; I462-I466 HydrophobicContact CG2-CG1 4.31Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.18Å; I462-I466 PolarHBondContact O-N 2.83Å
463L83.8Confident82.3Confident2 Ų242.4 Ų42.41%0.0120%0.202CC..Hα-helixtrans-58.1-48.9177.8-177.770.1000111.7I336 I340 I344 I345 E459 W460 R461 L465 I466 I467I336-L463 HydrophobicContact CD1-CB 4.49Å; I336-L463 HydrophobicContact CD1-CD2 4.41Å; I340-L463 HydrophobicContact CG2-CD1 3.57Å; I340-L463 HydrophobicContact CG2-CD2 3.68Å; I340-L463 HydrophobicContact CG2-CG 4.3Å; I344-L463 HydrophobicContact CB-CD1 3.7Å; I344-L463 HydrophobicContact CD1-CD1 4.04Å; I344-L463 HydrophobicContact CG1-CD1 4.4Å; I344-L463 HydrophobicContact CG2-CD1 3.46Å; I344-L463 VanDerWaalsContact CG2-CD1 3.46Å; I345-L463 HydrophobicContact CG1-CD1 4.26Å; E459-L463 WeakPolarHBondContact O-CB 3.28Å; E459-L463 PolarHBondContact O-N 2.64Å; W460-L463 HydrophobicContact CE3-CD2 3.74Å; W460-L463 HydrophobicContact CZ3-CD2 3.78Å; W460-L463 WeakPolarHBondContact O-CB 3.47Å; W460-L463 PolarHBondContact O-N 2.84Å; R461-L463 VanDerWaalsContact C-N 3.33Å; L463-L465 VanDerWaalsContact C-N 3.33Å; L463-L465 PolarHBondContact O-N 2.85Å; L463-I466 PolarHBondContact O-N 2.79Å; L463-I467 HydrophobicContact CD1-CD1 4.23Å; L463-I467 HydrophobicContact CG-CD1 3.94Å; L463-I467 VanDerWaalsContact O-CG1 3.29Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.4Å
464A84.2Confident82.9Confident0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-57.6-44.6177.700000111.7P265 V323 W460 R461 I462 I467 D468P265-A464 HydrophobicContact CG-CB 4.3Å; V323-A464 HydrophobicContact CG1-CB 3.76Å; W460-A464 WeakPolarHBondContact O-CB 3.4Å; W460-A464 PolarHBondContact O-N 3.29Å; R461-A464 PolarHBondContact O-N 3.21Å; I462-A464 PolarHBondContact O-N 3.02Å; A464-I467 PolarHBondContact O-N 3.3Å; A464-D468 WeakPolarHBondContact O-CB 3.31Å; A464-D468 PolarHBondContact O-N 3.44Å
465L82.5Confident83.5Confident72 Ų7237.1 Ų37.138%0.37718%0.177SC..Hα-helixtrans-65.6-40.1177.2-71169.5000113.1R461 I462 L463 I467 D468 R469R461-L465 WeakPolarHBondContact O-CG 3.45Å; R461-L465 PolarHBondContact O-N 2.82Å; I462-L465 PolarHBondContact O-N 2.81Å; L463-L465 VanDerWaalsContact C-N 3.33Å; L463-L465 PolarHBondContact O-N 2.85Å; L465-I467 VanDerWaalsContact C-N 3.34Å; L465-D468 PolarHBondContact O-N 2.98Å; L465-R469 WeakPolarHBondContact O-CG 3.49Å; L465-R469 PolarHBondContact O-N 2.96Å
466I83.7Confident84.3Confident2 Ų238.5 Ų38.51%0.0118%0.182CC..Hα-helixtrans-63-44.1176.4-69.1168.3000110.3I344 I345 L348 L352 I354 I462 L463 R469 L470I344-I466 HydrophobicContact CG2-CB 4.13Å; I344-I466 HydrophobicContact CG2-CG2 3.49Å; I344-I466 VanDerWaalsContact CG2-CG2 3.49Å; I345-I466 HydrophobicContact CG1-CD1 4.29Å; L348-I466 HydrophobicContact CB-CG2 3.92Å; L352-I466 HydrophobicContact CD1-CG2 3.92Å; I354-I466 HydrophobicContact CB-CG1 4.44Å; I354-I466 HydrophobicContact CD1-CB 4.31Å; I354-I466 HydrophobicContact CD1-CG1 3.58Å; I354-I466 HydrophobicContact CG2-CG1 4.44Å; I462-I466 HydrophobicContact CG2-CD1 3.7Å; I462-I466 HydrophobicContact CG2-CG1 4.31Å; I462-I466 VanDerWaalsContact O-CG1 3.29Å; I462-I466 WeakPolarHBondContact O-CG1 3.18Å; I462-I466 PolarHBondContact O-N 2.83Å; L463-I466 PolarHBondContact O-N 2.79Å; I466-R469 PolarHBondContact O-N 3.11Å; I466-L470 PolarHBondContact O-N 2.77Å
467I85.2Confident85Confident11 Ų1144.7 Ų44.76%0.05621%0.209CC..Hα-helixtrans-63.1-45.3178.3-69.5172.4000110.4W322 V323 L326 I344 L463 A464 L465 R469 L470 F471W322-I467 HydrophobicContact CE3-CG2 4.33Å; W322-I467 HydrophobicContact CH2-CD1 4.48Å; W322-I467 HydrophobicContact CZ3-CG2 3.91Å; V323-I467 HydrophobicContact CG2-CG2 3.83Å; L326-I467 HydrophobicContact CD1-CD1 3.63Å; I344-I467 HydrophobicContact CD1-CD1 4.36Å; I344-I467 HydrophobicContact CD1-CG1 4.4Å; I344-I467 HydrophobicContact CG2-CG1 4.36Å; L463-I467 HydrophobicContact CD1-CD1 4.23Å; L463-I467 HydrophobicContact CG-CD1 3.94Å; L463-I467 VanDerWaalsContact O-CG1 3.29Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.4Å; A464-I467 PolarHBondContact O-N 3.3Å; L465-I467 VanDerWaalsContact C-N 3.34Å; I467-R469 VanDerWaalsContact C-N 3.35Å; I467-R469 PolarHBondContact O-N 2.81Å; I467-L470 PolarHBondContact O-N 2.88Å; I467-F471 HydrophobicContact CG2-CD2 3.57Å; I467-F471 HydrophobicContact CG2-CE2 3.35Å; I467-F471 WeakPolarHBondContact O-CD2 3.46Å; I467-F471 PolarHBondContact O-N 2.99Å
468D87.1Confident85.6Confident3 Ų346.2 Ų46.22%0.01622%0.217CC..Hα-helixtrans-59.8-43.6178.1-14532.8000111.8K270 A464 L465 F471 F472K270-D468 IonicContact NZ-OD1 2.73Å; K270-D468 PolarHBondContact NZ-OD1 2.7Å; K270-D468 IonicContact NZ-OD2 3.27Å; K270-D468 PolarHBondContact NZ-OD2 3.26Å; A464-D468 WeakPolarHBondContact O-CB 3.31Å; A464-D468 PolarHBondContact O-N 3.44Å; L465-D468 PolarHBondContact O-N 2.98Å; D468-F471 PolarHBondContact O-N 2.83Å; D468-F472 WeakPolarHBondContact O-CB 3.08Å; D468-F472 PolarHBondContact O-N 2.71Å
469R85.7Confident86.1Confident113 Ų11344.7 Ų44.743%0.42621%0.207SC..Hα-helixtrans-66.1-36.3175.6-72.8-155.1-170.9179.7-7.1113.5L352 I354 L465 I466 I467 F472 I473L352-R469 HydrophobicContact CD1-CB 4.16Å; L352-R469 HydrophobicContact CD2-CB 4.3Å; L352-R469 PolarHBondContact O-NH1 2.99Å; I354-R469 HydrophobicContact CD1-CG 4.24Å; L465-R469 WeakPolarHBondContact O-CG 3.49Å; L465-R469 PolarHBondContact O-N 2.96Å; I466-R469 PolarHBondContact O-N 3.11Å; I467-R469 VanDerWaalsContact C-N 3.35Å; I467-R469 PolarHBondContact O-N 2.81Å; R469-F472 WeakPolarHBondContact O-CB 3.25Å; R469-F472 PolarHBondContact O-N 3.27Å; R469-I473 WeakPolarHBondContact O-CG1 3.35Å; R469-I473 PolarHBondContact O-N 2.78Å; R469-I473 VanDerWaalsContact O-N 3.16Å
470L87.2Confident86.6Confident50 Ų5049.2 Ų49.226%0.26223%0.23SC..Hα-helixtrans-62.8-47.5174.6172.6130.1000110.5L348 L352 I466 I467 F472 I473 I474L348-L470 HydrophobicContact CD1-CD1 3.89Å; L348-L470 HydrophobicContact CD2-CD1 3.33Å; L348-L470 HydrophobicContact CG-CD1 4.25Å; L352-L470 HydrophobicContact CD1-CB 4.49Å; I466-L470 PolarHBondContact O-N 2.77Å; I467-L470 PolarHBondContact O-N 2.88Å; L470-F472 VanDerWaalsContact C-N 3.31Å; L470-F472 PolarHBondContact O-N 2.82Å; L470-I473 PolarHBondContact O-N 3.4Å; L470-I474 HydrophobicContact CD2-CD1 3.7Å; L470-I474 HydrophobicContact CG-CD1 4.07Å; L470-I474 WeakPolarHBondContact O-CG1 3.42Å; L470-I474 PolarHBondContact O-N 3.17Å; L470-I474 VanDerWaalsContact O-N 3.12Å
471F88.3Confident87Confident51 Ų5152 Ų5222%0.22425%0.245CC..Hα-helixtrans-66.4-33.1177.8-73.5-64.4000112.9F261 V319 W322 I467 D468 I474 Y475F261-F471 HydrophobicContact CD1-CB 4.12Å; F261-F471 HydrophobicContact CE1-CB 3.73Å; V319-F471 HydrophobicContact CB-CD2 4.34Å; V319-F471 HydrophobicContact CB-CE2 4.38Å; V319-F471 HydrophobicContact CG1-CB 3.99Å; V319-F471 HydrophobicContact CG1-CD1 4.17Å; V319-F471 HydrophobicContact CG1-CD2 3.13Å; V319-F471 HydrophobicContact CG1-CE1 4.44Å; V319-F471 HydrophobicContact CG1-CE2 3.44Å; V319-F471 VanDerWaalsContact CG1-CE2 3.44Å; V319-F471 HydrophobicContact CG1-CG 3.52Å; V319-F471 HydrophobicContact CG1-CZ 4.11Å; V319-F471 HydrophobicContact CG2-CD1 4.04Å; V319-F471 HydrophobicContact CG2-CD2 4.28Å; V319-F471 HydrophobicContact CG2-CE1 3.84Å; V319-F471 HydrophobicContact CG2-CE2 4.04Å; V319-F471 HydrophobicContact CG2-CG 4.26Å; V319-F471 HydrophobicContact CG2-CZ 3.84Å; W322-F471 HydrophobicContact CE3-CE2 4.12Å; W322-F471 HydrophobicContact CE3-CZ 4.48Å; W322-F471 AromaticContact CZ3-CE2 3.85Å; W322-F471 HydrophobicContact CZ3-CE2 3.85Å; W322-F471 HydrophobicContact CZ3-CZ 4.1Å; I467-F471 HydrophobicContact CG2-CD2 3.57Å; I467-F471 HydrophobicContact CG2-CE2 3.35Å; I467-F471 WeakPolarHBondContact O-CD2 3.46Å; I467-F471 PolarHBondContact O-N 2.99Å; D468-F471 PolarHBondContact O-N 2.83Å; F471-I474 HydrophobicContact CD1-CD1 4.38Å; F471-I474 PolarHBondContact O-N 2.98Å; F471-Y475 WeakPolarHBondContact O-CB 3.36Å; F471-Y475 PolarHBondContact O-N 2.77Å
472F90Very high87.3Confident37 Ų3746.5 Ų46.516%0.16223%0.226CC..Hα-helixtrans-57.1-47.9170.7173.3-93.3000112.4L258 F261 W262 D468 R469 L470 Y475 L476L258-F472 HydrophobicContact CB-CE2 3.98Å; L258-F472 HydrophobicContact CD2-CD2 4.24Å; L258-F472 HydrophobicContact CD2-CE2 3.93Å; L258-F472 HydrophobicContact CG-CE2 4.48Å; F261-F472 HydrophobicContact CB-CB 3.76Å; F261-F472 HydrophobicContact CB-CD2 3.99Å; F261-F472 HydrophobicContact CB-CG 4.36Å; F261-F472 HydrophobicContact CD2-CB 4.4Å; F261-F472 HydrophobicContact CD2-CD2 4.3Å; F261-F472 HydrophobicContact CG-CB 4.08Å; W262-F472 HydrophobicContact CZ2-CZ 4.28Å; W262-F472 AromaticContact NE1-CE2 3.71Å; W262-F472 AromaticContact NE1-CZ 3.89Å; D468-F472 WeakPolarHBondContact O-CB 3.08Å; D468-F472 PolarHBondContact O-N 2.71Å; R469-F472 WeakPolarHBondContact O-CB 3.25Å; R469-F472 PolarHBondContact O-N 3.27Å; L470-F472 VanDerWaalsContact C-N 3.31Å; L470-F472 PolarHBondContact O-N 2.82Å; F472-Y475 PolarHBondContact O-N 2.91Å; F472-L476 HydrophobicContact CE1-CD2 4.29Å; F472-L476 WeakPolarHBondContact O-CB 3.44Å; F472-L476 PolarHBondContact O-N 3.31Å
473I87.7Confident87.5Confident90 Ų9047.5 Ų47.546%0.46224%0.236SC..Hα-helixtrans-64.6-43.6-179.9-66.4175.5000110.7L352 R469 L470 Y475 L476 F477L352-I473 HydrophobicContact CD2-CD1 3.4Å; L352-I473 VanDerWaalsContact CD2-CD1 3.4Å; R469-I473 WeakPolarHBondContact O-CG1 3.35Å; R469-I473 PolarHBondContact O-N 2.78Å; R469-I473 VanDerWaalsContact O-N 3.16Å; L470-I473 PolarHBondContact O-N 3.4Å; I473-Y475 VanDerWaalsContact C-N 3.34Å; I473-L476 PolarHBondContact O-N 2.83Å; I473-F477 WeakPolarHBondContact O-CB 3.23Å; I473-F477 PolarHBondContact O-N 3.46Å
474I89.4Confident87.6Confident83 Ų8349.2 Ų49.243%0.42625%0.254SS..Hα-helixtrans-60-48.5176.3-65.5168.5000109.7L470 F471 L476 F477 T478L470-I474 HydrophobicContact CD2-CD1 3.7Å; L470-I474 HydrophobicContact CG-CD1 4.07Å; L470-I474 WeakPolarHBondContact O-CG1 3.42Å; L470-I474 PolarHBondContact O-N 3.17Å; L470-I474 VanDerWaalsContact O-N 3.12Å; F471-I474 HydrophobicContact CD1-CD1 4.38Å; F471-I474 PolarHBondContact O-N 2.98Å; I474-L476 PolarHBondContact O-N 3.2Å; I474-F477 PolarHBondContact O-N 3.26Å; I474-T478 HydrophobicContact CG2-CG2 4.48Å; I474-T478 WeakPolarHBondContact O-CG2 3.29Å; I474-T478 PolarHBondContact O-N 2.81Å; I474-T478 PolarHBondContact O-OG1 2.89Å; I474-T478 VanDerWaalsContact O-OG1 3.08Å
475Y91.4Very high87.6Confident5 Ų553.6 Ų53.62%0.0228%0.276CS..Hα-helixtrans-59.6-47.4179.5-170.6-80000111.7S257 L258 F261 M312 F471 F472 I473 F477 T478 L479S257-Y475 VanDerWaalsContact CB-OH 3.31Å; S257-Y475 WeakPolarHBondContact CB-OH 3.12Å; S257-Y475 VanDerWaalsContact OG-CE1 3.26Å; S257-Y475 WeakPolarHBondContact OG-CE1 3.2Å; S257-Y475 VanDerWaalsContact OG-CZ 3.28Å; S257-Y475 PolarHBondContact OG-OH 3.36Å; L258-Y475 HydrophobicContact CD2-CD1 3.58Å; L258-Y475 HydrophobicContact CD2-CE1 4.05Å; F261-Y475 HydrophobicContact CE2-CD1 4.18Å; F261-Y475 AromaticContact CE2-CD2 3.67Å; F261-Y475 HydrophobicContact CE2-CD2 3.67Å; F261-Y475 HydrophobicContact CE2-CE2 4.32Å; F261-Y475 AromaticContact CE2-CG 3.6Å; F261-Y475 HydrophobicContact CE2-CG 3.6Å; F261-Y475 AromaticContact CZ-CD2 3.83Å; F261-Y475 HydrophobicContact CZ-CD2 3.83Å; F261-Y475 HydrophobicContact CZ-CG 4.09Å; M312-Y475 HydrophobicContact CB-CE2 3.74Å; M312-Y475 HydrophobicContact CE-CD2 3.34Å; M312-Y475 HydrophobicContact CE-CE2 3.71Å; M312-Y475 HydrophobicContact CE-CG 3.96Å; F471-Y475 WeakPolarHBondContact O-CB 3.36Å; F471-Y475 PolarHBondContact O-N 2.77Å; F472-Y475 PolarHBondContact O-N 2.91Å; I473-Y475 VanDerWaalsContact C-N 3.34Å; Y475-F477 PolarHBondContact O-N 2.85Å; Y475-T478 VanDerWaalsContact C-OG1 3.32Å; Y475-T478 VanDerWaalsContact CA-OG1 3.32Å; Y475-T478 WeakPolarHBondContact CA-OG1 3.39Å; Y475-T478 PolarHBondContact O-N 2.75Å; Y475-T478 PolarHBondContact O-OG1 2.9Å; Y475-L479 HydrophobicContact CE1-CD1 4.34Å; Y475-L479 WeakPolarHBondContact O-CB 3.34Å; Y475-L479 PolarHBondContact O-N 2.93Å
476L90.8Very high87.5Confident59 Ų5951.5 Ų51.531%0.30927%0.267SS..Hα-helixtrans-60.4-45.3178.6-178.665.2000111.8L258 F472 I473 I474 L479 I480L258-L476 HydrophobicContact CD1-CD1 3.98Å; L258-L476 HydrophobicContact CD2-CB 4.23Å; L258-L476 HydrophobicContact CD2-CD1 4.11Å; F472-L476 HydrophobicContact CE1-CD2 4.29Å; F472-L476 WeakPolarHBondContact O-CB 3.44Å; F472-L476 PolarHBondContact O-N 3.31Å; I473-L476 PolarHBondContact O-N 2.83Å; I474-L476 PolarHBondContact O-N 3.2Å; L476-L479 WeakPolarHBondContact O-CB 3.27Å; L476-L479 PolarHBondContact O-N 3.07Å; L476-I480 HydrophobicContact CD1-CD1 4.3Å; L476-I480 HydrophobicContact CG-CD1 4.09Å; L476-I480 VanDerWaalsContact O-CG1 3.32Å; L476-I480 WeakPolarHBondContact O-CG1 3.31Å; L476-I480 PolarHBondContact O-N 2.85Å
477F91.3Very high87.2Confident134 Ų13456.9 Ų56.959%0.58829%0.294SS*.Hα-helixtrans-64.8-42.6178.4-171.6-109.5000111.7I473 I474 Y475 L479 I480 I481I473-F477 WeakPolarHBondContact O-CB 3.23Å; I473-F477 PolarHBondContact O-N 3.46Å; I474-F477 PolarHBondContact O-N 3.26Å; Y475-F477 PolarHBondContact O-N 2.85Å; F477-L479 VanDerWaalsContact C-N 3.33Å; F477-L479 PolarHBondContact O-N 3.34Å; F477-I480 PolarHBondContact O-N 3.02Å; F477-I481 HydrophobicContact CD1-CD1 3.48Å; F477-I481 VanDerWaalsContact CD1-CD1 3.48Å; F477-I481 HydrophobicContact CD1-CG1 4.41Å; F477-I481 HydrophobicContact CE1-CD1 3.18Å; F477-I481 HydrophobicContact CE1-CG1 4.2Å; F477-I481 HydrophobicContact CE2-CD1 4.47Å; F477-I481 HydrophobicContact CG-CD1 4.27Å; F477-I481 HydrophobicContact CZ-CD1 3.74Å; F477-I481 HydrophobicContact CZ-CG1 4.35Å; F477-I481 WeakPolarHBondContact O-CG1 3.46Å; F477-I481 PolarHBondContact O-N 3.06Å
478T89.9Confident86.9Confident38 Ų3863.4 Ų63.423%0.23333%0.328CS..Hα-helixtrans-63.2-38.6174.652.90000112.2M312 I474 Y475 I481 I482M312-T478 HydrophobicContact CE-CG2 4.42Å; M312-T478 WeakPolarHBondContact CE-OG1 3.41Å; I474-T478 HydrophobicContact CG2-CG2 4.48Å; I474-T478 WeakPolarHBondContact O-CG2 3.29Å; I474-T478 PolarHBondContact O-N 2.81Å; I474-T478 PolarHBondContact O-OG1 2.89Å; I474-T478 VanDerWaalsContact O-OG1 3.08Å; Y475-T478 VanDerWaalsContact C-OG1 3.32Å; Y475-T478 VanDerWaalsContact CA-OG1 3.32Å; Y475-T478 WeakPolarHBondContact CA-OG1 3.39Å; Y475-T478 PolarHBondContact O-N 2.75Å; Y475-T478 PolarHBondContact O-OG1 2.9Å; T478-I481 PolarHBondContact O-N 2.96Å; T478-I482 WeakPolarHBondContact O-CB 3.35Å; T478-I482 WeakPolarHBondContact O-CD1 3.35Å; T478-I482 WeakPolarHBondContact O-CG1 3.17Å; T478-I482 PolarHBondContact O-N 3.46Å
479L88.8Confident86.4Confident20 Ų2068.8 Ų68.811%0.10535%0.351CS..Hα-helixtrans-62.4-45.7176.5-169.284.8000111.1Y475 L476 F477 I482 A483Y475-L479 HydrophobicContact CE1-CD1 4.34Å; Y475-L479 WeakPolarHBondContact O-CB 3.34Å; Y475-L479 PolarHBondContact O-N 2.93Å; L476-L479 WeakPolarHBondContact O-CB 3.27Å; L476-L479 PolarHBondContact O-N 3.07Å; F477-L479 VanDerWaalsContact C-N 3.33Å; F477-L479 PolarHBondContact O-N 3.34Å; L479-I482 PolarHBondContact O-N 3.27Å; L479-A483 WeakPolarHBondContact O-CB 3.35Å; L479-A483 PolarHBondContact O-N 3.4Å
480I89.2Confident85.5Confident101 Ų10164.5 Ų64.552%0.51834%0.338SS..Hα-helixtrans-63.6-43.1178-67.2165.8000110.9L476 F477 A483 G484L476-I480 HydrophobicContact CD1-CD1 4.3Å; L476-I480 HydrophobicContact CG-CD1 4.09Å; L476-I480 VanDerWaalsContact O-CG1 3.32Å; L476-I480 WeakPolarHBondContact O-CG1 3.31Å; L476-I480 PolarHBondContact O-N 2.85Å; F477-I480 PolarHBondContact O-N 3.02Å; I480-A483 PolarHBondContact O-N 3Å; I480-G484 PolarHBondContact O-N 2.91Å
481I90.1Very high84.1Confident74 Ų7467.2 Ų67.238%0.37935%0.353SS..Hα-helixtrans-61.5-49.1176.2-72167.6000110.5F477 T478 A483 G484 I485F477-I481 HydrophobicContact CD1-CD1 3.48Å; F477-I481 VanDerWaalsContact CD1-CD1 3.48Å; F477-I481 HydrophobicContact CD1-CG1 4.41Å; F477-I481 HydrophobicContact CE1-CD1 3.18Å; F477-I481 HydrophobicContact CE1-CG1 4.2Å; F477-I481 HydrophobicContact CE2-CD1 4.47Å; F477-I481 HydrophobicContact CG-CD1 4.27Å; F477-I481 HydrophobicContact CZ-CD1 3.74Å; F477-I481 HydrophobicContact CZ-CG1 4.35Å; F477-I481 WeakPolarHBondContact O-CG1 3.46Å; F477-I481 PolarHBondContact O-N 3.06Å; T478-I481 PolarHBondContact O-N 2.96Å; I481-A483 VanDerWaalsContact C-N 3.34Å; I481-A483 PolarHBondContact O-N 3.3Å; I481-G484 PolarHBondContact O-N 3.09Å; I481-I485 HydrophobicContact CG2-CD1 3.69Å; I481-I485 HydrophobicContact CG2-CG1 4.33Å; I481-I485 VanDerWaalsContact O-CG1 3.3Å; I481-I485 WeakPolarHBondContact O-CG1 3.32Å; I481-I485 PolarHBondContact O-N 3.16Å
482I87Confident82.6Confident20 Ų2068.3 Ų68.310%0.10336%0.36CS..Hα-helixtrans-61.3-46-178.7-68.7165.6000109.8F305 L308 M312 T478 L479 G484 I485 V486F305-I482 HydrophobicContact CD2-CG2 3.39Å; F305-I482 HydrophobicContact CE2-CG2 3.58Å; L308-I482 HydrophobicContact CB-CD1 4.22Å; L308-I482 HydrophobicContact CB-CG2 4.46Å; L308-I482 HydrophobicContact CD1-CG1 4.4Å; L308-I482 HydrophobicContact CD1-CG2 4.17Å; M312-I482 HydrophobicContact CG-CD1 4.17Å; T478-I482 WeakPolarHBondContact O-CB 3.35Å; T478-I482 WeakPolarHBondContact O-CD1 3.35Å; T478-I482 WeakPolarHBondContact O-CG1 3.17Å; T478-I482 PolarHBondContact O-N 3.46Å; L479-I482 PolarHBondContact O-N 3.27Å; I482-G484 PolarHBondContact O-N 2.81Å; I482-I485 PolarHBondContact O-N 2.85Å; I482-V486 WeakPolarHBondContact O-CG2 3.39Å; I482-V486 PolarHBondContact O-N 3.4Å; I482-V486 VanDerWaalsContact O-N 3.14Å
483A85.1Confident80.7Confident33 Ų3370.8 Ų70.827%0.27338%0.38SS..Hα-helixtrans-61.5-43.1175.900000112L479 I480 I481 I485 V486 I487L479-A483 WeakPolarHBondContact O-CB 3.35Å; L479-A483 PolarHBondContact O-N 3.4Å; I480-A483 PolarHBondContact O-N 3Å; I481-A483 VanDerWaalsContact C-N 3.34Å; I481-A483 PolarHBondContact O-N 3.3Å; A483-I485 PolarHBondContact O-N 2.84Å; A483-V486 PolarHBondContact O-N 3.38Å; A483-I487 VanDerWaalsContact O-CG1 3.28Å; A483-I487 WeakPolarHBondContact O-CG1 3.32Å; A483-I487 PolarHBondContact O-N 3.41Å
484G85.4Confident79Confident37 Ų3772.3 Ų72.338%0.38139%0.39SS..Hα-helixtrans-62.7-41177.400000113.3I480 I481 I482 V486 I487 L488I480-G484 PolarHBondContact O-N 2.91Å; I481-G484 PolarHBondContact O-N 3.09Å; I482-G484 PolarHBondContact O-N 2.81Å; G484-V486 VanDerWaalsContact C-N 3.33Å; G484-V486 PolarHBondContact O-N 3Å; G484-I487 PolarHBondContact O-N 2.83Å; G484-L488 VanDerWaalsContact O-CB 3.26Å; G484-L488 WeakPolarHBondContact O-CB 3.47Å; G484-L488 PolarHBondContact O-N 3.49Å
485I83.6Confident77.2Confident93 Ų9369.9 Ų69.948%0.47738%0.378SS..Hα-helixtrans-63-41.5175.6-69.3166.8000110.9I481 I482 A483 K489I481-I485 HydrophobicContact CG2-CD1 3.69Å; I481-I485 HydrophobicContact CG2-CG1 4.33Å; I481-I485 VanDerWaalsContact O-CG1 3.3Å; I481-I485 WeakPolarHBondContact O-CG1 3.32Å; I481-I485 PolarHBondContact O-N 3.16Å; I482-I485 PolarHBondContact O-N 2.85Å; A483-I485 PolarHBondContact O-N 2.84Å; I485-K489 WeakPolarHBondContact O-CB 3.45Å; I485-K489 WeakPolarHBondContact O-CG 3.45Å; I485-K489 PolarHBondContact O-N 3.45Å; I485-K489 VanDerWaalsContact O-N 3.09Å
486V79.7Confident75.3Confident28 Ų2871.4 Ų71.417%0.1739%0.388CS..Hα-helixtrans-65.2-49.5178.3172.90000110.3I301 F305 I482 A483 G484 L488 K489 T490I301-V486 HydrophobicContact CG2-CB 4.42Å; I301-V486 HydrophobicContact CG2-CG1 4.13Å; I301-V486 HydrophobicContact CG2-CG2 4.09Å; F305-V486 HydrophobicContact CB-CG2 3.97Å; F305-V486 HydrophobicContact CD2-CG2 3.75Å; F305-V486 HydrophobicContact CG-CG2 4.15Å; I482-V486 WeakPolarHBondContact O-CG2 3.39Å; I482-V486 PolarHBondContact O-N 3.4Å; I482-V486 VanDerWaalsContact O-N 3.14Å; A483-V486 PolarHBondContact O-N 3.38Å; G484-V486 VanDerWaalsContact C-N 3.33Å; G484-V486 PolarHBondContact O-N 3Å; V486-L488 VanDerWaalsContact C-N 3.31Å; V486-L488 PolarHBondContact O-N 3.38Å; V486-K489 PolarHBondContact O-N 3.17Å; V486-T490 HydrophobicContact CG1-CG2 4.43Å; V486-T490 WeakPolarHBondContact O-CG2 3.36Å; V486-T490 PolarHBondContact O-N 2.86Å; V486-T490 PolarHBondContact O-OG1 2.93Å
487I79.2Confident73.3Confident115 Ų11573.4 Ų73.459%0.5940%0.399SS*.Hα-helixtrans-60.6-40.8179.5-67.3165.4000111.4A483 G484 K489 T490A483-I487 VanDerWaalsContact O-CG1 3.28Å; A483-I487 WeakPolarHBondContact O-CG1 3.32Å; A483-I487 PolarHBondContact O-N 3.41Å; G484-I487 PolarHBondContact O-N 2.83Å; I487-K489 VanDerWaalsContact C-N 3.34Å; I487-K489 PolarHBondContact O-N 2.95Å; I487-T490 WeakPolarHBondContact CA-OG1 3.24Å; I487-T490 PolarHBondContact O-N 2.97Å; I487-T490 PolarHBondContact O-OG1 3.38Å
488L79Confident71.5Confident147 Ų14771.5 Ų71.577%0.7739%0.392SS*.Hα-helixtrans-67.9-33.8179.1-175.966.1000112.5G484 V486G484-L488 VanDerWaalsContact O-CB 3.26Å; G484-L488 WeakPolarHBondContact O-CB 3.47Å; G484-L488 PolarHBondContact O-N 3.49Å; V486-L488 VanDerWaalsContact C-N 3.31Å; V486-L488 PolarHBondContact O-N 3.38Å
489K75.3Confident69.7Low116 Ų11671.8 Ų71.850%0.50439%0.392SS..Hα-helixtrans-80.5-29.5177.7-79.6-167.1172.3-167.90113.2Y135 I301 I485 V486 I487 D491Y135-K489 WeakPolarHBondContact CE1-O 3.42Å; I301-K489 HydrophobicContact CD1-CB 3.88Å; I301-K489 HydrophobicContact CD1-CD 4.14Å; I301-K489 HydrophobicContact CG1-CD 4.4Å; I485-K489 WeakPolarHBondContact O-CB 3.45Å; I485-K489 WeakPolarHBondContact O-CG 3.45Å; I485-K489 PolarHBondContact O-N 3.45Å; I485-K489 VanDerWaalsContact O-N 3.09Å; V486-K489 PolarHBondContact O-N 3.17Å; I487-K489 VanDerWaalsContact C-N 3.34Å; I487-K489 PolarHBondContact O-N 2.95Å; K489-D491 PolarHBondContact O-N 3.17Å
490T68.1Low68Low23 Ų2375.7 Ų75.714%0.14141%0.412CS..SBendtrans-70.5106.1173.948.90000107.4V486 I487 L492V486-T490 HydrophobicContact CG1-CG2 4.43Å; V486-T490 WeakPolarHBondContact O-CG2 3.36Å; V486-T490 PolarHBondContact O-N 2.86Å; V486-T490 PolarHBondContact O-OG1 2.93Å; I487-T490 WeakPolarHBondContact CA-OG1 3.24Å; I487-T490 PolarHBondContact O-N 2.97Å; I487-T490 PolarHBondContact O-OG1 3.38Å; T490-L492 VanDerWaalsContact CB-CD1 3.48Å; T490-L492 WeakPolarHBondContact O-CD1 3.34Å; T490-L492 PolarHBondContact O-N 3.15Å; T490-L492 WeakPolarHBondContact OG1-CD1 3.25Å
491D57Low66.1Low108 Ų10875.5 Ų75.558%0.57841%0.412SS*.  trans-62.972.1170.2-76.5-37.1000109.5K489K489-D491 PolarHBondContact O-N 3.17Å
492L55.9Low64.2Low73 Ų7376.3 Ų76.338%0.38241%0.41SS..Hα-helixtrans-62.9-30.1173.8-9985.3000114.2T490 D494 T496T490-L492 VanDerWaalsContact CB-CD1 3.48Å; T490-L492 WeakPolarHBondContact O-CD1 3.34Å; T490-L492 PolarHBondContact O-N 3.15Å; T490-L492 WeakPolarHBondContact OG1-CD1 3.25Å; L492-D494 VanDerWaalsContact C-N 3.34Å; L492-D494 PolarHBondContact O-N 2.88Å; L492-T496 HydrophobicContact CB-CG2 4.28Å; L492-T496 HydrophobicContact CD2-CG2 3.97Å; L492-T496 HydrophobicContact CG-CG2 3.86Å; L492-T496 WeakPolarHBondContact O-CB 3.42Å; L492-T496 PolarHBondContact O-N 3.39Å; L492-T496 PolarHBondContact O-OG1 2.91Å
493P49.9Very low62.5Low89 Ų8980.3 Ų80.358%0.57843%0.431SS*.Hα-helixtrans-68.6-27.9-160.122.2-29.7000114.3L497P493-L497 WeakPolarHBondContact O-CB 3.33Å
494D52.7Low60.6Low123 Ų12382.7 Ų82.766%0.65844%0.443SS*.Hα-helixtrans-92.1-42.1-177.3-72.2-21.7000113.3L492 Q498L492-D494 VanDerWaalsContact C-N 3.34Å; L492-D494 PolarHBondContact O-N 2.88Å; D494-Q498 WeakPolarHBondContact O-CB 3.43Å; D494-Q498 VanDerWaalsContact O-CG 3.24Å; D494-Q498 WeakPolarHBondContact O-CG 3.33Å; D494-Q498 PolarHBondContact O-N 3.1Å
495T52Low58.7Low31 Ų3185.4 Ų85.419%0.1945%0.451CS..Hα-helixtrans-75.9-37.5-176.553.40000112.3L499T495-L499 WeakPolarHBondContact O-CB 3.35Å; T495-L499 WeakPolarHBondContact O-CD1 3.36Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.34Å; T495-L499 PolarHBondContact O-N 2.98Å
496T50.9Low57Low37 Ų3787.4 Ų87.423%0.22746%0.463CS..Hα-helixtrans-74.8-34.9178.162.80000112.4L492 Q498 L499 I500L492-T496 HydrophobicContact CB-CG2 4.28Å; L492-T496 HydrophobicContact CD2-CG2 3.97Å; L492-T496 HydrophobicContact CG-CG2 3.86Å; L492-T496 WeakPolarHBondContact O-CB 3.42Å; L492-T496 PolarHBondContact O-N 3.39Å; L492-T496 PolarHBondContact O-OG1 2.91Å; T496-Q498 VanDerWaalsContact C-N 3.34Å; T496-L499 PolarHBondContact O-N 3.21Å; T496-I500 WeakPolarHBondContact O-CB 3.38Å; T496-I500 WeakPolarHBondContact O-CD1 3.29Å; T496-I500 WeakPolarHBondContact O-CG1 3.29Å; T496-I500 PolarHBondContact O-N 3.5Å
497L49.1Very low55.3Low102 Ų10293.5 Ų93.553%0.53449%0.494SS..Hα-helixtrans-66.2-38.5174.8-159.291.4000111.2P493 N501P493-L497 WeakPolarHBondContact O-CB 3.33Å; L497-N501 VanDerWaalsContact O-CB 3.3Å; L497-N501 WeakPolarHBondContact O-CB 3.4Å; L497-N501 PolarHBondContact O-N 3.28Å
498Q52.7Low53Low93 Ų9398.7 Ų98.744%0.43552%0.516SS..Hα-helixtrans-64.8-40.1173-75.2179.1-3.100112.4D494 T496 R502D494-Q498 WeakPolarHBondContact O-CB 3.43Å; D494-Q498 VanDerWaalsContact O-CG 3.24Å; D494-Q498 WeakPolarHBondContact O-CG 3.33Å; D494-Q498 PolarHBondContact O-N 3.1Å; T496-Q498 VanDerWaalsContact C-N 3.34Å; Q498-R502 PolarHBondContact O-N 3.11Å; Q498-R502 VanDerWaalsContact O-N 3.17Å
499L53.5Low51.7Low45 Ų4596.3 Ų96.324%0.23650%0.503CS..Hα-helixtrans-71.4-39.1177.2-75.4163.5000112.9F186 P239 T495 T496 N503F186-L499 HydrophobicContact CE2-CD2 3.96Å; F186-L499 HydrophobicContact CZ-CD2 4.46Å; P239-L499 HydrophobicContact CG-CD1 4.23Å; T495-L499 WeakPolarHBondContact O-CB 3.35Å; T495-L499 WeakPolarHBondContact O-CD1 3.36Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.34Å; T495-L499 PolarHBondContact O-N 2.98Å; T496-L499 PolarHBondContact O-N 3.21Å; L499-N503 PolarHBondContact O-N 3.41Å; L499-N503 VanDerWaalsContact O-N 3.14Å
500I51.7Low50.5Low102 Ų10295.3 Ų95.352%0.52350%0.503SS..Hα-helixtrans-67.4-45.2176.8-69.7164.9000110.2T496 R502 V504T496-I500 WeakPolarHBondContact O-CB 3.38Å; T496-I500 WeakPolarHBondContact O-CD1 3.29Å; T496-I500 WeakPolarHBondContact O-CG1 3.29Å; T496-I500 PolarHBondContact O-N 3.5Å; I500-R502 VanDerWaalsContact C-N 3.31Å; I500-R502 PolarHBondContact O-N 3.45Å; I500-V504 VanDerWaalsContact O-CG2 3.31Å; I500-V504 WeakPolarHBondContact O-CG2 3.28Å; I500-V504 PolarHBondContact O-N 3.01Å
501N49.8Very low49.5Very low97 Ų9799.3 Ų99.352%0.51952%0.523SS..Hα-helixtrans-65.3-32.9178.8-78.7-14.5000112.6L497 V505L497-N501 VanDerWaalsContact O-CB 3.3Å; L497-N501 WeakPolarHBondContact O-CB 3.4Å; L497-N501 PolarHBondContact O-N 3.28Å; N501-V505 VanDerWaalsContact O-CG2 3.24Å; N501-V505 WeakPolarHBondContact O-CG2 3.33Å; N501-V505 PolarHBondContact O-N 3.33Å
502R51.5Low49Very low90 Ų9098.8 Ų98.834%0.3452%0.52SS..Hα-helixtrans-73.9-43.7177.4-93.6-176.4166.9-170.4-4.6113.4E190 Q498 I500 V504 V505 D506E190-R502 IonicContact OE2-NH1 2.8Å; E190-R502 PolarHBondContact OE2-NH1 2.84Å; E190-R502 IonicContact OE2-NH2 2.66Å; Q498-R502 PolarHBondContact O-N 3.11Å; Q498-R502 VanDerWaalsContact O-N 3.17Å; I500-R502 VanDerWaalsContact C-N 3.31Å; I500-R502 PolarHBondContact O-N 3.45Å; R502-V504 PolarHBondContact O-N 3.23Å; R502-V505 PolarHBondContact O-N 3.35Å; R502-D506 PolarHBondContact O-N 3.02Å; R502-D506 VanDerWaalsContact O-N 3.11Å
503N50.3Low48.6Very low104 Ų104100.4 Ų100.456%0.55653%0.529SS*.Hα-helixtrans-66.3-23.6179.3-71-15.5000112.8L499 L507L499-N503 PolarHBondContact O-N 3.41Å; L499-N503 VanDerWaalsContact O-N 3.14Å; N503-L507 WeakPolarHBondContact O-CD1 3.37Å
504V45.6Very low48.5Very low84 Ų84101.1 Ų101.151%0.50953%0.525SS..Hα-helixtrans-78.3-29.3173.3175.10000111.9I500 R502I500-V504 VanDerWaalsContact O-CG2 3.31Å; I500-V504 WeakPolarHBondContact O-CG2 3.28Å; I500-V504 PolarHBondContact O-N 3.01Å; R502-V504 PolarHBondContact O-N 3.23Å
505V46.3Very low48.2Very low93 Ų9399.6 Ų99.656%0.56452%0.516SS*.Hα-helixtrans-80.4-29.5179.4173.50000112.4N501 R502 L507N501-V505 VanDerWaalsContact O-CG2 3.24Å; N501-V505 WeakPolarHBondContact O-CG2 3.33Å; N501-V505 PolarHBondContact O-N 3.33Å; R502-V505 PolarHBondContact O-N 3.35Å; V505-L507 PolarHBondContact O-N 3.36Å
506D47.6Very low47.9Very low136 Ų136104.8 Ų104.873%0.72754%0.541SS*.THydrogen-bonded Turntrans-80.7-1.1173.7-72-30.5000113.4R502R502-D506 PolarHBondContact O-N 3.02Å; R502-D506 VanDerWaalsContact O-N 3.11Å
507L43.6Very low47.7Very low156 Ų156110.5 Ų110.582%0.81757%0.567SS**THydrogen-bonded Turntrans-107.53.5175.3-82.6166.4000113.6N503 V505N503-L507 WeakPolarHBondContact O-CD1 3.37Å; V505-L507 PolarHBondContact O-N 3.36Å
508Q30.7Very low47.6Very low224 Ų224111.3 Ų111.3100%1.04757%0.57SS**  trans-115.30169-77.1-170.5-48.700110.2

Retrieved 508 of 508 residues in 141.8 ms (Link to these results)

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