A0A077ZI33_TRITR Loading...

Lipoma HMGIC fusion partner

AlphaFold DB , UniProt , Accession A0A077ZI33, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 240 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
1M36.7Very low65Low239 Ų239100 Ų100100%1.17753%0.527SS*.  0108.40-64.8173.2-168.600107.5S3M1-S3 PolarHBondContact O-N 3.09Å
2V47.6Very low67Low112 Ų11295.2 Ų95.268%0.67951%0.512SS*.  trans-65.1106.2173.2176.40000106.2S4V2-S4 PolarHBondContact O-N 3.14Å
3S49.9Very low68.8Low99 Ų9987.9 Ų87.969%0.69247%0.473SS*.  trans-59.6105.7169-84.70000106.9M1 S5M1-S3 PolarHBondContact O-N 3.09Å; S3-S5 PolarHBondContact O-N 2.92Å
4S52.1Low70.5Confident81 Ų8181.7 Ų81.757%0.56644%0.44SS*.  trans-62.1106.6179.7-36.80000107.2V2 L6V2-S4 PolarHBondContact O-N 3.14Å; S4-L6 PolarHBondContact O-N 3.1Å; S4-L6 VanDerWaalsContact O-N 3.16Å
5S56.7Low71.9Confident78 Ų7880.5 Ų80.555%0.54544%0.436SS..  trans-745.6176.450.40000112.8S3S3-S5 PolarHBondContact O-N 2.92Å
6L59Low73.3Confident39 Ų3977.6 Ų77.620%0.20442%0.421CS..SBendtrans-72132.7175.5-103.263.2000109.7S4 A115S4-L6 PolarHBondContact O-N 3.1Å; S4-L6 VanDerWaalsContact O-N 3.16Å; L6-A115 VanDerWaalsContact CD1-O 3.27Å; L6-A115 WeakPolarHBondContact CD1-O 2.86Å
7T75.7Confident74.6Confident36 Ų3673.1 Ų73.122%0.22140%0.396CS..  trans-55.5152.5166.459.30000109.7T9 G10 Y11 K220T7-T9 PolarHBondContact O-N 3.19Å; T7-G10 WeakPolarHBondContact O-CA 3.49Å; T7-G10 PolarHBondContact O-N 3Å; T7-G10 PolarHBondContact OG1-N 2.72Å; T7-Y11 PolarHBondContact O-N 2.93Å; T7-K220 HydrophobicContact CG2-CG 4.2Å
8R82.4Confident75.8Confident232 Ų23270.8 Ų70.888%0.87539%0.389SS*.Hα-helixtrans-48-38.2174.1-70.8-174.9-73.9176.5-3.2112.2A12R8-A12 WeakPolarHBondContact O-CB 3.36Å; R8-A12 PolarHBondContact O-N 3.27Å; R8-A12 VanDerWaalsContact O-N 3.09Å
9T84.1Confident76.9Confident42 Ų4271.8 Ų71.826%0.25839%0.393SS..Hα-helixtrans-64.1-44.8174.7-49.30000112.8T7 A12 W13 T216 A217T7-T9 PolarHBondContact O-N 3.19Å; T9-A12 PolarHBondContact O-N 3.42Å; T9-W13 WeakPolarHBondContact O-CB 3.35Å; T9-W13 PolarHBondContact O-N 3.41Å; T9-T216 HydrophobicContact CG2-CG2 4.02Å; T9-A217 HydrophobicContact CG2-CB 4.25Å
10G85Confident77.9Confident4 Ų468.3 Ų68.34%0.04137%0.373CS..Hα-helixtrans-64-41.217800000112.5T7 W13 S14T7-G10 WeakPolarHBondContact O-CA 3.49Å; T7-G10 PolarHBondContact O-N 3Å; T7-G10 PolarHBondContact OG1-N 2.72Å; G10-W13 PolarHBondContact O-N 2.78Å; G10-S14 WeakPolarHBondContact O-CB 3.39Å; G10-S14 PolarHBondContact O-N 2.74Å
11Y85.5Confident78.9Confident138 Ų13865.6 Ų65.654%0.54136%0.36SS..Hα-helixtrans-63.7-49175.9-177.7-97.4000111.6T7 W13 S14 T15T7-Y11 PolarHBondContact O-N 2.93Å; Y11-W13 VanDerWaalsContact C-N 3.27Å; Y11-W13 PolarHBondContact O-N 3.44Å; Y11-S14 PolarHBondContact O-N 3.33Å; Y11-S14 VanDerWaalsContact O-N 3.16Å; Y11-T15 HydrophobicContact CD1-CG2 4.22Å; Y11-T15 HydrophobicContact CE1-CG2 3.78Å; Y11-T15 HydrophobicContact CE2-CG2 4.17Å; Y11-T15 WeakPolarHBondContact O-CG2 3.22Å; Y11-T15 PolarHBondContact O-N 3.2Å; Y11-T15 PolarHBondContact O-OG1 3.11Å
12A88.9Confident81.7Confident42 Ų4256.5 Ų56.535%0.34732%0.324SS..Hα-helixtrans-59.7-37.7176.900000112.6R8 T9 T15 L16R8-A12 WeakPolarHBondContact O-CB 3.36Å; R8-A12 PolarHBondContact O-N 3.27Å; R8-A12 VanDerWaalsContact O-N 3.09Å; T9-A12 PolarHBondContact O-N 3.42Å; A12-T15 PolarHBondContact O-OG1 3.33Å; A12-T15 VanDerWaalsContact O-OG1 3.09Å; A12-L16 VanDerWaalsContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 3.17Å; A12-L16 VanDerWaalsContact O-N 3.1Å
13W91.6Very high84.1Confident1 Ų152.9 Ų52.90%0.00430%0.3CS..Hα-helixtrans-67.6-41.6175.317843.5000112.6T9 G10 Y11 S17 T112 I122 A127 I130 Q134 C210 L213 S214 A217T9-W13 WeakPolarHBondContact O-CB 3.35Å; T9-W13 PolarHBondContact O-N 3.41Å; G10-W13 PolarHBondContact O-N 2.78Å; Y11-W13 VanDerWaalsContact C-N 3.27Å; Y11-W13 PolarHBondContact O-N 3.44Å; W13-S17 PolarHBondContact NE1-OG 3.05Å; W13-S17 VanDerWaalsContact O-CB 3.31Å; W13-S17 WeakPolarHBondContact O-CB 3.39Å; W13-S17 PolarHBondContact O-N 3.01Å; W13-S17 PolarHBondContact O-OG 3.38Å; W13-T112 HydrophobicContact CD2-CG2 3.89Å; W13-T112 HydrophobicContact CE3-CG2 3.76Å; W13-T112 HydrophobicContact CH2-CG2 4.26Å; W13-T112 HydrophobicContact CZ2-CG2 4.39Å; W13-T112 HydrophobicContact CZ3-CG2 3.97Å; W13-I122 HydrophobicContact CE3-CD1 4.45Å; W13-I122 HydrophobicContact CZ3-CD1 3.82Å; W13-I122 HydrophobicContact CZ3-CG2 4.01Å; W13-A127 HydrophobicContact CH2-CB 4.25Å; W13-A127 HydrophobicContact CZ3-CB 4.35Å; W13-I130 HydrophobicContact CH2-CB 3.98Å; W13-I130 HydrophobicContact CH2-CD1 3.8Å; W13-I130 HydrophobicContact CH2-CG2 3.95Å; W13-I130 HydrophobicContact CZ2-CB 3.85Å; W13-I130 HydrophobicContact CZ2-CD1 4.38Å; W13-I130 HydrophobicContact CZ2-CG2 3.42Å; W13-I130 VanDerWaalsContact CZ2-CG2 3.42Å; W13-Q134 VanDerWaalsContact NE1-OE1 3.12Å; W13-C210 VanDerWaalsContact CD1-O 3.3Å; W13-C210 PolarHBondContact NE1-O 3.48Å; W13-L213 HydrophobicContact CB-CB 3.98Å; W13-L213 HydrophobicContact CB-CD1 4.48Å; W13-L213 HydrophobicContact CG-CB 4.11Å; W13-S214 WeakPolarHBondContact CH2-OG 3.06Å; W13-S214 VanDerWaalsContact CZ2-CB 3.46Å; W13-S214 WeakPolarHBondContact CZ2-OG 3.44Å; W13-A217 HydrophobicContact CE3-CB 4.33Å
14S91.6Very high86.3Confident1 Ų148.1 Ų48.11%0.00727%0.267CS..Hα-helixtrans-64-47178.3-168.90000112.1G10 Y11 L16 S17 A18 T112 C116G10-S14 WeakPolarHBondContact O-CB 3.39Å; G10-S14 PolarHBondContact O-N 2.74Å; Y11-S14 PolarHBondContact O-N 3.33Å; Y11-S14 VanDerWaalsContact O-N 3.16Å; S14-L16 PolarHBondContact O-N 3.07Å; S14-S17 PolarHBondContact O-N 3.23Å; S14-A18 PolarHBondContact O-N 3.37Å; S14-T112 VanDerWaalsContact CA-CG2 3.48Å; S14-T112 VanDerWaalsContact OG-C 3.32Å; S14-T112 PolarHBondContact OG-O 3.4Å; S14-C116 PolarHBondContact OG-SG 3.3Å; S14-C116 VanDerWaalsContact OG-SG 3.4Å
15T91.9Very high88.5Confident63 Ų6346.1 Ų46.139%0.38726%0.255SS..Hα-helixtrans-65-40.3178.156.30000112.1Y11 A12 A18 L19Y11-T15 HydrophobicContact CD1-CG2 4.22Å; Y11-T15 HydrophobicContact CE1-CG2 3.78Å; Y11-T15 HydrophobicContact CE2-CG2 4.17Å; Y11-T15 WeakPolarHBondContact O-CG2 3.22Å; Y11-T15 PolarHBondContact O-N 3.2Å; Y11-T15 PolarHBondContact O-OG1 3.11Å; A12-T15 PolarHBondContact O-OG1 3.33Å; A12-T15 VanDerWaalsContact O-OG1 3.09Å; T15-A18 PolarHBondContact O-N 3.11Å; T15-L19 PolarHBondContact O-N 2.88Å
16L94.5Very high90.3Very high35 Ų3547.2 Ų47.218%0.18325%0.254CS..Hα-helixtrans-67-38.1175.7-168.166.6000112.1A12 S14 A18 L19 T20 L206 A209 C210 L213A12-L16 VanDerWaalsContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 3.17Å; A12-L16 VanDerWaalsContact O-N 3.1Å; S14-L16 PolarHBondContact O-N 3.07Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.34Å; L16-L19 PolarHBondContact O-N 3.4Å; L16-T20 WeakPolarHBondContact O-CG2 3.12Å; L16-T20 PolarHBondContact O-N 3.35Å; L16-T20 PolarHBondContact O-OG1 3.2Å; L16-L206 HydrophobicContact CD1-CD2 4.32Å; L16-A209 HydrophobicContact CD2-CB 4.25Å; L16-C210 VanDerWaalsContact CD2-SG 3.55Å; L16-C210 WeakPolarHBondContact CG-SG 3.39Å; L16-L213 HydrophobicContact CD2-CD1 3.74Å
17S95.7Very high92.1Very high0 Ų045.4 Ų45.40%025%0.245CC..Hα-helixtrans-63.9-39.8175.1-58.80000111.4W13 S14 T20 A21 A109 Q134W13-S17 PolarHBondContact NE1-OG 3.05Å; W13-S17 VanDerWaalsContact O-CB 3.31Å; W13-S17 WeakPolarHBondContact O-CB 3.39Å; W13-S17 PolarHBondContact O-N 3.01Å; W13-S17 PolarHBondContact O-OG 3.38Å; S14-S17 PolarHBondContact O-N 3.23Å; S17-T20 WeakPolarHBondContact CA-OG1 3.37Å; S17-T20 PolarHBondContact O-OG1 3.34Å; S17-A21 PolarHBondContact O-N 3.47Å; S17-A109 WeakPolarHBondContact O-CB 3.44Å; S17-Q134 PolarHBondContact OG-NE2 2.96Å
18A95.7Very high93Very high32 Ų3245.6 Ų45.626%0.26424%0.243SC..Hα-helixtrans-65.7-41.8174.100000112.4S14 T15 L16 A21 A22 L113S14-A18 PolarHBondContact O-N 3.37Å; T15-A18 PolarHBondContact O-N 3.11Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.34Å; A18-A21 PolarHBondContact O-N 2.6Å; A18-A22 PolarHBondContact O-N 3.28Å; A18-A22 VanDerWaalsContact O-N 3.09Å; A18-L113 HydrophobicContact CB-CD1 4.02Å; A18-L113 HydrophobicContact CB-CD2 4.15Å; A18-L113 HydrophobicContact CB-CG 4.29Å
19L96.6Very high93.6Very high91 Ų9140.5 Ų40.548%0.47622%0.224SC..Hα-helixtrans-63.4-46.4177.4-179.960.6000111.6T15 L16 A21 A22 I23T15-L19 PolarHBondContact O-N 2.88Å; L16-L19 PolarHBondContact O-N 3.4Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.21Å; L19-A22 PolarHBondContact O-N 2.01Å; L19-I23 HydrophobicContact CD1-CD1 4.02Å; L19-I23 HydrophobicContact CD1-CG1 4.27Å; L19-I23 HydrophobicContact CG-CD1 3.85Å; L19-I23 HydrophobicContact CG-CG1 4.48Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 2.71Å
20T97.6Very high94.1Very high0 Ų041.6 Ų41.60%023%0.227CC..Hα-helixtrans-61.8-40176.646.90000112L16 S17 A22 I23 A24 D203 L206 L207L16-T20 WeakPolarHBondContact O-CG2 3.12Å; L16-T20 PolarHBondContact O-N 3.35Å; L16-T20 PolarHBondContact O-OG1 3.2Å; S17-T20 WeakPolarHBondContact CA-OG1 3.37Å; S17-T20 PolarHBondContact O-OG1 3.34Å; T20-A22 VanDerWaalsContact C-N 3.35Å; T20-A22 PolarHBondContact O-N 2.92Å; T20-I23 PolarHBondContact O-N 3.45Å; T20-A24 VanDerWaalsContact O-CB 3.24Å; T20-A24 WeakPolarHBondContact O-CB 3.14Å; T20-A24 PolarHBondContact O-N 2.94Å; T20-D203 WeakPolarHBondContact CA-OD1 3.35Å; T20-D203 VanDerWaalsContact CB-OD1 3.28Å; T20-D203 WeakPolarHBondContact CB-OD1 3.47Å; T20-L206 HydrophobicContact CG2-CB 3.38Å; T20-L206 HydrophobicContact CG2-CD1 4.26Å; T20-L206 HydrophobicContact CG2-CG 4.46Å; T20-L207 HydrophobicContact CG2-CD2 4.36Å; T20-L207 HydrophobicContact CG2-CG 4.44Å
21A97.7Very high94.5Very high12 Ų1242 Ų4210%0.09923%0.229CC..Hα-helixtrans-60.4-42.1173.400000113.3S17 A18 L19 A25 T105 I106 A109S17-A21 PolarHBondContact O-N 3.47Å; A18-A21 PolarHBondContact O-N 2.6Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.21Å; A21-A25 VanDerWaalsContact O-CB 3.31Å; A21-A25 WeakPolarHBondContact O-CB 3.01Å; A21-A25 PolarHBondContact O-N 2.84Å; A21-T105 HydrophobicContact CB-CG2 4.03Å; A21-I106 HydrophobicContact CB-CG1 4.19Å; A21-A109 HydrophobicContact CB-CB 3.53Å
22A97Very high94.8Very high49 Ų4938.5 Ų38.541%0.40522%0.215SC..Hα-helixtrans-65.3-44.6176.400000111.8A18 L19 T20 A25 L26A18-A22 PolarHBondContact O-N 3.28Å; A18-A22 VanDerWaalsContact O-N 3.09Å; L19-A22 PolarHBondContact O-N 2.01Å; T20-A22 VanDerWaalsContact C-N 3.35Å; T20-A22 PolarHBondContact O-N 2.92Å; A22-A25 PolarHBondContact O-N 2.91Å; A22-L26 WeakPolarHBondContact O-CB 3.49Å; A22-L26 VanDerWaalsContact O-CG 3.24Å; A22-L26 WeakPolarHBondContact O-CG 2.82Å; A22-L26 PolarHBondContact O-N 2.92Å
23I96.5Very high95Very high35 Ų3536.5 Ų36.518%0.17920%0.199CC..Hα-helixtrans-64.4-45.9178.4-64169.5000110.6L19 T20 A25 L26 G27 I199 D203 L206L19-I23 HydrophobicContact CD1-CD1 4.02Å; L19-I23 HydrophobicContact CD1-CG1 4.27Å; L19-I23 HydrophobicContact CG-CD1 3.85Å; L19-I23 HydrophobicContact CG-CG1 4.48Å; L19-I23 VanDerWaalsContact O-CG1 3.32Å; L19-I23 WeakPolarHBondContact O-CG1 3.31Å; L19-I23 PolarHBondContact O-N 2.71Å; T20-I23 PolarHBondContact O-N 3.45Å; I23-A25 PolarHBondContact O-N 2.87Å; I23-L26 PolarHBondContact O-N 2.96Å; I23-G27 PolarHBondContact O-N 3.3Å; I23-I199 HydrophobicContact CG2-CB 3.99Å; I23-I199 HydrophobicContact CG2-CG1 4.44Å; I23-I199 WeakPolarHBondContact CG2-O 3.46Å; I23-D203 HydrophobicContact CB-CB 4.45Å; I23-D203 HydrophobicContact CG2-CB 3.8Å; I23-L206 HydrophobicContact CD1-CD1 3.78Å
24A97.4Very high95Very high0 Ų036.5 Ų36.50%020%0.199CC..Hα-helixtrans-58.4-46.7176.800000111.8T20 F28 A102 T105 D203T20-A24 VanDerWaalsContact O-CB 3.24Å; T20-A24 WeakPolarHBondContact O-CB 3.14Å; T20-A24 PolarHBondContact O-N 2.94Å; A24-F28 WeakPolarHBondContact O-CB 3.38Å; A24-F28 PolarHBondContact O-N 3.42Å; A24-A102 HydrophobicContact CB-CB 4.26Å; A24-T105 HydrophobicContact CB-CG2 4.33Å; A24-D203 WeakPolarHBondContact CB-OD2 3.19Å
25A96.8Very high94.9Very high38 Ų3840 Ų4031%0.31421%0.214SC..Hα-helixtrans-63.4-47178.700000112A21 A22 I23 Y29 I106A21-A25 VanDerWaalsContact O-CB 3.31Å; A21-A25 WeakPolarHBondContact O-CB 3.01Å; A21-A25 PolarHBondContact O-N 2.84Å; A22-A25 PolarHBondContact O-N 2.91Å; I23-A25 PolarHBondContact O-N 2.87Å; A25-Y29 VanDerWaalsContact O-CB 3.24Å; A25-Y29 WeakPolarHBondContact O-CB 3.19Å; A25-Y29 PolarHBondContact O-N 3.27Å; A25-I106 HydrophobicContact CB-CD1 4.37Å
26L95.6Very high94.8Very high102 Ų10237 Ų3753%0.53420%0.196SC..Hα-helixtrans-65.6-45.6178.7-70.5173.7000111.6A22 I23 Y29 M30A22-L26 WeakPolarHBondContact O-CB 3.49Å; A22-L26 VanDerWaalsContact O-CG 3.24Å; A22-L26 WeakPolarHBondContact O-CG 2.82Å; A22-L26 PolarHBondContact O-N 2.92Å; I23-L26 PolarHBondContact O-N 2.96Å; L26-Y29 PolarHBondContact O-N 3.05Å; L26-M30 WeakPolarHBondContact O-CB 3.29Å; L26-M30 WeakPolarHBondContact O-CG 3.41Å; L26-M30 PolarHBondContact O-N 3.3Å
27G95.4Very high94.4Very high0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-61.8-45177.700000112.4I23 W33I23-G27 PolarHBondContact O-N 3.3Å; G27-W33 PolarHBondContact O-NE1 3.23Å
28F96.2Very high94Very high41 Ų4139.5 Ų39.518%0.1821%0.207CC..Hα-helixtrans-65.2-43.2178.1179.5-117.8000112.5A24 N50 F52 T95 V98 A102A24-F28 WeakPolarHBondContact O-CB 3.38Å; A24-F28 PolarHBondContact O-N 3.42Å; F28-N50 PolarHBondContact O-ND2 2.86Å; F28-F52 HydrophobicContact CD1-CE1 4.46Å; F28-F52 HydrophobicContact CD1-CZ 4.39Å; F28-F52 HydrophobicContact CD2-CE1 4.06Å; F28-F52 HydrophobicContact CE1-CE1 4.02Å; F28-F52 HydrophobicContact CE1-CZ 4.04Å; F28-F52 HydrophobicContact CE2-CD1 4.3Å; F28-F52 AromaticContact CE2-CE1 3.58Å; F28-F52 HydrophobicContact CE2-CE1 3.58Å; F28-F52 HydrophobicContact CE2-CZ 4.39Å; F28-F52 HydrophobicContact CG-CE1 4.49Å; F28-F52 HydrophobicContact CZ-CD1 4.28Å; F28-F52 AromaticContact CZ-CE1 3.56Å; F28-F52 HydrophobicContact CZ-CE1 3.56Å; F28-F52 HydrophobicContact CZ-CZ 4.05Å; F28-F52 WeakPolarHBondContact O-CE1 3.4Å; F28-F52 WeakPolarHBondContact O-CZ 3.32Å; F28-T95 WeakPolarHBondContact CE2-O 3.32Å; F28-T95 HydrophobicContact CZ-CG2 4.3Å; F28-V98 HydrophobicContact CB-CG1 4.42Å; F28-V98 HydrophobicContact CD2-CB 3.94Å; F28-V98 HydrophobicContact CD2-CG1 3.55Å; F28-V98 HydrophobicContact CE2-CB 4.12Å; F28-V98 HydrophobicContact CE2-CG1 4.24Å; F28-V98 HydrophobicContact CG-CG1 4.35Å; F28-A102 HydrophobicContact CB-CB 4.4Å
29Y95Very high93.5Very high125 Ų12542.5 Ų42.549%0.4922%0.222SC..Hα-helixtrans-80-32-174.1-170.8-101000113.9A25 L26 R53A25-Y29 VanDerWaalsContact O-CB 3.24Å; A25-Y29 WeakPolarHBondContact O-CB 3.19Å; A25-Y29 PolarHBondContact O-N 3.27Å; L26-Y29 PolarHBondContact O-N 3.05Å; Y29-R53 VanDerWaalsContact CE1-NH1 3.34Å; Y29-R53 PolarHBondContact OH-NH1 3.26Å; Y29-R53 PolarHBondContact OH-NH2 2.88Å
30M94.2Very high92.9Very high64 Ų6440 Ų4032%0.31521%0.208SC..  trans-68.5136.4-174.3-85.4-63.3174.400112.6L26 Y32 W33 N50 A196L26-M30 WeakPolarHBondContact O-CB 3.29Å; L26-M30 WeakPolarHBondContact O-CG 3.41Å; L26-M30 PolarHBondContact O-N 3.3Å; M30-Y32 HydrophobicContact CB-CD2 4.03Å; M30-Y32 HydrophobicContact CG-CD2 4.31Å; M30-Y32 PolarHBondContact O-N 2.99Å; M30-Y32 VanDerWaalsContact O-N 3.14Å; M30-Y32 HydrophobicContact SD-CD2 3.78Å; M30-Y32 HydrophobicContact SD-CE2 3.56Å; M30-Y32 VanDerWaalsContact SD-CE2 3.56Å; M30-W33 VanDerWaalsContact O-CD1 3.32Å; M30-N50 PolarHBondContact O-ND2 3.43Å; M30-A196 HydrophobicContact CB-CB 3.77Å
31P92.7Very high92.1Very high12 Ų1245.5 Ų45.58%0.07823%0.234CC..SBendtrans-74.5-1.1-177.231.8-36.1000113.9W33 F49 C55P31-W33 VanDerWaalsContact C-N 3.33Å; P31-W33 PolarHBondContact O-N 2.88Å; P31-F49 CarbonylContact O-C 3.54Å; P31-F49 PolarHBondContact O-N 2.73Å; P31-C55 VanDerWaalsContact CB-SG 3.52Å; P31-C55 WeakPolarHBondContact CG-SG 2.97Å
32Y92.5Very high91.2Very high65 Ų6553.8 Ų53.826%0.25527%0.271SS..THydrogen-bonded Turntrans-92.348.8-167.6-51.8-77.1000112.9M30 Y48 G194 Y195 A196M30-Y32 HydrophobicContact CB-CD2 4.03Å; M30-Y32 HydrophobicContact CG-CD2 4.31Å; M30-Y32 PolarHBondContact O-N 2.99Å; M30-Y32 VanDerWaalsContact O-N 3.14Å; M30-Y32 HydrophobicContact SD-CD2 3.78Å; M30-Y32 HydrophobicContact SD-CE2 3.56Å; M30-Y32 VanDerWaalsContact SD-CE2 3.56Å; Y32-Y48 AromaticContact CD1-CD1 3.53Å; Y32-Y48 HydrophobicContact CD1-CD1 3.53Å; Y32-Y48 HydrophobicContact CD1-CD2 4.27Å; Y32-Y48 AromaticContact CD1-CE1 3.85Å; Y32-Y48 HydrophobicContact CD1-CE1 3.85Å; Y32-Y48 AromaticContact CD1-CG 3.74Å; Y32-Y48 HydrophobicContact CD1-CG 3.74Å; Y32-Y48 HydrophobicContact CE1-CD1 4.15Å; Y32-Y48 HydrophobicContact CE1-CD2 4.08Å; Y32-Y48 HydrophobicContact CE1-CE1 4.3Å; Y32-Y48 HydrophobicContact CE1-CE2 4.26Å; Y32-Y48 HydrophobicContact CE1-CG 4.01Å; Y32-G194 CarbonylContact O-C 3.57Å; Y32-G194 WeakPolarHBondContact O-CA 3.43Å; Y32-Y195 VanDerWaalsContact CB-CE1 3.46Å; Y32-Y195 HydrophobicContact CD1-CE1 4.08Å; Y32-Y195 AromaticContact CD2-CE1 3.61Å; Y32-Y195 HydrophobicContact CD2-CE1 3.61Å; Y32-Y195 HydrophobicContact CD2-CE2 4.41Å; Y32-Y195 AromaticContact CD2-CZ 3.39Å; Y32-Y195 WeakPolarHBondContact CD2-OH 3.24Å; Y32-Y195 HydrophobicContact CE2-CE1 4.34Å; Y32-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y32-Y195 HydrophobicContact CG-CD1 4.35Å; Y32-Y195 AromaticContact CG-CE1 3.45Å; Y32-Y195 HydrophobicContact CG-CE1 3.45Å; Y32-Y195 VanDerWaalsContact CG-CE1 3.45Å; Y32-Y195 AromaticContact CG-CZ 3.76Å; Y32-Y195 PolarHBondContact O-N 3.37Å; Y32-A196 WeakPolarHBondContact O-CB 3.34Å; Y32-A196 PolarHBondContact O-N 3.02Å; Y32-A196 VanDerWaalsContact O-N 3.1Å
33W93.2Very high90.5Very high1 Ų157 Ų570%0.00428%0.277CS..THydrogen-bonded Turntrans-87.7-38.5176.1-71.234.2000111.9G27 M30 P31 F49 N50 T94 V98 Y148 G194 Y197 L200G27-W33 PolarHBondContact O-NE1 3.23Å; M30-W33 VanDerWaalsContact O-CD1 3.32Å; P31-W33 VanDerWaalsContact C-N 3.33Å; P31-W33 PolarHBondContact O-N 2.88Å; W33-F49 VanDerWaalsContact CB-O 3.31Å; W33-F49 WeakPolarHBondContact CB-O 3.26Å; W33-F49 PolarHBondContact N-O 3.44Å; W33-N50 HydrophobicContact CG-CB 4.16Å; W33-N50 PolarHBondContact NE1-ND2 3Å; W33-T94 HydrophobicContact CH2-CG2 3.99Å; W33-T94 HydrophobicContact CZ3-CG2 3.69Å; W33-V98 HydrophobicContact CH2-CB 4.41Å; W33-V98 HydrophobicContact CH2-CG1 4.23Å; W33-V98 HydrophobicContact CH2-CG2 4.04Å; W33-V98 HydrophobicContact CZ2-CG1 4.44Å; W33-Y148 HydrophobicContact CB-CE1 3.96Å; W33-Y148 AromaticContact CE3-CD1 3.86Å; W33-Y148 HydrophobicContact CE3-CD1 3.86Å; W33-Y148 AromaticContact CE3-CD2 3.81Å; W33-Y148 HydrophobicContact CE3-CD2 3.81Å; W33-Y148 HydrophobicContact CE3-CE1 4.01Å; W33-Y148 AromaticContact CE3-CE2 3.99Å; W33-Y148 HydrophobicContact CE3-CE2 3.99Å; W33-Y148 AromaticContact CE3-CG 3.74Å; W33-Y148 HydrophobicContact CE3-CG 3.74Å; W33-Y148 HydrophobicContact CZ3-CD1 4.47Å; W33-Y148 HydrophobicContact CZ3-CD2 4.02Å; W33-Y148 AromaticContact CZ3-CG 3.96Å; W33-Y148 HydrophobicContact CZ3-CG 3.96Å; W33-G194 PolarHBondContact O-N 3.41Å; W33-Y197 HydrophobicContact CB-CD2 4.45Å; W33-Y197 HydrophobicContact CD2-CD2 4.19Å; W33-Y197 AromaticContact CE3-CD2 3.72Å; W33-Y197 HydrophobicContact CE3-CD2 3.72Å; W33-Y197 HydrophobicContact CE3-CE2 4.29Å; W33-Y197 HydrophobicContact CZ3-CD2 4.33Å; W33-L200 HydrophobicContact CD2-CD1 4.48Å; W33-L200 HydrophobicContact CH2-CD1 3.71Å; W33-L200 HydrophobicContact CZ2-CD1 3.14Å
34L90.9Very high90Very high0 Ų058.7 Ų58.70%029%0.29CS..EExtended strand (participates in β ladder)trans-132.7132.4176.7-173.171.4000108.6Y48 F49 Y148 W152 L170 C191L34-Y48 CarbonylContact O-C 2.91Å; L34-Y48 WeakPolarHBondContact O-CA 3.38Å; L34-F49 HydrophobicContact CB-CB 4.26Å; L34-F49 HydrophobicContact CD2-CD2 4.29Å; L34-F49 PolarHBondContact N-O 2.89Å; L34-F49 PolarHBondContact O-N 3.29Å; L34-Y148 HydrophobicContact CB-CE1 4.26Å; L34-W152 HydrophobicContact CD1-CZ2 4.01Å; L34-W152 HydrophobicContact CD2-CG 4.49Å; L34-L170 HydrophobicContact CD1-CD1 4.17Å; L34-C191 HydrophobicContact CD1-CB 4Å; L34-C191 HydrophobicContact CG-CB 4.37Å
35K90.2Very high89.6Confident74 Ų7459.6 Ų59.632%0.32229%0.294SS..EExtended strand (participates in β ladder)trans-108.1125.1172.6178.8-179179.9175.70108.6A47 Y48 C191 K192K35-A47 CarbonylContact C-O 3.58Å; K35-A47 WeakPolarHBondContact CA-O 3.39Å; K35-Y48 HydrophobicContact CB-CD1 3.97Å; K35-Y48 HydrophobicContact CB-CE1 3.89Å; K35-Y48 HydrophobicContact CD-CE1 3.81Å; K35-Y48 HydrophobicContact CG-CD1 4.07Å; K35-Y48 HydrophobicContact CG-CE1 3.62Å; K35-C191 CarbonylContact O-C 3.59Å; K35-C191 WeakPolarHBondContact O-CA 3.43Å; K35-C191 WeakPolarHBondContact O-CB 3.44Å; K35-C191 PolarHBondContact O-SG 2.93Å; K35-C191 VanDerWaalsContact O-SG 3.42Å; K35-K192 HydrophobicContact CB-CB 4.49Å; K35-K192 PolarHBondContact N-O 3.3Å; K35-K192 PolarHBondContact O-N 3.4Å
36G88.5Confident89.2Confident1 Ų159.8 Ų59.81%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-126.3-170.2169.200000111.8P46 A47 C191G36-P46 CarbonylContact O-C 3.49Å; G36-P46 VanDerWaalsContact O-CA 3.29Å; G36-P46 WeakPolarHBondContact O-CA 2.95Å; G36-A47 PolarHBondContact N-O 2.94Å; G36-A47 PolarHBondContact O-N 3.24Å; G36-C191 WeakPolarHBondContact CA-SG 3.35Å
37E87.3Confident89Confident79 Ų7955 Ų5537%0.36927%0.267SS..EExtended strand (participates in β ladder)trans-133.6120-177.3-61.4-99.3136.400108.6T44 A160E37-T44 HydrophobicContact CB-CG2 4.08Å; E37-T44 WeakPolarHBondContact OE2-CG2 3.29Å; E37-A160 PolarHBondContact N-O 2.9Å; E37-A160 CarbonylContact O-C 3.5Å; E37-A160 WeakPolarHBondContact O-CA 3.24Å; E37-A160 VanDerWaalsContact O-O 3.06Å
38L87.4Confident88.8Confident9 Ų957.4 Ų57.45%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-98.2126.6173.1-71.6169.3000109T44 I45 A47 N56 I73 E159 A160L38-T44 CarbonylContact O-C 2.91Å; L38-T44 WeakPolarHBondContact O-CA 3.39Å; L38-I45 PolarHBondContact N-O 3.45Å; L38-I45 PolarHBondContact O-N 3.06Å; L38-A47 HydrophobicContact CD1-CB 3.65Å; L38-A47 HydrophobicContact CG-CB 3.73Å; L38-N56 WeakPolarHBondContact CD1-O 3.35Å; L38-I73 HydrophobicContact CB-CD1 4.37Å; L38-E159 HydrophobicContact CD2-CB 4.24Å; L38-E159 HydrophobicContact CD2-CG 3.75Å; L38-A160 HydrophobicContact CD2-CB 4.05Å; L38-A160 HydrophobicContact CG-CB 4.3Å
39T84.5Confident88.7Confident94 Ų9455.8 Ų55.858%0.57727%0.269SS*.EExtended strand (participates in β ladder)trans-112.2116175.4-54.60000109.7Q43 T44T39-Q43 CarbonylContact C-O 3.52Å; T39-Q43 WeakPolarHBondContact CA-O 3.47Å; T39-T44 WeakPolarHBondContact CG2-OG1 3.04Å; T39-T44 PolarHBondContact OG1-OG1 2.89Å; T39-T44 VanDerWaalsContact OG1-OG1 3.05Å
40L84Confident88.7Confident38 Ų3849.8 Ų49.820%0.19925%0.246CC..EExtended strand (participates in β ladder)trans-136.4132.9175.8-172.369.9000109.4Q42 Q43 Q71 I73L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 3.34Å; L40-Q43 PolarHBondContact N-O 3.28Å; L40-Q43 WeakPolarHBondContact O-CB 3.06Å; L40-Q43 PolarHBondContact O-N 2.71Å; L40-Q71 HydrophobicContact CD2-CB 4.11Å; L40-Q71 WeakPolarHBondContact CD2-O 2.96Å; L40-I73 HydrophobicContact CB-CD1 3.73Å; L40-I73 HydrophobicContact CB-CG1 3.82Å; L40-I73 HydrophobicContact CD2-CG1 3.91Å
41H81.3Confident88.6Confident116 Ų11646.8 Ų46.854%0.53723%0.231SC..THydrogen-bonded Turntrans45.353.2179.1-61.3-60.8000113.6Q43 Q71H41-Q43 PolarHBondContact O-N 2.89Å; H41-Q71 PolarHBondContact CD2-O 3.29Å
42Q78.9Confident88.7Confident186 Ų18647.2 Ų47.287%0.86923%0.232SC*.THydrogen-bonded Turntrans63.8-1-179-69.777.3300115.3L40L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 3.34Å
43Q82.7Confident88.7Confident117 Ų11746.6 Ų46.655%0.54723%0.229SC..EExtended strand (participates in β ladder)trans-95.1124.9174.3-167176.65.100109.8T39 L40 H41 I45T39-Q43 CarbonylContact C-O 3.52Å; T39-Q43 WeakPolarHBondContact CA-O 3.47Å; L40-Q43 PolarHBondContact N-O 3.28Å; L40-Q43 WeakPolarHBondContact O-CB 3.06Å; L40-Q43 PolarHBondContact O-N 2.71Å; H41-Q43 PolarHBondContact O-N 2.89Å; Q43-I45 HydrophobicContact CG-CD1 4.15Å; Q43-I45 HydrophobicContact CG-CG1 3.93Å
44T86.3Confident88.8Confident71 Ų7149.5 Ų49.544%0.43624%0.24SC..EExtended strand (participates in β ladder)trans-107.9122.8173.1-57.50000109.5E37 L38 T39E37-T44 HydrophobicContact CB-CG2 4.08Å; E37-T44 WeakPolarHBondContact OE2-CG2 3.29Å; L38-T44 CarbonylContact O-C 2.91Å; L38-T44 WeakPolarHBondContact O-CA 3.39Å; T39-T44 WeakPolarHBondContact CG2-OG1 3.04Å; T39-T44 PolarHBondContact OG1-OG1 2.89Å; T39-T44 VanDerWaalsContact OG1-OG1 3.05Å
45I88.2Confident88.9Confident19 Ų1949.7 Ų49.710%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-125.9137.3-178.6-55.3-174.6000108.6L38 Q43 A47 N56 I73 T75L38-I45 PolarHBondContact N-O 3.45Å; L38-I45 PolarHBondContact O-N 3.06Å; Q43-I45 HydrophobicContact CG-CD1 4.15Å; Q43-I45 HydrophobicContact CG-CG1 3.93Å; I45-A47 PolarHBondContact O-N 3.06Å; I45-N56 HydrophobicContact CG2-CB 4.18Å; I45-I73 HydrophobicContact CB-CD1 4.28Å; I45-I73 HydrophobicContact CD1-CB 3.94Å; I45-I73 HydrophobicContact CD1-CD1 3.88Å; I45-I73 HydrophobicContact CD1-CG2 3.88Å; I45-I73 HydrophobicContact CG1-CD1 3.99Å; I45-T75 HydrophobicContact CD1-CG2 3.93Å
46P89Confident89Confident42 Ų4247.3 Ų47.327%0.27323%0.232SC..EExtended strand (participates in β ladder)trans-66130.4174.827.4-35.3000110.6G36 Y48 N56G36-P46 CarbonylContact O-C 3.49Å; G36-P46 VanDerWaalsContact O-CA 3.29Å; G36-P46 WeakPolarHBondContact O-CA 2.95Å; P46-Y48 HydrophobicContact CB-CE2 4.12Å; P46-Y48 HydrophobicContact CG-CE2 4.29Å; P46-N56 PolarHBondContact O-ND2 3.24Å
47A90.4Very high89Confident0 Ų050 Ų500%024%0.242CC..EExtended strand (participates in β ladder)trans-101.1142.3171.500000110.4K35 G36 L38 I45 F49 A160K35-A47 CarbonylContact C-O 3.58Å; K35-A47 WeakPolarHBondContact CA-O 3.39Å; G36-A47 PolarHBondContact N-O 2.94Å; G36-A47 PolarHBondContact O-N 3.24Å; L38-A47 HydrophobicContact CD1-CB 3.65Å; L38-A47 HydrophobicContact CG-CB 3.73Å; I45-A47 PolarHBondContact O-N 3.06Å; A47-F49 HydrophobicContact CB-CE2 3.68Å; A47-F49 HydrophobicContact CB-CZ 3.75Å; A47-A160 HydrophobicContact CB-CB 4.17Å
48Y92.3Very high89Confident52 Ų5248.9 Ų48.920%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-121.7133.7177.2-59.2-81.6000110.1Y32 L34 K35 P46 R54 C55Y32-Y48 AromaticContact CD1-CD1 3.53Å; Y32-Y48 HydrophobicContact CD1-CD1 3.53Å; Y32-Y48 HydrophobicContact CD1-CD2 4.27Å; Y32-Y48 AromaticContact CD1-CE1 3.85Å; Y32-Y48 HydrophobicContact CD1-CE1 3.85Å; Y32-Y48 AromaticContact CD1-CG 3.74Å; Y32-Y48 HydrophobicContact CD1-CG 3.74Å; Y32-Y48 HydrophobicContact CE1-CD1 4.15Å; Y32-Y48 HydrophobicContact CE1-CD2 4.08Å; Y32-Y48 HydrophobicContact CE1-CE1 4.3Å; Y32-Y48 HydrophobicContact CE1-CE2 4.26Å; Y32-Y48 HydrophobicContact CE1-CG 4.01Å; L34-Y48 CarbonylContact O-C 2.91Å; L34-Y48 WeakPolarHBondContact O-CA 3.38Å; K35-Y48 HydrophobicContact CB-CD1 3.97Å; K35-Y48 HydrophobicContact CB-CE1 3.89Å; K35-Y48 HydrophobicContact CD-CE1 3.81Å; K35-Y48 HydrophobicContact CG-CD1 4.07Å; K35-Y48 HydrophobicContact CG-CE1 3.62Å; P46-Y48 HydrophobicContact CB-CE2 4.12Å; P46-Y48 HydrophobicContact CG-CE2 4.29Å; Y48-R54 CarbonylContact O-C 3.09Å; Y48-R54 VanDerWaalsContact O-CA 3.23Å; Y48-R54 WeakPolarHBondContact O-CA 3.34Å; Y48-C55 HydrophobicContact CD2-CB 4.29Å; Y48-C55 PolarHBondContact N-O 3.42Å; Y48-C55 PolarHBondContact O-N 2.79Å
49F92.9Very high88.8Confident6 Ų649.1 Ų49.13%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-124.9137.4-179-51.5-89.9000110.5P31 W33 L34 A47 R54 Y148 E156 A160P31-F49 CarbonylContact O-C 3.54Å; P31-F49 PolarHBondContact O-N 2.73Å; W33-F49 VanDerWaalsContact CB-O 3.31Å; W33-F49 WeakPolarHBondContact CB-O 3.26Å; W33-F49 PolarHBondContact N-O 3.44Å; L34-F49 HydrophobicContact CB-CB 4.26Å; L34-F49 HydrophobicContact CD2-CD2 4.29Å; L34-F49 PolarHBondContact N-O 2.89Å; L34-F49 PolarHBondContact O-N 3.29Å; A47-F49 HydrophobicContact CB-CE2 3.68Å; A47-F49 HydrophobicContact CB-CZ 3.75Å; F49-R54 HydrophobicContact CD1-CB 4.1Å; F49-Y148 PolarHBondContact O-OH 3.47Å; F49-Y148 VanDerWaalsContact O-OH 3.11Å; F49-E156 HydrophobicContact CE1-CB 4.22Å; F49-A160 HydrophobicContact CE2-CB 3.44Å; F49-A160 VanDerWaalsContact CE2-CB 3.44Å; F49-A160 HydrophobicContact CZ-CB 3.5Å
50N94.4Very high88.6Confident0 Ų048.8 Ų48.80%025%0.245CC..EExtended strand (participates in β ladder)trans-124.2164.4160.4178.6-8.3000106.8F28 M30 W33 F52 R53F28-N50 PolarHBondContact O-ND2 2.86Å; M30-N50 PolarHBondContact O-ND2 3.43Å; W33-N50 HydrophobicContact CG-CB 4.16Å; W33-N50 PolarHBondContact NE1-ND2 3Å; N50-F52 PolarHBondContact O-N 3.37Å; N50-F52 VanDerWaalsContact O-N 3.13Å; N50-R53 CarbonylContact C-O 3.08Å; N50-R53 HydrophobicContact CB-CB 4.39Å; N50-R53 PolarHBondContact N-O 3.44Å; N50-R53 PolarHBondContact O-N 3.28Å
51S93.1Very high88Confident0 Ų051 Ų510%026%0.256CS..THydrogen-bonded Turntrans-47.9-37.4-179.955.80000115I86 T95S51-I86 WeakPolarHBondContact O-CG2 3.47Å; S51-T95 VanDerWaalsContact CB-OG1 3.31Å; S51-T95 WeakPolarHBondContact CB-OG1 3.47Å; S51-T95 PolarHBondContact OG-OG1 3.26Å
52F94Very high87.3Confident21 Ų2152.4 Ų52.49%0.09226%0.263CS..THydrogen-bonded Turntrans-124.97.1-179.862.1-85.1000114.5F28 N50 R79 Y80 I86 T95F28-F52 HydrophobicContact CD1-CE1 4.46Å; F28-F52 HydrophobicContact CD1-CZ 4.39Å; F28-F52 HydrophobicContact CD2-CE1 4.06Å; F28-F52 HydrophobicContact CE1-CE1 4.02Å; F28-F52 HydrophobicContact CE1-CZ 4.04Å; F28-F52 HydrophobicContact CE2-CD1 4.3Å; F28-F52 AromaticContact CE2-CE1 3.58Å; F28-F52 HydrophobicContact CE2-CE1 3.58Å; F28-F52 HydrophobicContact CE2-CZ 4.39Å; F28-F52 HydrophobicContact CG-CE1 4.49Å; F28-F52 HydrophobicContact CZ-CD1 4.28Å; F28-F52 AromaticContact CZ-CE1 3.56Å; F28-F52 HydrophobicContact CZ-CE1 3.56Å; F28-F52 HydrophobicContact CZ-CZ 4.05Å; F28-F52 WeakPolarHBondContact O-CE1 3.4Å; F28-F52 WeakPolarHBondContact O-CZ 3.32Å; N50-F52 PolarHBondContact O-N 3.37Å; N50-F52 VanDerWaalsContact O-N 3.13Å; F52-R79 HydrophobicContact CD2-CG 4.2Å; F52-R79 WeakPolarHBondContact O-CG 3.42Å; F52-Y80 VanDerWaalsContact C-CD2 3.4Å; F52-Y80 VanDerWaalsContact O-CD2 3.24Å; F52-Y80 WeakPolarHBondContact O-CD2 3.32Å; F52-Y80 PolarHBondContact O-N 3.36Å; F52-I86 HydrophobicContact CB-CD1 4.15Å; F52-T95 HydrophobicContact CB-CG2 3.96Å; F52-T95 HydrophobicContact CD1-CG2 3.56Å; F52-T95 HydrophobicContact CE1-CG2 4.37Å; F52-T95 HydrophobicContact CG-CG2 3.96Å
53R94Very high86.6Confident53 Ų5344.9 Ų44.920%0.223%0.229CC..EExtended strand (participates in β ladder)trans-142.3150.3-177.8-78.3179.1-178.5-140.3-2.8111.6Y29 N50 G78 R79Y29-R53 VanDerWaalsContact CE1-NH1 3.34Å; Y29-R53 PolarHBondContact OH-NH1 3.26Å; Y29-R53 PolarHBondContact OH-NH2 2.88Å; N50-R53 CarbonylContact C-O 3.08Å; N50-R53 HydrophobicContact CB-CB 4.39Å; N50-R53 PolarHBondContact N-O 3.44Å; N50-R53 PolarHBondContact O-N 3.28Å; R53-G78 WeakPolarHBondContact CA-O 3.29Å; R53-R79 HydrophobicContact CG-CB 4.04Å; R53-R79 HydrophobicContact CG-CG 4.2Å
54R93.6Very high85.9Confident62 Ų6246.9 Ų46.923%0.23425%0.25CC..EExtended strand (participates in β ladder)trans-140.5150.4172.464.2-174.9-176.7-162.8-0.3111.1Y48 F49 Y57 C77 G78 E156Y48-R54 CarbonylContact O-C 3.09Å; Y48-R54 VanDerWaalsContact O-CA 3.23Å; Y48-R54 WeakPolarHBondContact O-CA 3.34Å; F49-R54 HydrophobicContact CD1-CB 4.1Å; R54-Y57 HydrophobicContact CG-CD1 4.47Å; R54-C77 CarbonylContact O-C 3.58Å; R54-C77 WeakPolarHBondContact O-CA 3.39Å; R54-G78 PolarHBondContact N-O 3.28Å; R54-G78 PolarHBondContact O-N 3.42Å; R54-E156 IonicContact CZ-OE1 2.76Å; R54-E156 IonicContact CZ-OE2 2.73Å; R54-E156 IonicContact NH1-OE1 3.84Å; R54-E156 PolarHBondContact NH1-OE1 3.05Å; R54-E156 IonicContact NH1-OE2 2.98Å; R54-E156 PolarHBondContact NH1-OE2 3.46Å
55C93.5Very high84.9Confident3 Ų346.6 Ų46.62%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-119.2139.5170-57.80000109.6P31 Y48 K76 C77P31-C55 VanDerWaalsContact CB-SG 3.52Å; P31-C55 WeakPolarHBondContact CG-SG 2.97Å; Y48-C55 HydrophobicContact CD2-CB 4.29Å; Y48-C55 PolarHBondContact N-O 3.42Å; Y48-C55 PolarHBondContact O-N 2.79Å; C55-K76 WeakPolarHBondContact CA-O 3.33Å; C55-C77 HydrophobicContact CB-CB 4.08Å; C55-C77 WeakPolarHBondContact CB-SG 3.27Å; C55-C77 WeakPolarHBondContact SG-CB 3.36Å; C55-C77 CovalentContact SG-SG 2.04Å; C55-C77 PolarHBondContact SG-SG 3.43Å
56N92.1Very high83.9Confident24 Ų2457.3 Ų57.313%0.12829%0.292CS..EExtended strand (participates in β ladder)trans63.799-176.9-48.6-39.3000110.5L38 I45 P46 I73 I74 T75 K76L38-N56 WeakPolarHBondContact CD1-O 3.35Å; I45-N56 HydrophobicContact CG2-CB 4.18Å; P46-N56 PolarHBondContact O-ND2 3.24Å; N56-I73 HydrophobicContact CB-CG2 4.31Å; N56-I74 WeakPolarHBondContact CA-O 3.26Å; N56-T75 WeakPolarHBondContact OD1-CA 3.23Å; N56-K76 PolarHBondContact N-O 3.38Å
57Y89.6Confident82.6Confident58 Ų5861.8 Ų61.823%0.22731%0.309CS..EExtended strand (participates in β ladder)trans-133.7150.2-176.658.2-87.7000110.9R54 G59 I74R54-Y57 HydrophobicContact CG-CD1 4.47Å; Y57-G59 PolarHBondContact O-N 2.87Å; Y57-I74 HydrophobicContact CD2-CB 4.45Å; Y57-I74 HydrophobicContact CD2-CD1 4.49Å; Y57-I74 HydrophobicContact CE1-CB 4.4Å; Y57-I74 HydrophobicContact CE1-CG2 4.2Å; Y57-I74 HydrophobicContact CE2-CB 4.09Å; Y57-I74 HydrophobicContact CE2-CD1 3.75Å; Y57-I74 HydrophobicContact CE2-CG1 4.41Å; Y57-I74 HydrophobicContact CE2-CG2 4.38Å; Y57-I74 PolarHBondContact N-O 2.83Å; Y57-I74 PolarHBondContact O-N 3.11Å
58P85.9Confident81.8Confident55 Ų5566.6 Ų66.636%0.35734%0.343SS..EExtended strand (participates in β ladder)trans-66.7131.3174.628.2-33.4000109.4
59G84.3Confident80.8Confident15 Ų1570.1 Ų70.116%0.15536%0.36CS..EExtended strand (participates in β ladder)trans-141.2164.5173.800000110.8Y57 V72Y57-G59 PolarHBondContact O-N 2.87Å; G59-V72 PolarHBondContact N-O 2.8Å; G59-V72 PolarHBondContact O-N 2.82Å
60T79.5Confident80.1Confident87 Ų8775.5 Ų75.553%0.53438%0.383SS..EExtended strand (participates in β ladder)trans-101.7121.1173.651.90000108.2Q71T60-Q71 HydrophobicContact CG2-CG 4.26Å
61I72.4Confident79.4Confident85 Ų8581 Ų8144%0.43641%0.408SS..EExtended strand (participates in β ladder)trans-89.4133.8162.354.6174.2000107.6P63 K70 V72I61-P63 VanDerWaalsContact O-CD 3.29Å; I61-P63 WeakPolarHBondContact O-CD 3.11Å; I61-K70 PolarHBondContact N-O 3.39Å; I61-V72 HydrophobicContact CB-CG2 4.15Å; I61-V72 HydrophobicContact CD1-CB 4.42Å; I61-V72 HydrophobicContact CD1-CG1 3.65Å; I61-V72 HydrophobicContact CD1-CG2 3.97Å; I61-V72 HydrophobicContact CG1-CB 4.4Å; I61-V72 HydrophobicContact CG1-CG1 3.8Å; I61-V72 HydrophobicContact CG1-CG2 3.68Å; I61-V72 HydrophobicContact CG2-CG2 3.61Å
62Q65.7Low79Confident145 Ų14582.4 Ų82.468%0.67842%0.417SS*.  trans-79.2115165.7-166.3144.513.100106.5F69Q62-F69 HydrophobicContact CB-CE1 4.21Å; Q62-F69 HydrophobicContact CG-CE1 4.11Å
63P65.4Low78.6Confident27 Ų2782.4 Ų82.418%0.17542%0.418CS..  trans-60.8149173.624.1-30.2000109.4I61 S65 E67I61-P63 VanDerWaalsContact O-CD 3.29Å; I61-P63 WeakPolarHBondContact O-CD 3.11Å; P63-S65 PolarHBondContact O-N 3.38Å; P63-E67 HydrophobicContact CB-CB 3.99Å; P63-E67 HydrophobicContact CG-CB 3.52Å; P63-E67 WeakPolarHBondContact CG-O 3.13Å
64T67.4Low78.2Confident159 Ų15981.9 Ų81.998%0.97542%0.418SS*.SBendtrans-67.1-17.1178.3440000112.8
65S64.5Low78Confident65 Ų6583.6 Ų83.646%0.45544%0.436SS..SBendtrans-103.217017655.20000111.4P63 E67P63-S65 PolarHBondContact O-N 3.38Å; S65-E67 PolarHBondContact O-N 2.79Å
66Y67Low77.9Confident245 Ų24590.3 Ų90.396%0.96147%0.465SS*.SBendtrans-6428.2176.7-147.9-94.8000114
67E63.4Low77.9Confident135 Ų13593.2 Ų93.263%0.63149%0.486SS*.PPolyproline II helixtrans-81.6149173.9-76.7-175.3178.600111P63 S65P63-E67 HydrophobicContact CB-CB 3.99Å; P63-E67 HydrophobicContact CG-CB 3.52Å; P63-E67 WeakPolarHBondContact CG-O 3.13Å; S65-E67 PolarHBondContact O-N 2.79Å
68S72.2Confident77.9Confident102 Ų10291.6 Ų91.671%0.71349%0.488SS*.PPolyproline II helixtrans-58.7148.217455.30000111.7K70S68-K70 PolarHBondContact O-N 2.84Å
69F73Confident78.2Confident126 Ų12696.6 Ų96.655%0.55350%0.499SS*.PPolyproline II helixtrans-46.4116.6171.7-69.9-85.7000111.2Q62Q62-F69 HydrophobicContact CB-CE1 4.21Å; Q62-F69 HydrophobicContact CG-CE1 4.11Å
70K77Confident78.6Confident119 Ų11996.7 Ų96.752%0.51750%0.495SS..EExtended strand (participates in β ladder)trans-95.4124.3175.1-171.9176.3178.9178.60109.1I61 S68 V72I61-K70 PolarHBondContact N-O 3.39Å; S68-K70 PolarHBondContact O-N 2.84Å; K70-V72 HydrophobicContact CD-CG1 4.29Å; K70-V72 HydrophobicContact CG-CG1 4.1Å; K70-V72 PolarHBondContact O-N 3.06Å
71Q80Confident79.1Confident114 Ų11496.3 Ų96.353%0.53350%0.501SS..EExtended strand (participates in β ladder)trans-70.4125.7168.2-70.8-176-28.800108.6L40 H41 T60L40-Q71 HydrophobicContact CD2-CB 4.11Å; L40-Q71 WeakPolarHBondContact CD2-O 2.96Å; H41-Q71 PolarHBondContact CD2-O 3.29Å; T60-Q71 HydrophobicContact CG2-CG 4.26Å
72V85.2Confident80.1Confident31 Ų3195.7 Ų95.719%0.18850%0.501CS..EExtended strand (participates in β ladder)trans-131.4153.5176.6-630000109.5G59 I61 K70 I74G59-V72 PolarHBondContact N-O 2.8Å; G59-V72 PolarHBondContact O-N 2.82Å; I61-V72 HydrophobicContact CB-CG2 4.15Å; I61-V72 HydrophobicContact CD1-CB 4.42Å; I61-V72 HydrophobicContact CD1-CG1 3.65Å; I61-V72 HydrophobicContact CD1-CG2 3.97Å; I61-V72 HydrophobicContact CG1-CB 4.4Å; I61-V72 HydrophobicContact CG1-CG1 3.8Å; I61-V72 HydrophobicContact CG1-CG2 3.68Å; I61-V72 HydrophobicContact CG2-CG2 3.61Å; K70-V72 HydrophobicContact CD-CG1 4.29Å; K70-V72 HydrophobicContact CG-CG1 4.1Å; K70-V72 PolarHBondContact O-N 3.06Å; V72-I74 HydrophobicContact CG2-CG1 4.48Å; V72-I74 PolarHBondContact O-N 3.13Å
73I84Confident81.3Confident20 Ų2093.2 Ų93.210%0.10349%0.488CS..EExtended strand (participates in β ladder)trans-82.6114.8171.4-57.4170.8000107.5L38 L40 I45 N56 T75L38-I73 HydrophobicContact CB-CD1 4.37Å; L40-I73 HydrophobicContact CB-CD1 3.73Å; L40-I73 HydrophobicContact CB-CG1 3.82Å; L40-I73 HydrophobicContact CD2-CG1 3.91Å; I45-I73 HydrophobicContact CB-CD1 4.28Å; I45-I73 HydrophobicContact CD1-CB 3.94Å; I45-I73 HydrophobicContact CD1-CD1 3.88Å; I45-I73 HydrophobicContact CD1-CG2 3.88Å; I45-I73 HydrophobicContact CG1-CD1 3.99Å; N56-I73 HydrophobicContact CB-CG2 4.31Å; I73-T75 PolarHBondContact O-N 2.98Å
74I86.7Confident82.7Confident42 Ų4297.7 Ų97.722%0.21551%0.511CS..EExtended strand (participates in β ladder)trans-78.8109.7175.2-61.4177.5000107.8N56 Y57 V72 K76N56-I74 WeakPolarHBondContact CA-O 3.26Å; Y57-I74 HydrophobicContact CD2-CB 4.45Å; Y57-I74 HydrophobicContact CD2-CD1 4.49Å; Y57-I74 HydrophobicContact CE1-CB 4.4Å; Y57-I74 HydrophobicContact CE1-CG2 4.2Å; Y57-I74 HydrophobicContact CE2-CB 4.09Å; Y57-I74 HydrophobicContact CE2-CD1 3.75Å; Y57-I74 HydrophobicContact CE2-CG1 4.41Å; Y57-I74 HydrophobicContact CE2-CG2 4.38Å; Y57-I74 PolarHBondContact N-O 2.83Å; Y57-I74 PolarHBondContact O-N 3.11Å; V72-I74 HydrophobicContact CG2-CG1 4.48Å; V72-I74 PolarHBondContact O-N 3.13Å; I74-K76 HydrophobicContact CG2-CB 3.97Å; I74-K76 HydrophobicContact CG2-CD 4.15Å; I74-K76 HydrophobicContact CG2-CG 3.94Å; I74-K76 PolarHBondContact O-N 2.72Å
75T89Confident83.9Confident99 Ų9994 Ų9461%0.60749%0.485SS*.EExtended strand (participates in β ladder)trans-79.353-178.750.90000113I45 N56 I73I45-T75 HydrophobicContact CD1-CG2 3.93Å; N56-T75 WeakPolarHBondContact OD1-CA 3.23Å; I73-T75 PolarHBondContact O-N 2.98Å
76K90.8Very high85.3Confident143 Ų14391.2 Ų91.262%0.62247%0.465SS*.EExtended strand (participates in β ladder)trans-129.1158.4179.4-62.4-174.6178.7178.40110.6C55 N56 I74C55-K76 WeakPolarHBondContact CA-O 3.33Å; N56-K76 PolarHBondContact N-O 3.38Å; I74-K76 HydrophobicContact CG2-CB 3.97Å; I74-K76 HydrophobicContact CG2-CD 4.15Å; I74-K76 HydrophobicContact CG2-CG 3.94Å; I74-K76 PolarHBondContact O-N 2.72Å
77C92.3Very high86.4Confident85 Ų8581.9 Ų81.957%0.57443%0.434SS*.EExtended strand (participates in β ladder)trans-94.2132.7168.3-62.30000110R54 C55R54-C77 CarbonylContact O-C 3.58Å; R54-C77 WeakPolarHBondContact O-CA 3.39Å; C55-C77 HydrophobicContact CB-CB 4.08Å; C55-C77 WeakPolarHBondContact CB-SG 3.27Å; C55-C77 WeakPolarHBondContact SG-CB 3.36Å; C55-C77 CovalentContact SG-SG 2.04Å; C55-C77 PolarHBondContact SG-SG 3.43Å
78G90.5Very high87.8Confident25 Ų2576.5 Ų76.526%0.25841%0.411SS..EExtended strand (participates in β ladder)trans-133.8151.8179.600000112R53 R54R53-G78 WeakPolarHBondContact CA-O 3.29Å; R54-G78 PolarHBondContact N-O 3.28Å; R54-G78 PolarHBondContact O-N 3.42Å
79R93Very high88.9Confident159 Ų15977.1 Ų77.160%0.641%0.405SS*.EExtended strand (participates in β ladder)trans-96.1147.4165.5-172.6178.862.993.7-4.8108.2F52 R53F52-R79 HydrophobicContact CD2-CG 4.2Å; F52-R79 WeakPolarHBondContact O-CG 3.42Å; R53-R79 HydrophobicContact CG-CB 4.04Å; R53-R79 HydrophobicContact CG-CG 4.2Å
80Y92.3Very high90Very high17 Ų1776.2 Ų76.27%0.06740%0.398CS..  trans-58.9137.1167.1-61.4-74.1000110F52 D85 I86 P87 E156F52-Y80 VanDerWaalsContact C-CD2 3.4Å; F52-Y80 VanDerWaalsContact O-CD2 3.24Å; F52-Y80 WeakPolarHBondContact O-CD2 3.32Å; F52-Y80 PolarHBondContact O-N 3.36Å; Y80-D85 HydrophobicContact CD1-CB 4.21Å; Y80-D85 WeakPolarHBondContact CD1-O 3.31Å; Y80-D85 HydrophobicContact CG-CB 4.43Å; Y80-I86 HydrophobicContact CD2-CG1 3.84Å; Y80-I86 HydrophobicContact CG-CG1 4.23Å; Y80-P87 HydrophobicContact CE1-CG 4.01Å; Y80-P87 VanDerWaalsContact CZ-CD 3.4Å; Y80-P87 WeakPolarHBondContact OH-CD 3.2Å; Y80-P87 WeakPolarHBondContact OH-CG 3.49Å; Y80-E156 PolarHBondContact OH-OE2 2.93Å
81A89.8Confident90.9Very high79 Ų7970.6 Ų70.665%0.65337%0.374SS*.SBendtrans-64.2-46.9-172.200000110.8
82T93.7Very high91.7Very high72 Ų7266.9 Ų66.944%0.44236%0.356SS..SBendtrans-117.4166.8176.170.90000111.4D84 D85T82-D84 PolarHBondContact O-N 3.48Å; T82-D84 PolarHBondContact OG1-N 3.48Å; T82-D85 WeakPolarHBondContact CB-OD2 3.37Å; T82-D85 PolarHBondContact N-OD2 2.78Å; T82-D85 PolarHBondContact O-N 3.31Å; T82-D85 PolarHBondContact OG1-N 3.4Å; T82-D85 PolarHBondContact OG1-OD2 2.85Å
83F91.3Very high92.3Very high93 Ų9367.8 Ų67.841%0.40836%0.359SS..SBendtrans-65.6-27.6174.2-171.3-104.4000111.8I86 K92 I96F83-I86 HydrophobicContact CD2-CD1 3.65Å; F83-I86 HydrophobicContact CE2-CD1 3.84Å; F83-I86 HydrophobicContact CG-CD1 4.34Å; F83-I86 WeakPolarHBondContact O-CB 3.36Å; F83-I86 WeakPolarHBondContact O-CG1 3.46Å; F83-I86 PolarHBondContact O-N 3.21Å; F83-K92 HydrophobicContact CD1-CD 4.19Å; F83-K92 HydrophobicContact CD1-CG 4.34Å; F83-K92 HydrophobicContact CE1-CB 3.77Å; F83-K92 HydrophobicContact CE1-CD 3.79Å; F83-K92 HydrophobicContact CE1-CG 3.78Å; F83-K92 HydrophobicContact CE2-CB 4.24Å; F83-K92 HydrophobicContact CE2-CG 4.39Å; F83-K92 HydrophobicContact CZ-CB 3.46Å; F83-K92 VanDerWaalsContact CZ-CB 3.46Å; F83-K92 HydrophobicContact CZ-CD 4.34Å; F83-K92 HydrophobicContact CZ-CG 3.81Å; F83-K92 VanDerWaalsContact O-CE 3.23Å; F83-K92 WeakPolarHBondContact O-CE 3.41Å; F83-I96 HydrophobicContact CE1-CD1 4.26Å; F83-I96 HydrophobicContact CE2-CD1 4.12Å; F83-I96 HydrophobicContact CE2-CG1 4.01Å; F83-I96 HydrophobicContact CZ-CD1 3.48Å; F83-I96 VanDerWaalsContact CZ-CD1 3.48Å; F83-I96 HydrophobicContact CZ-CG1 3.87Å
84D92.9Very high92.9Very high121 Ų12166.9 Ų66.965%0.64736%0.355SS*.THydrogen-bonded Turntrans-76.3-24.6-178.6-75.5-42.4000114.5T82 I86 K92T82-D84 PolarHBondContact O-N 3.48Å; T82-D84 PolarHBondContact OG1-N 3.48Å; D84-I86 PolarHBondContact O-N 2.85Å; D84-K92 PolarHBondContact O-NZ 2.81Å; D84-K92 IonicContact OD1-NZ 2.85Å; D84-K92 PolarHBondContact OD1-NZ 3.18Å
85D93Very high93.3Very high82 Ų8265.8 Ų65.844%0.43935%0.35SS..THydrogen-bonded Turntrans-68.6-11.7173.7-62-40.3000113Y80 T82 P87Y80-D85 HydrophobicContact CD1-CB 4.21Å; Y80-D85 WeakPolarHBondContact CD1-O 3.31Å; Y80-D85 HydrophobicContact CG-CB 4.43Å; T82-D85 WeakPolarHBondContact CB-OD2 3.37Å; T82-D85 PolarHBondContact N-OD2 2.78Å; T82-D85 PolarHBondContact O-N 3.31Å; T82-D85 PolarHBondContact OG1-N 3.4Å; T82-D85 PolarHBondContact OG1-OD2 2.85Å; D85-P87 WeakPolarHBondContact O-CD 3.23Å
86I93.9Very high93.8Very high7 Ų765 Ų654%0.03634%0.341CS..SBendtrans-65.3121.2174.8-61.8174.4000108.9S51 F52 Y80 F83 D84 T88 W91 K92S51-I86 WeakPolarHBondContact O-CG2 3.47Å; F52-I86 HydrophobicContact CB-CD1 4.15Å; Y80-I86 HydrophobicContact CD2-CG1 3.84Å; Y80-I86 HydrophobicContact CG-CG1 4.23Å; F83-I86 HydrophobicContact CD2-CD1 3.65Å; F83-I86 HydrophobicContact CE2-CD1 3.84Å; F83-I86 HydrophobicContact CG-CD1 4.34Å; F83-I86 WeakPolarHBondContact O-CB 3.36Å; F83-I86 WeakPolarHBondContact O-CG1 3.46Å; F83-I86 PolarHBondContact O-N 3.21Å; D84-I86 PolarHBondContact O-N 2.85Å; I86-T88 VanDerWaalsContact C-N 3.27Å; I86-T88 PolarHBondContact O-N 3.2Å; I86-W91 HydrophobicContact CG2-CB 3.64Å; I86-K92 HydrophobicContact CB-CG 3.69Å; I86-K92 HydrophobicContact CD1-CG 4.23Å; I86-K92 HydrophobicContact CG2-CG 3.74Å; I86-K92 VanDerWaalsContact O-CE 3.26Å; I86-K92 WeakPolarHBondContact O-CE 3.4Å
87P90.2Very high94.1Very high48 Ų4859.3 Ų59.331%0.31232%0.318SS..SBendtrans-60.1-23.7-164.5-31.636000117.5Y80 D85 W91 N154 E156Y80-P87 HydrophobicContact CE1-CG 4.01Å; Y80-P87 VanDerWaalsContact CZ-CD 3.4Å; Y80-P87 WeakPolarHBondContact OH-CD 3.2Å; Y80-P87 WeakPolarHBondContact OH-CG 3.49Å; D85-P87 WeakPolarHBondContact O-CD 3.23Å; P87-W91 HydrophobicContact CB-CE3 4.32Å; P87-W91 HydrophobicContact CB-CZ3 4.27Å; P87-W91 HydrophobicContact CG-CE3 4.13Å; P87-W91 HydrophobicContact CG-CZ3 3.93Å; P87-N154 HydrophobicContact CB-CB 4.3Å; P87-N154 VanDerWaalsContact CB-ND2 3.31Å; P87-N154 WeakPolarHBondContact CB-ND2 3.24Å; P87-E156 VanDerWaalsContact CG-CD 3.44Å; P87-E156 HydrophobicContact CG-CG 4.18Å; P87-E156 VanDerWaalsContact CG-OE1 3.23Å; P87-E156 WeakPolarHBondContact CG-OE1 3.31Å
88T93.5Very high94.3Very high23 Ų2355.2 Ų55.214%0.14129%0.291CS..  trans-138.6150.1-176.9690000111.8I86 W90 W91 K92 N154I86-T88 VanDerWaalsContact C-N 3.27Å; I86-T88 PolarHBondContact O-N 3.2Å; T88-W90 PolarHBondContact O-N 2.91Å; T88-W91 PolarHBondContact O-N 3.49Å; T88-W91 WeakPolarHBondContact OG1-CB 3.33Å; T88-W91 VanDerWaalsContact OG1-CG 3.28Å; T88-W91 PolarHBondContact OG1-N 2.86Å; T88-K92 WeakPolarHBondContact O-CG 2.97Å; T88-K92 PolarHBondContact O-N 3.28Å; T88-N154 HydrophobicContact CG2-CB 3.49Å; T88-N154 VanDerWaalsContact CG2-CB 3.49Å
89L95Very high94.7Very high115 Ų11554.6 Ų54.660%0.60228%0.284SS*.Hα-helixtrans-57.6-37.4170.1-179.361.6000111.8W91 K92 I93L89-W91 PolarHBondContact O-N 3.46Å; L89-K92 WeakPolarHBondContact O-CB 3.34Å; L89-K92 PolarHBondContact O-N 2.94Å; L89-I93 HydrophobicContact CD1-CD1 4.15Å; L89-I93 HydrophobicContact CD1-CG1 4.22Å; L89-I93 HydrophobicContact CD2-CD1 4.49Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 HydrophobicContact CG-CG1 4.4Å; L89-I93 WeakPolarHBondContact O-CG1 3.43Å; L89-I93 PolarHBondContact O-N 3.29Å
90W95.5Very high94.9Very high107 Ų10750.5 Ų50.541%0.40527%0.273SS..Hα-helixtrans-63.3-40.9179.6-56.9121.4000112.5T88 I93 T94 M147 L150T88-W90 PolarHBondContact O-N 2.91Å; W90-I93 HydrophobicContact CE3-CD1 4.44Å; W90-T94 VanDerWaalsContact O-CB 3.32Å; W90-T94 WeakPolarHBondContact O-CB 3.02Å; W90-T94 PolarHBondContact O-N 3.41Å; W90-T94 PolarHBondContact O-OG1 3.2Å; W90-M147 HydrophobicContact CE3-CE 3.56Å; W90-M147 HydrophobicContact CZ3-CE 3.67Å; W90-L150 HydrophobicContact CB-CB 4.05Å; W90-L150 HydrophobicContact CD2-CB 3.85Å; W90-L150 HydrophobicContact CD2-CD1 3.97Å; W90-L150 HydrophobicContact CE3-CB 4.47Å; W90-L150 HydrophobicContact CE3-CD1 3.81Å; W90-L150 HydrophobicContact CG-CB 3.62Å; W90-L150 HydrophobicContact CH2-CD1 4.35Å; W90-L150 HydrophobicContact CZ2-CD1 4.48Å; W90-L150 HydrophobicContact CZ3-CD1 4.02Å
91W96.2Very high95.2Very high0 Ų049.7 Ų49.70%027%0.27CS..Hα-helixtrans-71.8-34.3174.8-69.8-0.5000112.6I86 P87 T88 L89 T94 T95 Y148 N154I86-W91 HydrophobicContact CG2-CB 3.64Å; P87-W91 HydrophobicContact CB-CE3 4.32Å; P87-W91 HydrophobicContact CB-CZ3 4.27Å; P87-W91 HydrophobicContact CG-CE3 4.13Å; P87-W91 HydrophobicContact CG-CZ3 3.93Å; T88-W91 PolarHBondContact O-N 3.49Å; T88-W91 WeakPolarHBondContact OG1-CB 3.33Å; T88-W91 VanDerWaalsContact OG1-CG 3.28Å; T88-W91 PolarHBondContact OG1-N 2.86Å; L89-W91 PolarHBondContact O-N 3.46Å; W91-T94 PolarHBondContact O-N 3.3Å; W91-T95 WeakPolarHBondContact O-CB 3.4Å; W91-T95 PolarHBondContact O-N 3.13Å; W91-T95 PolarHBondContact O-OG1 3.47Å; W91-Y148 AromaticContact CD1-CD2 3.67Å; W91-Y148 AromaticContact CD1-CE2 3.88Å; W91-Y148 HydrophobicContact CD2-CE2 4.43Å; W91-Y148 AromaticContact CE2-CE2 3.95Å; W91-Y148 HydrophobicContact CG-CD2 4.45Å; W91-Y148 HydrophobicContact CG-CE2 4.41Å; W91-Y148 AromaticContact NE1-CD2 3.65Å; W91-Y148 AromaticContact NE1-CE2 3.56Å; W91-Y148 PolarHBondContact NE1-O 3.45Å; W91-N154 VanDerWaalsContact CH2-ND2 3.29Å; W91-N154 WeakPolarHBondContact CH2-ND2 3.06Å; W91-N154 WeakPolarHBondContact CZ3-ND2 3.37Å
92K97.3Very high95.6Very high36 Ų3646.1 Ų46.116%0.15724%0.241CC..Hα-helixtrans-57.8-52.6170.3-73.4-179.3-173.3-168.50110.9F83 D84 I86 T88 L89 T95 I96F83-K92 HydrophobicContact CD1-CD 4.19Å; F83-K92 HydrophobicContact CD1-CG 4.34Å; F83-K92 HydrophobicContact CE1-CB 3.77Å; F83-K92 HydrophobicContact CE1-CD 3.79Å; F83-K92 HydrophobicContact CE1-CG 3.78Å; F83-K92 HydrophobicContact CE2-CB 4.24Å; F83-K92 HydrophobicContact CE2-CG 4.39Å; F83-K92 HydrophobicContact CZ-CB 3.46Å; F83-K92 VanDerWaalsContact CZ-CB 3.46Å; F83-K92 HydrophobicContact CZ-CD 4.34Å; F83-K92 HydrophobicContact CZ-CG 3.81Å; F83-K92 VanDerWaalsContact O-CE 3.23Å; F83-K92 WeakPolarHBondContact O-CE 3.41Å; D84-K92 PolarHBondContact O-NZ 2.81Å; D84-K92 IonicContact OD1-NZ 2.85Å; D84-K92 PolarHBondContact OD1-NZ 3.18Å; I86-K92 HydrophobicContact CB-CG 3.69Å; I86-K92 HydrophobicContact CD1-CG 4.23Å; I86-K92 HydrophobicContact CG2-CG 3.74Å; I86-K92 VanDerWaalsContact O-CE 3.26Å; I86-K92 WeakPolarHBondContact O-CE 3.4Å; T88-K92 WeakPolarHBondContact O-CG 2.97Å; T88-K92 PolarHBondContact O-N 3.28Å; L89-K92 WeakPolarHBondContact O-CB 3.34Å; L89-K92 PolarHBondContact O-N 2.94Å; K92-T95 WeakPolarHBondContact O-CB 3.29Å; K92-T95 PolarHBondContact O-N 3.38Å; K92-I96 PolarHBondContact O-N 2.97Å
93I97.1Very high95.8Very high51 Ų5146.3 Ų46.326%0.26225%0.245SC..Hα-helixtrans-63.9-44.8179-62.2166.7000110.8L89 W90 T95 I96 V97 M147L89-I93 HydrophobicContact CD1-CD1 4.15Å; L89-I93 HydrophobicContact CD1-CG1 4.22Å; L89-I93 HydrophobicContact CD2-CD1 4.49Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 HydrophobicContact CG-CG1 4.4Å; L89-I93 WeakPolarHBondContact O-CG1 3.43Å; L89-I93 PolarHBondContact O-N 3.29Å; W90-I93 HydrophobicContact CE3-CD1 4.44Å; I93-T95 VanDerWaalsContact C-N 3.28Å; I93-T95 PolarHBondContact O-N 2.84Å; I93-I96 PolarHBondContact O-N 2.95Å; I93-V97 HydrophobicContact CG2-CG2 3.78Å; I93-V97 WeakPolarHBondContact O-CB 3.42Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 2.89Å; I93-M147 HydrophobicContact CB-CE 3.83Å; I93-M147 HydrophobicContact CD1-CE 3.78Å; I93-M147 HydrophobicContact CG1-CE 4.41Å; I93-M147 HydrophobicContact CG2-CE 3.4Å; I93-M147 VanDerWaalsContact CG2-CE 3.4Å; I93-M147 HydrophobicContact CG2-SD 3.65Å
94T96.8Very high96.1Very high0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-53.4-46.4175.6-61.70000111.3W33 W90 W91 I96 V97 V98 G144 Y148W33-T94 HydrophobicContact CH2-CG2 3.99Å; W33-T94 HydrophobicContact CZ3-CG2 3.69Å; W90-T94 VanDerWaalsContact O-CB 3.32Å; W90-T94 WeakPolarHBondContact O-CB 3.02Å; W90-T94 PolarHBondContact O-N 3.41Å; W90-T94 PolarHBondContact O-OG1 3.2Å; W91-T94 PolarHBondContact O-N 3.3Å; T94-I96 PolarHBondContact O-N 3.37Å; T94-V97 PolarHBondContact O-N 3.21Å; T94-V98 HydrophobicContact CG2-CG2 4.14Å; T94-V98 WeakPolarHBondContact O-CB 3.24Å; T94-V98 WeakPolarHBondContact O-CG2 3.28Å; T94-V98 PolarHBondContact O-N 3.17Å; T94-G144 WeakPolarHBondContact CG2-O 3.36Å; T94-G144 PolarHBondContact OG1-O 2.9Å; T94-Y148 HydrophobicContact CG2-CD2 4.17Å; T94-Y148 PolarHBondContact OG1-N 2.95Å
95T96.3Very high96.3Very high19 Ų1937.9 Ų37.912%0.11720%0.204CC..Hα-helixtrans-59.6-46.8179.9-58.50000111.4F28 S51 F52 W91 K92 I93 G99F28-T95 WeakPolarHBondContact CE2-O 3.32Å; F28-T95 HydrophobicContact CZ-CG2 4.3Å; S51-T95 VanDerWaalsContact CB-OG1 3.31Å; S51-T95 WeakPolarHBondContact CB-OG1 3.47Å; S51-T95 PolarHBondContact OG-OG1 3.26Å; F52-T95 HydrophobicContact CB-CG2 3.96Å; F52-T95 HydrophobicContact CD1-CG2 3.56Å; F52-T95 HydrophobicContact CE1-CG2 4.37Å; F52-T95 HydrophobicContact CG-CG2 3.96Å; W91-T95 WeakPolarHBondContact O-CB 3.4Å; W91-T95 PolarHBondContact O-N 3.13Å; W91-T95 PolarHBondContact O-OG1 3.47Å; K92-T95 WeakPolarHBondContact O-CB 3.29Å; K92-T95 PolarHBondContact O-N 3.38Å; I93-T95 VanDerWaalsContact C-N 3.28Å; I93-T95 PolarHBondContact O-N 2.84Å; T95-G99 WeakPolarHBondContact O-CA 3.31Å; T95-G99 PolarHBondContact O-N 2.9Å
96I97.6Very high96.5Very high84 Ų8437.2 Ų37.243%0.43120%0.2SC..Hα-helixtrans-65.8-50.9179.7-66.2171.6000110.3F83 K92 I93 T94 G99 I100F83-I96 HydrophobicContact CE1-CD1 4.26Å; F83-I96 HydrophobicContact CE2-CD1 4.12Å; F83-I96 HydrophobicContact CE2-CG1 4.01Å; F83-I96 HydrophobicContact CZ-CD1 3.48Å; F83-I96 VanDerWaalsContact CZ-CD1 3.48Å; F83-I96 HydrophobicContact CZ-CG1 3.87Å; K92-I96 PolarHBondContact O-N 2.97Å; I93-I96 PolarHBondContact O-N 2.95Å; T94-I96 PolarHBondContact O-N 3.37Å; I96-G99 PolarHBondContact O-N 2.88Å; I96-I100 HydrophobicContact CG2-CD1 3.79Å; I96-I100 HydrophobicContact CG2-CG1 4.46Å; I96-I100 VanDerWaalsContact O-CG1 3.31Å; I96-I100 WeakPolarHBondContact O-CG1 3.46Å; I96-I100 PolarHBondContact O-N 2.95Å
97V97.7Very high96.6Very high22 Ų2242 Ų4213%0.13322%0.221CC..Hα-helixtrans-65.5-49.2-173.2164.80000111.4I93 T94 G99 I100 G101 F140 V143I93-V97 HydrophobicContact CG2-CG2 3.78Å; I93-V97 WeakPolarHBondContact O-CB 3.42Å; I93-V97 WeakPolarHBondContact O-CG2 3.42Å; I93-V97 PolarHBondContact O-N 2.89Å; T94-V97 PolarHBondContact O-N 3.21Å; V97-G99 VanDerWaalsContact C-N 3.3Å; V97-G99 PolarHBondContact O-N 3.06Å; V97-I100 PolarHBondContact O-N 3.33Å; V97-G101 PolarHBondContact O-N 2.81Å; V97-F140 HydrophobicContact CG1-CB 4.09Å; V97-F140 HydrophobicContact CG1-CD1 4.07Å; V97-F140 WeakPolarHBondContact CG1-O 3.35Å; V97-V143 HydrophobicContact CG1-CB 4.32Å; V97-V143 HydrophobicContact CG1-CG1 4.3Å
98V97.7Very high96.8Very high0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-67.7-34.2175.9-176.40000110.9F28 W33 T94 G101 A102 I141 L200F28-V98 HydrophobicContact CB-CG1 4.42Å; F28-V98 HydrophobicContact CD2-CB 3.94Å; F28-V98 HydrophobicContact CD2-CG1 3.55Å; F28-V98 HydrophobicContact CE2-CB 4.12Å; F28-V98 HydrophobicContact CE2-CG1 4.24Å; F28-V98 HydrophobicContact CG-CG1 4.35Å; W33-V98 HydrophobicContact CH2-CB 4.41Å; W33-V98 HydrophobicContact CH2-CG1 4.23Å; W33-V98 HydrophobicContact CH2-CG2 4.04Å; W33-V98 HydrophobicContact CZ2-CG1 4.44Å; T94-V98 HydrophobicContact CG2-CG2 4.14Å; T94-V98 WeakPolarHBondContact O-CB 3.24Å; T94-V98 WeakPolarHBondContact O-CG2 3.28Å; T94-V98 PolarHBondContact O-N 3.17Å; V98-G101 PolarHBondContact O-N 3.28Å; V98-A102 WeakPolarHBondContact O-CB 3.23Å; V98-A102 PolarHBondContact O-N 3.41Å; V98-I141 HydrophobicContact CG1-CG1 4.43Å; V98-L200 HydrophobicContact CG1-CD1 4.35Å; V98-L200 HydrophobicContact CG1-CD2 4.43Å
99G97.4Very high96.9Very high12 Ų1238.8 Ų38.812%0.12420%0.201CC..Hα-helixtrans-62-42.6174.100000112.8T95 I96 V97 S103T95-G99 WeakPolarHBondContact O-CA 3.31Å; T95-G99 PolarHBondContact O-N 2.9Å; I96-G99 PolarHBondContact O-N 2.88Å; V97-G99 VanDerWaalsContact C-N 3.3Å; V97-G99 PolarHBondContact O-N 3.06Å; G99-S103 VanDerWaalsContact O-CB 3.31Å; G99-S103 WeakPolarHBondContact O-CB 3.45Å; G99-S103 PolarHBondContact O-N 2.73Å; G99-S103 PolarHBondContact O-OG 3.13Å
100I98.1Very high96.9Very high72 Ų7238.3 Ų38.337%0.36920%0.198SC..Hα-helixtrans-63.1-47.1173.8-70166.4000109.9I96 V97 S103 L104 F140I96-I100 HydrophobicContact CG2-CD1 3.79Å; I96-I100 HydrophobicContact CG2-CG1 4.46Å; I96-I100 VanDerWaalsContact O-CG1 3.31Å; I96-I100 WeakPolarHBondContact O-CG1 3.46Å; I96-I100 PolarHBondContact O-N 2.95Å; V97-I100 PolarHBondContact O-N 3.33Å; I100-S103 PolarHBondContact O-N 3.29Å; I100-L104 HydrophobicContact CG2-CD1 4.04Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.48Å; I100-F140 HydrophobicContact CG2-CD2 4Å; I100-F140 HydrophobicContact CG2-CE2 4.04Å; I100-F140 HydrophobicContact CG2-CG 4.4Å; I100-F140 HydrophobicContact CG2-CZ 4.45Å
101G98.1Very high96.7Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-57.3-50.8177.500000112.6V97 V98 S103 L104 T105V97-G101 PolarHBondContact O-N 2.81Å; V98-G101 PolarHBondContact O-N 3.28Å; G101-S103 VanDerWaalsContact C-N 3.33Å; G101-S103 PolarHBondContact O-N 3.21Å; G101-L104 PolarHBondContact O-N 3.26Å; G101-T105 PolarHBondContact O-N 2.82Å; G101-T105 PolarHBondContact O-OG1 3.1Å; G101-T105 VanDerWaalsContact O-OG1 3.1Å
102A97.9Very high96.5Very high5 Ų535 Ų354%0.04119%0.188CC..Hα-helixtrans-60.9-40.2176.500000112.4A24 F28 V98 T105 I106A24-A102 HydrophobicContact CB-CB 4.26Å; F28-A102 HydrophobicContact CB-CB 4.4Å; V98-A102 WeakPolarHBondContact O-CB 3.23Å; V98-A102 PolarHBondContact O-N 3.41Å; A102-T105 PolarHBondContact O-N 3.44Å; A102-I106 VanDerWaalsContact O-CG1 3.31Å; A102-I106 WeakPolarHBondContact O-CG1 3.4Å; A102-I106 PolarHBondContact O-N 2.84Å
103S97.8Very high96.1Very high76 Ų7637 Ų3753%0.53120%0.2SC..Hα-helixtrans-64.7-42.9177.8-57.20000111.8G99 I100 G101 I106 F107G99-S103 VanDerWaalsContact O-CB 3.31Å; G99-S103 WeakPolarHBondContact O-CB 3.45Å; G99-S103 PolarHBondContact O-N 2.73Å; G99-S103 PolarHBondContact O-OG 3.13Å; I100-S103 PolarHBondContact O-N 3.29Å; G101-S103 VanDerWaalsContact C-N 3.33Å; G101-S103 PolarHBondContact O-N 3.21Å; S103-I106 PolarHBondContact O-N 3.28Å; S103-F107 WeakPolarHBondContact O-CB 3.44Å; S103-F107 PolarHBondContact O-N 3.46Å
104L97.7Very high95.6Very high37 Ų3736.8 Ų36.819%0.19420%0.202CC..Hα-helixtrans-61.6-44.5173.7-73.4173.1000111I100 G101 I106 F107 T108 F133 L136 A137 F140I100-L104 HydrophobicContact CG2-CD1 4.04Å; I100-L104 HydrophobicContact CG2-CG 4.41Å; I100-L104 WeakPolarHBondContact O-CG 3.44Å; I100-L104 PolarHBondContact O-N 3.48Å; G101-L104 PolarHBondContact O-N 3.26Å; L104-I106 PolarHBondContact O-N 2.98Å; L104-F107 PolarHBondContact O-N 3.35Å; L104-T108 WeakPolarHBondContact O-CG2 3.32Å; L104-T108 PolarHBondContact O-N 3.38Å; L104-T108 PolarHBondContact O-OG1 3.32Å; L104-F133 HydrophobicContact CD2-CD1 4.35Å; L104-L136 HydrophobicContact CD1-CB 4.48Å; L104-A137 HydrophobicContact CB-CB 3.93Å; L104-F140 HydrophobicContact CD1-CD2 3.99Å; L104-F140 HydrophobicContact CD1-CE2 4.08Å
105T97.5Very high95Very high0 Ų037 Ų370%020%0.204CC..Hα-helixtrans-58.7-48.9176.5-57.70000111.4A21 A24 G101 A102 F107 T108 A109 L207A21-T105 HydrophobicContact CB-CG2 4.03Å; A24-T105 HydrophobicContact CB-CG2 4.33Å; G101-T105 PolarHBondContact O-N 2.82Å; G101-T105 PolarHBondContact O-OG1 3.1Å; G101-T105 VanDerWaalsContact O-OG1 3.1Å; A102-T105 PolarHBondContact O-N 3.44Å; T105-F107 VanDerWaalsContact C-N 3.33Å; T105-F107 PolarHBondContact O-N 3.02Å; T105-T108 PolarHBondContact O-N 3.46Å; T105-T108 PolarHBondContact O-OG1 3.42Å; T105-A109 WeakPolarHBondContact O-CB 3.2Å; T105-A109 PolarHBondContact O-N 2.91Å; T105-L207 HydrophobicContact CG2-CD2 3.73Å
106I97.4Very high94.1Very high67 Ų6738 Ų3834%0.34421%0.212SC..Hα-helixtrans-58.9-45.2177-68.6165000111A21 A25 A102 S103 L104 T108 A109 I110A21-I106 HydrophobicContact CB-CG1 4.19Å; A25-I106 HydrophobicContact CB-CD1 4.37Å; A102-I106 VanDerWaalsContact O-CG1 3.31Å; A102-I106 WeakPolarHBondContact O-CG1 3.4Å; A102-I106 PolarHBondContact O-N 2.84Å; S103-I106 PolarHBondContact O-N 3.28Å; L104-I106 PolarHBondContact O-N 2.98Å; I106-T108 PolarHBondContact O-N 3.47Å; I106-A109 WeakPolarHBondContact O-CB 3.11Å; I106-A109 PolarHBondContact O-N 2.93Å; I106-I110 HydrophobicContact CG2-CD1 3.88Å; I106-I110 HydrophobicContact CG2-CG1 4.48Å; I106-I110 WeakPolarHBondContact O-CG1 3.31Å; I106-I110 PolarHBondContact O-N 2.78Å
107F96.4Very high93.3Very high107 Ų10739.2 Ų39.247%0.46923%0.226SC..Hα-helixtrans-59.7-47.3178.3-179.7-110000112S103 L104 T105 A109 I110 I111S103-F107 WeakPolarHBondContact O-CB 3.44Å; S103-F107 PolarHBondContact O-N 3.46Å; L104-F107 PolarHBondContact O-N 3.35Å; T105-F107 VanDerWaalsContact C-N 3.33Å; T105-F107 PolarHBondContact O-N 3.02Å; F107-A109 VanDerWaalsContact C-N 3.31Å; F107-A109 PolarHBondContact O-N 3.33Å; F107-I110 PolarHBondContact O-N 3.41Å; F107-I111 HydrophobicContact CD1-CD1 3.88Å; F107-I111 HydrophobicContact CD2-CD1 4.49Å; F107-I111 HydrophobicContact CE1-CD1 3.43Å; F107-I111 VanDerWaalsContact CE1-CD1 3.43Å; F107-I111 HydrophobicContact CE2-CD1 4.1Å; F107-I111 HydrophobicContact CG-CD1 4.4Å; F107-I111 HydrophobicContact CZ-CD1 3.56Å; F107-I111 WeakPolarHBondContact O-CG1 3.07Å; F107-I111 PolarHBondContact O-N 2.91Å
108T95.1Very high92.4Very high0 Ų041.4 Ų41.40%024%0.24CC..Hα-helixtrans-63.6-36.217761.40000112.7L104 T105 I106 I111 T112 I130 F133 Q134L104-T108 WeakPolarHBondContact O-CG2 3.32Å; L104-T108 PolarHBondContact O-N 3.38Å; L104-T108 PolarHBondContact O-OG1 3.32Å; T105-T108 PolarHBondContact O-N 3.46Å; T105-T108 PolarHBondContact O-OG1 3.42Å; I106-T108 PolarHBondContact O-N 3.47Å; T108-I111 PolarHBondContact O-N 2.94Å; T108-T112 WeakPolarHBondContact O-CB 3.22Å; T108-T112 PolarHBondContact O-N 3.29Å; T108-T112 PolarHBondContact O-OG1 3.44Å; T108-I130 HydrophobicContact CG2-CG2 3.81Å; T108-F133 HydrophobicContact CG2-CB 3.64Å; T108-Q134 HydrophobicContact CG2-CG 4.23Å
109A95.4Very high91Very high4 Ų449.6 Ų49.63%0.03327%0.271CS..Hα-helixtrans-65.4-43.8176.100000112.2S17 A21 T105 I106 F107 I111 T112 L113S17-A109 WeakPolarHBondContact O-CB 3.44Å; A21-A109 HydrophobicContact CB-CB 3.53Å; T105-A109 WeakPolarHBondContact O-CB 3.2Å; T105-A109 PolarHBondContact O-N 2.91Å; I106-A109 WeakPolarHBondContact O-CB 3.11Å; I106-A109 PolarHBondContact O-N 2.93Å; F107-A109 VanDerWaalsContact C-N 3.31Å; F107-A109 PolarHBondContact O-N 3.33Å; A109-I111 PolarHBondContact O-N 2.04Å; A109-T112 PolarHBondContact O-N 3.38Å; A109-L113 VanDerWaalsContact O-CB 3.29Å; A109-L113 WeakPolarHBondContact O-CB 3.32Å; A109-L113 VanDerWaalsContact O-CG 3.28Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3.45Å
110I93.9Very high89.8Confident106 Ų10656 Ų5654%0.54430%0.302SS..Hα-helixtrans-59.6-45.8177-68166.3000110.9I106 F107 T112 L113 S114I106-I110 HydrophobicContact CG2-CD1 3.88Å; I106-I110 HydrophobicContact CG2-CG1 4.48Å; I106-I110 WeakPolarHBondContact O-CG1 3.31Å; I106-I110 PolarHBondContact O-N 2.78Å; F107-I110 PolarHBondContact O-N 3.41Å; I110-T112 VanDerWaalsContact C-N 3.33Å; I110-T112 PolarHBondContact O-N 3.23Å; I110-L113 PolarHBondContact O-N 2.83Å; I110-S114 WeakPolarHBondContact O-CB 3.47Å; I110-S114 PolarHBondContact O-N 2.79Å; I110-S114 PolarHBondContact O-OG 3.14Å
111I92.3Very high88.7Confident38 Ų3855 Ų5520%0.19530%0.299CS..Hα-helixtrans-64.4-40.2178.2-62167.2000111.2F107 T108 A109 S114 A115 V121 I130F107-I111 HydrophobicContact CD1-CD1 3.88Å; F107-I111 HydrophobicContact CD2-CD1 4.49Å; F107-I111 HydrophobicContact CE1-CD1 3.43Å; F107-I111 VanDerWaalsContact CE1-CD1 3.43Å; F107-I111 HydrophobicContact CE2-CD1 4.1Å; F107-I111 HydrophobicContact CG-CD1 4.4Å; F107-I111 HydrophobicContact CZ-CD1 3.56Å; F107-I111 WeakPolarHBondContact O-CG1 3.07Å; F107-I111 PolarHBondContact O-N 2.91Å; T108-I111 PolarHBondContact O-N 2.94Å; A109-I111 PolarHBondContact O-N 2.04Å; I111-S114 PolarHBondContact O-N 2.89Å; I111-S114 PolarHBondContact O-OG 2.99Å; I111-A115 PolarHBondContact O-N 3.35Å; I111-V121 HydrophobicContact CG2-CG1 4.33Å; I111-I130 HydrophobicContact CB-CD1 4.35Å; I111-I130 HydrophobicContact CG2-CD1 3.68Å; I111-I130 HydrophobicContact CG2-CG1 4.48Å
112T90.3Very high87.7Confident0 Ų055.8 Ų55.80%030%0.303CS..Hα-helixtrans-75.4-30.3-176.9-45.50000111.6W13 S14 T108 A109 I110 I122W13-T112 HydrophobicContact CD2-CG2 3.89Å; W13-T112 HydrophobicContact CE3-CG2 3.76Å; W13-T112 HydrophobicContact CH2-CG2 4.26Å; W13-T112 HydrophobicContact CZ2-CG2 4.39Å; W13-T112 HydrophobicContact CZ3-CG2 3.97Å; S14-T112 VanDerWaalsContact CA-CG2 3.48Å; S14-T112 VanDerWaalsContact OG-C 3.32Å; S14-T112 PolarHBondContact OG-O 3.4Å; T108-T112 WeakPolarHBondContact O-CB 3.22Å; T108-T112 PolarHBondContact O-N 3.29Å; T108-T112 PolarHBondContact O-OG1 3.44Å; A109-T112 PolarHBondContact O-N 3.38Å; I110-T112 VanDerWaalsContact C-N 3.33Å; I110-T112 PolarHBondContact O-N 3.23Å; T112-I122 HydrophobicContact CG2-CD1 4.05Å
113L88.8Confident87.1Confident78 Ų7858.7 Ų58.741%0.40832%0.32SS..Hα-helixtrans-72.9-38.4172.7-76.4171.8000112.2A18 A109 I110 A115 C116A18-L113 HydrophobicContact CB-CD1 4.02Å; A18-L113 HydrophobicContact CB-CD2 4.15Å; A18-L113 HydrophobicContact CB-CG 4.29Å; A109-L113 VanDerWaalsContact O-CB 3.29Å; A109-L113 WeakPolarHBondContact O-CB 3.32Å; A109-L113 VanDerWaalsContact O-CG 3.28Å; A109-L113 WeakPolarHBondContact O-CG 3.48Å; A109-L113 PolarHBondContact O-N 3.45Å; I110-L113 PolarHBondContact O-N 2.83Å; L113-A115 PolarHBondContact O-N 3.37Å; L113-C116 VanDerWaalsContact O-CB 3.26Å; L113-C116 WeakPolarHBondContact O-CB 3.31Å; L113-C116 PolarHBondContact O-N 3.07Å
114S87.5Confident86.4Confident45 Ų4558.5 Ų58.532%0.31531%0.308SS..Hα-helixtrans-62.7-29.1178.669.10000112.2I110 I111 C116 C117 T118I110-S114 WeakPolarHBondContact O-CB 3.47Å; I110-S114 PolarHBondContact O-N 2.79Å; I110-S114 PolarHBondContact O-OG 3.14Å; I111-S114 PolarHBondContact O-N 2.89Å; I111-S114 PolarHBondContact O-OG 2.99Å; S114-C116 PolarHBondContact O-N 3.4Å; S114-C117 PolarHBondContact O-N 2.82Å; S114-T118 PolarHBondContact O-N 3.42Å; S114-T118 PolarHBondContact O-OG1 3.38Å
115A83.3Confident86Confident4 Ų461.2 Ų61.23%0.03333%0.326CS..Hα-helixtrans-66.8-19.2173.500000114.5L6 I111 L113 C117 T118 V121 I122L6-A115 VanDerWaalsContact CD1-O 3.27Å; L6-A115 WeakPolarHBondContact CD1-O 2.86Å; I111-A115 PolarHBondContact O-N 3.35Å; L113-A115 PolarHBondContact O-N 3.37Å; A115-C117 VanDerWaalsContact C-N 3.27Å; A115-T118 CarbonylContact C-O 3.45Å; A115-T118 VanDerWaalsContact O-O 3.09Å; A115-V121 HydrophobicContact CB-CB 4.4Å; A115-I122 HydrophobicContact CB-CB 4.34Å; A115-I122 HydrophobicContact CB-CD1 3.12Å; A115-I122 HydrophobicContact CB-CG1 3.43Å; A115-I122 VanDerWaalsContact CB-CG1 3.43Å
116C78.7Confident85.6Confident42 Ų4263.2 Ų63.228%0.28434%0.338SS..Hα-helixtrans-71.5-27170.4-63.90000111.6S14 L113 S114S14-C116 PolarHBondContact OG-SG 3.3Å; S14-C116 VanDerWaalsContact OG-SG 3.4Å; L113-C116 VanDerWaalsContact O-CB 3.26Å; L113-C116 WeakPolarHBondContact O-CB 3.31Å; L113-C116 PolarHBondContact O-N 3.07Å; S114-C116 PolarHBondContact O-N 3.4Å
117C79.7Confident85.3Confident109 Ų10960 Ų6074%0.73632%0.322SS*.Hα-helixtrans-98.6-29.2-177.1-58.40000112.9S114 A115S114-C117 PolarHBondContact O-N 2.82Å; A115-C117 VanDerWaalsContact C-N 3.27Å
118T78.5Confident85.1Confident68 Ų6860.5 Ų60.542%0.41732%0.321SS..SBendtrans-122.1128.7-175.352.20000110S114 A115 V121S114-T118 PolarHBondContact O-N 3.42Å; S114-T118 PolarHBondContact O-OG1 3.38Å; A115-T118 CarbonylContact C-O 3.45Å; A115-T118 VanDerWaalsContact O-O 3.09Å; T118-V121 WeakPolarHBondContact OG1-CG2 3.46Å
119R69.7Low85Confident172 Ų17264.3 Ų64.365%0.64934%0.341SS*.THydrogen-bonded Turntrans-70.2151.8172.5-62.4-168.5-175.6118.20.1109.2V121R119-V121 VanDerWaalsContact C-N 3.31Å; R119-V121 PolarHBondContact O-N 3.01Å
120D70.7Confident85Confident147 Ų14764.3 Ų64.379%0.78634%0.34SS*.THydrogen-bonded Turntrans70.23.1172-49.8-47.5000118.4
121V75.8Confident85.1Confident51 Ų5159.4 Ų59.431%0.30932%0.315SS..SBendtrans-65.7-41.8173171.90000112.2I111 A115 T118 R119 T123I111-V121 HydrophobicContact CG2-CG1 4.33Å; A115-V121 HydrophobicContact CB-CB 4.4Å; T118-V121 WeakPolarHBondContact OG1-CG2 3.46Å; R119-V121 VanDerWaalsContact C-N 3.31Å; R119-V121 PolarHBondContact O-N 3.01Å; V121-T123 PolarHBondContact O-N 2.98Å
122I78.3Confident85.3Confident16 Ų1662.2 Ų62.28%0.08233%0.33CS..SBendtrans-90.698.6178-64.9171.4000108.9W13 T112 A115 A127 F221W13-I122 HydrophobicContact CE3-CD1 4.45Å; W13-I122 HydrophobicContact CZ3-CD1 3.82Å; W13-I122 HydrophobicContact CZ3-CG2 4.01Å; T112-I122 HydrophobicContact CG2-CD1 4.05Å; A115-I122 HydrophobicContact CB-CB 4.34Å; A115-I122 HydrophobicContact CB-CD1 3.12Å; A115-I122 HydrophobicContact CB-CG1 3.43Å; A115-I122 VanDerWaalsContact CB-CG1 3.43Å; I122-A127 HydrophobicContact CG2-CB 3.97Å; I122-F221 HydrophobicContact CG2-CE2 3.71Å; I122-F221 HydrophobicContact CG2-CZ 4.14Å
123T84Confident85.6Confident65 Ų6565.5 Ų65.540%0.39934%0.344SS..  trans-90.2170.4166.174.20000110.8V121 T125 T126 A127V121-T123 PolarHBondContact O-N 2.98Å; T123-T125 PolarHBondContact O-N 2.93Å; T123-T125 PolarHBondContact OG1-N 3.25Å; T123-T126 PolarHBondContact O-N 3.29Å; T123-T126 PolarHBondContact OG1-N 3.4Å; T123-T126 VanDerWaalsContact OG1-N 3.14Å; T123-T126 PolarHBondContact OG1-OG1 2.95Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.3Å
124R84.4Confident86Confident73 Ų7361.8 Ų61.828%0.27533%0.325SS..Hα-helixtrans-52-43.4171.6-179.9-174.1-177.5-175.96.4112.3R128 A218 D222R124-R128 VanDerWaalsContact NE-NH2 3.14Å; R124-R128 WeakPolarHBondContact O-CG 2.99Å; R124-R128 PolarHBondContact O-N 2.67Å; R124-A218 HydrophobicContact CG-CB 4.48Å; R124-D222 IonicContact CZ-OD1 3.34Å; R124-D222 IonicContact CZ-OD2 3.05Å; R124-D222 IonicContact NE-OD1 3.84Å; R124-D222 IonicContact NE-OD2 3.72Å; R124-D222 IonicContact NH1-OD1 2.92Å; R124-D222 PolarHBondContact NH1-OD1 2.97Å; R124-D222 IonicContact NH1-OD2 3.3Å; R124-D222 PolarHBondContact NH1-OD2 3.13Å; R124-D222 IonicContact NH2-OD1 2.79Å; R124-D222 IonicContact NH2-OD2 3.89Å; R124-D222 PolarHBondContact NH2-OD2 3.49Å
125T88.5Confident86.5Confident94 Ų9463.1 Ų63.158%0.57733%0.328SS*.Hα-helixtrans-71.6-46.4-178.3-53.40000110.4T123 A127 R128 I129T123-T125 PolarHBondContact O-N 2.93Å; T123-T125 PolarHBondContact OG1-N 3.25Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 2.83Å; T125-R128 PolarHBondContact O-N 2.93Å; T125-I129 HydrophobicContact CG2-CD1 3.93Å; T125-I129 WeakPolarHBondContact O-CG1 3.34Å; T125-I129 PolarHBondContact O-N 2.9Å
126T89Confident87.2Confident41 Ų4166.4 Ų66.425%0.25234%0.344SS..Hα-helixtrans-59.1-45.1177.5-45.40000111.2T123 R128 I129 I130T123-T126 PolarHBondContact O-N 3.29Å; T123-T126 PolarHBondContact OG1-N 3.4Å; T123-T126 VanDerWaalsContact OG1-N 3.14Å; T123-T126 PolarHBondContact OG1-OG1 2.95Å; T126-R128 PolarHBondContact O-N 2.93Å; T126-I129 PolarHBondContact O-N 3.38Å; T126-I130 HydrophobicContact CG2-CD1 3.89Å; T126-I130 HydrophobicContact CG2-CG1 4.39Å; T126-I130 VanDerWaalsContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG1 3.41Å; T126-I130 PolarHBondContact O-N 3.1Å
127A90.3Very high88.1Confident0 Ų064.4 Ų64.40%033%0.331CS..Hα-helixtrans-56.7-51.1176.600000111.3W13 I122 T123 T125 I129 I130 G131 S214 A218W13-A127 HydrophobicContact CH2-CB 4.25Å; W13-A127 HydrophobicContact CZ3-CB 4.35Å; I122-A127 HydrophobicContact CG2-CB 3.97Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.3Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 2.83Å; A127-I129 VanDerWaalsContact C-N 3.33Å; A127-I129 PolarHBondContact O-N 3.25Å; A127-I130 PolarHBondContact O-N 2.89Å; A127-G131 PolarHBondContact O-N 3.46Å; A127-S214 PolarHBondContact O-OG 3.24Å; A127-A218 HydrophobicContact CB-CB 3.9Å
128R92.3Very high89Confident117 Ų11759.2 Ų59.244%0.44230%0.296SS..Hα-helixtrans-58-42.9177.6-72.4178.2178.4173.8-1.6113.1R124 T125 T126 G131 I132 A218R124-R128 VanDerWaalsContact NE-NH2 3.14Å; R124-R128 WeakPolarHBondContact O-CG 2.99Å; R124-R128 PolarHBondContact O-N 2.67Å; T125-R128 PolarHBondContact O-N 2.93Å; T126-R128 PolarHBondContact O-N 2.93Å; R128-G131 PolarHBondContact O-N 2.95Å; R128-I132 WeakPolarHBondContact O-CG1 3.37Å; R128-I132 PolarHBondContact O-N 3.38Å; R128-A218 HydrophobicContact CG-CB 3.98Å
129I94.2Very high89.8Confident81 Ų8160.7 Ų60.742%0.41530%0.299SS..Hα-helixtrans-62.7-45.2177.8-67.8168.2000110.7T125 T126 A127 G131 I132 F133T125-I129 HydrophobicContact CG2-CD1 3.93Å; T125-I129 WeakPolarHBondContact O-CG1 3.34Å; T125-I129 PolarHBondContact O-N 2.9Å; T126-I129 PolarHBondContact O-N 3.38Å; A127-I129 VanDerWaalsContact C-N 3.33Å; A127-I129 PolarHBondContact O-N 3.25Å; I129-G131 VanDerWaalsContact C-N 3.33Å; I129-G131 PolarHBondContact O-N 3.19Å; I129-I132 WeakPolarHBondContact O-CB 3.47Å; I129-I132 PolarHBondContact O-N 3.01Å; I129-F133 HydrophobicContact CG2-CD2 3.87Å; I129-F133 HydrophobicContact CG2-CE2 3.46Å; I129-F133 VanDerWaalsContact CG2-CE2 3.46Å; I129-F133 HydrophobicContact CG2-CZ 4.1Å; I129-F133 PolarHBondContact O-N 2.88Å
130I94.7Very high91.2Very high3 Ų356 Ų562%0.01528%0.284CS..Hα-helixtrans-61-43.9176.5-64.1164.5000110.5W13 T108 I111 T126 A127 I132 F133 Q134W13-I130 HydrophobicContact CH2-CB 3.98Å; W13-I130 HydrophobicContact CH2-CD1 3.8Å; W13-I130 HydrophobicContact CH2-CG2 3.95Å; W13-I130 HydrophobicContact CZ2-CB 3.85Å; W13-I130 HydrophobicContact CZ2-CD1 4.38Å; W13-I130 HydrophobicContact CZ2-CG2 3.42Å; W13-I130 VanDerWaalsContact CZ2-CG2 3.42Å; T108-I130 HydrophobicContact CG2-CG2 3.81Å; I111-I130 HydrophobicContact CB-CD1 4.35Å; I111-I130 HydrophobicContact CG2-CD1 3.68Å; I111-I130 HydrophobicContact CG2-CG1 4.48Å; T126-I130 HydrophobicContact CG2-CD1 3.89Å; T126-I130 HydrophobicContact CG2-CG1 4.39Å; T126-I130 VanDerWaalsContact O-CG1 3.26Å; T126-I130 WeakPolarHBondContact O-CG1 3.41Å; T126-I130 PolarHBondContact O-N 3.1Å; A127-I130 PolarHBondContact O-N 2.89Å; I130-I132 VanDerWaalsContact C-N 3.3Å; I130-I132 PolarHBondContact O-N 3.48Å; I130-F133 PolarHBondContact O-N 2.95Å; I130-F133 VanDerWaalsContact O-N 3.13Å; I130-Q134 HydrophobicContact CG2-CG 4.35Å; I130-Q134 WeakPolarHBondContact O-CG 3.4Å; I130-Q134 PolarHBondContact O-N 3.45Å
131G95.7Very high92.5Very high3 Ų349 Ų493%0.03125%0.246CC..Hα-helixtrans-58.9-39.2175.700000113A127 R128 I129 Q134 I135 S214A127-G131 PolarHBondContact O-N 3.46Å; R128-G131 PolarHBondContact O-N 2.95Å; I129-G131 VanDerWaalsContact C-N 3.33Å; I129-G131 PolarHBondContact O-N 3.19Å; G131-Q134 PolarHBondContact O-N 3.02Å; G131-I135 WeakPolarHBondContact O-CG1 3.46Å; G131-I135 PolarHBondContact O-N 3.39Å; G131-I135 VanDerWaalsContact O-N 3.07Å; G131-S214 PolarHBondContact N-OG 3.07Å
132I96.5Very high93.4Very high97 Ų9748.7 Ų48.750%0.49725%0.246SC..Hα-helixtrans-63.9-45.7173.4-67.1164.3000110.5R128 I129 I130 Q134 I135 L136R128-I132 WeakPolarHBondContact O-CG1 3.37Å; R128-I132 PolarHBondContact O-N 3.38Å; I129-I132 WeakPolarHBondContact O-CB 3.47Å; I129-I132 PolarHBondContact O-N 3.01Å; I130-I132 VanDerWaalsContact C-N 3.3Å; I130-I132 PolarHBondContact O-N 3.48Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 2.84Å; I132-I135 PolarHBondContact O-N 2.94Å; I132-L136 HydrophobicContact CG2-CD1 4.04Å; I132-L136 HydrophobicContact CG2-CG 4.37Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 3.31Å
133F97.3Very high94.3Very high69 Ų6950.8 Ų50.830%0.30326%0.259SS..Hα-helixtrans-61.9-35.2176.1-71.7-40.8000112.9L104 T108 I129 I130 L136 A137L104-F133 HydrophobicContact CD2-CD1 4.35Å; T108-F133 HydrophobicContact CG2-CB 3.64Å; I129-F133 HydrophobicContact CG2-CD2 3.87Å; I129-F133 HydrophobicContact CG2-CE2 3.46Å; I129-F133 VanDerWaalsContact CG2-CE2 3.46Å; I129-F133 HydrophobicContact CG2-CZ 4.1Å; I129-F133 PolarHBondContact O-N 2.88Å; I130-F133 PolarHBondContact O-N 2.95Å; I130-F133 VanDerWaalsContact O-N 3.13Å; F133-L136 HydrophobicContact CD1-CD1 4.19Å; F133-L136 PolarHBondContact O-N 3.4Å; F133-A137 VanDerWaalsContact O-CB 3.31Å; F133-A137 WeakPolarHBondContact O-CB 3.37Å; F133-A137 PolarHBondContact O-N 3.32Å
134Q97.3Very high94.8Very high0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-64.9-40.7174.4-72.3173.9-24.700111.8W13 S17 T108 I130 G131 I132 A137 A138 C210 A211W13-Q134 VanDerWaalsContact NE1-OE1 3.12Å; S17-Q134 PolarHBondContact OG-NE2 2.96Å; T108-Q134 HydrophobicContact CG2-CG 4.23Å; I130-Q134 HydrophobicContact CG2-CG 4.35Å; I130-Q134 WeakPolarHBondContact O-CG 3.4Å; I130-Q134 PolarHBondContact O-N 3.45Å; G131-Q134 PolarHBondContact O-N 3.02Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 2.84Å; Q134-A137 PolarHBondContact O-N 2.81Å; Q134-A138 WeakPolarHBondContact O-CB 3.05Å; Q134-A138 PolarHBondContact O-N 2.78Å; Q134-C210 HydrophobicContact CG-CB 4.42Å; Q134-C210 PolarHBondContact OE1-O 2.93Å; Q134-A211 HydrophobicContact CB-CB 4.21Å
135I97.4Very high95.3Very high74 Ų7444.2 Ų44.238%0.37923%0.227SC..Hα-helixtrans-65.3-45.2173.6-66.7168.1000110.9G131 I132 A137 A138 M139 F208 A211G131-I135 WeakPolarHBondContact O-CG1 3.46Å; G131-I135 PolarHBondContact O-N 3.39Å; G131-I135 VanDerWaalsContact O-N 3.07Å; I132-I135 PolarHBondContact O-N 2.94Å; I135-A137 VanDerWaalsContact C-N 3.33Å; I135-A137 PolarHBondContact O-N 3.3Å; I135-A138 WeakPolarHBondContact O-CB 3.36Å; I135-A138 PolarHBondContact O-N 3.21Å; I135-M139 HydrophobicContact CG2-CG 4.48Å; I135-M139 WeakPolarHBondContact O-CG 3.16Å; I135-M139 PolarHBondContact O-N 3.19Å; I135-F208 HydrophobicContact CG2-CE1 4.35Å; I135-A211 HydrophobicContact CD1-CB 4Å; I135-A211 HydrophobicContact CG1-CB 3.53Å
136L97.7Very high95.5Very high73 Ų7344.3 Ų44.338%0.38222%0.223SC..Hα-helixtrans-61.3-43177.6-70.8173.8000111.3L104 I132 F133 A138 M139 F140L104-L136 HydrophobicContact CD1-CB 4.48Å; I132-L136 HydrophobicContact CG2-CD1 4.04Å; I132-L136 HydrophobicContact CG2-CG 4.37Å; I132-L136 WeakPolarHBondContact O-CG 3.39Å; I132-L136 PolarHBondContact O-N 3.31Å; F133-L136 HydrophobicContact CD1-CD1 4.19Å; F133-L136 PolarHBondContact O-N 3.4Å; L136-A138 PolarHBondContact O-N 3.48Å; L136-M139 PolarHBondContact O-N 2.78Å; L136-F140 HydrophobicContact CB-CE2 4.4Å; L136-F140 WeakPolarHBondContact O-CD2 3.1Å; L136-F140 PolarHBondContact O-N 3.09Å
137A98.1Very high95.7Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-58.5-46.8174.600000111.7L104 F133 Q134 I135 M139 F140 I141 L207L104-A137 HydrophobicContact CB-CB 3.93Å; F133-A137 VanDerWaalsContact O-CB 3.31Å; F133-A137 WeakPolarHBondContact O-CB 3.37Å; F133-A137 PolarHBondContact O-N 3.32Å; Q134-A137 PolarHBondContact O-N 2.81Å; I135-A137 VanDerWaalsContact C-N 3.33Å; I135-A137 PolarHBondContact O-N 3.3Å; A137-M139 VanDerWaalsContact C-N 3.33Å; A137-M139 PolarHBondContact O-N 3.09Å; A137-F140 PolarHBondContact O-N 3.07Å; A137-I141 WeakPolarHBondContact O-CG1 3.4Å; A137-I141 PolarHBondContact O-N 3.32Å; A137-L207 HydrophobicContact CB-CD1 4.18Å
138A97.8Very high95.9Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-58.8-43.817600000111.9Q134 I135 L136 I141 C142 T204 L207 F208Q134-A138 WeakPolarHBondContact O-CB 3.05Å; Q134-A138 PolarHBondContact O-N 2.78Å; I135-A138 WeakPolarHBondContact O-CB 3.36Å; I135-A138 PolarHBondContact O-N 3.21Å; L136-A138 PolarHBondContact O-N 3.48Å; A138-I141 PolarHBondContact O-N 3.26Å; A138-C142 WeakPolarHBondContact O-CB 3.11Å; A138-C142 PolarHBondContact O-N 3.47Å; A138-T204 HydrophobicContact CB-CG2 4.08Å; A138-L207 HydrophobicContact CB-CB 3.81Å; A138-L207 HydrophobicContact CB-CD1 4.21Å; A138-F208 HydrophobicContact CB-CD2 4.19Å; A138-F208 HydrophobicContact CB-CE1 4.3Å; A138-F208 HydrophobicContact CB-CE2 3.87Å; A138-F208 HydrophobicContact CB-CZ 3.92Å
139M97.1Very high95.8Very high98 Ų9838.5 Ų38.548%0.48320%0.199SC..Hα-helixtrans-62.9-45.5177.3-72.2-61.1-66.300112.1I135 L136 A137 C142 V143 F208I135-M139 HydrophobicContact CG2-CG 4.48Å; I135-M139 WeakPolarHBondContact O-CG 3.16Å; I135-M139 PolarHBondContact O-N 3.19Å; L136-M139 PolarHBondContact O-N 2.78Å; A137-M139 VanDerWaalsContact C-N 3.33Å; A137-M139 PolarHBondContact O-N 3.09Å; M139-C142 PolarHBondContact O-N 2.92Å; M139-V143 WeakPolarHBondContact O-CB 3.45Å; M139-V143 VanDerWaalsContact O-CG2 3.28Å; M139-V143 WeakPolarHBondContact O-CG2 3.31Å; M139-V143 PolarHBondContact O-N 3.31Å; M139-F208 HydrophobicContact SD-CZ 4.47Å
140F97.9Very high95.7Very high75 Ų7536.8 Ų36.833%0.32919%0.19SC..Hα-helixtrans-62.6-48.4176.8-75.3-59.4000111.6V97 I100 L104 L136 A137 C142 V143 G144V97-F140 HydrophobicContact CG1-CB 4.09Å; V97-F140 HydrophobicContact CG1-CD1 4.07Å; V97-F140 WeakPolarHBondContact CG1-O 3.35Å; I100-F140 HydrophobicContact CG2-CD2 4Å; I100-F140 HydrophobicContact CG2-CE2 4.04Å; I100-F140 HydrophobicContact CG2-CG 4.4Å; I100-F140 HydrophobicContact CG2-CZ 4.45Å; L104-F140 HydrophobicContact CD1-CD2 3.99Å; L104-F140 HydrophobicContact CD1-CE2 4.08Å; L136-F140 HydrophobicContact CB-CE2 4.4Å; L136-F140 WeakPolarHBondContact O-CD2 3.1Å; L136-F140 PolarHBondContact O-N 3.09Å; A137-F140 PolarHBondContact O-N 3.07Å; F140-C142 VanDerWaalsContact C-N 3.31Å; F140-C142 PolarHBondContact O-N 2.97Å; F140-V143 PolarHBondContact O-N 2.9Å; F140-G144 PolarHBondContact O-N 3.32Å
141I97.4Very high95.5Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-59-45.5177.7-65.1173000110.5V98 A137 A138 G144 C145 L200 T204 L207V98-I141 HydrophobicContact CG1-CG1 4.43Å; A137-I141 WeakPolarHBondContact O-CG1 3.4Å; A137-I141 PolarHBondContact O-N 3.32Å; A138-I141 PolarHBondContact O-N 3.26Å; I141-G144 PolarHBondContact O-N 3.34Å; I141-C145 PolarHBondContact O-N 3.13Å; I141-C145 PolarHBondContact O-SG 3.45Å; I141-C145 VanDerWaalsContact O-SG 3.37Å; I141-L200 HydrophobicContact CG2-CB 4.16Å; I141-L200 HydrophobicContact CG2-CD2 4.26Å; I141-T204 WeakPolarHBondContact CG2-OG1 3.49Å; I141-L207 HydrophobicContact CD1-CD1 3.81Å
142C95.8Very high95.2Very high44 Ų4436.7 Ų36.730%0.29719%0.189SC..Hα-helixtrans-58.9-50.5177.6-172.60000112.3A138 M139 F140 G144 C145 L146 T204A138-C142 WeakPolarHBondContact O-CB 3.11Å; A138-C142 PolarHBondContact O-N 3.47Å; M139-C142 PolarHBondContact O-N 2.92Å; F140-C142 VanDerWaalsContact C-N 3.31Å; F140-C142 PolarHBondContact O-N 2.97Å; C142-G144 VanDerWaalsContact C-N 3.32Å; C142-G144 PolarHBondContact O-N 2.86Å; C142-C145 PolarHBondContact O-N 3.41Å; C142-L146 WeakPolarHBondContact O-CG 3.44Å; C142-L146 PolarHBondContact O-N 2.94Å; C142-T204 HydrophobicContact CB-CG2 4.06Å
143V96.3Very high94.8Very high59 Ų5933.3 Ų33.336%0.35818%0.178SC..Hα-helixtrans-59.3-44.7177.3169.60000110.7V97 M139 F140 C145 L146 M147V97-V143 HydrophobicContact CG1-CB 4.32Å; V97-V143 HydrophobicContact CG1-CG1 4.3Å; M139-V143 WeakPolarHBondContact O-CB 3.45Å; M139-V143 VanDerWaalsContact O-CG2 3.28Å; M139-V143 WeakPolarHBondContact O-CG2 3.31Å; M139-V143 PolarHBondContact O-N 3.31Å; F140-V143 PolarHBondContact O-N 2.9Å; V143-C145 PolarHBondContact O-N 3.01Å; V143-L146 PolarHBondContact O-N 3.37Å; V143-M147 HydrophobicContact CG1-CG 4.23Å; V143-M147 HydrophobicContact CG1-SD 3.75Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 VanDerWaalsContact O-CG 3.24Å; V143-M147 WeakPolarHBondContact O-CG 3.49Å; V143-M147 PolarHBondContact O-N 3.18Å
144G96.2Very high94.4Very high0 Ų030.8 Ų30.80%017%0.168CC..Hα-helixtrans-62.4-43.1177.500000113T94 F140 I141 C142 L146 M147 Y148T94-G144 WeakPolarHBondContact CG2-O 3.36Å; T94-G144 PolarHBondContact OG1-O 2.9Å; F140-G144 PolarHBondContact O-N 3.32Å; I141-G144 PolarHBondContact O-N 3.34Å; C142-G144 VanDerWaalsContact C-N 3.32Å; C142-G144 PolarHBondContact O-N 2.86Å; G144-L146 VanDerWaalsContact C-N 3.34Å; G144-L146 PolarHBondContact O-N 3.43Å; G144-M147 PolarHBondContact O-N 2.91Å; G144-Y148 PolarHBondContact O-N 3.28Å
145C93.4Very high94.1Very high1 Ų139.7 Ų39.71%0.00721%0.207CC..Hα-helixtrans-59.8-44.3172.7-71.90000111.3I141 C142 V143 M147 Y148 P149 Y197 L201I141-C145 PolarHBondContact O-N 3.13Å; I141-C145 PolarHBondContact O-SG 3.45Å; I141-C145 VanDerWaalsContact O-SG 3.37Å; C142-C145 PolarHBondContact O-N 3.41Å; V143-C145 PolarHBondContact O-N 3.01Å; C145-M147 VanDerWaalsContact C-N 3.33Å; C145-M147 PolarHBondContact O-N 2.81Å; C145-Y148 PolarHBondContact O-N 3Å; C145-P149 WeakPolarHBondContact O-CD 3.13Å; C145-Y197 HydrophobicContact CB-CE2 4.06Å; C145-Y197 PolarHBondContact O-OH 2.96Å; C145-L201 HydrophobicContact CB-CD2 3.89Å
146L92.6Very high93.7Very high96 Ų9638.1 Ų38.150%0.50320%0.197SC..Hα-helixtrans-62.9-38.1176.4-69.5172.5000112.3C142 V143 G144 P149 Y168C142-L146 WeakPolarHBondContact O-CG 3.44Å; C142-L146 PolarHBondContact O-N 2.94Å; V143-L146 PolarHBondContact O-N 3.37Å; G144-L146 VanDerWaalsContact C-N 3.34Å; G144-L146 PolarHBondContact O-N 3.43Å; L146-P149 WeakPolarHBondContact O-CD 2.87Å; L146-Y168 PolarHBondContact O-OH 3.25Å
147M94Very high93.2Very high33 Ų3334.6 Ų34.616%0.16318%0.179CC..Hα-helixtrans-74.8-26.9-179.6-68.9-178.579.500113.3W90 I93 V143 G144 C145 L150W90-M147 HydrophobicContact CE3-CE 3.56Å; W90-M147 HydrophobicContact CZ3-CE 3.67Å; I93-M147 HydrophobicContact CB-CE 3.83Å; I93-M147 HydrophobicContact CD1-CE 3.78Å; I93-M147 HydrophobicContact CG1-CE 4.41Å; I93-M147 HydrophobicContact CG2-CE 3.4Å; I93-M147 VanDerWaalsContact CG2-CE 3.4Å; I93-M147 HydrophobicContact CG2-SD 3.65Å; V143-M147 HydrophobicContact CG1-CG 4.23Å; V143-M147 HydrophobicContact CG1-SD 3.75Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 VanDerWaalsContact O-CG 3.24Å; V143-M147 WeakPolarHBondContact O-CG 3.49Å; V143-M147 PolarHBondContact O-N 3.18Å; G144-M147 PolarHBondContact O-N 2.91Å; C145-M147 VanDerWaalsContact C-N 3.33Å; C145-M147 PolarHBondContact O-N 2.81Å; M147-L150 VanDerWaalsContact O-CB 3.29Å; M147-L150 WeakPolarHBondContact O-CB 3.39Å; M147-L150 PolarHBondContact O-N 3.02Å; M147-L150 VanDerWaalsContact O-N 3.11Å
148Y93.9Very high92.7Very high1 Ų138.5 Ų38.50%0.00420%0.196CC..G310 helixtrans-57.7-46.6-175.6178.6-107.1000114.4W33 L34 F49 W91 T94 G144 C145 L150 G151 W152 Y197W33-Y148 HydrophobicContact CB-CE1 3.96Å; W33-Y148 AromaticContact CE3-CD1 3.86Å; W33-Y148 HydrophobicContact CE3-CD1 3.86Å; W33-Y148 AromaticContact CE3-CD2 3.81Å; W33-Y148 HydrophobicContact CE3-CD2 3.81Å; W33-Y148 HydrophobicContact CE3-CE1 4.01Å; W33-Y148 AromaticContact CE3-CE2 3.99Å; W33-Y148 HydrophobicContact CE3-CE2 3.99Å; W33-Y148 AromaticContact CE3-CG 3.74Å; W33-Y148 HydrophobicContact CE3-CG 3.74Å; W33-Y148 HydrophobicContact CZ3-CD1 4.47Å; W33-Y148 HydrophobicContact CZ3-CD2 4.02Å; W33-Y148 AromaticContact CZ3-CG 3.96Å; W33-Y148 HydrophobicContact CZ3-CG 3.96Å; L34-Y148 HydrophobicContact CB-CE1 4.26Å; F49-Y148 PolarHBondContact O-OH 3.47Å; F49-Y148 VanDerWaalsContact O-OH 3.11Å; W91-Y148 AromaticContact CD1-CD2 3.67Å; W91-Y148 AromaticContact CD1-CE2 3.88Å; W91-Y148 HydrophobicContact CD2-CE2 4.43Å; W91-Y148 AromaticContact CE2-CE2 3.95Å; W91-Y148 HydrophobicContact CG-CD2 4.45Å; W91-Y148 HydrophobicContact CG-CE2 4.41Å; W91-Y148 AromaticContact NE1-CD2 3.65Å; W91-Y148 AromaticContact NE1-CE2 3.56Å; W91-Y148 PolarHBondContact NE1-O 3.45Å; T94-Y148 HydrophobicContact CG2-CD2 4.17Å; T94-Y148 PolarHBondContact OG1-N 2.95Å; G144-Y148 PolarHBondContact O-N 3.28Å; C145-Y148 PolarHBondContact O-N 3Å; Y148-L150 PolarHBondContact O-N 3.25Å; Y148-G151 PolarHBondContact O-N 3.43Å; Y148-W152 HydrophobicContact CD1-CZ2 4.42Å; Y148-W152 AromaticContact CD1-NE1 3.73Å; Y148-W152 HydrophobicContact CE1-CZ2 4.46Å; Y148-W152 AromaticContact CE1-NE1 3.45Å; Y148-Y197 HydrophobicContact CD1-CD2 4.13Å; Y148-Y197 AromaticContact CD1-CE2 3.89Å; Y148-Y197 HydrophobicContact CD1-CE2 3.89Å; Y148-Y197 HydrophobicContact CG-CE2 4.47Å
149P90.8Very high92.2Very high2 Ų244 Ų441%0.01322%0.222CC..G310 helixtrans-59.2-22.4174.7-2835000116.1C145 L146 G151 W152 P167 Y168C145-P149 WeakPolarHBondContact O-CD 3.13Å; L146-P149 WeakPolarHBondContact O-CD 2.87Å; P149-G151 PolarHBondContact O-N 3.27Å; P149-W152 HydrophobicContact CB-CD2 4.06Å; P149-W152 HydrophobicContact CB-CE3 3.92Å; P149-W152 HydrophobicContact CB-CH2 3.81Å; P149-W152 HydrophobicContact CB-CZ2 3.93Å; P149-W152 HydrophobicContact CB-CZ3 3.77Å; P149-W152 HydrophobicContact CG-CH2 3.89Å; P149-W152 HydrophobicContact CG-CZ2 3.87Å; P149-W152 HydrophobicContact CG-CZ3 4.35Å; P149-W152 PolarHBondContact O-N 3.23Å; P149-P167 WeakPolarHBondContact O-CA 3.35Å; P149-Y168 HydrophobicContact CB-CD1 3.45Å; P149-Y168 VanDerWaalsContact CB-CD1 3.45Å; P149-Y168 HydrophobicContact CB-CE1 3.55Å; P149-Y168 HydrophobicContact CB-CG 4.02Å; P149-Y168 HydrophobicContact CG-CD1 4.04Å; P149-Y168 HydrophobicContact CG-CE1 3.81Å; P149-Y168 PolarHBondContact O-N 3.33Å
150L91Very high91.8Very high45 Ų4539.3 Ų39.324%0.23620%0.199CC..G310 helixtrans-64.8-25.2175.5-66.8170.5000111.8W90 M147 Y148 P167 Y168W90-L150 HydrophobicContact CB-CB 4.05Å; W90-L150 HydrophobicContact CD2-CB 3.85Å; W90-L150 HydrophobicContact CD2-CD1 3.97Å; W90-L150 HydrophobicContact CE3-CB 4.47Å; W90-L150 HydrophobicContact CE3-CD1 3.81Å; W90-L150 HydrophobicContact CG-CB 3.62Å; W90-L150 HydrophobicContact CH2-CD1 4.35Å; W90-L150 HydrophobicContact CZ2-CD1 4.48Å; W90-L150 HydrophobicContact CZ3-CD1 4.02Å; M147-L150 VanDerWaalsContact O-CB 3.29Å; M147-L150 WeakPolarHBondContact O-CB 3.39Å; M147-L150 PolarHBondContact O-N 3.02Å; M147-L150 VanDerWaalsContact O-N 3.11Å; Y148-L150 PolarHBondContact O-N 3.25Å; L150-P167 HydrophobicContact CD2-CB 4.14Å; L150-Y168 HydrophobicContact CD2-CD2 3.88Å; L150-Y168 HydrophobicContact CD2-CE2 3.4Å; L150-Y168 VanDerWaalsContact CD2-CE2 3.4Å; L150-Y168 HydrophobicContact CG-CE2 3.84Å
151G90.9Very high91.2Very high1 Ų136 Ų361%0.0119%0.185CC..G310 helixtrans-82.5-6.4-179.900000115.3Y148 P149 G153 N154Y148-G151 PolarHBondContact O-N 3.43Å; P149-G151 PolarHBondContact O-N 3.27Å; G151-G153 PolarHBondContact O-N 2.84Å; G151-G153 VanDerWaalsContact O-N 3.11Å; G151-N154 PolarHBondContact O-N 3.18Å; G151-N154 PolarHBondContact O-OD1 3.45Å
152W89.9Confident90.5Very high3 Ų337.2 Ų37.21%0.01120%0.197CC..G310 helixtrans-68.7-7.8-176-63.9-15.9000115.1L34 Y148 P149 N154 A157 L170 I187L34-W152 HydrophobicContact CD1-CZ2 4.01Å; L34-W152 HydrophobicContact CD2-CG 4.49Å; Y148-W152 HydrophobicContact CD1-CZ2 4.42Å; Y148-W152 AromaticContact CD1-NE1 3.73Å; Y148-W152 HydrophobicContact CE1-CZ2 4.46Å; Y148-W152 AromaticContact CE1-NE1 3.45Å; P149-W152 HydrophobicContact CB-CD2 4.06Å; P149-W152 HydrophobicContact CB-CE3 3.92Å; P149-W152 HydrophobicContact CB-CH2 3.81Å; P149-W152 HydrophobicContact CB-CZ2 3.93Å; P149-W152 HydrophobicContact CB-CZ3 3.77Å; P149-W152 HydrophobicContact CG-CH2 3.89Å; P149-W152 HydrophobicContact CG-CZ2 3.87Å; P149-W152 HydrophobicContact CG-CZ3 4.35Å; P149-W152 PolarHBondContact O-N 3.23Å; W152-N154 PolarHBondContact O-N 3.24Å; W152-A157 WeakPolarHBondContact O-CB 3.46Å; W152-L170 HydrophobicContact CB-CD2 4.07Å; W152-L170 HydrophobicContact CD2-CD1 4.25Å; W152-L170 HydrophobicContact CD2-CD2 3.79Å; W152-L170 HydrophobicContact CD2-CG 4.15Å; W152-L170 HydrophobicContact CE3-CD1 3.71Å; W152-L170 HydrophobicContact CE3-CD2 3.63Å; W152-L170 HydrophobicContact CE3-CG 3.49Å; W152-L170 VanDerWaalsContact CE3-CG 3.49Å; W152-L170 HydrophobicContact CG-CD2 4.05Å; W152-L170 HydrophobicContact CH2-CD1 3.84Å; W152-L170 HydrophobicContact CZ2-CD1 4.38Å; W152-L170 HydrophobicContact CZ3-CD1 3.5Å; W152-L170 HydrophobicContact CZ3-CD2 4.31Å; W152-L170 HydrophobicContact CZ3-CG 3.73Å; W152-I187 HydrophobicContact CH2-CD1 3.95Å; W152-I187 HydrophobicContact CZ3-CD1 3.69Å; W152-I187 HydrophobicContact CZ3-CG2 3.97Å
153G87.2Confident89.9Confident26 Ų2646.3 Ų46.327%0.26823%0.225SC..G310 helixtrans-792.7175.300000115.4G151 K158G151-G153 PolarHBondContact O-N 2.84Å; G151-G153 VanDerWaalsContact O-N 3.11Å; G153-K158 VanDerWaalsContact O-CE 3.22Å; G153-K158 WeakPolarHBondContact O-CE 3.16Å; G153-K158 PolarHBondContact O-NZ 2.94Å; G153-K158 VanDerWaalsContact O-NZ 3.14Å
154N90Very high89.1Confident15 Ų1549.6 Ų49.68%0.0824%0.237CC..SBendtrans-76.7164.9-178.670-36.9000113.1P87 T88 W91 G151 W152 E156 A157 K158P87-N154 HydrophobicContact CB-CB 4.3Å; P87-N154 VanDerWaalsContact CB-ND2 3.31Å; P87-N154 WeakPolarHBondContact CB-ND2 3.24Å; T88-N154 HydrophobicContact CG2-CB 3.49Å; T88-N154 VanDerWaalsContact CG2-CB 3.49Å; W91-N154 VanDerWaalsContact CH2-ND2 3.29Å; W91-N154 WeakPolarHBondContact CH2-ND2 3.06Å; W91-N154 WeakPolarHBondContact CZ3-ND2 3.37Å; G151-N154 PolarHBondContact O-N 3.18Å; G151-N154 PolarHBondContact O-OD1 3.45Å; W152-N154 PolarHBondContact O-N 3.24Å; N154-E156 VanDerWaalsContact C-N 3.29Å; N154-E156 PolarHBondContact O-N 3.05Å; N154-A157 PolarHBondContact O-N 2.94Å; N154-A157 WeakPolarHBondContact OD1-CB 3.31Å; N154-A157 PolarHBondContact OD1-N 3.39Å; N154-K158 WeakPolarHBondContact O-CB 3.24Å; N154-K158 WeakPolarHBondContact O-CG 3.47Å; N154-K158 PolarHBondContact O-N 3.4Å
155K90.5Very high88.3Confident188 Ų18849.8 Ų49.882%0.81724%0.238SC*.Hα-helixtrans-57.6-42.5-178.8-65.9-179.3-178.2176.70111.9K158 E159K155-K158 PolarHBondContact O-N 2.9Å; K155-E159 WeakPolarHBondContact O-CB 3.38Å; K155-E159 PolarHBondContact O-N 3.2Å
156E88.8Confident87.7Confident40 Ų4050.3 Ų50.319%0.18724%0.244CC..Hα-helixtrans-67.3-45.8-177-49.1-168.8-177.300112.6F49 R54 Y80 P87 N154 E159 A160F49-E156 HydrophobicContact CE1-CB 4.22Å; R54-E156 IonicContact CZ-OE1 2.76Å; R54-E156 IonicContact CZ-OE2 2.73Å; R54-E156 IonicContact NH1-OE1 3.84Å; R54-E156 PolarHBondContact NH1-OE1 3.05Å; R54-E156 IonicContact NH1-OE2 2.98Å; R54-E156 PolarHBondContact NH1-OE2 3.46Å; Y80-E156 PolarHBondContact OH-OE2 2.93Å; P87-E156 VanDerWaalsContact CG-CD 3.44Å; P87-E156 HydrophobicContact CG-CG 4.18Å; P87-E156 VanDerWaalsContact CG-OE1 3.23Å; P87-E156 WeakPolarHBondContact CG-OE1 3.31Å; N154-E156 VanDerWaalsContact C-N 3.29Å; N154-E156 PolarHBondContact O-N 3.05Å; E156-E159 PolarHBondContact O-N 3.09Å; E156-A160 PolarHBondContact O-N 3.39Å
157A87.7Confident87.1Confident0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-68.8-36.6175.400000111.1W152 N154 E159 A160 C161W152-A157 WeakPolarHBondContact O-CB 3.46Å; N154-A157 PolarHBondContact O-N 2.94Å; N154-A157 WeakPolarHBondContact OD1-CB 3.31Å; N154-A157 PolarHBondContact OD1-N 3.39Å; A157-E159 VanDerWaalsContact C-N 3.29Å; A157-E159 PolarHBondContact O-N 2.81Å; A157-A160 PolarHBondContact O-N 3.3Å; A157-C161 WeakPolarHBondContact O-CA 3.21Å; A157-C161 WeakPolarHBondContact O-CB 3.34Å; A157-C161 PolarHBondContact O-N 3.01Å; A157-C161 PolarHBondContact O-SG 2.98Å
158K88.4Confident86.4Confident82 Ų8252.7 Ų52.736%0.35726%0.256SS..Hα-helixtrans-64.1-32.8174.1-78.4175.1173167.20113.2G153 N154 K155 G162 A165G153-K158 VanDerWaalsContact O-CE 3.22Å; G153-K158 WeakPolarHBondContact O-CE 3.16Å; G153-K158 PolarHBondContact O-NZ 2.94Å; G153-K158 VanDerWaalsContact O-NZ 3.14Å; N154-K158 WeakPolarHBondContact O-CB 3.24Å; N154-K158 WeakPolarHBondContact O-CG 3.47Å; N154-K158 PolarHBondContact O-N 3.4Å; K155-K158 PolarHBondContact O-N 2.9Å; K158-G162 WeakPolarHBondContact CA-O 3.5Å; K158-G162 CarbonylContact O-C 3.56Å; K158-G162 WeakPolarHBondContact O-CA 3.38Å; K158-G162 PolarHBondContact O-N 2.81Å; K158-G162 VanDerWaalsContact O-O 3.13Å; K158-A165 WeakPolarHBondContact CE-O 3.43Å; K158-A165 HydrophobicContact CG-CB 4.08Å; K158-A165 WeakPolarHBondContact CG-O 3.4Å
159E87.1Confident85.3Confident114 Ų11455.1 Ų55.153%0.53327%0.272SS..Hα-helixtrans-67.5-41.5175.9-166.1176.4174.200111.2L38 K155 E156 A157L38-E159 HydrophobicContact CD2-CB 4.24Å; L38-E159 HydrophobicContact CD2-CG 3.75Å; K155-E159 WeakPolarHBondContact O-CB 3.38Å; K155-E159 PolarHBondContact O-N 3.2Å; E156-E159 PolarHBondContact O-N 3.09Å; A157-E159 VanDerWaalsContact C-N 3.29Å; A157-E159 PolarHBondContact O-N 2.81Å
160A87.4Confident83.9Confident1 Ų155.1 Ų55.11%0.00827%0.272CS..Hα-helixtrans-88.7-27.6-178.700000115.3E37 L38 A47 F49 E156 A157E37-A160 PolarHBondContact N-O 2.9Å; E37-A160 CarbonylContact O-C 3.5Å; E37-A160 WeakPolarHBondContact O-CA 3.24Å; E37-A160 VanDerWaalsContact O-O 3.06Å; L38-A160 HydrophobicContact CD2-CB 4.05Å; L38-A160 HydrophobicContact CG-CB 4.3Å; A47-A160 HydrophobicContact CB-CB 4.17Å; F49-A160 HydrophobicContact CE2-CB 3.44Å; F49-A160 VanDerWaalsContact CE2-CB 3.44Å; F49-A160 HydrophobicContact CZ-CB 3.5Å; E156-A160 PolarHBondContact O-N 3.39Å; A157-A160 PolarHBondContact O-N 3.3Å
161C85.9Confident81.8Confident5 Ų553.3 Ų53.33%0.03427%0.265CS..Hα-helixtrans-104.5-12.1-176.7-54.30000112.9A157 A165 L170 C191A157-C161 WeakPolarHBondContact O-CA 3.21Å; A157-C161 WeakPolarHBondContact O-CB 3.34Å; A157-C161 PolarHBondContact O-N 3.01Å; A157-C161 PolarHBondContact O-SG 2.98Å; C161-A165 HydrophobicContact CB-CB 3.83Å; C161-L170 HydrophobicContact CB-CD2 4.04Å; C161-C191 WeakPolarHBondContact CA-SG 3.39Å; C161-C191 HydrophobicContact CB-CB 3.78Å; C161-C191 WeakPolarHBondContact CB-SG 3.28Å; C161-C191 WeakPolarHBondContact SG-CB 3.14Å; C161-C191 CovalentContact SG-SG 2.01Å; C161-C191 PolarHBondContact SG-SG 3.26Å
162G83.7Confident79.4Confident25 Ų2559.3 Ų59.326%0.25830%0.296SS..  trans100.7158.7-175.400000113.2K158 Q164 A165K158-G162 WeakPolarHBondContact CA-O 3.5Å; K158-G162 CarbonylContact O-C 3.56Å; K158-G162 WeakPolarHBondContact O-CA 3.38Å; K158-G162 PolarHBondContact O-N 2.81Å; K158-G162 VanDerWaalsContact O-O 3.13Å; G162-Q164 PolarHBondContact O-N 3.18Å; G162-Q164 VanDerWaalsContact O-N 3.09Å; G162-A165 VanDerWaalsContact O-CB 3.31Å; G162-A165 WeakPolarHBondContact O-CB 3.45Å; G162-A165 PolarHBondContact O-N 3.41Å
163R83Confident77Confident235 Ų23566 Ų6689%0.88733%0.331SS*.THydrogen-bonded Turntrans-60.1-23.6-173.7-74.6-178.3159.6152.2-3.7114.9A165R163-A165 VanDerWaalsContact C-N 3.29Å
164Q78.9Confident74.8Confident129 Ų12976.2 Ų76.260%0.60336%0.361SS*.THydrogen-bonded Turntrans-81.9-3.7178.6-66.9-179.8-10.100113.4G162 G166G162-Q164 PolarHBondContact O-N 3.18Å; G162-Q164 VanDerWaalsContact O-N 3.09Å; Q164-G166 PolarHBondContact O-N 3.33Å
165A79.1Confident72.6Confident3 Ų378.9 Ų78.93%0.02537%0.372CS..EExtended strand (participates in β ladder)trans-63.8132.3175.600000111K158 C161 G162 R163 S169 L170K158-A165 WeakPolarHBondContact CE-O 3.43Å; K158-A165 HydrophobicContact CG-CB 4.08Å; K158-A165 WeakPolarHBondContact CG-O 3.4Å; C161-A165 HydrophobicContact CB-CB 3.83Å; G162-A165 VanDerWaalsContact O-CB 3.31Å; G162-A165 WeakPolarHBondContact O-CB 3.45Å; G162-A165 PolarHBondContact O-N 3.41Å; R163-A165 VanDerWaalsContact C-N 3.29Å; A165-S169 CarbonylContact C-O 3.54Å; A165-S169 WeakPolarHBondContact CA-O 3.31Å; A165-L170 HydrophobicContact CB-CD2 4.23Å
166G80.1Confident70.1Confident12 Ų1276.5 Ų76.512%0.12437%0.369CS..EExtended strand (participates in β ladder)trans-152.4-178.7-176.900000110.8Q164 Y168 S169Q164-G166 PolarHBondContact O-N 3.33Å; G166-Y168 PolarHBondContact O-N 3.4Å; G166-S169 CarbonylContact C-O 3.57Å; G166-S169 PolarHBondContact N-O 3.24Å; G166-S169 PolarHBondContact O-N 3Å; G166-S169 VanDerWaalsContact O-N 3.1Å
167P81.8Confident68.2Low80 Ų8075.9 Ų75.952%0.51937%0.369SS..THydrogen-bonded Turntrans-54.6122.4177.5-24.534.8000111.1P149 L150 S169P149-P167 WeakPolarHBondContact O-CA 3.35Å; L150-P167 HydrophobicContact CD2-CB 4.14Å; P167-S169 PolarHBondContact O-N 3.45Å
168Y78.8Confident66.4Low100 Ų10082.1 Ų82.139%0.39241%0.412SS..THydrogen-bonded Turntrans549.1-176-63.1-80.6000116.7L146 P149 L150 G166 I187L146-Y168 PolarHBondContact O-OH 3.25Å; P149-Y168 HydrophobicContact CB-CD1 3.45Å; P149-Y168 VanDerWaalsContact CB-CD1 3.45Å; P149-Y168 HydrophobicContact CB-CE1 3.55Å; P149-Y168 HydrophobicContact CB-CG 4.02Å; P149-Y168 HydrophobicContact CG-CD1 4.04Å; P149-Y168 HydrophobicContact CG-CE1 3.81Å; P149-Y168 PolarHBondContact O-N 3.33Å; L150-Y168 HydrophobicContact CD2-CD2 3.88Å; L150-Y168 HydrophobicContact CD2-CE2 3.4Å; L150-Y168 VanDerWaalsContact CD2-CE2 3.4Å; L150-Y168 HydrophobicContact CG-CE2 3.84Å; G166-Y168 PolarHBondContact O-N 3.4Å; Y168-I187 HydrophobicContact CD1-CD1 4.47Å; Y168-I187 WeakPolarHBondContact O-CG2 3.37Å
169S70.7Confident64.7Low51 Ų5179.7 Ų79.736%0.35741%0.405SS..EExtended strand (participates in β ladder)trans-130.7116.2-177.8-179.70000108.6A165 G166 P167A165-S169 CarbonylContact C-O 3.54Å; A165-S169 WeakPolarHBondContact CA-O 3.31Å; G166-S169 CarbonylContact C-O 3.57Å; G166-S169 PolarHBondContact N-O 3.24Å; G166-S169 PolarHBondContact O-N 3Å; G166-S169 VanDerWaalsContact O-N 3.1Å; P167-S169 PolarHBondContact O-N 3.45Å
170L60.2Low63.2Low3 Ų379.6 Ų79.62%0.01642%0.417CS..EExtended strand (participates in β ladder)trans-102.527.4178.8-66.4162.4000111.1L34 W152 C161 A165 I187 T188 G189 C191L34-L170 HydrophobicContact CD1-CD1 4.17Å; W152-L170 HydrophobicContact CB-CD2 4.07Å; W152-L170 HydrophobicContact CD2-CD1 4.25Å; W152-L170 HydrophobicContact CD2-CD2 3.79Å; W152-L170 HydrophobicContact CD2-CG 4.15Å; W152-L170 HydrophobicContact CE3-CD1 3.71Å; W152-L170 HydrophobicContact CE3-CD2 3.63Å; W152-L170 HydrophobicContact CE3-CG 3.49Å; W152-L170 VanDerWaalsContact CE3-CG 3.49Å; W152-L170 HydrophobicContact CG-CD2 4.05Å; W152-L170 HydrophobicContact CH2-CD1 3.84Å; W152-L170 HydrophobicContact CZ2-CD1 4.38Å; W152-L170 HydrophobicContact CZ3-CD1 3.5Å; W152-L170 HydrophobicContact CZ3-CD2 4.31Å; W152-L170 HydrophobicContact CZ3-CG 3.73Å; C161-L170 HydrophobicContact CB-CD2 4.04Å; A165-L170 HydrophobicContact CB-CD2 4.23Å; L170-I187 HydrophobicContact CB-CG2 4.03Å; L170-I187 HydrophobicContact CD1-CG2 3.88Å; L170-I187 HydrophobicContact CG-CG2 3.93Å; L170-T188 CarbonylContact C-O 3.52Å; L170-T188 WeakPolarHBondContact CA-O 3.31Å; L170-T188 WeakPolarHBondContact CB-O 3.48Å; L170-T188 PolarHBondContact N-O 3.49Å; L170-G189 WeakPolarHBondContact O-CA 3.31Å; L170-C191 HydrophobicContact CD1-CB 4.01Å; L170-C191 HydrophobicContact CD2-CB 4.12Å; L170-C191 HydrophobicContact CG-CB 4.5Å
171G48.8Very low61.5Low7 Ų784.6 Ų84.67%0.07244%0.443CS..  trans85.6173.3-179.200000114.7T188 G189G171-T188 PolarHBondContact N-O 3.48Å; G171-T188 CarbonylContact O-C 2.98Å; G171-T188 WeakPolarHBondContact O-CB 3.36Å; G171-T188 PolarHBondContact O-OG1 3.26Å; G171-G189 PolarHBondContact O-N 2.71Å
172N40Very low60Low127 Ų12785.4 Ų85.468%0.67945%0.447SS*.SBendtrans-90.1118.1-171.4-70.7-29.1000112.1
173I40Very low58.3Low142 Ų14290.6 Ų90.673%0.72846%0.464SS*.SBendtrans166.7148.3155.4-83.4148.6000110T188 G189I173-T188 WeakPolarHBondContact O-CA 3.34Å; I173-T188 WeakPolarHBondContact O-CB 3.47Å; I173-G189 PolarHBondContact O-N 2.98Å
174R39.3Very low56.6Low242 Ų24284.9 Ų84.991%0.91346%0.461SS*.  trans-65.1154.8-170.6-66.4-173.3-161.5-118.93.3116.1
175F43.7Very low55.1Low71 Ų7183.3 Ų83.331%0.31146%0.456SS..  trans-103.1148.3-173.1-154.6-101.1000114.1S177F175-S177 VanDerWaalsContact CD1-N 3.29Å; F175-S177 WeakPolarHBondContact CD1-OG 3.48Å; F175-S177 VanDerWaalsContact CE1-CB 3.45Å; F175-S177 WeakPolarHBondContact CE1-OG 3.43Å
176N39Very low53.2Low138 Ų13886.9 Ų86.974%0.73848%0.48SS*.  trans-124108156.9-174.63.6000107.3
177S47.9Very low51.6Low27 Ų2787.1 Ų87.119%0.18948%0.479CS..  trans-85141.6178.8-410000110.8F175F175-S177 VanDerWaalsContact CD1-N 3.29Å; F175-S177 WeakPolarHBondContact CD1-OG 3.48Å; F175-S177 VanDerWaalsContact CE1-CB 3.45Å; F175-S177 WeakPolarHBondContact CE1-OG 3.43Å
178S50.7Low50Low130 Ų13085.7 Ų85.791%0.90947%0.468SS*.SBendtrans-98.5-1.4158.2-52.80000113
179C51.8Low48.7Very low32 Ų3281.9 Ų81.922%0.21646%0.46CS..  trans-99.9104.9176.8-172.60000110L181 I182C179-L181 PolarHBondContact O-N 3.19Å; C179-L181 VanDerWaalsContact O-N 3.13Å; C179-I182 PolarHBondContact O-N 2.91Å
180S57.5Low48.6Very low111 Ų11186.9 Ų86.978%0.77648%0.475SS*.THydrogen-bonded Turntrans-60.7-21.3-178.4-48.40000113.9
181L50.5Low49.5Very low106 Ų10686.8 Ų86.856%0.55548%0.475SS*.THydrogen-bonded Turntrans-78.7-23.7-178.3-70.7172000114.2C179 I202C179-L181 PolarHBondContact O-N 3.19Å; C179-L181 VanDerWaalsContact O-N 3.13Å; L181-I202 HydrophobicContact CD1-CD1 4.11Å; L181-I202 HydrophobicContact CD1-CG1 3.56Å
182I54.7Low51.2Low22 Ų2291.9 Ų91.911%0.11350%0.495CS..SBendtrans-112.713.9-169.9-47.2174.4000111.1C179 S184 L185 I193 L201C179-I182 PolarHBondContact O-N 2.91Å; I182-S184 PolarHBondContact O-N 3.41Å; I182-L185 HydrophobicContact CG2-CB 3.54Å; I182-L185 HydrophobicContact CG2-CD2 4.44Å; I182-L185 PolarHBondContact O-N 2.71Å; I182-I193 HydrophobicContact CG2-CD1 4.41Å; I182-L201 HydrophobicContact CD1-CD1 3.62Å; I182-L201 HydrophobicContact CG1-CD1 4.26Å
183Q48.9Very low53.4Low134 Ų13487.4 Ų87.463%0.62647%0.471SS*.THydrogen-bonded Turntrans-59.8-23.9179.6-166.8151.8-11.300113.1
184S47.2Very low55.8Low116 Ų11681.1 Ų81.181%0.81144%0.441SS*.THydrogen-bonded Turntrans-79.8-21.9174.956.70000114.7I182 S186I182-S184 PolarHBondContact O-N 3.41Å; S184-S186 VanDerWaalsContact C-N 3.32Å; S184-S186 PolarHBondContact O-N 3.24Å
185L46Very low58.1Low96 Ų9675.6 Ų75.650%0.50342%0.421SS..SBendtrans-97.159.1177.4-146.880.9000109.3I182 I187I182-L185 HydrophobicContact CG2-CB 3.54Å; I182-L185 HydrophobicContact CG2-CD2 4.44Å; I182-L185 PolarHBondContact O-N 2.71Å; L185-I187 HydrophobicContact CD2-CD1 4.23Å; L185-I187 HydrophobicContact CG-CD1 4.45Å; L185-I187 PolarHBondContact O-N 3Å
186S39Very low60.5Low77 Ų7772.2 Ų72.254%0.53841%0.406SS..  trans-65.791.3176.8-87.70000110.4S184S184-S186 VanDerWaalsContact C-N 3.32Å; S184-S186 PolarHBondContact O-N 3.24Å
187I46.7Very low63Low18 Ų1866.2 Ų66.29%0.09237%0.373CS..  trans-94.3109.9170-58.3178.8000107.9W152 Y168 L170 L185W152-I187 HydrophobicContact CH2-CD1 3.95Å; W152-I187 HydrophobicContact CZ3-CD1 3.69Å; W152-I187 HydrophobicContact CZ3-CG2 3.97Å; Y168-I187 HydrophobicContact CD1-CD1 4.47Å; Y168-I187 WeakPolarHBondContact O-CG2 3.37Å; L170-I187 HydrophobicContact CB-CG2 4.03Å; L170-I187 HydrophobicContact CD1-CG2 3.88Å; L170-I187 HydrophobicContact CG-CG2 3.93Å; L185-I187 HydrophobicContact CD2-CD1 4.23Å; L185-I187 HydrophobicContact CG-CD1 4.45Å; L185-I187 PolarHBondContact O-N 3Å
188T49.5Very low65.1Low49 Ų4965.7 Ų65.730%0.30137%0.369SS..  trans-65.9135.918049.30000110.2L170 G171 I173L170-T188 CarbonylContact C-O 3.52Å; L170-T188 WeakPolarHBondContact CA-O 3.31Å; L170-T188 WeakPolarHBondContact CB-O 3.48Å; L170-T188 PolarHBondContact N-O 3.49Å; G171-T188 PolarHBondContact N-O 3.48Å; G171-T188 CarbonylContact O-C 2.98Å; G171-T188 WeakPolarHBondContact O-CB 3.36Å; G171-T188 PolarHBondContact O-OG1 3.26Å; I173-T188 WeakPolarHBondContact O-CA 3.34Å; I173-T188 WeakPolarHBondContact O-CB 3.47Å
189G50.9Low67.1Low21 Ų2161.8 Ų61.822%0.21634%0.338CS..BIsolated β-bridgetrans158.1164.2177.700000117.7L170 G171 I173 C191L170-G189 WeakPolarHBondContact O-CA 3.31Å; G171-G189 PolarHBondContact O-N 2.71Å; I173-G189 PolarHBondContact O-N 2.98Å; G189-C191 PolarHBondContact O-N 2.76Å
190K69.1Low69.1Low156 Ų15660.3 Ų60.368%0.67833%0.327SS*.SBendtrans-62.2-23.3171-74.6-173.7175-172.40112.5
191C79.1Confident70.8Confident1 Ų157.3 Ų57.31%0.00730%0.303CS..  trans-89.6142.3-178.9-80.80000112.7L34 K35 G36 C161 L170 G189L34-C191 HydrophobicContact CD1-CB 4Å; L34-C191 HydrophobicContact CG-CB 4.37Å; K35-C191 CarbonylContact O-C 3.59Å; K35-C191 WeakPolarHBondContact O-CA 3.43Å; K35-C191 WeakPolarHBondContact O-CB 3.44Å; K35-C191 PolarHBondContact O-SG 2.93Å; K35-C191 VanDerWaalsContact O-SG 3.42Å; G36-C191 WeakPolarHBondContact CA-SG 3.35Å; C161-C191 WeakPolarHBondContact CA-SG 3.39Å; C161-C191 HydrophobicContact CB-CB 3.78Å; C161-C191 WeakPolarHBondContact CB-SG 3.28Å; C161-C191 WeakPolarHBondContact SG-CB 3.14Å; C161-C191 CovalentContact SG-SG 2.01Å; C161-C191 PolarHBondContact SG-SG 3.26Å; L170-C191 HydrophobicContact CD1-CB 4.01Å; L170-C191 HydrophobicContact CD2-CB 4.12Å; L170-C191 HydrophobicContact CG-CB 4.5Å; G189-C191 PolarHBondContact O-N 2.76Å
192K83.6Confident72.9Confident113 Ų11355.4 Ų55.449%0.49129%0.292SS..EExtended strand (participates in β ladder)trans-112.9143.1175.9-62-175.4-179.5-172.80109.8K35 G194K35-K192 HydrophobicContact CB-CB 4.49Å; K35-K192 PolarHBondContact N-O 3.3Å; K35-K192 PolarHBondContact O-N 3.4Å; K192-G194 PolarHBondContact O-N 3.35Å
193I87.2Confident74.9Confident34 Ų3454.4 Ų54.417%0.17429%0.287CS..EExtended strand (participates in β ladder)trans-63.7129.9166.3-63.8178.3000107.8I182 Y197I182-I193 HydrophobicContact CG2-CD1 4.41Å; I193-Y197 HydrophobicContact CG2-CD1 3.44Å; I193-Y197 VanDerWaalsContact CG2-CD1 3.44Å; I193-Y197 HydrophobicContact CG2-CE1 4.28Å; I193-Y197 HydrophobicContact CG2-CG 3.84Å
194G88.9Confident77.1Confident9 Ų948.4 Ų48.49%0.09326%0.26CS..  trans-86161.8179.100000112.2Y32 W33 K192 A196 Y197Y32-G194 CarbonylContact O-C 3.57Å; Y32-G194 WeakPolarHBondContact O-CA 3.43Å; W33-G194 PolarHBondContact O-N 3.41Å; K192-G194 PolarHBondContact O-N 3.35Å; G194-A196 VanDerWaalsContact C-N 3.26Å; G194-A196 PolarHBondContact O-N 3.41Å; G194-Y197 WeakPolarHBondContact O-CB 3.46Å; G194-Y197 PolarHBondContact O-N 3.49Å
195Y89.3Confident79.4Confident126 Ų12648 Ų4849%0.49425%0.248SC..Hα-helixtrans-64.1-28.9-17469.6-91.6000113.4Y32 Y197 C198 I199Y32-Y195 VanDerWaalsContact CB-CE1 3.46Å; Y32-Y195 HydrophobicContact CD1-CE1 4.08Å; Y32-Y195 AromaticContact CD2-CE1 3.61Å; Y32-Y195 HydrophobicContact CD2-CE1 3.61Å; Y32-Y195 HydrophobicContact CD2-CE2 4.41Å; Y32-Y195 AromaticContact CD2-CZ 3.39Å; Y32-Y195 WeakPolarHBondContact CD2-OH 3.24Å; Y32-Y195 HydrophobicContact CE2-CE1 4.34Å; Y32-Y195 WeakPolarHBondContact CE2-OH 3.32Å; Y32-Y195 HydrophobicContact CG-CD1 4.35Å; Y32-Y195 AromaticContact CG-CE1 3.45Å; Y32-Y195 HydrophobicContact CG-CE1 3.45Å; Y32-Y195 VanDerWaalsContact CG-CE1 3.45Å; Y32-Y195 AromaticContact CG-CZ 3.76Å; Y32-Y195 PolarHBondContact O-N 3.37Å; Y195-Y197 PolarHBondContact O-N 2.72Å; Y195-C198 WeakPolarHBondContact O-CB 3.36Å; Y195-C198 PolarHBondContact O-N 3.3Å; Y195-C198 VanDerWaalsContact O-N 3.13Å; Y195-I199 WeakPolarHBondContact O-CG2 3.43Å; Y195-I199 PolarHBondContact O-N 2.96Å
196A92.9Very high81.8Confident0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-65.9-31.218000000111.9M30 Y32 G194 I199 L200M30-A196 HydrophobicContact CB-CB 3.77Å; Y32-A196 WeakPolarHBondContact O-CB 3.34Å; Y32-A196 PolarHBondContact O-N 3.02Å; Y32-A196 VanDerWaalsContact O-N 3.1Å; G194-A196 VanDerWaalsContact C-N 3.26Å; G194-A196 PolarHBondContact O-N 3.41Å; A196-I199 WeakPolarHBondContact O-CG1 3.26Å; A196-L200 PolarHBondContact O-N 3.49Å
197Y92.1Very high84.6Confident13 Ų1341.9 Ų41.95%0.05121%0.209CC..Hα-helixtrans-69.2-42.5172.5-172-90.7000111.3W33 C145 Y148 I193 G194 Y195 I199 L200 L201W33-Y197 HydrophobicContact CB-CD2 4.45Å; W33-Y197 HydrophobicContact CD2-CD2 4.19Å; W33-Y197 AromaticContact CE3-CD2 3.72Å; W33-Y197 HydrophobicContact CE3-CD2 3.72Å; W33-Y197 HydrophobicContact CE3-CE2 4.29Å; W33-Y197 HydrophobicContact CZ3-CD2 4.33Å; C145-Y197 HydrophobicContact CB-CE2 4.06Å; C145-Y197 PolarHBondContact O-OH 2.96Å; Y148-Y197 HydrophobicContact CD1-CD2 4.13Å; Y148-Y197 AromaticContact CD1-CE2 3.89Å; Y148-Y197 HydrophobicContact CD1-CE2 3.89Å; Y148-Y197 HydrophobicContact CG-CE2 4.47Å; I193-Y197 HydrophobicContact CG2-CD1 3.44Å; I193-Y197 VanDerWaalsContact CG2-CD1 3.44Å; I193-Y197 HydrophobicContact CG2-CE1 4.28Å; I193-Y197 HydrophobicContact CG2-CG 3.84Å; G194-Y197 WeakPolarHBondContact O-CB 3.46Å; G194-Y197 PolarHBondContact O-N 3.49Å; Y195-Y197 PolarHBondContact O-N 2.72Å; Y197-I199 PolarHBondContact O-N 2.89Å; Y197-L200 PolarHBondContact O-N 3.28Å; Y197-L201 HydrophobicContact CD1-CD1 4.06Å; Y197-L201 HydrophobicContact CD1-CG 4.48Å; Y197-L201 HydrophobicContact CE1-CD1 3.72Å; Y197-L201 HydrophobicContact CE1-CG 4.27Å; Y197-L201 PolarHBondContact O-N 2.97Å
198C91.1Very high86.9Confident16 Ų1644.9 Ų44.911%0.10822%0.222CC..Hα-helixtrans-64.1-40.7178.7-59.20000112.6Y195 L200 L201 I202Y195-C198 WeakPolarHBondContact O-CB 3.36Å; Y195-C198 PolarHBondContact O-N 3.3Å; Y195-C198 VanDerWaalsContact O-N 3.13Å; C198-L200 VanDerWaalsContact C-N 3.28Å; C198-L200 PolarHBondContact O-N 2.96Å; C198-L201 PolarHBondContact O-N 3.32Å; C198-I202 WeakPolarHBondContact O-CG1 3.39Å; C198-I202 PolarHBondContact O-N 2.82Å
199I93.1Very high89Confident48 Ų4844.6 Ų44.625%0.24623%0.225CC..Hα-helixtrans-65.9-30.5178.463.6178.2000112.2I23 Y195 A196 Y197 I202 D203I23-I199 HydrophobicContact CG2-CB 3.99Å; I23-I199 HydrophobicContact CG2-CG1 4.44Å; I23-I199 WeakPolarHBondContact CG2-O 3.46Å; Y195-I199 WeakPolarHBondContact O-CG2 3.43Å; Y195-I199 PolarHBondContact O-N 2.96Å; A196-I199 WeakPolarHBondContact O-CG1 3.26Å; Y197-I199 PolarHBondContact O-N 2.89Å; I199-I202 PolarHBondContact O-N 3.36Å; I199-D203 VanDerWaalsContact O-CB 3.31Å; I199-D203 WeakPolarHBondContact O-CB 3.45Å; I199-D203 PolarHBondContact O-N 3.5Å
200L94.6Very high91.2Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-69-36173.5-74.3170.5000112.8W33 V98 I141 A196 Y197 C198 D203 T204W33-L200 HydrophobicContact CD2-CD1 4.48Å; W33-L200 HydrophobicContact CH2-CD1 3.71Å; W33-L200 HydrophobicContact CZ2-CD1 3.14Å; V98-L200 HydrophobicContact CG1-CD1 4.35Å; V98-L200 HydrophobicContact CG1-CD2 4.43Å; I141-L200 HydrophobicContact CG2-CB 4.16Å; I141-L200 HydrophobicContact CG2-CD2 4.26Å; A196-L200 PolarHBondContact O-N 3.49Å; Y197-L200 PolarHBondContact O-N 3.28Å; C198-L200 VanDerWaalsContact C-N 3.28Å; C198-L200 PolarHBondContact O-N 2.96Å; L200-D203 WeakPolarHBondContact O-CB 3.5Å; L200-D203 PolarHBondContact O-N 3.41Å; L200-T204 PolarHBondContact O-N 3.34Å; L200-T204 PolarHBondContact O-OG1 3.1Å
201L93Very high92.4Very high49 Ų4936.4 Ų36.426%0.25718%0.184SC..Hα-helixtrans-67.9-40.4173.4-67.1178.6000111.6C145 I182 Y197 C198 D203 T204 L205C145-L201 HydrophobicContact CB-CD2 3.89Å; I182-L201 HydrophobicContact CD1-CD1 3.62Å; I182-L201 HydrophobicContact CG1-CD1 4.26Å; Y197-L201 HydrophobicContact CD1-CD1 4.06Å; Y197-L201 HydrophobicContact CD1-CG 4.48Å; Y197-L201 HydrophobicContact CE1-CD1 3.72Å; Y197-L201 HydrophobicContact CE1-CG 4.27Å; Y197-L201 PolarHBondContact O-N 2.97Å; C198-L201 PolarHBondContact O-N 3.32Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-T204 WeakPolarHBondContact O-CB 3.03Å; L201-T204 PolarHBondContact O-N 3.4Å; L201-L205 PolarHBondContact O-N 3.09Å
202I94.2Very high93.1Very high66 Ų6640.7 Ų40.734%0.33821%0.21SC..Hα-helixtrans-63.4-43.4173.1-67.7168000110.2L181 C198 I199 T204 L205 L206L181-I202 HydrophobicContact CD1-CD1 4.11Å; L181-I202 HydrophobicContact CD1-CG1 3.56Å; C198-I202 WeakPolarHBondContact O-CG1 3.39Å; C198-I202 PolarHBondContact O-N 2.82Å; I199-I202 PolarHBondContact O-N 3.36Å; I202-T204 VanDerWaalsContact C-N 3.28Å; I202-T204 PolarHBondContact O-N 2.94Å; I202-L205 WeakPolarHBondContact O-CB 3.42Å; I202-L205 PolarHBondContact O-N 3.23Å; I202-L205 VanDerWaalsContact O-N 3.07Å; I202-L206 HydrophobicContact CG2-CD1 4.07Å; I202-L206 HydrophobicContact CG2-CG 4.28Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.87Å
203D96.4Very high93.5Very high0 Ų037.7 Ų37.70%020%0.199CC..Hα-helixtrans-58.1-41.1177.4-168.663.2000112T20 I23 A24 I199 L200 L201 L205 L206 L207T20-D203 WeakPolarHBondContact CA-OD1 3.35Å; T20-D203 VanDerWaalsContact CB-OD1 3.28Å; T20-D203 WeakPolarHBondContact CB-OD1 3.47Å; I23-D203 HydrophobicContact CB-CB 4.45Å; I23-D203 HydrophobicContact CG2-CB 3.8Å; A24-D203 WeakPolarHBondContact CB-OD2 3.19Å; I199-D203 VanDerWaalsContact O-CB 3.31Å; I199-D203 WeakPolarHBondContact O-CB 3.45Å; I199-D203 PolarHBondContact O-N 3.5Å; L200-D203 WeakPolarHBondContact O-CB 3.5Å; L200-D203 PolarHBondContact O-N 3.41Å; L201-D203 VanDerWaalsContact C-N 3.34Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.97Å; D203-L206 CarbonylContact O-C 3.58Å; D203-L206 PolarHBondContact O-N 3.22Å; D203-L206 VanDerWaalsContact O-N 3.09Å; D203-L207 WeakPolarHBondContact O-CG 3.43Å; D203-L207 PolarHBondContact O-N 3.39Å
204T95.8Very high93.7Very high9 Ų936 Ų366%0.05519%0.19CC..Hα-helixtrans-55.8-44.3174.8-58.20000111.5A138 I141 C142 L200 L201 I202 L207 F208A138-T204 HydrophobicContact CB-CG2 4.08Å; I141-T204 WeakPolarHBondContact CG2-OG1 3.49Å; C142-T204 HydrophobicContact CB-CG2 4.06Å; L200-T204 PolarHBondContact O-N 3.34Å; L200-T204 PolarHBondContact O-OG1 3.1Å; L201-T204 WeakPolarHBondContact O-CB 3.03Å; L201-T204 PolarHBondContact O-N 3.4Å; I202-T204 VanDerWaalsContact C-N 3.28Å; I202-T204 PolarHBondContact O-N 2.94Å; T204-L207 PolarHBondContact O-N 3.28Å; T204-F208 HydrophobicContact CG2-CD2 4.3Å; T204-F208 HydrophobicContact CG2-CE2 3.85Å; T204-F208 WeakPolarHBondContact O-CD2 3.32Å; T204-F208 PolarHBondContact O-N 3.47Å
205L95.4Very high93.8Very high106 Ų10638.7 Ų38.756%0.55521%0.205SC*.Hα-helixtrans-67.3-40.2176.3-62.2176.1000112L201 I202 D203 L207 F208 A209L201-L205 PolarHBondContact O-N 3.09Å; I202-L205 WeakPolarHBondContact O-CB 3.42Å; I202-L205 PolarHBondContact O-N 3.23Å; I202-L205 VanDerWaalsContact O-N 3.07Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.97Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.87Å; L205-F208 PolarHBondContact O-N 3.23Å; L205-A209 PolarHBondContact O-N 2.87Å; L205-A209 VanDerWaalsContact O-N 3.09Å
206L96.1Very high93.9Very high46 Ų4635.7 Ų35.724%0.24120%0.2CC..Hα-helixtrans-65.2-34.9176.3-66.3176.1000111.8L16 T20 I23 I202 D203 A209 C210L16-L206 HydrophobicContact CD1-CD2 4.32Å; T20-L206 HydrophobicContact CG2-CB 3.38Å; T20-L206 HydrophobicContact CG2-CD1 4.26Å; T20-L206 HydrophobicContact CG2-CG 4.46Å; I23-L206 HydrophobicContact CD1-CD1 3.78Å; I202-L206 HydrophobicContact CG2-CD1 4.07Å; I202-L206 HydrophobicContact CG2-CG 4.28Å; I202-L206 WeakPolarHBondContact O-CG 3.31Å; I202-L206 PolarHBondContact O-N 2.87Å; D203-L206 CarbonylContact O-C 3.58Å; D203-L206 PolarHBondContact O-N 3.22Å; D203-L206 VanDerWaalsContact O-N 3.09Å; L206-A209 CarbonylContact O-C 3.6Å; L206-A209 WeakPolarHBondContact O-CB 3.28Å; L206-A209 PolarHBondContact O-N 3.5Å; L206-C210 PolarHBondContact O-N 3.45Å; L206-C210 PolarHBondContact O-SG 3.3Å; L206-C210 VanDerWaalsContact O-SG 3.39Å
207L97.5Very high93.6Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-66-38.7174.7-74.6171.1000112.3T20 T105 A137 A138 I141 D203 T204 L205 A209 C210 A211T20-L207 HydrophobicContact CG2-CD2 4.36Å; T20-L207 HydrophobicContact CG2-CG 4.44Å; T105-L207 HydrophobicContact CG2-CD2 3.73Å; A137-L207 HydrophobicContact CB-CD1 4.18Å; A138-L207 HydrophobicContact CB-CB 3.81Å; A138-L207 HydrophobicContact CB-CD1 4.21Å; I141-L207 HydrophobicContact CD1-CD1 3.81Å; D203-L207 WeakPolarHBondContact O-CG 3.43Å; D203-L207 PolarHBondContact O-N 3.39Å; T204-L207 PolarHBondContact O-N 3.28Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.87Å; L207-A209 VanDerWaalsContact C-N 3.32Å; L207-C210 WeakPolarHBondContact O-CB 3.4Å; L207-C210 PolarHBondContact O-N 3.14Å; L207-A211 PolarHBondContact O-N 3.29Å
208F95.2Very high93.4Very high81 Ų8135.1 Ų35.136%0.35520%0.198SC..Hα-helixtrans-62.2-41.1170.3-75.3-65.6000111.5I135 A138 M139 T204 L205 A211 V212I135-F208 HydrophobicContact CG2-CE1 4.35Å; A138-F208 HydrophobicContact CB-CD2 4.19Å; A138-F208 HydrophobicContact CB-CE1 4.3Å; A138-F208 HydrophobicContact CB-CE2 3.87Å; A138-F208 HydrophobicContact CB-CZ 3.92Å; M139-F208 HydrophobicContact SD-CZ 4.47Å; T204-F208 HydrophobicContact CG2-CD2 4.3Å; T204-F208 HydrophobicContact CG2-CE2 3.85Å; T204-F208 WeakPolarHBondContact O-CD2 3.32Å; T204-F208 PolarHBondContact O-N 3.47Å; L205-F208 PolarHBondContact O-N 3.23Å; F208-A211 PolarHBondContact O-N 2.92Å; F208-V212 WeakPolarHBondContact O-CG2 3.28Å; F208-V212 PolarHBondContact O-N 3.42Å
209A94.9Very high93.2Very high43 Ų4341.2 Ų41.236%0.35522%0.222SC..Hα-helixtrans-63.7-41.3174.200000112.2L16 L205 L206 L207 A211 V212 L213L16-A209 HydrophobicContact CD2-CB 4.25Å; L205-A209 PolarHBondContact O-N 2.87Å; L205-A209 VanDerWaalsContact O-N 3.09Å; L206-A209 CarbonylContact O-C 3.6Å; L206-A209 WeakPolarHBondContact O-CB 3.28Å; L206-A209 PolarHBondContact O-N 3.5Å; L207-A209 VanDerWaalsContact C-N 3.32Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 3.25Å; A209-V212 PolarHBondContact O-N 3.49Å; A209-L213 WeakPolarHBondContact O-CG 3.43Å; A209-L213 PolarHBondContact O-N 3.43Å
210C95.8Very high92.8Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-56.5-45.5172.2-75.70000111.5W13 L16 Q134 L206 L207 V212 L213 S214W13-C210 VanDerWaalsContact CD1-O 3.3Å; W13-C210 PolarHBondContact NE1-O 3.48Å; L16-C210 VanDerWaalsContact CD2-SG 3.55Å; L16-C210 WeakPolarHBondContact CG-SG 3.39Å; Q134-C210 HydrophobicContact CG-CB 4.42Å; Q134-C210 PolarHBondContact OE1-O 2.93Å; L206-C210 PolarHBondContact O-N 3.45Å; L206-C210 PolarHBondContact O-SG 3.3Å; L206-C210 VanDerWaalsContact O-SG 3.39Å; L207-C210 WeakPolarHBondContact O-CB 3.4Å; L207-C210 PolarHBondContact O-N 3.14Å; C210-V212 PolarHBondContact O-N 3.44Å; C210-L213 PolarHBondContact O-N 2.84Å; C210-S214 WeakPolarHBondContact O-CB 3.45Å; C210-S214 PolarHBondContact O-N 2.85Å
211A95.1Very high92.1Very high5 Ų546.3 Ų46.34%0.04124%0.243CC..Hα-helixtrans-63.2-40.817900000112.2Q134 I135 L207 F208 A209 S214 T215Q134-A211 HydrophobicContact CB-CB 4.21Å; I135-A211 HydrophobicContact CD1-CB 4Å; I135-A211 HydrophobicContact CG1-CB 3.53Å; L207-A211 PolarHBondContact O-N 3.29Å; F208-A211 PolarHBondContact O-N 2.92Å; A209-A211 VanDerWaalsContact C-N 3.32Å; A209-A211 PolarHBondContact O-N 3.25Å; A211-S214 VanDerWaalsContact O-CB 3.31Å; A211-S214 WeakPolarHBondContact O-CB 3.47Å; A211-S214 PolarHBondContact O-N 3.49Å; A211-T215 WeakPolarHBondContact O-CG2 3.46Å; A211-T215 PolarHBondContact O-N 3.16Å
212V93.5Very high91.6Very high91 Ų9145.5 Ų45.555%0.55224%0.239SC*.Hα-helixtrans-62.3-44.8174.4173.70000111F208 A209 C210 S214 T215 T216F208-V212 WeakPolarHBondContact O-CG2 3.28Å; F208-V212 PolarHBondContact O-N 3.42Å; A209-V212 PolarHBondContact O-N 3.49Å; C210-V212 PolarHBondContact O-N 3.44Å; V212-S214 VanDerWaalsContact C-N 3.29Å; V212-S214 PolarHBondContact O-N 2.96Å; V212-T215 PolarHBondContact O-N 3.43Å; V212-T215 PolarHBondContact O-OG1 3.01Å; V212-T216 PolarHBondContact O-N 2.89Å; V212-T216 PolarHBondContact O-OG1 3.4Å
213L91.9Very high90.9Very high49 Ų4949.3 Ų49.326%0.25725%0.249SC..Hα-helixtrans-62.3-38.1175.7-71.2176.9000112W13 L16 A209 C210 T216 A217W13-L213 HydrophobicContact CB-CB 3.98Å; W13-L213 HydrophobicContact CB-CD1 4.48Å; W13-L213 HydrophobicContact CG-CB 4.11Å; L16-L213 HydrophobicContact CD2-CD1 3.74Å; A209-L213 WeakPolarHBondContact O-CG 3.43Å; A209-L213 PolarHBondContact O-N 3.43Å; C210-L213 PolarHBondContact O-N 2.84Å; L213-T216 PolarHBondContact O-N 3.14Å; L213-A217 WeakPolarHBondContact O-CB 3.29Å; L213-A217 PolarHBondContact O-N 3.02Å
214S92.2Very high90.2Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-60-46.8175.4-169.80000112.3W13 A127 G131 C210 A211 V212 T216 A217 A218W13-S214 WeakPolarHBondContact CH2-OG 3.06Å; W13-S214 VanDerWaalsContact CZ2-CB 3.46Å; W13-S214 WeakPolarHBondContact CZ2-OG 3.44Å; A127-S214 PolarHBondContact O-OG 3.24Å; G131-S214 PolarHBondContact N-OG 3.07Å; C210-S214 WeakPolarHBondContact O-CB 3.45Å; C210-S214 PolarHBondContact O-N 2.85Å; A211-S214 VanDerWaalsContact O-CB 3.31Å; A211-S214 WeakPolarHBondContact O-CB 3.47Å; A211-S214 PolarHBondContact O-N 3.49Å; V212-S214 VanDerWaalsContact C-N 3.29Å; V212-S214 PolarHBondContact O-N 2.96Å; S214-T216 VanDerWaalsContact C-N 3.3Å; S214-T216 PolarHBondContact O-N 3.5Å; S214-A217 PolarHBondContact O-N 3.01Å; S214-A218 WeakPolarHBondContact O-CB 3.49Å; S214-A218 PolarHBondContact O-N 2.86Å
215T91Very high89.4Confident65 Ų6558.3 Ų58.340%0.39929%0.287SS..Hα-helixtrans-65.2-35.2175.965.50000112.2A211 V212 A218 K219A211-T215 WeakPolarHBondContact O-CG2 3.46Å; A211-T215 PolarHBondContact O-N 3.16Å; V212-T215 PolarHBondContact O-N 3.43Å; V212-T215 PolarHBondContact O-OG1 3.01Å; T215-A218 PolarHBondContact O-N 3.47Å; T215-K219 WeakPolarHBondContact O-CG 3.02Å; T215-K219 PolarHBondContact O-N 2.99Å
216T90.1Very high88.9Confident62 Ų6257.7 Ų57.738%0.3828%0.284SS..Hα-helixtrans-68.1-43177.1-55.20000111.1T9 V212 L213 S214 K219 K220T9-T216 HydrophobicContact CG2-CG2 4.02Å; V212-T216 PolarHBondContact O-N 2.89Å; V212-T216 PolarHBondContact O-OG1 3.4Å; L213-T216 PolarHBondContact O-N 3.14Å; S214-T216 VanDerWaalsContact C-N 3.3Å; S214-T216 PolarHBondContact O-N 3.5Å; T216-K219 PolarHBondContact O-N 3.16Å; T216-K220 PolarHBondContact O-N 3.19Å
217A87.3Confident88.3Confident0 Ų059.2 Ų59.20%029%0.293CS..Hα-helixtrans-60.2-45.717300000110.9T9 W13 L213 S214 K219 K220 F221T9-A217 HydrophobicContact CG2-CB 4.25Å; W13-A217 HydrophobicContact CE3-CB 4.33Å; L213-A217 WeakPolarHBondContact O-CB 3.29Å; L213-A217 PolarHBondContact O-N 3.02Å; S214-A217 PolarHBondContact O-N 3.01Å; A217-K219 PolarHBondContact O-N 2.93Å; A217-K220 PolarHBondContact O-N 3.09Å; A217-K220 VanDerWaalsContact O-N 3.14Å; A217-F221 WeakPolarHBondContact O-CD2 3.43Å; A217-F221 PolarHBondContact O-N 2.75Å
218A87.5Confident87.5Confident1 Ų163.3 Ų63.31%0.00833%0.326CS..Hα-helixtrans-59.8-41.5176.800000112.9R124 A127 R128 S214 T215 F221 D222R124-A218 HydrophobicContact CG-CB 4.48Å; A127-A218 HydrophobicContact CB-CB 3.9Å; R128-A218 HydrophobicContact CG-CB 3.98Å; S214-A218 WeakPolarHBondContact O-CB 3.49Å; S214-A218 PolarHBondContact O-N 2.86Å; T215-A218 PolarHBondContact O-N 3.47Å; A218-F221 PolarHBondContact O-N 3.05Å; A218-D222 PolarHBondContact O-N 3.02Å
219K87.2Confident86.8Confident145 Ų14566.8 Ų66.863%0.6334%0.341SS*.Hα-helixtrans-64.7-39.6174.5-74.8178-178.7179.60111.7T215 T216 A217 F221 D222 W223T215-K219 WeakPolarHBondContact O-CG 3.02Å; T215-K219 PolarHBondContact O-N 2.99Å; T216-K219 PolarHBondContact O-N 3.16Å; A217-K219 PolarHBondContact O-N 2.93Å; K219-F221 PolarHBondContact O-N 3.24Å; K219-D222 WeakPolarHBondContact O-CB 3.42Å; K219-D222 PolarHBondContact O-N 3.32Å; K219-D222 VanDerWaalsContact O-N 3.16Å; K219-W223 PolarHBondContact O-N 2.98Å
220K84.4Confident85.6Confident86 Ų8671.4 Ų71.437%0.37436%0.355SS..Hα-helixtrans-65.9-37.5178.6-171.958175.4174.60112.4T7 T216 A217 D222 W223 N224T7-K220 HydrophobicContact CG2-CG 4.2Å; T216-K220 PolarHBondContact O-N 3.19Å; A217-K220 PolarHBondContact O-N 3.09Å; A217-K220 VanDerWaalsContact O-N 3.14Å; K220-D222 VanDerWaalsContact C-N 3.31Å; K220-D222 PolarHBondContact O-N 3.25Å; K220-W223 PolarHBondContact O-N 3.31Å; K220-N224 WeakPolarHBondContact CE-OD1 3.26Å; K220-N224 VanDerWaalsContact O-CG 3.28Å; K220-N224 PolarHBondContact O-N 3.33Å; K220-N224 PolarHBondContact O-OD1 3.21Å
221F80.7Confident83.8Confident69 Ų6976.1 Ų76.130%0.30339%0.386SS..Hα-helixtrans-61.2-40171.3-73.8-63.3000112.2I122 A217 A218 K219 R225I122-F221 HydrophobicContact CG2-CE2 3.71Å; I122-F221 HydrophobicContact CG2-CZ 4.14Å; A217-F221 WeakPolarHBondContact O-CD2 3.43Å; A217-F221 PolarHBondContact O-N 2.75Å; A218-F221 PolarHBondContact O-N 3.05Å; K219-F221 PolarHBondContact O-N 3.24Å; F221-R225 WeakPolarHBondContact O-CB 3.41Å; F221-R225 PolarHBondContact O-N 2.9Å; F221-R225 VanDerWaalsContact O-N 3.11Å
222D81.3Confident82Confident32 Ų3282.1 Ų82.117%0.17142%0.422CS..Hα-helixtrans-66.3-44.8177.5-154.933.3000111.7R124 A218 K219 K220 N224 R225 L226R124-D222 IonicContact CZ-OD1 3.34Å; R124-D222 IonicContact CZ-OD2 3.05Å; R124-D222 IonicContact NE-OD1 3.84Å; R124-D222 IonicContact NE-OD2 3.72Å; R124-D222 IonicContact NH1-OD1 2.92Å; R124-D222 PolarHBondContact NH1-OD1 2.97Å; R124-D222 IonicContact NH1-OD2 3.3Å; R124-D222 PolarHBondContact NH1-OD2 3.13Å; R124-D222 IonicContact NH2-OD1 2.79Å; R124-D222 IonicContact NH2-OD2 3.89Å; R124-D222 PolarHBondContact NH2-OD2 3.49Å; A218-D222 PolarHBondContact O-N 3.02Å; K219-D222 WeakPolarHBondContact O-CB 3.42Å; K219-D222 PolarHBondContact O-N 3.32Å; K219-D222 VanDerWaalsContact O-N 3.16Å; K220-D222 VanDerWaalsContact C-N 3.31Å; K220-D222 PolarHBondContact O-N 3.25Å; D222-N224 PolarHBondContact O-N 3.11Å; D222-R225 PolarHBondContact O-N 2.97Å; D222-R225 IonicContact OD1-CZ 3.68Å; D222-R225 IonicContact OD1-NE 3.75Å; D222-R225 IonicContact OD1-NH2 3.98Å; D222-R225 PolarHBondContact OD1-NH2 3.03Å; D222-L226 WeakPolarHBondContact O-CG 3.46Å; D222-L226 PolarHBondContact O-N 3.4Å
223W80.2Confident80Confident145 Ų14582.6 Ų82.655%0.54943%0.43SS..Hα-helixtrans-57.8-49.2175.5-178.2-84.4000112.2K219 K220 R225 L226 N227K219-W223 PolarHBondContact O-N 2.98Å; K220-W223 PolarHBondContact O-N 3.31Å; W223-R225 VanDerWaalsContact C-N 3.25Å; W223-R225 PolarHBondContact O-N 3.32Å; W223-L226 PolarHBondContact O-N 3.49Å; W223-N227 PolarHBondContact NE1-ND2 2.91Å; W223-N227 PolarHBondContact O-N 2.98Å; W223-N227 PolarHBondContact O-OD1 2.99Å
224N81.2Confident78Confident71 Ų7185.7 Ų85.738%0.3846%0.455SS..Hα-helixtrans-62.6-35179.4-69.5-1.7000111.8K220 D222 A228K220-N224 WeakPolarHBondContact CE-OD1 3.26Å; K220-N224 VanDerWaalsContact O-CG 3.28Å; K220-N224 PolarHBondContact O-N 3.33Å; K220-N224 PolarHBondContact O-OD1 3.21Å; D222-N224 PolarHBondContact O-N 3.11Å; N224-A228 WeakPolarHBondContact O-CB 3.27Å; N224-A228 PolarHBondContact O-N 3.2Å
225R79.5Confident75.9Confident127 Ų12791.1 Ų91.148%0.47949%0.493SS..Hα-helixtrans-70.5-36.2176.6-173.2179.164.4158.63.1112.6F221 D222 W223 K229F221-R225 WeakPolarHBondContact O-CB 3.41Å; F221-R225 PolarHBondContact O-N 2.9Å; F221-R225 VanDerWaalsContact O-N 3.11Å; D222-R225 PolarHBondContact O-N 2.97Å; D222-R225 IonicContact OD1-CZ 3.68Å; D222-R225 IonicContact OD1-NE 3.75Å; D222-R225 IonicContact OD1-NH2 3.98Å; D222-R225 PolarHBondContact OD1-NH2 3.03Å; W223-R225 VanDerWaalsContact C-N 3.25Å; W223-R225 PolarHBondContact O-N 3.32Å; R225-K229 WeakPolarHBondContact O-CG 3.33Å; R225-K229 PolarHBondContact O-N 3.22Å
226L83.4Confident73.8Confident94 Ų9492.1 Ų92.149%0.49251%0.508SS..Hα-helixtrans-67.7-47.5175.2-69.8172.2000110.9D222 W223 A228 K229 E230D222-L226 WeakPolarHBondContact O-CG 3.46Å; D222-L226 PolarHBondContact O-N 3.4Å; W223-L226 PolarHBondContact O-N 3.49Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.16Å; L226-K229 WeakPolarHBondContact O-CB 3.45Å; L226-K229 PolarHBondContact O-N 3.03Å; L226-E230 PolarHBondContact O-N 3.48Å; L226-E230 VanDerWaalsContact O-N 3.13Å
227N84.6Confident71.6Confident78 Ų7894.1 Ų94.142%0.41753%0.525SS..Hα-helixtrans-63.3-31.6177.1-72.321.9000112.7W223 K229W223-N227 PolarHBondContact NE1-ND2 2.91Å; W223-N227 PolarHBondContact O-N 2.98Å; W223-N227 PolarHBondContact O-OD1 2.99Å; N227-K229 VanDerWaalsContact C-N 3.3Å
228A80.6Confident69.6Low85 Ų85100.9 Ų100.970%0.70257%0.566SS**Hα-helixtrans-72.5-23.2173.900000113.3N224 L226N224-A228 WeakPolarHBondContact O-CB 3.27Å; N224-A228 PolarHBondContact O-N 3.2Å; L226-A228 VanDerWaalsContact C-N 3.26Å; L226-A228 PolarHBondContact O-N 3.16Å
229K80.9Confident67.5Low154 Ų154107.3 Ų107.367%0.6761%0.605SS**Hα-helixtrans-84.8-20.4175.7-78.3-175.7176.7-164.80113R225 L226 N227 P231R225-K229 WeakPolarHBondContact O-CG 3.33Å; R225-K229 PolarHBondContact O-N 3.22Å; L226-K229 WeakPolarHBondContact O-CB 3.45Å; L226-K229 PolarHBondContact O-N 3.03Å; N227-K229 VanDerWaalsContact C-N 3.3Å; K229-P231 WeakPolarHBondContact O-CD 3.05Å; K229-P231 VanDerWaalsContact O-N 3.15Å
230E68.7Low66Low140 Ų140111.5 Ų111.565%0.65463%0.633SS**SBendtrans-69.5103.7174.3-156.6164.2-147.800107.1L226 T232L226-E230 PolarHBondContact O-N 3.48Å; L226-E230 VanDerWaalsContact O-N 3.13Å; E230-T232 PolarHBondContact O-N 3.42Å
231P58.9Low65.1Low99 Ų99112.8 Ų112.864%0.64365%0.646SS**  trans-61.6143.6175.928.4-32.1000107.1K229 S233K229-P231 WeakPolarHBondContact O-CD 3.05Å; K229-P231 VanDerWaalsContact O-N 3.15Å; P231-S233 PolarHBondContact O-N 2.62Å; P231-S233 PolarHBondContact O-OG 3.11Å
232T56.3Low64.2Low132 Ų132115.1 Ų115.181%0.8166%0.664SS**  trans-57.877.316847.10000109.7E230 S234E230-T232 PolarHBondContact O-N 3.42Å; T232-S234 PolarHBondContact O-N 3.02Å; T232-S234 VanDerWaalsContact O-N 3.11Å
233S50.9Low63.3Low101 Ų101119.7 Ų119.771%0.70669%0.692SS**  trans-83.554.7165.952.10000108.2P231P231-S233 PolarHBondContact O-N 2.62Å; P231-S233 PolarHBondContact O-OG 3.11Å
234S52Low62.3Low114 Ų114118.2 Ų118.280%0.79770%0.7SS**  trans-140.258.2161.9-84.10000107.5T232T232-S234 PolarHBondContact O-N 3.02Å; T232-S234 VanDerWaalsContact O-N 3.11Å
235S47.8Very low61.1Low113 Ų113121.2 Ų121.279%0.7972%0.72SS**  trans-149.459.2162.5-59.30000107.4
236A46Very low59.9Low87 Ų87120.8 Ų120.872%0.71974%0.736SS**  trans-144.6124.2164.300000109
237S44.8Very low58.2Low103 Ų103122.7 Ų122.772%0.7275%0.754SS**  trans66.497.5158.347.90000118.6
238V45.3Very low56.2Low142 Ų142126.2 Ų126.286%0.86178%0.779SS**  -136.188.7106.9-173.60000107.8
239T43.4Very low54.1Low136 Ų136129.6 Ų129.683%0.83479%0.786SS**  trans-84.1113.5151.816.70000106.6
240L54.4Low51.7Low234 Ų234127.4 Ų127.4100%1.22580%0.796SS**  trans-137.90149.1-94.4169000106.9

Retrieved 240 of 240 residues in 648 ms (Link to these results)

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