A0A093H7S1_STRCA Loading...

Transmembrane protein 177

Plays a role in the early steps of cytochrome c oxidase subunit II (MT-CO2/COX2) maturation and is required for the stabilization of COX20 and the newly synthesized MT-CO2/COX2 protein.

AlphaFold DB , UniProt , Accession A0A093H7S1, Species STRCA (Struthio camelus australis), Gene n/a, Length 311 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
1M59.9Low74.5Confident222 Ų222106.7 Ų106.7100%1.09458%0.584SS**  0-48.10-133.2176.1-7400113F5M1-F5 PolarHBondContact O-N 3.16Å
2G65.6Low75.7Confident49 Ų49109.6 Ų109.651%0.50558%0.58SS.*Hα-helixtrans-64-38.6-178.200000116.7H4 F5 L6G2-H4 PolarHBondContact O-N 2.9Å; G2-F5 PolarHBondContact O-N 2.99Å; G2-L6 WeakPolarHBondContact O-CG 3.39Å; G2-L6 PolarHBondContact O-N 3.01Å
3V72.1Confident76.3Confident105 Ų105106.6 Ų106.664%0.63657%0.569SS**Hα-helixtrans-64.2-40-179179.50000112.3L6 Q7V3-L6 PolarHBondContact O-N 2.67Å; V3-Q7 WeakPolarHBondContact O-CG 3.33Å; V3-Q7 PolarHBondContact O-N 3.33Å
4H72Confident76.6Confident111 Ų111109.7 Ų109.751%0.51458%0.575SS.*Hα-helixtrans-70.6-34.1179.4-164-98000112.1G2 K8G2-H4 PolarHBondContact O-N 2.9Å; H4-K8 WeakPolarHBondContact CE1-CE 3.47Å; H4-K8 WeakPolarHBondContact O-CG 3.39Å; H4-K8 PolarHBondContact O-N 3.39Å; H4-K8 VanDerWaalsContact O-N 3.09Å
5F80Confident77.3Confident151 Ų151113.5 Ų113.566%0.66258%0.584SS**Hα-helixtrans-64.7-46171.3178.6-97.9000111.5M1 G2 Q7 K8 A9M1-F5 PolarHBondContact O-N 3.16Å; G2-F5 PolarHBondContact O-N 2.99Å; F5-Q7 VanDerWaalsContact C-N 3.34Å; F5-Q7 PolarHBondContact O-N 3.13Å; F5-K8 PolarHBondContact O-N 3.25Å; F5-A9 WeakPolarHBondContact O-CB 3.49Å; F5-A9 PolarHBondContact O-N 3.26Å
6L76.9Confident78.1Confident119 Ų119110.1 Ų110.162%0.62357%0.565SS**Hα-helixtrans-61.9-38.7177.6-71.1169.7000112.8G2 V3 S10G2-L6 WeakPolarHBondContact O-CG 3.39Å; G2-L6 PolarHBondContact O-N 3.01Å; V3-L6 PolarHBondContact O-N 2.67Å; L6-S10 WeakPolarHBondContact O-CB 3.41Å; L6-S10 PolarHBondContact O-N 3.33Å
7Q74.9Confident78.7Confident122 Ų122109.4 Ų109.457%0.5756%0.557SS**Hα-helixtrans-66.8-45.3175.8-74.6174.4-15.500112.1V3 F5 S10 A11V3-Q7 WeakPolarHBondContact O-CG 3.33Å; V3-Q7 PolarHBondContact O-N 3.33Å; F5-Q7 VanDerWaalsContact C-N 3.34Å; F5-Q7 PolarHBondContact O-N 3.13Å; Q7-S10 PolarHBondContact O-N 3.04Å; Q7-A11 PolarHBondContact O-N 3.39Å
8K81.8Confident79.4Confident138 Ų138108.3 Ų108.360%0.656%0.556SS**Hα-helixtrans-60.4-44.6174.3-78.5-177170.7-178.40111.7H4 F5 A11 W12H4-K8 WeakPolarHBondContact CE1-CE 3.47Å; H4-K8 WeakPolarHBondContact O-CG 3.39Å; H4-K8 PolarHBondContact O-N 3.39Å; H4-K8 VanDerWaalsContact O-N 3.09Å; F5-K8 PolarHBondContact O-N 3.25Å; K8-A11 PolarHBondContact O-N 3.06Å; K8-W12 WeakPolarHBondContact O-CB 3.45Å; K8-W12 PolarHBondContact O-N 3.01Å
9A79.1Confident80.1Confident38 Ų38105.2 Ų105.231%0.31455%0.549SS..Hα-helixtrans-61.4-44.817600000111.7F5 A11 W12 V13F5-A9 WeakPolarHBondContact O-CB 3.49Å; F5-A9 PolarHBondContact O-N 3.26Å; A9-A11 PolarHBondContact O-N 3.14Å; A9-W12 PolarHBondContact O-N 3.27Å; A9-V13 VanDerWaalsContact O-CG2 3.32Å; A9-V13 WeakPolarHBondContact O-CG2 3.25Å; A9-V13 PolarHBondContact O-N 3.09Å
10S78.2Confident80.8Confident58 Ų58102.9 Ų102.941%0.40654%0.537SS..Hα-helixtrans-61.5-44.3177.5-172.30000112.7L6 Q7 W12 V13 K14L6-S10 WeakPolarHBondContact O-CB 3.41Å; L6-S10 PolarHBondContact O-N 3.33Å; Q7-S10 PolarHBondContact O-N 3.04Å; S10-W12 VanDerWaalsContact C-N 3.35Å; S10-V13 PolarHBondContact O-N 3.02Å; S10-K14 WeakPolarHBondContact O-CG 3.48Å; S10-K14 PolarHBondContact O-N 3.25Å
11A79.6Confident81.5Confident61 Ų6198.9 Ų98.950%0.50452%0.516SS..Hα-helixtrans-63.3-41.9176.500000111.7Q7 K8 A9 K14 K15Q7-A11 PolarHBondContact O-N 3.39Å; K8-A11 PolarHBondContact O-N 3.06Å; A9-A11 PolarHBondContact O-N 3.14Å; A11-K14 PolarHBondContact O-N 3.19Å; A11-K15 PolarHBondContact O-N 3.3Å; A11-K15 VanDerWaalsContact O-N 3.07Å
12W88.8Confident83.3Confident141 Ų14190.6 Ų90.653%0.53448%0.483SS..Hα-helixtrans-63.9-44.9177-17693.1000112.4K8 A9 S10 K14 K15 H16 L20K8-W12 WeakPolarHBondContact O-CB 3.45Å; K8-W12 PolarHBondContact O-N 3.01Å; A9-W12 PolarHBondContact O-N 3.27Å; S10-W12 VanDerWaalsContact C-N 3.35Å; W12-K14 PolarHBondContact O-N 3.01Å; W12-K15 PolarHBondContact O-N 3.36Å; W12-H16 AromaticContact CD1-CE1 3.6Å; W12-H16 AromaticContact CD1-ND1 3.59Å; W12-H16 AromaticContact CD2-ND1 3.77Å; W12-H16 AromaticContact CE2-ND1 3.55Å; W12-H16 AromaticContact CG-ND1 3.78Å; W12-H16 AromaticContact NE1-CE1 3.44Å; W12-H16 PolarHBondContact NE1-CE1 3.32Å; W12-H16 AromaticContact NE1-ND1 3.43Å; W12-H16 PolarHBondContact NE1-ND1 2.9Å; W12-H16 PolarHBondContact O-N 2.86Å; W12-H16 PolarHBondContact O-ND1 3.43Å; W12-L20 HydrophobicContact CE3-CD1 4.5Å; W12-L20 HydrophobicContact CH2-CD1 4.5Å; W12-L20 HydrophobicContact CH2-CD2 3.88Å; W12-L20 HydrophobicContact CH2-CG 4.37Å; W12-L20 HydrophobicContact CZ3-CD1 3.84Å; W12-L20 HydrophobicContact CZ3-CD2 3.84Å; W12-L20 HydrophobicContact CZ3-CG 4.18Å
13V83.6Confident84.8Confident71 Ų7192.7 Ų92.743%0.4349%0.485SS..Hα-helixtrans-61.6-43.6176.6169.20000111A9 S10 K15 H16 K17 L20A9-V13 VanDerWaalsContact O-CG2 3.32Å; A9-V13 WeakPolarHBondContact O-CG2 3.25Å; A9-V13 PolarHBondContact O-N 3.09Å; S10-V13 PolarHBondContact O-N 3.02Å; V13-K15 VanDerWaalsContact C-N 3.29Å; V13-K15 PolarHBondContact O-N 2.86Å; V13-H16 PolarHBondContact O-N 3.42Å; V13-K17 WeakPolarHBondContact O-CA 3.43Å; V13-K17 WeakPolarHBondContact O-CB 3.37Å; V13-K17 PolarHBondContact O-N 3.3Å; V13-L20 HydrophobicContact CB-CD1 4.3Å; V13-L20 HydrophobicContact CG1-CD1 4.04Å; V13-L20 HydrophobicContact CG2-CD1 4.17Å
14K80.4Confident85.9Confident150 Ų15090.4 Ų90.465%0.65247%0.474SS*.Hα-helixtrans-60.8-39.7177.1-75.8176-176.5176.10112S10 A11 W12S10-K14 WeakPolarHBondContact O-CG 3.48Å; S10-K14 PolarHBondContact O-N 3.25Å; A11-K14 PolarHBondContact O-N 3.19Å; W12-K14 PolarHBondContact O-N 3.01Å
15K87.4Confident87.2Confident166 Ų16686.1 Ų86.172%0.72246%0.457SS*.Hα-helixtrans-68.8-37.9178.6-175.4175.7175.1-178.70112.5A11 W12 V13A11-K15 PolarHBondContact O-N 3.3Å; A11-K15 VanDerWaalsContact O-N 3.07Å; W12-K15 PolarHBondContact O-N 3.36Å; V13-K15 VanDerWaalsContact C-N 3.29Å; V13-K15 PolarHBondContact O-N 2.86Å
16H89.9Confident88Confident59 Ų5985 Ų8527%0.27346%0.455SS..Hα-helixtrans-110.318.4-172.4-55.394.4000114.5W12 V13 T18 A19 L20W12-H16 AromaticContact CD1-CE1 3.6Å; W12-H16 AromaticContact CD1-ND1 3.59Å; W12-H16 AromaticContact CD2-ND1 3.77Å; W12-H16 AromaticContact CE2-ND1 3.55Å; W12-H16 AromaticContact CG-ND1 3.78Å; W12-H16 AromaticContact NE1-CE1 3.44Å; W12-H16 PolarHBondContact NE1-CE1 3.32Å; W12-H16 AromaticContact NE1-ND1 3.43Å; W12-H16 PolarHBondContact NE1-ND1 2.9Å; W12-H16 PolarHBondContact O-N 2.86Å; W12-H16 PolarHBondContact O-ND1 3.43Å; V13-H16 PolarHBondContact O-N 3.42Å; H16-T18 VanDerWaalsContact C-N 3.29Å; H16-T18 PolarHBondContact O-N 3.24Å; H16-T18 VanDerWaalsContact O-N 3.16Å; H16-A19 PolarHBondContact O-N 3.04Å; H16-A19 VanDerWaalsContact O-N 3.1Å; H16-L20 WeakPolarHBondContact O-CG 3.38Å; H16-L20 PolarHBondContact O-N 2.78Å
17K88.4Confident89Confident99 Ų9981.4 Ų81.443%0.4345%0.447SS..Hα-helixtrans-52.5-38.5-174.561.1-177.3-174.51760115V13 L21 Y185V13-K17 WeakPolarHBondContact O-CA 3.43Å; V13-K17 WeakPolarHBondContact O-CB 3.37Å; V13-K17 PolarHBondContact O-N 3.3Å; K17-L21 PolarHBondContact O-N 2.92Å; K17-Y185 VanDerWaalsContact CD-OH 3.27Å; K17-Y185 WeakPolarHBondContact CD-OH 3.23Å; K17-Y185 VanDerWaalsContact CG-OH 3.31Å; K17-Y185 WeakPolarHBondContact CG-OH 3.49Å
18T90.6Very high90Very high89 Ų8978.9 Ų78.955%0.54644%0.437SS..Hα-helixtrans-73.2-41.6179.246.90000111.7H16 L20 L21 A22H16-T18 VanDerWaalsContact C-N 3.29Å; H16-T18 PolarHBondContact O-N 3.24Å; H16-T18 VanDerWaalsContact O-N 3.16Å; T18-L20 VanDerWaalsContact C-N 3.35Å; T18-L21 PolarHBondContact O-N 3.38Å; T18-A22 WeakPolarHBondContact O-CB 3.38Å; T18-A22 PolarHBondContact O-N 3.38Å
19A93.8Very high90.7Very high50 Ų5075.6 Ų75.641%0.41342%0.423SS..Hα-helixtrans-63.1-42.3174.100000111.2H16 L21 A22 V23H16-A19 PolarHBondContact O-N 3.04Å; H16-A19 VanDerWaalsContact O-N 3.1Å; A19-L21 PolarHBondContact O-N 3.36Å; A19-A22 PolarHBondContact O-N 3.18Å; A19-V23 WeakPolarHBondContact O-CG2 3.38Å; A19-V23 PolarHBondContact O-N 2.99Å
20L94.3Very high91.5Very high58 Ų5875.6 Ų75.630%0.30443%0.426SS..Hα-helixtrans-61.1-42.8175.6-75.3171.1000112.5W12 V13 H16 T18 S24W12-L20 HydrophobicContact CE3-CD1 4.5Å; W12-L20 HydrophobicContact CH2-CD1 4.5Å; W12-L20 HydrophobicContact CH2-CD2 3.88Å; W12-L20 HydrophobicContact CH2-CG 4.37Å; W12-L20 HydrophobicContact CZ3-CD1 3.84Å; W12-L20 HydrophobicContact CZ3-CD2 3.84Å; W12-L20 HydrophobicContact CZ3-CG 4.18Å; V13-L20 HydrophobicContact CB-CD1 4.3Å; V13-L20 HydrophobicContact CG1-CD1 4.04Å; V13-L20 HydrophobicContact CG2-CD1 4.17Å; H16-L20 WeakPolarHBondContact O-CG 3.38Å; H16-L20 PolarHBondContact O-N 2.78Å; T18-L20 VanDerWaalsContact C-N 3.35Å; L20-S24 VanDerWaalsContact O-CB 3.28Å; L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.04Å; L20-S24 PolarHBondContact O-OG 3.07Å
21L95.1Very high92.3Very high20 Ų2075.8 Ų75.811%0.10543%0.431CS..Hα-helixtrans-61.2-49.6173.8178.868.8000111K17 T18 A19 V23 S24 C25 L181 Y185 F186K17-L21 PolarHBondContact O-N 2.92Å; T18-L21 PolarHBondContact O-N 3.38Å; A19-L21 PolarHBondContact O-N 3.36Å; L21-V23 PolarHBondContact O-N 3.03Å; L21-S24 PolarHBondContact O-N 2.62Å; L21-S24 VanDerWaalsContact O-N 3.16Å; L21-C25 PolarHBondContact O-N 3.27Å; L21-C25 PolarHBondContact O-SG 3.34Å; L21-C25 VanDerWaalsContact O-SG 3.42Å; L21-L181 HydrophobicContact CD1-CD2 4.21Å; L21-L181 HydrophobicContact CD1-CG 3.87Å; L21-Y185 HydrophobicContact CD1-CG 4.2Å; L21-Y185 HydrophobicContact CD2-CD1 3.4Å; L21-Y185 HydrophobicContact CD2-CD2 4.46Å; L21-Y185 HydrophobicContact CD2-CE1 3.88Å; L21-Y185 HydrophobicContact CD2-CG 3.71Å; L21-Y185 HydrophobicContact CG-CG 4.47Å; L21-F186 HydrophobicContact CD2-CE2 4.11Å; L21-F186 HydrophobicContact CD2-CZ 4.2Å
22A96.3Very high93Very high48 Ų4875.5 Ų75.540%0.39742%0.421SS..Hα-helixtrans-58.6-47.2-179.500000111.6T18 A19 S24 C25 M26T18-A22 WeakPolarHBondContact O-CB 3.38Å; T18-A22 PolarHBondContact O-N 3.38Å; A19-A22 PolarHBondContact O-N 3.18Å; A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 3.29Å; A22-C25 PolarHBondContact O-N 3.12Å; A22-M26 WeakPolarHBondContact O-CB 3.47Å; A22-M26 WeakPolarHBondContact O-CG 3.48Å; A22-M26 PolarHBondContact O-N 2.91Å
23V97Very high93.3Very high92 Ų9269.5 Ų69.556%0.55840%0.4SS*.Hα-helixtrans-61.3-41176.2170.90000111.3A19 L21 M26 G27A19-V23 WeakPolarHBondContact O-CG2 3.38Å; A19-V23 PolarHBondContact O-N 2.99Å; L21-V23 PolarHBondContact O-N 3.03Å; V23-M26 HydrophobicContact CG2-CE 4.27Å; V23-M26 PolarHBondContact O-N 3.09Å; V23-G27 PolarHBondContact O-N 3.33Å
24S96.8Very high93.7Very high58 Ų5868.7 Ų68.741%0.40640%0.397SS..Hα-helixtrans-66.9-42.2178.3-61.20000112L20 L21 A22 G27 L28L20-S24 VanDerWaalsContact O-CB 3.28Å; L20-S24 WeakPolarHBondContact O-CB 3.45Å; L20-S24 PolarHBondContact O-N 3.04Å; L20-S24 PolarHBondContact O-OG 3.07Å; L21-S24 PolarHBondContact O-N 2.62Å; L21-S24 VanDerWaalsContact O-N 3.16Å; A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 3.29Å; S24-G27 PolarHBondContact O-N 3.05Å; S24-L28 WeakPolarHBondContact O-CB 3.28Å; S24-L28 WeakPolarHBondContact O-CG 3.36Å; S24-L28 PolarHBondContact O-N 3.41Å
25C97.8Very high94.3Very high21 Ų2164.7 Ų64.714%0.14238%0.381CS..Hα-helixtrans-62.9-47174.3-72.30000111.5L21 A22 G27 L28 F29 P178L21-C25 PolarHBondContact O-N 3.27Å; L21-C25 PolarHBondContact O-SG 3.34Å; L21-C25 VanDerWaalsContact O-SG 3.42Å; A22-C25 PolarHBondContact O-N 3.12Å; C25-G27 VanDerWaalsContact C-N 3.33Å; C25-G27 PolarHBondContact O-N 3.23Å; C25-L28 PolarHBondContact O-N 3.33Å; C25-F29 VanDerWaalsContact O-CB 3.3Å; C25-F29 WeakPolarHBondContact O-CB 3.4Å; C25-F29 PolarHBondContact O-N 2.92Å; C25-P178 HydrophobicContact CB-CB 3.74Å
26M97.3Very high94.7Very high126 Ų12657.5 Ų57.562%0.62135%0.35SS*.Hα-helixtrans-61.7-41.2176.2-71.5-172.3-62.200111.7A22 V23 F29 G30A22-M26 WeakPolarHBondContact O-CB 3.47Å; A22-M26 WeakPolarHBondContact O-CG 3.48Å; A22-M26 PolarHBondContact O-N 2.91Å; V23-M26 HydrophobicContact CG2-CE 4.27Å; V23-M26 PolarHBondContact O-N 3.09Å; M26-F29 PolarHBondContact O-N 2.86Å; M26-G30 PolarHBondContact O-N 3.04Å
27G97.6Very high94.9Very high44 Ų4456.8 Ų56.845%0.45435%0.349SS..Hα-helixtrans-63.1-47.1176.800000112.8V23 S24 C25 G30 A31V23-G27 PolarHBondContact O-N 3.33Å; S24-G27 PolarHBondContact O-N 3.05Å; C25-G27 VanDerWaalsContact C-N 3.33Å; C25-G27 PolarHBondContact O-N 3.23Å; G27-G30 PolarHBondContact O-N 3.39Å; G27-A31 VanDerWaalsContact O-CB 3.23Å; G27-A31 WeakPolarHBondContact O-CB 3.29Å; G27-A31 PolarHBondContact O-N 3.4Å
28L96.7Very high95.2Very high70 Ų7057.5 Ų57.537%0.36635%0.353SS..Hα-helixtrans-62.2-43.5176.2-74.8174000111.9S24 C25 N32 A177 L181S24-L28 WeakPolarHBondContact O-CB 3.28Å; S24-L28 WeakPolarHBondContact O-CG 3.36Å; S24-L28 PolarHBondContact O-N 3.41Å; C25-L28 PolarHBondContact O-N 3.33Å; L28-N32 WeakPolarHBondContact O-CB 3.43Å; L28-N32 PolarHBondContact O-N 2.9Å; L28-N32 PolarHBondContact O-ND2 3.41Å; L28-A177 HydrophobicContact CB-CB 4.33Å; L28-A177 HydrophobicContact CD1-CB 4.37Å; L28-L181 HydrophobicContact CD1-CB 4.33Å; L28-L181 HydrophobicContact CD1-CD2 3.67Å
29F97.1Very high95.4Very high68 Ų6853.3 Ų53.330%0.29833%0.327SS..Hα-helixtrans-61.9-50.9177.4-174.6-106.2000111.5C25 M26 A31 N32 L33 L171 A174 A175 P178C25-F29 VanDerWaalsContact O-CB 3.3Å; C25-F29 WeakPolarHBondContact O-CB 3.4Å; C25-F29 PolarHBondContact O-N 2.92Å; M26-F29 PolarHBondContact O-N 2.86Å; F29-A31 PolarHBondContact O-N 3.18Å; F29-N32 PolarHBondContact O-N 3.44Å; F29-L33 HydrophobicContact CE1-CD2 4.01Å; F29-L33 HydrophobicContact CZ-CD2 4.17Å; F29-L33 WeakPolarHBondContact O-CB 3.35Å; F29-L33 PolarHBondContact O-N 3.02Å; F29-L171 HydrophobicContact CE2-CD1 4.06Å; F29-L171 HydrophobicContact CZ-CD1 3.49Å; F29-L171 VanDerWaalsContact CZ-CD1 3.49Å; F29-A174 HydrophobicContact CD2-CB 4.17Å; F29-A174 HydrophobicContact CE2-CB 4.11Å; F29-A175 HydrophobicContact CE2-CB 4.29Å; F29-P178 HydrophobicContact CB-CG 4.1Å; F29-P178 HydrophobicContact CD2-CG 4.16Å
30G96.3Very high95.4Very high38 Ų3854 Ų5439%0.39232%0.322SS..Hα-helixtrans-62-41.3178.400000112.8M26 G27 L33 S34M26-G30 PolarHBondContact O-N 3.04Å; G27-G30 PolarHBondContact O-N 3.39Å; G30-L33 PolarHBondContact O-N 3.07Å; G30-S34 WeakPolarHBondContact O-CA 3.48Å; G30-S34 WeakPolarHBondContact O-CB 3.36Å; G30-S34 PolarHBondContact O-N 3.41Å
31A94.7Very high95.3Very high62 Ų6257.1 Ų57.151%0.51234%0.335SS..Hα-helixtrans-61.3-47.1176.500000111.7G27 F29 L33 S34G27-A31 VanDerWaalsContact O-CB 3.23Å; G27-A31 WeakPolarHBondContact O-CB 3.29Å; G27-A31 PolarHBondContact O-N 3.4Å; F29-A31 PolarHBondContact O-N 3.18Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.31Å; A31-S34 WeakPolarHBondContact O-CB 3.46Å; A31-S34 PolarHBondContact O-N 3.46Å; A31-S34 PolarHBondContact O-OG 3.35Å
32N93Very high95.2Very high55 Ų5558.5 Ų58.529%0.29434%0.344SS..Hα-helixtrans-67.6-32.1178.9-73.4-24.3000112.8L28 F29 H35 A174L28-N32 WeakPolarHBondContact O-CB 3.43Å; L28-N32 PolarHBondContact O-N 2.9Å; L28-N32 PolarHBondContact O-ND2 3.41Å; F29-N32 PolarHBondContact O-N 3.44Å; N32-H35 PolarHBondContact O-CE1 3.09Å; N32-H35 PolarHBondContact O-ND1 3.06Å; N32-A174 HydrophobicContact CB-CB 3.87Å
33L95.1Very high95Very high16 Ų1657.1 Ų57.18%0.08433%0.329CS..Hα-helixtrans-88.1-13.5-179.4-157.668.4000113.3F29 G30 A31 H35 H36 V37 M96 L171 A174F29-L33 HydrophobicContact CE1-CD2 4.01Å; F29-L33 HydrophobicContact CZ-CD2 4.17Å; F29-L33 WeakPolarHBondContact O-CB 3.35Å; F29-L33 PolarHBondContact O-N 3.02Å; G30-L33 PolarHBondContact O-N 3.07Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.31Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.41Å; L33-H35 VanDerWaalsContact O-N 3.17Å; L33-H36 HydrophobicContact CD1-CB 4.13Å; L33-H36 HydrophobicContact CG-CB 4.45Å; L33-H36 CarbonylContact O-C 3.53Å; L33-H36 WeakPolarHBondContact O-CA 3.31Å; L33-H36 WeakPolarHBondContact O-CB 3.24Å; L33-H36 PolarHBondContact O-N 2.88Å; L33-V37 HydrophobicContact CB-CG2 4.5Å; L33-V37 HydrophobicContact CD2-CG2 4.06Å; L33-V37 HydrophobicContact CG-CG2 3.98Å; L33-V37 PolarHBondContact O-N 3.4Å; L33-M96 HydrophobicContact CD1-CE 3.85Å; L33-M96 HydrophobicContact CD1-SD 4.17Å; L33-M96 HydrophobicContact CD2-CE 3.77Å; L33-M96 HydrophobicContact CD2-SD 4.29Å; L33-M96 HydrophobicContact CG-CE 3.69Å; L33-M96 HydrophobicContact CG-SD 4.49Å; L33-L171 HydrophobicContact CD2-CD1 4.38Å; L33-A174 HydrophobicContact CB-CB 4.25Å; L33-A174 HydrophobicContact CD1-CB 3.98Å
34S93Very high94.7Very high54 Ų5455.5 Ų55.538%0.37832%0.315SS..Hα-helixtrans-48.4-48.9-171.457.90000113.8G30 A31 H36 V37 F38G30-S34 WeakPolarHBondContact O-CA 3.48Å; G30-S34 WeakPolarHBondContact O-CB 3.36Å; G30-S34 PolarHBondContact O-N 3.41Å; A31-S34 WeakPolarHBondContact O-CB 3.46Å; A31-S34 PolarHBondContact O-N 3.46Å; A31-S34 PolarHBondContact O-OG 3.35Å; S34-H36 PolarHBondContact O-N 2.93Å; S34-V37 PolarHBondContact O-N 3.28Å; S34-F38 PolarHBondContact O-N 3.41Å
35H91.9Very high94.3Very high66 Ų6658 Ų5831%0.30632%0.323SS..Hα-helixtrans-73.2-13.818068-76.1000114.6N32 L33 P39 T42N32-H35 PolarHBondContact O-CE1 3.09Å; N32-H35 PolarHBondContact O-ND1 3.06Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 3.41Å; L33-H35 VanDerWaalsContact O-N 3.17Å; H35-P39 VanDerWaalsContact O-CA 3.27Å; H35-P39 WeakPolarHBondContact O-CA 3.46Å; H35-T42 VanDerWaalsContact CA-OG1 3.25Å; H35-T42 WeakPolarHBondContact CA-OG1 3.5Å
36H95.6Very high93.9Very high14 Ų1463.6 Ų63.67%0.06535%0.35CS..Hα-helixtrans-93.1-20.4171-64.3-79.5000113L33 S34 G95 M96 P170L33-H36 HydrophobicContact CD1-CB 4.13Å; L33-H36 HydrophobicContact CG-CB 4.45Å; L33-H36 CarbonylContact O-C 3.53Å; L33-H36 WeakPolarHBondContact O-CA 3.31Å; L33-H36 WeakPolarHBondContact O-CB 3.24Å; L33-H36 PolarHBondContact O-N 2.88Å; S34-H36 PolarHBondContact O-N 2.93Å; H36-G95 PolarHBondContact ND1-N 3.37Å; H36-G95 CarbonylContact O-C 3.53Å; H36-G95 WeakPolarHBondContact O-CA 3.11Å; H36-M96 HydrophobicContact CB-CE 3.96Å; H36-M96 WeakPolarHBondContact O-CE 3.22Å; H36-P170 HydrophobicContact CB-CB 4.26Å; H36-P170 WeakPolarHBondContact ND1-CB 3.22Å
37V95.4Very high93.5Very high44 Ų4460.5 Ų60.527%0.26733%0.334SS..Hα-helixtrans-78.8-38.3174-179.70000110.6L33 S34 P39 M96 A101L33-V37 HydrophobicContact CB-CG2 4.5Å; L33-V37 HydrophobicContact CD2-CG2 4.06Å; L33-V37 HydrophobicContact CG-CG2 3.98Å; L33-V37 PolarHBondContact O-N 3.4Å; S34-V37 PolarHBondContact O-N 3.28Å; V37-P39 WeakPolarHBondContact O-CD 3.34Å; V37-M96 HydrophobicContact CG2-CE 3.77Å; V37-A101 WeakPolarHBondContact O-CB 3.49Å
38F94.6Very high93.1Very high115 Ų11559.6 Ų59.650%0.50432%0.318SS..SBendtrans-124.160.3-178.5-54.7-72.6000111.5S34 E40 Q41 T42S34-F38 PolarHBondContact O-N 3.41Å; F38-E40 VanDerWaalsContact C-N 3.3Å; F38-E40 PolarHBondContact O-N 3.19Å; F38-Q41 PolarHBondContact O-N 3.36Å; F38-T42 HydrophobicContact CB-CG2 4.46Å; F38-T42 PolarHBondContact O-N 3.38Å; F38-T42 PolarHBondContact O-OG1 3.3Å
39P95.3Very high92.6Very high0 Ų057 Ų570%031%0.306CS..THydrogen-bonded Turntrans-63-32-169.725.1-34.8000113.7H35 V37 F43 K44 A94 V104H35-P39 VanDerWaalsContact O-CA 3.27Å; H35-P39 WeakPolarHBondContact O-CA 3.46Å; V37-P39 WeakPolarHBondContact O-CD 3.34Å; P39-F43 WeakPolarHBondContact O-CB 3.28Å; P39-F43 PolarHBondContact O-N 3.11Å; P39-F43 VanDerWaalsContact O-N 3.08Å; P39-K44 PolarHBondContact O-N 2.75Å; P39-A94 HydrophobicContact CB-CB 4.16Å; P39-V104 HydrophobicContact CB-CG1 4.21Å; P39-V104 HydrophobicContact CB-CG2 3.72Å; P39-V104 HydrophobicContact CG-CG1 4.36Å
40E92.9Very high92Very high65 Ų6560.1 Ų60.130%0.30432%0.316SS..Iπ-helixtrans-70-42.7178-68.6-165.8161.700112.6F38 T42 R82 V104F38-E40 VanDerWaalsContact C-N 3.3Å; F38-E40 PolarHBondContact O-N 3.19Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 3.13Å; E40-R82 WeakPolarHBondContact OE1-CD 3.38Å; E40-R82 IonicContact OE1-CZ 3.65Å; E40-R82 IonicContact OE1-NE 3.89Å; E40-R82 IonicContact OE1-NH1 2.68Å; E40-R82 PolarHBondContact OE1-NH1 3.08Å; E40-R82 IonicContact OE2-NH1 3.58Å; E40-V104 HydrophobicContact CG-CG1 3.94Å
41Q92.3Very high91.1Very high123 Ų12361.4 Ų61.458%0.57532%0.319SS*.Iπ-helixtrans-81.1-14-175.2-61.87812.300113.3F38F38-Q41 PolarHBondContact O-N 3.36Å
42T91.9Very high90.4Very high49 Ų4966.1 Ų66.130%0.30134%0.335SS..Iπ-helixtrans-122.5-66.5-174580000111.5H35 F38 E40 L46H35-T42 VanDerWaalsContact CA-OG1 3.25Å; H35-T42 WeakPolarHBondContact CA-OG1 3.5Å; F38-T42 HydrophobicContact CB-CG2 4.46Å; F38-T42 PolarHBondContact O-N 3.38Å; F38-T42 PolarHBondContact O-OG1 3.3Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 3.13Å; T42-L46 WeakPolarHBondContact O-CG 3.32Å; T42-L46 PolarHBondContact O-N 2.82Å
43F92.2Very high89.7Confident20 Ų2066.1 Ų66.19%0.08835%0.348CS..Iπ-helixtrans-70.8-48.4-173-178.8-94.1000112.3P39 L45 L46 H47 F84 V92 S93 A94 V104P39-F43 WeakPolarHBondContact O-CB 3.28Å; P39-F43 PolarHBondContact O-N 3.11Å; P39-F43 VanDerWaalsContact O-N 3.08Å; F43-L45 PolarHBondContact O-N 2.92Å; F43-L46 PolarHBondContact O-N 2.84Å; F43-H47 AromaticContact CD2-CD2 3.73Å; F43-H47 AromaticContact CE1-CD2 3.96Å; F43-H47 AromaticContact CE2-CD2 3.49Å; F43-H47 VanDerWaalsContact CE2-CD2 3.49Å; F43-H47 WeakPolarHBondContact CE2-CD2 3.32Å; F43-H47 AromaticContact CE2-NE2 3.6Å; F43-H47 AromaticContact CZ-CD2 3.63Å; F43-H47 AromaticContact CZ-NE2 4Å; F43-H47 PolarHBondContact O-CD2 3.36Å; F43-H47 PolarHBondContact O-N 2.86Å; F43-F84 HydrophobicContact CD1-CZ 4.35Å; F43-F84 HydrophobicContact CE1-CE1 4.45Å; F43-F84 HydrophobicContact CE1-CZ 4.18Å; F43-V92 HydrophobicContact CE1-CB 4.44Å; F43-V92 HydrophobicContact CE1-CG2 3.94Å; F43-V92 HydrophobicContact CZ-CB 3.85Å; F43-V92 HydrophobicContact CZ-CG2 3.78Å; F43-S93 WeakPolarHBondContact CZ-O 3.38Å; F43-A94 HydrophobicContact CB-CB 3.71Å; F43-A94 HydrophobicContact CD1-CB 3.53Å; F43-A94 HydrophobicContact CD2-CB 3.59Å; F43-A94 HydrophobicContact CE1-CB 3.93Å; F43-A94 HydrophobicContact CE2-CB 3.98Å; F43-A94 HydrophobicContact CG-CB 3.31Å; F43-A94 HydrophobicContact CZ-CB 4.12Å; F43-V104 HydrophobicContact CD1-CG2 3.83Å; F43-V104 HydrophobicContact CE1-CG2 4.38Å
44K91.8Very high89.2Confident58 Ų5871.7 Ų71.725%0.25237%0.374SS..Iπ-helixtrans-59.7-47.3179.6-179.6178.9168.5-1750110.7P39 L46 H47 E48 F84P39-K44 PolarHBondContact O-N 2.75Å; K44-L46 PolarHBondContact O-N 2.87Å; K44-L46 VanDerWaalsContact O-N 3.1Å; K44-H47 CarbonylContact O-C 3.51Å; K44-H47 PolarHBondContact O-N 3.48Å; K44-E48 WeakPolarHBondContact CE-OE1 3.43Å; K44-E48 HydrophobicContact CG-CB 4.5Å; K44-E48 IonicContact NZ-OE1 3.1Å; K44-E48 PolarHBondContact NZ-OE1 3.39Å; K44-E48 VanDerWaalsContact O-CB 3.22Å; K44-E48 WeakPolarHBondContact O-CB 3.34Å; K44-E48 PolarHBondContact O-N 2.86Å; K44-F84 HydrophobicContact CB-CE1 4.44Å; K44-F84 HydrophobicContact CB-CZ 4.39Å; K44-F84 HydrophobicContact CD-CB 4.32Å; K44-F84 HydrophobicContact CD-CD1 4.41Å; K44-F84 HydrophobicContact CD-CG 4.18Å; K44-F84 HydrophobicContact CG-CD1 4.19Å; K44-F84 HydrophobicContact CG-CD2 3.88Å; K44-F84 HydrophobicContact CG-CE1 4.34Å; K44-F84 HydrophobicContact CG-CE2 4.06Å; K44-F84 HydrophobicContact CG-CG 3.95Å; K44-F84 HydrophobicContact CG-CZ 4.28Å
45L88.5Confident88.9Confident110 Ų11071.4 Ų71.458%0.57637%0.371SS*.Hα-helixtrans-52.9-35.6177.5-173.272000113.5F43F43-L45 PolarHBondContact O-N 2.92Å
46L88.4Confident88.6Confident138 Ų13869.4 Ų69.472%0.72337%0.366SS*.Hα-helixtrans-81.1-25.6-179.7-68.2172.1000113.7T42 F43 K44T42-L46 WeakPolarHBondContact O-CG 3.32Å; T42-L46 PolarHBondContact O-N 2.82Å; F43-L46 PolarHBondContact O-N 2.84Å; K44-L46 PolarHBondContact O-N 2.87Å; K44-L46 VanDerWaalsContact O-N 3.1Å
47H89.1Confident88.3Confident62 Ų6277.5 Ų77.529%0.28740%0.404SS..Hα-helixtrans-109.9-12.7-172.5-76.7-71.1000113.7F43 K44 C49 F84 A86 S87 V92F43-H47 AromaticContact CD2-CD2 3.73Å; F43-H47 AromaticContact CE1-CD2 3.96Å; F43-H47 AromaticContact CE2-CD2 3.49Å; F43-H47 VanDerWaalsContact CE2-CD2 3.49Å; F43-H47 WeakPolarHBondContact CE2-CD2 3.32Å; F43-H47 AromaticContact CE2-NE2 3.6Å; F43-H47 AromaticContact CZ-CD2 3.63Å; F43-H47 AromaticContact CZ-NE2 4Å; F43-H47 PolarHBondContact O-CD2 3.36Å; F43-H47 PolarHBondContact O-N 2.86Å; K44-H47 CarbonylContact O-C 3.51Å; K44-H47 PolarHBondContact O-N 3.48Å; H47-C49 PolarHBondContact O-N 3.47Å; H47-F84 HydrophobicContact CB-CE2 4.02Å; H47-F84 HydrophobicContact CB-CZ 4.02Å; H47-A86 CarbonylContact O-C 3.57Å; H47-A86 WeakPolarHBondContact O-CA 3.46Å; H47-S87 PolarHBondContact O-N 3.21Å; H47-S87 PolarHBondContact O-OG 2.5Å; H47-V92 HydrophobicContact CB-CG2 4.27Å
48E89.9Confident88Confident25 Ų2576.7 Ų76.712%0.11740%0.397CS..BIsolated β-bridgetrans-60.4135.8-177.1-172.5158.8-121.800111.1K44 W50 P55 F84 A85K44-E48 WeakPolarHBondContact CE-OE1 3.43Å; K44-E48 HydrophobicContact CG-CB 4.5Å; K44-E48 IonicContact NZ-OE1 3.1Å; K44-E48 PolarHBondContact NZ-OE1 3.39Å; K44-E48 VanDerWaalsContact O-CB 3.22Å; K44-E48 WeakPolarHBondContact O-CB 3.34Å; K44-E48 PolarHBondContact O-N 2.86Å; E48-W50 VanDerWaalsContact O-CD1 3.25Å; E48-P55 HydrophobicContact CG-CB 4.09Å; E48-P55 WeakPolarHBondContact OE1-CB 3.41Å; E48-F84 HydrophobicContact CB-CD2 4.42Å; E48-A85 WeakPolarHBondContact CA-O 3.28Å
49C86.3Confident87.9Confident15 Ų1572.8 Ų72.810%0.10139%0.385CS..  trans-81141.9170.7-172.10000108.8H47 A56 A85 P109H47-C49 PolarHBondContact O-N 3.47Å; C49-A56 HydrophobicContact CB-CB 4.01Å; C49-A56 WeakPolarHBondContact O-CB 3.43Å; C49-A56 PolarHBondContact O-N 2.7Å; C49-A85 HydrophobicContact CB-CB 4.08Å; C49-A85 PolarHBondContact N-O 3.38Å; C49-P109 HydrophobicContact CB-CG 4.41Å
50W84.3Confident87.8Confident133 Ų13381.6 Ų81.650%0.50443%0.426SS..EExtended strand (participates in β ladder)trans-123.7135.3180-68.371.4000109.3E48 G53 Q54 P55E48-W50 VanDerWaalsContact O-CD1 3.25Å; W50-G53 WeakPolarHBondContact CZ3-O 3.34Å; W50-Q54 CarbonylContact C-O 3.59Å; W50-Q54 VanDerWaalsContact CA-O 3.27Å; W50-Q54 WeakPolarHBondContact CA-O 3.13Å; W50-Q54 VanDerWaalsContact CE3-C 3.42Å; W50-P55 HydrophobicContact CE3-CG 4.45Å; W50-P55 HydrophobicContact CH2-CG 3.96Å; W50-P55 HydrophobicContact CZ2-CG 4.16Å; W50-P55 HydrophobicContact CZ3-CG 4.11Å
51S77.2Confident87.8Confident65 Ų6582.7 Ų82.746%0.45543%0.427SS..EExtended strand (participates in β ladder)trans-127132.2169.9-166.20000108.1G53 Q54S51-G53 PolarHBondContact O-N 3.43Å; S51-G53 VanDerWaalsContact O-N 3.08Å; S51-Q54 PolarHBondContact N-O 2.88Å; S51-Q54 PolarHBondContact O-N 3.44Å
52D79.2Confident87.9Confident161 Ų16176.8 Ų76.886%0.86140%0.4SS*.THydrogen-bonded Turntrans53.834.6174.9-51.7-58.5000114.5Q54D52-Q54 VanDerWaalsContact C-N 3.27Å; D52-Q54 PolarHBondContact O-N 2.87Å
53G79.1Confident88.1Confident55 Ų5577.3 Ų77.357%0.56741%0.405SS*.THydrogen-bonded Turntrans76.49.2179.100000114.9W50 S51W50-G53 WeakPolarHBondContact CZ3-O 3.34Å; S51-G53 PolarHBondContact O-N 3.43Å; S51-G53 VanDerWaalsContact O-N 3.08Å
54Q84.8Confident88.3Confident133 Ų13377.9 Ų77.962%0.62142%0.416SS*.EExtended strand (participates in β ladder)trans-121.3154.5173.1-64-60-38.800111.4W50 S51 D52 A56W50-Q54 CarbonylContact C-O 3.59Å; W50-Q54 VanDerWaalsContact CA-O 3.27Å; W50-Q54 WeakPolarHBondContact CA-O 3.13Å; W50-Q54 VanDerWaalsContact CE3-C 3.42Å; S51-Q54 PolarHBondContact N-O 2.88Å; S51-Q54 PolarHBondContact O-N 3.44Å; D52-Q54 VanDerWaalsContact C-N 3.27Å; D52-Q54 PolarHBondContact O-N 2.87Å; Q54-A56 PolarHBondContact O-N 2.63Å
55P85.9Confident88.5Confident49 Ų4976 Ų7632%0.31841%0.409SS..EExtended strand (participates in β ladder)trans-54.2128.6168.5-28.738.6000111.5E48 W50E48-P55 HydrophobicContact CG-CB 4.09Å; E48-P55 WeakPolarHBondContact OE1-CB 3.41Å; W50-P55 HydrophobicContact CE3-CG 4.45Å; W50-P55 HydrophobicContact CH2-CG 3.96Å; W50-P55 HydrophobicContact CZ2-CG 4.16Å; W50-P55 HydrophobicContact CZ3-CG 4.11Å
56A86.9Confident89Confident24 Ų2471.5 Ų71.520%0.19839%0.385CS..PPolyproline II helixtrans-69.4135174.700000109.9C49 Q54 A85C49-A56 HydrophobicContact CB-CB 4.01Å; C49-A56 WeakPolarHBondContact O-CB 3.43Å; C49-A56 PolarHBondContact O-N 2.7Å; Q54-A56 PolarHBondContact O-N 2.63Å; A56-A85 HydrophobicContact CB-CB 4.02Å; A56-A85 VanDerWaalsContact O-CB 3.25Å; A56-A85 WeakPolarHBondContact O-CB 3.4Å
57E88.8Confident89.4Confident184 Ų18470.1 Ų70.186%0.8638%0.375SS*.PPolyproline II helixtrans-84.2149.2174-64.2-170.2167.100110.8
58L89.7Confident89.9Confident26 Ų2670.2 Ų70.214%0.13638%0.378CS..PPolyproline II helixtrans-74140.7168.9-75.1172.7000109.8L62 A83 A85 I107L58-L62 HydrophobicContact CD2-CB 4.35Å; L58-L62 HydrophobicContact CD2-CD1 3.98Å; L58-A83 HydrophobicContact CD1-CB 3.38Å; L58-A85 HydrophobicContact CD2-CB 4.01Å; L58-A85 HydrophobicContact CG-CB 4.27Å; L58-I107 HydrophobicContact CD1-CD1 4.34Å; L58-I107 HydrophobicContact CD2-CB 3.93Å; L58-I107 HydrophobicContact CD2-CG2 4.49Å
59S91Very high90.3Very high34 Ų3469 Ų6924%0.23837%0.372CS..PPolyproline II helixtrans-60.5155.3172.381.50000111.5R61 L62 C63 D112S59-R61 PolarHBondContact O-N 3.1Å; S59-R61 PolarHBondContact OG-N 3.32Å; S59-L62 PolarHBondContact O-N 3.21Å; S59-L62 PolarHBondContact OG-N 2.95Å; S59-C63 PolarHBondContact O-N 3.3Å; S59-C63 PolarHBondContact O-SG 3.44Å; S59-D112 VanDerWaalsContact CB-OD1 3.25Å; S59-D112 WeakPolarHBondContact CB-OD1 3.48Å; S59-D112 VanDerWaalsContact CB-OD2 3.27Å; S59-D112 WeakPolarHBondContact CB-OD2 3.47Å; S59-D112 PolarHBondContact OG-OD1 3.29Å; S59-D112 PolarHBondContact OG-OD2 3.15Å
60Q93Very high90.9Very high184 Ų18468.7 Ų68.786%0.8637%0.369SS*.Hα-helixtrans-58-32.8173.5-69.5-177-24.200112.3G64Q60-G64 PolarHBondContact O-N 2.84Å
61R93.6Very high91.5Very high88 Ų8869 Ų6933%0.33238%0.376SS..Hα-helixtrans-63.1-50.6175.9179.4-170.3167.4-154.4-7.5111S59 C63 G64 V65 D112 T114S59-R61 PolarHBondContact O-N 3.1Å; S59-R61 PolarHBondContact OG-N 3.32Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.35Å; R61-G64 WeakPolarHBondContact O-CA 3.29Å; R61-G64 PolarHBondContact O-N 2.91Å; R61-G64 VanDerWaalsContact O-N 3.12Å; R61-V65 WeakPolarHBondContact O-CG2 3.12Å; R61-V65 PolarHBondContact O-N 2.94Å; R61-D112 PolarHBondContact NH1-O 3.35Å; R61-T114 VanDerWaalsContact NH1-CG2 3.25Å
62L93.7Very high92.5Very high0 Ų069.1 Ų69.10%037%0.372CS..Hα-helixtrans-67.4-34.4-179.9-68.4178.8000112.1L58 S59 G64 V65 F66 I107 F111 D112L58-L62 HydrophobicContact CD2-CB 4.35Å; L58-L62 HydrophobicContact CD2-CD1 3.98Å; S59-L62 PolarHBondContact O-N 3.21Å; S59-L62 PolarHBondContact OG-N 2.95Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.45Å; L62-V65 PolarHBondContact O-N 2.9Å; L62-F66 VanDerWaalsContact O-CB 3.31Å; L62-F66 WeakPolarHBondContact O-CB 3.4Å; L62-F66 PolarHBondContact O-N 3.08Å; L62-I107 HydrophobicContact CD1-CG2 4.04Å; L62-I107 HydrophobicContact CD2-CG2 4.3Å; L62-F111 HydrophobicContact CD1-CB 4.22Å; L62-F111 HydrophobicContact CD2-CB 3.6Å; L62-D112 HydrophobicContact CD1-CB 4.47Å; L62-D112 VanDerWaalsContact CD1-CG 3.49Å; L62-D112 WeakPolarHBondContact CD1-OD2 3.45Å; L62-D112 WeakPolarHBondContact CG-OD1 3.45Å
63C96Very high93.3Very high60 Ų6062.2 Ų62.241%0.40534%0.336SS..Hα-helixtrans-59.7-42.6169.8-71.70000111.8S59 R61 F66 H67S59-C63 PolarHBondContact O-N 3.3Å; S59-C63 PolarHBondContact O-SG 3.44Å; R61-C63 VanDerWaalsContact C-N 3.32Å; R61-C63 PolarHBondContact O-N 3.35Å; C63-F66 PolarHBondContact O-N 3.4Å; C63-H67 PolarHBondContact O-N 3.25Å
64G96.6Very high94.1Very high32 Ų3266 Ų6633%0.3334%0.343SS..Hα-helixtrans-62-49.5173.700000112.6Q60 R61 L62 F66 H67 D68Q60-G64 PolarHBondContact O-N 2.84Å; R61-G64 WeakPolarHBondContact O-CA 3.29Å; R61-G64 PolarHBondContact O-N 2.91Å; R61-G64 VanDerWaalsContact O-N 3.12Å; L62-G64 VanDerWaalsContact C-N 3.32Å; L62-G64 PolarHBondContact O-N 3.45Å; G64-F66 VanDerWaalsContact C-N 3.29Å; G64-F66 PolarHBondContact O-N 2.97Å; G64-H67 PolarHBondContact O-N 3.14Å; G64-H67 VanDerWaalsContact O-N 3.11Å; G64-D68 PolarHBondContact O-N 3.08Å
65V97Very high94.6Very high18 Ų1860.5 Ų60.511%0.10932%0.318CS..Hα-helixtrans-58.5-42.2176.61760000111.1R61 L62 D68 V69 K155 I158R61-V65 WeakPolarHBondContact O-CG2 3.12Å; R61-V65 PolarHBondContact O-N 2.94Å; L62-V65 PolarHBondContact O-N 2.9Å; V65-D68 PolarHBondContact O-N 2.92Å; V65-V69 HydrophobicContact CG1-CG2 4.44Å; V65-V69 WeakPolarHBondContact O-CG2 3.48Å; V65-V69 PolarHBondContact O-N 3.16Å; V65-K155 HydrophobicContact CG1-CG 3.95Å; V65-I158 HydrophobicContact CG1-CD1 3.81Å
66F98.3Very high94.9Very high15 Ų1568.3 Ų68.37%0.06635%0.347CS..Hα-helixtrans-61.6-43.6176.3177.7-110.6000112L62 C63 G64 V69 L70 A83 V105 I107 I158 I162L62-F66 VanDerWaalsContact O-CB 3.31Å; L62-F66 WeakPolarHBondContact O-CB 3.4Å; L62-F66 PolarHBondContact O-N 3.08Å; C63-F66 PolarHBondContact O-N 3.4Å; G64-F66 VanDerWaalsContact C-N 3.29Å; G64-F66 PolarHBondContact O-N 2.97Å; F66-V69 PolarHBondContact O-N 3.39Å; F66-L70 HydrophobicContact CD1-CD1 3.99Å; F66-L70 HydrophobicContact CE1-CD1 3.55Å; F66-L70 HydrophobicContact CE1-CG 4.25Å; F66-L70 HydrophobicContact CE2-CD2 4.46Å; F66-L70 HydrophobicContact CE2-CG 4.46Å; F66-L70 HydrophobicContact CZ-CD1 3.9Å; F66-L70 HydrophobicContact CZ-CD2 4.23Å; F66-L70 HydrophobicContact CZ-CG 4.22Å; F66-L70 WeakPolarHBondContact O-CG 3.18Å; F66-L70 PolarHBondContact O-N 2.9Å; F66-A83 HydrophobicContact CB-CB 4.36Å; F66-A83 HydrophobicContact CD1-CB 3.66Å; F66-A83 HydrophobicContact CD2-CB 3.98Å; F66-A83 HydrophobicContact CE1-CB 3.79Å; F66-A83 HydrophobicContact CE2-CB 4.12Å; F66-A83 HydrophobicContact CG-CB 3.74Å; F66-A83 HydrophobicContact CZ-CB 4Å; F66-V105 HydrophobicContact CE2-CB 3.84Å; F66-V105 HydrophobicContact CE2-CG1 4.35Å; F66-V105 HydrophobicContact CE2-CG2 3.95Å; F66-V105 HydrophobicContact CZ-CB 4.5Å; F66-V105 HydrophobicContact CZ-CG2 4.48Å; F66-I107 HydrophobicContact CB-CD1 3.95Å; F66-I107 HydrophobicContact CD2-CD1 4.04Å; F66-I107 HydrophobicContact CG-CD1 4.27Å; F66-I158 HydrophobicContact CD2-CG2 3.87Å; F66-I162 HydrophobicContact CD2-CD1 4.32Å; F66-I162 HydrophobicContact CE2-CD1 4.01Å; F66-I162 HydrophobicContact CE2-CG1 4.42Å
67H98Very high95.2Very high109 Ų10969.6 Ų69.651%0.50535%0.354SS..Hα-helixtrans-64.6-45.4177.9-170.773000112.3C63 G64 V69 L70 Q71C63-H67 PolarHBondContact O-N 3.25Å; G64-H67 PolarHBondContact O-N 3.14Å; G64-H67 VanDerWaalsContact O-N 3.11Å; H67-V69 VanDerWaalsContact C-N 3.25Å; H67-V69 PolarHBondContact O-N 3Å; H67-L70 WeakPolarHBondContact O-CB 3.33Å; H67-L70 PolarHBondContact O-N 3.39Å; H67-L70 VanDerWaalsContact O-N 3.15Å; H67-Q71 PolarHBondContact O-N 2.91Å
68D98.1Very high95.5Very high65 Ų6562.6 Ų62.635%0.34833%0.328SS..Hα-helixtrans-52.9-46.8172.8-76.97.4000110.8G64 V65 L70 Q71 D72 K155G64-D68 PolarHBondContact O-N 3.08Å; V65-D68 PolarHBondContact O-N 2.92Å; D68-L70 PolarHBondContact O-N 2.82Å; D68-Q71 WeakPolarHBondContact O-CB 3.5Å; D68-Q71 PolarHBondContact O-N 3.31Å; D68-Q71 VanDerWaalsContact O-N 3.17Å; D68-D72 WeakPolarHBondContact O-CB 2.91Å; D68-D72 PolarHBondContact O-N 2.99Å; D68-K155 WeakPolarHBondContact OD2-CE 3.28Å; D68-K155 IonicContact OD2-NZ 3.92Å; D68-K155 PolarHBondContact OD2-NZ 3.34Å
69V98.6Very high95.8Very high0 Ų068.3 Ų68.30%036%0.359CS..Hα-helixtrans-67.1-37.5-178.5178.90000111.6V65 F66 H67 Q71 D72 T73 K155 I158 A159 I162 Y246V65-V69 HydrophobicContact CG1-CG2 4.44Å; V65-V69 WeakPolarHBondContact O-CG2 3.48Å; V65-V69 PolarHBondContact O-N 3.16Å; F66-V69 PolarHBondContact O-N 3.39Å; H67-V69 VanDerWaalsContact C-N 3.25Å; H67-V69 PolarHBondContact O-N 3Å; V69-Q71 VanDerWaalsContact C-N 3.25Å; V69-Q71 PolarHBondContact O-N 3.35Å; V69-D72 PolarHBondContact O-N 3.28Å; V69-T73 HydrophobicContact CG1-CG2 4Å; V69-T73 WeakPolarHBondContact O-CB 3.29Å; V69-T73 VanDerWaalsContact O-CG2 3.28Å; V69-T73 WeakPolarHBondContact O-CG2 3.44Å; V69-T73 PolarHBondContact O-N 3.25Å; V69-T73 PolarHBondContact O-OG1 2.92Å; V69-K155 HydrophobicContact CG2-CB 3.97Å; V69-K155 HydrophobicContact CG2-CG 3.88Å; V69-I158 HydrophobicContact CB-CG2 4.11Å; V69-I158 HydrophobicContact CG1-CB 4.42Å; V69-I158 HydrophobicContact CG1-CG2 3.99Å; V69-I158 HydrophobicContact CG2-CB 4.29Å; V69-I158 HydrophobicContact CG2-CG2 4.22Å; V69-A159 HydrophobicContact CG1-CB 3.63Å; V69-I162 HydrophobicContact CB-CD1 4.22Å; V69-I162 HydrophobicContact CG1-CD1 3.61Å; V69-Y246 WeakPolarHBondContact CG2-OH 3.47Å
70L98.4Very high96Very high8 Ų868 Ų684%0.04236%0.356CS..Hα-helixtrans-60.4-38.4173.7-70.3173.8000111.4F66 H67 D68 T73 N74 V75 A78 Y81 I162F66-L70 HydrophobicContact CD1-CD1 3.99Å; F66-L70 HydrophobicContact CE1-CD1 3.55Å; F66-L70 HydrophobicContact CE1-CG 4.25Å; F66-L70 HydrophobicContact CE2-CD2 4.46Å; F66-L70 HydrophobicContact CE2-CG 4.46Å; F66-L70 HydrophobicContact CZ-CD1 3.9Å; F66-L70 HydrophobicContact CZ-CD2 4.23Å; F66-L70 HydrophobicContact CZ-CG 4.22Å; F66-L70 WeakPolarHBondContact O-CG 3.18Å; F66-L70 PolarHBondContact O-N 2.9Å; H67-L70 WeakPolarHBondContact O-CB 3.33Å; H67-L70 PolarHBondContact O-N 3.39Å; H67-L70 VanDerWaalsContact O-N 3.15Å; D68-L70 PolarHBondContact O-N 2.82Å; L70-T73 PolarHBondContact O-OG1 3.22Å; L70-N74 PolarHBondContact O-N 3.15Å; L70-V75 HydrophobicContact CB-CG2 4.1Å; L70-V75 HydrophobicContact CD2-CG1 4.1Å; L70-V75 HydrophobicContact CD2-CG2 4.07Å; L70-V75 PolarHBondContact O-N 3.05Å; L70-A78 HydrophobicContact CD1-CB 4.21Å; L70-Y81 HydrophobicContact CD2-CD1 4.21Å; L70-Y81 HydrophobicContact CD2-CD2 3.85Å; L70-Y81 HydrophobicContact CD2-CE2 4.49Å; L70-Y81 HydrophobicContact CD2-CG 3.68Å; L70-I162 HydrophobicContact CD2-CD1 3.68Å; L70-I162 HydrophobicContact CD2-CG1 4.14Å; L70-I162 HydrophobicContact CD2-CG2 4.26Å; L70-I162 HydrophobicContact CG-CD1 4.18Å
71Q97.8Very high96.3Very high140 Ų14059.9 Ų59.965%0.65432%0.318SS*.Hα-helixtrans-68.5-49.6174.8-176.3177.4-500111.5H67 D68 V69 T73 N74H67-Q71 PolarHBondContact O-N 2.91Å; D68-Q71 WeakPolarHBondContact O-CB 3.5Å; D68-Q71 PolarHBondContact O-N 3.31Å; D68-Q71 VanDerWaalsContact O-N 3.17Å; V69-Q71 VanDerWaalsContact C-N 3.25Å; V69-Q71 PolarHBondContact O-N 3.35Å; Q71-T73 VanDerWaalsContact C-N 3.27Å; Q71-T73 PolarHBondContact O-N 2.83Å; Q71-N74 PolarHBondContact O-N 3.02Å
72D98Very high96.5Very high67 Ų6762 Ų6236%0.35833%0.326SS..Hα-helixtrans-61.7-34.6-178.6-69.5-18000112.3D68 V69 N74 K155 I242 Y246D68-D72 WeakPolarHBondContact O-CB 2.91Å; D68-D72 PolarHBondContact O-N 2.99Å; V69-D72 PolarHBondContact O-N 3.28Å; D72-N74 VanDerWaalsContact C-N 3.27Å; D72-N74 PolarHBondContact O-N 3.39Å; D72-K155 IonicContact OD2-NZ 2.87Å; D72-I242 HydrophobicContact CB-CG2 4.09Å; D72-Y246 HydrophobicContact CB-CE2 4.11Å; D72-Y246 VanDerWaalsContact CB-OH 3.32Å; D72-Y246 WeakPolarHBondContact CB-OH 3.29Å; D72-Y246 WeakPolarHBondContact OD2-CE2 3.28Å; D72-Y246 PolarHBondContact OD2-OH 3.32Å
73T96.6Very high96.6Very high16 Ų1663.6 Ų63.610%0.09834%0.339CS..THydrogen-bonded Turntrans-80.6-5.6176.453.50000113.5V69 L70 Q71 V75 A159 I162 V163 I242V69-T73 HydrophobicContact CG1-CG2 4Å; V69-T73 WeakPolarHBondContact O-CB 3.29Å; V69-T73 VanDerWaalsContact O-CG2 3.28Å; V69-T73 WeakPolarHBondContact O-CG2 3.44Å; V69-T73 PolarHBondContact O-N 3.25Å; V69-T73 PolarHBondContact O-OG1 2.92Å; L70-T73 PolarHBondContact O-OG1 3.22Å; Q71-T73 VanDerWaalsContact C-N 3.27Å; Q71-T73 PolarHBondContact O-N 2.83Å; T73-V75 PolarHBondContact O-N 2.55Å; T73-V75 WeakPolarHBondContact OG1-CG1 3.36Å; T73-A159 HydrophobicContact CG2-CB 3.97Å; T73-I162 HydrophobicContact CG2-CG2 4.24Å; T73-V163 HydrophobicContact CG2-CG2 4.01Å; T73-I242 HydrophobicContact CG2-CD1 3.63Å
74N95.3Very high96.6Very high134 Ų13461.2 Ų61.272%0.71732%0.322SS*.THydrogen-bonded Turntrans5251.2179.8-166.720.6000112.7L70 Q71 D72L70-N74 PolarHBondContact O-N 3.15Å; Q71-N74 PolarHBondContact O-N 3.02Å; D72-N74 VanDerWaalsContact C-N 3.27Å; D72-N74 PolarHBondContact O-N 3.39Å
75V95.5Very high96.5Very high17 Ų1759.8 Ų59.810%0.10331%0.307CS..  trans-66.8143176.7-600000111.1L70 T73 S77 A78 Y81 I162L70-V75 HydrophobicContact CB-CG2 4.1Å; L70-V75 HydrophobicContact CD2-CG1 4.1Å; L70-V75 HydrophobicContact CD2-CG2 4.07Å; L70-V75 PolarHBondContact O-N 3.05Å; T73-V75 PolarHBondContact O-N 2.55Å; T73-V75 WeakPolarHBondContact OG1-CG1 3.36Å; V75-S77 VanDerWaalsContact C-N 3.28Å; V75-S77 PolarHBondContact O-N 3.22Å; V75-A78 HydrophobicContact CG2-CB 4.27Å; V75-Y81 HydrophobicContact CB-CD2 4.46Å; V75-Y81 HydrophobicContact CB-CE2 3.76Å; V75-Y81 HydrophobicContact CG1-CD2 4.48Å; V75-Y81 HydrophobicContact CG1-CE2 3.78Å; V75-Y81 HydrophobicContact CG2-CD2 4.32Å; V75-Y81 HydrophobicContact CG2-CE2 4.1Å; V75-I162 HydrophobicContact CG1-CG2 3.6Å
76K92.1Very high96.2Very high214 Ų21459 Ų5993%0.9330%0.302SS*.SBendtrans-63.1-32.2-179.9-65.7-175.3179-178.10113.9
77S93.8Very high95.6Very high50 Ų5061.9 Ų61.935%0.3532%0.324SS..  trans-148.6102.6-177.2170.90000108.7V75 N79 S80 Y81V75-S77 VanDerWaalsContact C-N 3.28Å; V75-S77 PolarHBondContact O-N 3.22Å; S77-N79 PolarHBondContact O-N 2.94Å; S77-S80 WeakPolarHBondContact CB-OG 2.94Å; S77-S80 WeakPolarHBondContact O-CB 3.44Å; S77-S80 PolarHBondContact O-N 3.01Å; S77-S80 PolarHBondContact OG-OG 3.04Å; S77-Y81 WeakPolarHBondContact O-CD2 3.45Å
78A94.9Very high95Very high37 Ų3758.1 Ų58.131%0.30632%0.315SS..G310 helixtrans-61.3-33.6177.100000111.9L70 V75 S80 Y81L70-A78 HydrophobicContact CD1-CB 4.21Å; V75-A78 HydrophobicContact CG2-CB 4.27Å; A78-S80 PolarHBondContact O-N 3.04Å; A78-S80 VanDerWaalsContact O-N 3.11Å; A78-Y81 PolarHBondContact O-N 3.38Å
79N95.3Very high94.4Very high147 Ų14758.2 Ų58.279%0.78631%0.312SS*.G310 helixtrans-64.1-16.2178.2-65.2-17.3000113.7S77 Y81S77-N79 PolarHBondContact O-N 2.94Å; N79-Y81 PolarHBondContact O-N 2.78Å
80S96.6Very high94Very high26 Ų2661.1 Ų61.118%0.18233%0.326CS..G310 helixtrans-78.3-4.3174.4-61.60000113.2S77 A78 P97 G102 S103S77-S80 WeakPolarHBondContact CB-OG 2.94Å; S77-S80 WeakPolarHBondContact O-CB 3.44Å; S77-S80 PolarHBondContact O-N 3.01Å; S77-S80 PolarHBondContact OG-OG 3.04Å; A78-S80 PolarHBondContact O-N 3.04Å; A78-S80 VanDerWaalsContact O-N 3.11Å; S80-P97 WeakPolarHBondContact CB-O 3.41Å; S80-P97 PolarHBondContact OG-O 3.33Å; S80-G102 CarbonylContact O-C 3.47Å; S80-G102 WeakPolarHBondContact O-CA 3.27Å; S80-S103 PolarHBondContact O-N 3.48Å
81Y97.9Very high93.9Very high14 Ų1460.8 Ų60.86%0.05532%0.324CS..EExtended strand (participates in β ladder)trans-120.9138.3-178.7-60.8-97.4000110.8L70 V75 S77 A78 N79 P97 S103 I162 L165L70-Y81 HydrophobicContact CD2-CD1 4.21Å; L70-Y81 HydrophobicContact CD2-CD2 3.85Å; L70-Y81 HydrophobicContact CD2-CE2 4.49Å; L70-Y81 HydrophobicContact CD2-CG 3.68Å; V75-Y81 HydrophobicContact CB-CD2 4.46Å; V75-Y81 HydrophobicContact CB-CE2 3.76Å; V75-Y81 HydrophobicContact CG1-CD2 4.48Å; V75-Y81 HydrophobicContact CG1-CE2 3.78Å; V75-Y81 HydrophobicContact CG2-CD2 4.32Å; V75-Y81 HydrophobicContact CG2-CE2 4.1Å; S77-Y81 WeakPolarHBondContact O-CD2 3.45Å; A78-Y81 PolarHBondContact O-N 3.38Å; N79-Y81 PolarHBondContact O-N 2.78Å; Y81-P97 HydrophobicContact CE1-CB 4.11Å; Y81-P97 HydrophobicContact CE1-CG 4.49Å; Y81-P97 HydrophobicContact CE2-CB 3.81Å; Y81-P97 WeakPolarHBondContact OH-CB 3.15Å; Y81-P97 WeakPolarHBondContact OH-CG 3.4Å; Y81-S103 CarbonylContact C-O 3.53Å; Y81-S103 WeakPolarHBondContact CA-O 3.22Å; Y81-I162 HydrophobicContact CE1-CG2 4.13Å; Y81-L165 HydrophobicContact CE1-CB 4.36Å; Y81-L165 HydrophobicContact CE1-CD1 4.43Å
82R97.4Very high93.8Very high134 Ų13455.1 Ų55.151%0.50630%0.299SS..EExtended strand (participates in β ladder)trans-131.3135.5178-62.3178.5-177.1179.6-0.8109.7E40 S103 V104 V105E40-R82 WeakPolarHBondContact OE1-CD 3.38Å; E40-R82 IonicContact OE1-CZ 3.65Å; E40-R82 IonicContact OE1-NE 3.89Å; E40-R82 IonicContact OE1-NH1 2.68Å; E40-R82 PolarHBondContact OE1-NH1 3.08Å; E40-R82 IonicContact OE2-NH1 3.58Å; R82-S103 PolarHBondContact N-O 3.39Å; R82-V104 CarbonylContact O-C 3.55Å; R82-V104 VanDerWaalsContact O-CA 3.25Å; R82-V104 WeakPolarHBondContact O-CA 3.38Å; R82-V105 PolarHBondContact O-N 3.41Å
83A97.2Very high93.8Very high32 Ų3252.5 Ų52.526%0.26429%0.286SS..EExtended strand (participates in β ladder)trans-95.8149.7173.100000110.9L58 F66 V105 I107L58-A83 HydrophobicContact CD1-CB 3.38Å; F66-A83 HydrophobicContact CB-CB 4.36Å; F66-A83 HydrophobicContact CD1-CB 3.66Å; F66-A83 HydrophobicContact CD2-CB 3.98Å; F66-A83 HydrophobicContact CE1-CB 3.79Å; F66-A83 HydrophobicContact CE2-CB 4.12Å; F66-A83 HydrophobicContact CG-CB 3.74Å; F66-A83 HydrophobicContact CZ-CB 4Å; A83-V105 CarbonylContact C-O 3.41Å; A83-V105 VanDerWaalsContact CA-O 3.23Å; A83-V105 WeakPolarHBondContact CA-O 3.25Å; A83-I107 HydrophobicContact CB-CD1 3.98Å
84F95.7Very high93.8Very high10 Ų1051.7 Ų51.74%0.04428%0.281CS..EExtended strand (participates in β ladder)trans-144.5160.117171-82.9000111F43 K44 H47 E48 A86 V104 V105 G106 I107F43-F84 HydrophobicContact CD1-CZ 4.35Å; F43-F84 HydrophobicContact CE1-CE1 4.45Å; F43-F84 HydrophobicContact CE1-CZ 4.18Å; K44-F84 HydrophobicContact CB-CE1 4.44Å; K44-F84 HydrophobicContact CB-CZ 4.39Å; K44-F84 HydrophobicContact CD-CB 4.32Å; K44-F84 HydrophobicContact CD-CD1 4.41Å; K44-F84 HydrophobicContact CD-CG 4.18Å; K44-F84 HydrophobicContact CG-CD1 4.19Å; K44-F84 HydrophobicContact CG-CD2 3.88Å; K44-F84 HydrophobicContact CG-CE1 4.34Å; K44-F84 HydrophobicContact CG-CE2 4.06Å; K44-F84 HydrophobicContact CG-CG 3.95Å; K44-F84 HydrophobicContact CG-CZ 4.28Å; H47-F84 HydrophobicContact CB-CE2 4.02Å; H47-F84 HydrophobicContact CB-CZ 4.02Å; E48-F84 HydrophobicContact CB-CD2 4.42Å; F84-A86 HydrophobicContact CE2-CB 4.18Å; F84-A86 PolarHBondContact O-N 3.2Å; F84-V104 HydrophobicContact CD1-CB 4.09Å; F84-V104 HydrophobicContact CD1-CG2 4.49Å; F84-V104 HydrophobicContact CE1-CB 3.97Å; F84-V104 HydrophobicContact CE1-CG2 3.89Å; F84-V105 PolarHBondContact N-O 2.88Å; F84-G106 VanDerWaalsContact CZ-CA 3.47Å; F84-G106 CarbonylContact O-C 3.58Å; F84-G106 WeakPolarHBondContact O-CA 3.27Å; F84-I107 PolarHBondContact O-N 3.45Å
85A93.5Very high93.9Very high2 Ų245.3 Ų45.32%0.01725%0.247CC..EExtended strand (participates in β ladder)trans-75.4121.6177.300000110.2E48 C49 A56 L58 I107 P109E48-A85 WeakPolarHBondContact CA-O 3.28Å; C49-A85 HydrophobicContact CB-CB 4.08Å; C49-A85 PolarHBondContact N-O 3.38Å; A56-A85 HydrophobicContact CB-CB 4.02Å; A56-A85 VanDerWaalsContact O-CB 3.25Å; A56-A85 WeakPolarHBondContact O-CB 3.4Å; L58-A85 HydrophobicContact CD2-CB 4.01Å; L58-A85 HydrophobicContact CG-CB 4.27Å; A85-I107 WeakPolarHBondContact CA-O 3.49Å; A85-P109 HydrophobicContact CB-CG 4.4Å
86A91.9Very high93.9Very high1 Ų144.9 Ų44.91%0.00824%0.244CC..BIsolated β-bridgetrans-103.1140.8-178.900000112.6H47 F84 G88 V92 I107 P109H47-A86 CarbonylContact O-C 3.57Å; H47-A86 WeakPolarHBondContact O-CA 3.46Å; F84-A86 HydrophobicContact CE2-CB 4.18Å; F84-A86 PolarHBondContact O-N 3.2Å; A86-G88 PolarHBondContact O-N 3.06Å; A86-V92 HydrophobicContact CB-CG2 4.28Å; A86-I107 PolarHBondContact N-O 3.15Å; A86-P109 WeakPolarHBondContact O-CD 3.44Å
87S84.4Confident94.1Very high76 Ų7635.5 Ų35.553%0.53121%0.205SC..SBendtrans-73.7-1.1-179.256.20000115.1H47H47-S87 PolarHBondContact O-N 3.21Å; H47-S87 PolarHBondContact O-OG 2.5Å
88G85.4Confident94.1Very high30 Ų3039.7 Ų39.731%0.30921%0.213SC..SBendtrans-87.9-174177.400000113.9A86 P108A86-G88 PolarHBondContact O-N 3.06Å; G88-P108 WeakPolarHBondContact O-CB 3.45Å
89F87Confident94.1Very high67 Ų6740.5 Ų40.529%0.29421%0.212SC..SBendtrans-107.81.1176.9-64-65.4000114.1V126 L147F89-V126 HydrophobicContact CE1-CG2 4.2Å; F89-V126 HydrophobicContact CZ-CG1 4.22Å; F89-V126 HydrophobicContact CZ-CG2 3.87Å; F89-L147 HydrophobicContact CB-CD2 3.86Å; F89-L147 HydrophobicContact CD1-CD1 4.04Å; F89-L147 HydrophobicContact CD1-CD2 3.53Å; F89-L147 HydrophobicContact CD1-CG 4.42Å; F89-L147 HydrophobicContact CE1-CD1 3.86Å; F89-L147 HydrophobicContact CE1-CD2 4.19Å; F89-L147 HydrophobicContact CG-CD2 3.76Å
90H90.2Very high94Very high61 Ų6140 Ų4028%0.28222%0.217SC..SBendtrans-141154.9174.758.869.3000109.4P108 F253H90-P108 WeakPolarHBondContact O-CG 3.35Å; H90-F253 HydrophobicContact CB-CE2 4.41Å; H90-F253 HydrophobicContact CB-CZ 4.29Å
91P95.4Very high93.9Very high1 Ų140.6 Ų40.61%0.00622%0.223CC..  trans-56.3149.9174.7-27.737.3000112.6G106 F111 A157 I158 E161P91-G106 WeakPolarHBondContact CA-O 3.27Å; P91-F111 HydrophobicContact CG-CE1 3.82Å; P91-F111 HydrophobicContact CG-CZ 3.82Å; P91-A157 HydrophobicContact CG-CB 3.87Å; P91-I158 HydrophobicContact CG-CG1 4.26Å; P91-E161 HydrophobicContact CB-CG 3.88Å
92V95.4Very high93.8Very high22 Ų2240.2 Ų40.213%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-140.6153.9176.7-630000108.9F43 H47 A86 V105 G106F43-V92 HydrophobicContact CE1-CB 4.44Å; F43-V92 HydrophobicContact CE1-CG2 3.94Å; F43-V92 HydrophobicContact CZ-CB 3.85Å; F43-V92 HydrophobicContact CZ-CG2 3.78Å; H47-V92 HydrophobicContact CB-CG2 4.27Å; A86-V92 HydrophobicContact CB-CG2 4.28Å; V92-V105 CarbonylContact O-C 3.52Å; V92-G106 PolarHBondContact N-O 3.35Å; V92-G106 PolarHBondContact O-N 3.01Å
93S97.3Very high93.9Very high11 Ų1133.9 Ų33.98%0.07720%0.2CC..EExtended strand (participates in β ladder)trans-148.5154-176.967.50000114.4F43 V104 E161F43-S93 WeakPolarHBondContact CZ-O 3.38Å; S93-V104 WeakPolarHBondContact CA-O 3.22Å; S93-E161 WeakPolarHBondContact CB-OE2 3.34Å; S93-E161 PolarHBondContact N-OE2 2.7Å; S93-E161 PolarHBondContact OG-OE2 2.9Å
94A97.4Very high93.9Very high0 Ų032.5 Ų32.50%019%0.188CC..EExtended strand (participates in β ladder)trans-152.6169.8172.600000110.8P39 F43 S103 V104P39-A94 HydrophobicContact CB-CB 4.16Å; F43-A94 HydrophobicContact CB-CB 3.71Å; F43-A94 HydrophobicContact CD1-CB 3.53Å; F43-A94 HydrophobicContact CD2-CB 3.59Å; F43-A94 HydrophobicContact CE1-CB 3.93Å; F43-A94 HydrophobicContact CE2-CB 3.98Å; F43-A94 HydrophobicContact CG-CB 3.31Å; F43-A94 HydrophobicContact CZ-CB 4.12Å; A94-S103 WeakPolarHBondContact O-CA 3.37Å; A94-V104 HydrophobicContact CB-CG2 4.42Å; A94-V104 PolarHBondContact N-O 3.06Å; A94-V104 VanDerWaalsContact N-O 3.07Å; A94-V104 PolarHBondContact O-N 3.15Å
95G96.8Very high94Very high0 Ų032 Ų320%019%0.186CC..EExtended strand (participates in β ladder)trans108.4-178.1-178.300000114.7H36 G102H36-G95 PolarHBondContact ND1-N 3.37Å; H36-G95 CarbonylContact O-C 3.53Å; H36-G95 WeakPolarHBondContact O-CA 3.11Å; G95-G102 WeakPolarHBondContact CA-O 3.32Å
96M96.1Very high94.2Very high7 Ų731.9 Ų31.93%0.03419%0.185CC..  trans-141.2116.5174.4-76.1172.7-86.700108.3L33 H36 V37 W98 L99 G102 S103L33-M96 HydrophobicContact CD1-CE 3.85Å; L33-M96 HydrophobicContact CD1-SD 4.17Å; L33-M96 HydrophobicContact CD2-CE 3.77Å; L33-M96 HydrophobicContact CD2-SD 4.29Å; L33-M96 HydrophobicContact CG-CE 3.69Å; L33-M96 HydrophobicContact CG-SD 4.49Å; H36-M96 HydrophobicContact CB-CE 3.96Å; H36-M96 WeakPolarHBondContact O-CE 3.22Å; V37-M96 HydrophobicContact CG2-CE 3.77Å; M96-W98 HydrophobicContact CB-CD2 4.29Å; M96-W98 HydrophobicContact CB-CH2 4.28Å; M96-W98 HydrophobicContact CB-CZ2 3.93Å; M96-W98 HydrophobicContact CG-CH2 4.05Å; M96-W98 HydrophobicContact CG-CZ2 3.74Å; M96-W98 PolarHBondContact O-N 3.5Å; M96-W98 HydrophobicContact SD-CZ2 3.75Å; M96-L99 HydrophobicContact CB-CB 4.37Å; M96-L99 HydrophobicContact CB-CD1 3.98Å; M96-L99 HydrophobicContact CB-CG 3.91Å; M96-L99 HydrophobicContact CE-CD1 3.35Å; M96-L99 HydrophobicContact CE-CG 4.43Å; M96-L99 PolarHBondContact O-N 2.81Å; M96-L99 HydrophobicContact SD-CD1 3.93Å; M96-L99 HydrophobicContact SD-CG 4.46Å; M96-G102 CarbonylContact C-O 3.47Å; M96-G102 PolarHBondContact N-O 2.81Å; M96-G102 CarbonylContact O-C 3.56Å; M96-G102 VanDerWaalsContact O-O 3.1Å; M96-S103 PolarHBondContact N-OG 2.83Å
97P96Very high94.4Very high17 Ų1731.9 Ų31.911%0.1119%0.185CC..THydrogen-bonded Turntrans-68.3-14.1-167.825.8-34.9000114.4S80 Y81 S103S80-P97 WeakPolarHBondContact CB-O 3.41Å; S80-P97 PolarHBondContact OG-O 3.33Å; Y81-P97 HydrophobicContact CE1-CB 4.11Å; Y81-P97 HydrophobicContact CE1-CG 4.49Å; Y81-P97 HydrophobicContact CE2-CB 3.81Å; Y81-P97 WeakPolarHBondContact OH-CB 3.15Å; Y81-P97 WeakPolarHBondContact OH-CG 3.4Å; P97-S103 WeakPolarHBondContact CD-OG 3.25Å
98W94.2Very high94.7Very high138 Ų13828.2 Ų28.252%0.52316%0.159SC..THydrogen-bonded Turntrans-92.7-4.4175.462.182.3000113.8M96M96-W98 HydrophobicContact CB-CD2 4.29Å; M96-W98 HydrophobicContact CB-CH2 4.28Å; M96-W98 HydrophobicContact CB-CZ2 3.93Å; M96-W98 HydrophobicContact CG-CH2 4.05Å; M96-W98 HydrophobicContact CG-CZ2 3.74Å; M96-W98 PolarHBondContact O-N 3.5Å; M96-W98 HydrophobicContact SD-CZ2 3.75Å
99L94.8Very high94.8Very high54 Ų5428 Ų2828%0.28315%0.152SC..SBendtrans-89155.7172.4-68-172.9000110.8M96 A101 G102M96-L99 HydrophobicContact CB-CB 4.37Å; M96-L99 HydrophobicContact CB-CD1 3.98Å; M96-L99 HydrophobicContact CB-CG 3.91Å; M96-L99 HydrophobicContact CE-CD1 3.35Å; M96-L99 HydrophobicContact CE-CG 4.43Å; M96-L99 PolarHBondContact O-N 2.81Å; M96-L99 HydrophobicContact SD-CD1 3.93Å; M96-L99 HydrophobicContact SD-CG 4.46Å; L99-A101 PolarHBondContact O-N 3.26Å; L99-G102 WeakPolarHBondContact O-CA 3.32Å; L99-G102 PolarHBondContact O-N 3.37Å
100P93.5Very high94.8Very high137 Ų13725.2 Ų25.289%0.8914%0.14SC*.THydrogen-bonded Turntrans-58-32.4177.2-26.435.2000114.2G102P100-G102 PolarHBondContact O-N 3.12Å
101A94.6Very high94.7Very high39 Ų3922.3 Ų22.332%0.32213%0.127SC..THydrogen-bonded Turntrans-72-13.8175.600000113.2V37 L99V37-A101 WeakPolarHBondContact O-CB 3.49Å; L99-A101 PolarHBondContact O-N 3.26Å
102G96.4Very high94.2Very high6 Ų624.2 Ų24.26%0.06214%0.137CC..  trans61.7-141.217800000113.4S80 G95 M96 L99 P100S80-G102 CarbonylContact O-C 3.47Å; S80-G102 WeakPolarHBondContact O-CA 3.27Å; G95-G102 WeakPolarHBondContact CA-O 3.32Å; M96-G102 CarbonylContact C-O 3.47Å; M96-G102 PolarHBondContact N-O 2.81Å; M96-G102 CarbonylContact O-C 3.56Å; M96-G102 VanDerWaalsContact O-O 3.1Å; L99-G102 WeakPolarHBondContact O-CA 3.32Å; L99-G102 PolarHBondContact O-N 3.37Å; P100-G102 PolarHBondContact O-N 3.12Å
103S97.7Very high93.2Very high1 Ų123.2 Ų23.21%0.00713%0.131CC..EExtended strand (participates in β ladder)trans-139.3142.2-171.8-76.40000111.1S80 Y81 R82 A94 M96 P97S80-S103 PolarHBondContact O-N 3.48Å; Y81-S103 CarbonylContact C-O 3.53Å; Y81-S103 WeakPolarHBondContact CA-O 3.22Å; R82-S103 PolarHBondContact N-O 3.39Å; A94-S103 WeakPolarHBondContact O-CA 3.37Å; M96-S103 PolarHBondContact N-OG 2.83Å; P97-S103 WeakPolarHBondContact CD-OG 3.25Å
104V97.9Very high91.7Very high2 Ų224.5 Ų24.51%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-119.6137.5177.2-560000110.2P39 E40 F43 R82 F84 S93 A94P39-V104 HydrophobicContact CB-CG1 4.21Å; P39-V104 HydrophobicContact CB-CG2 3.72Å; P39-V104 HydrophobicContact CG-CG1 4.36Å; E40-V104 HydrophobicContact CG-CG1 3.94Å; F43-V104 HydrophobicContact CD1-CG2 3.83Å; F43-V104 HydrophobicContact CE1-CG2 4.38Å; R82-V104 CarbonylContact O-C 3.55Å; R82-V104 VanDerWaalsContact O-CA 3.25Å; R82-V104 WeakPolarHBondContact O-CA 3.38Å; F84-V104 HydrophobicContact CD1-CB 4.09Å; F84-V104 HydrophobicContact CD1-CG2 4.49Å; F84-V104 HydrophobicContact CE1-CB 3.97Å; F84-V104 HydrophobicContact CE1-CG2 3.89Å; S93-V104 WeakPolarHBondContact CA-O 3.22Å; A94-V104 HydrophobicContact CB-CG2 4.42Å; A94-V104 PolarHBondContact N-O 3.06Å; A94-V104 VanDerWaalsContact N-O 3.07Å; A94-V104 PolarHBondContact O-N 3.15Å
105V98.2Very high89.9Confident0 Ų029.2 Ų29.20%017%0.167CC..EExtended strand (participates in β ladder)trans-123.2113.3176.3-176.60000108.2F66 R82 A83 F84 V92 I107 E161 I162 L165F66-V105 HydrophobicContact CE2-CB 3.84Å; F66-V105 HydrophobicContact CE2-CG1 4.35Å; F66-V105 HydrophobicContact CE2-CG2 3.95Å; F66-V105 HydrophobicContact CZ-CB 4.5Å; F66-V105 HydrophobicContact CZ-CG2 4.48Å; R82-V105 PolarHBondContact O-N 3.41Å; A83-V105 CarbonylContact C-O 3.41Å; A83-V105 VanDerWaalsContact CA-O 3.23Å; A83-V105 WeakPolarHBondContact CA-O 3.25Å; F84-V105 PolarHBondContact N-O 2.88Å; V92-V105 CarbonylContact O-C 3.52Å; V105-I107 HydrophobicContact CG1-CG1 4.33Å; V105-E161 HydrophobicContact CG1-CB 4.29Å; V105-I162 HydrophobicContact CG2-CG1 4.24Å; V105-L165 HydrophobicContact CG2-CD1 4.35Å
106G96.7Very high88.1Confident0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-81.2120.4175.100000109.8F84 P91 V92F84-G106 VanDerWaalsContact CZ-CA 3.47Å; F84-G106 CarbonylContact O-C 3.58Å; F84-G106 WeakPolarHBondContact O-CA 3.27Å; P91-G106 WeakPolarHBondContact CA-O 3.27Å; V92-G106 PolarHBondContact N-O 3.35Å; V92-G106 PolarHBondContact O-N 3.01Å
107I96.1Very high86.5Confident0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-110125.5178.4-54.7175.2000108.3L58 L62 F66 A83 F84 A85 A86 V105 F111 I158L58-I107 HydrophobicContact CD1-CD1 4.34Å; L58-I107 HydrophobicContact CD2-CB 3.93Å; L58-I107 HydrophobicContact CD2-CG2 4.49Å; L62-I107 HydrophobicContact CD1-CG2 4.04Å; L62-I107 HydrophobicContact CD2-CG2 4.3Å; F66-I107 HydrophobicContact CB-CD1 3.95Å; F66-I107 HydrophobicContact CD2-CD1 4.04Å; F66-I107 HydrophobicContact CG-CD1 4.27Å; A83-I107 HydrophobicContact CB-CD1 3.98Å; F84-I107 PolarHBondContact O-N 3.45Å; A85-I107 WeakPolarHBondContact CA-O 3.49Å; A86-I107 PolarHBondContact N-O 3.15Å; V105-I107 HydrophobicContact CG1-CG1 4.33Å; I107-F111 HydrophobicContact CG2-CB 4.34Å; I107-F111 HydrophobicContact CG2-CD1 4.16Å; I107-F111 HydrophobicContact CG2-CG 4.35Å; I107-I158 HydrophobicContact CD1-CD1 3.87Å; I107-I158 HydrophobicContact CD1-CG1 4.26Å; I107-I158 HydrophobicContact CG1-CD1 4.4Å; I107-I158 HydrophobicContact CG1-CG1 4.35Å; I107-I158 HydrophobicContact CG2-CD1 4.4Å
108P91.5Very high84.9Confident0 Ų043.5 Ų43.50%023%0.234CC..  trans-65.4137.4177.9-26.236.1000113.6G88 H90 N110 F111G88-P108 WeakPolarHBondContact O-CB 3.45Å; H90-P108 WeakPolarHBondContact O-CG 3.35Å; P108-N110 WeakPolarHBondContact CB-OD1 3.23Å; P108-N110 PolarHBondContact O-N 2.98Å; P108-N110 VanDerWaalsContact O-N 3.14Å; P108-F111 HydrophobicContact CB-CD2 4.08Å; P108-F111 HydrophobicContact CB-CE2 4.45Å; P108-F111 HydrophobicContact CG-CD2 4.29Å; P108-F111 HydrophobicContact CG-CE2 4.23Å; P108-F111 WeakPolarHBondContact O-CB 3.43Å; P108-F111 PolarHBondContact O-N 2.94Å
109P86.9Confident83.1Confident25 Ų2544.2 Ų44.216%0.16224%0.241CC..G310 helixtrans-57.5-25.8172.8-27.535.1000114.3C49 A85 A86 F111 D112 H124C49-P109 HydrophobicContact CB-CG 4.41Å; A85-P109 HydrophobicContact CB-CG 4.4Å; A86-P109 WeakPolarHBondContact O-CD 3.44Å; P109-F111 PolarHBondContact O-N 3.32Å; P109-D112 WeakPolarHBondContact O-CB 3.44Å; P109-D112 PolarHBondContact O-N 3.23Å; P109-H124 WeakPolarHBondContact CB-NE2 3.49Å
110N86.7Confident81.3Confident8 Ų842.9 Ų42.94%0.04324%0.238CC..G310 helixtrans-63.7-13.6176.567.4-77.9000113.5P108 D112 S113 I121 L147P108-N110 WeakPolarHBondContact CB-OD1 3.23Å; P108-N110 PolarHBondContact O-N 2.98Å; P108-N110 VanDerWaalsContact O-N 3.14Å; N110-D112 PolarHBondContact O-N 2.98Å; N110-S113 WeakPolarHBondContact O-CB 3.39Å; N110-S113 PolarHBondContact O-N 3.44Å; N110-I121 HydrophobicContact CB-CD1 4.44Å; N110-I121 HydrophobicContact CB-CG1 3.73Å; N110-L147 PolarHBondContact ND2-O 3.43Å
111F89.7Confident79.7Confident0 Ų036.6 Ų36.60%020%0.197CC..G310 helixtrans-71.8-18.2172.8-78.8-142.2000112.1L62 P91 I107 P108 P109 S113 F149 Q154 A157L62-F111 HydrophobicContact CD1-CB 4.22Å; L62-F111 HydrophobicContact CD2-CB 3.6Å; P91-F111 HydrophobicContact CG-CE1 3.82Å; P91-F111 HydrophobicContact CG-CZ 3.82Å; I107-F111 HydrophobicContact CG2-CB 4.34Å; I107-F111 HydrophobicContact CG2-CD1 4.16Å; I107-F111 HydrophobicContact CG2-CG 4.35Å; P108-F111 HydrophobicContact CB-CD2 4.08Å; P108-F111 HydrophobicContact CB-CE2 4.45Å; P108-F111 HydrophobicContact CG-CD2 4.29Å; P108-F111 HydrophobicContact CG-CE2 4.23Å; P108-F111 WeakPolarHBondContact O-CB 3.43Å; P108-F111 PolarHBondContact O-N 2.94Å; P109-F111 PolarHBondContact O-N 3.32Å; F111-S113 VanDerWaalsContact C-N 3.25Å; F111-S113 PolarHBondContact O-N 3.39Å; F111-F149 HydrophobicContact CD2-CD2 4.06Å; F111-F149 AromaticContact CE2-CD2 3.61Å; F111-F149 HydrophobicContact CE2-CD2 3.61Å; F111-F149 AromaticContact CE2-CE2 3.8Å; F111-F149 HydrophobicContact CE2-CE2 3.8Å; F111-F149 HydrophobicContact CE2-CG 4.32Å; F111-F149 HydrophobicContact CZ-CD2 4.18Å; F111-F149 HydrophobicContact CZ-CE2 4.46Å; F111-F149 HydrophobicContact CZ-CG 4.48Å; F111-Q154 HydrophobicContact CB-CG 4.29Å; F111-Q154 HydrophobicContact CD1-CB 3.71Å; F111-Q154 HydrophobicContact CD1-CG 3.51Å; F111-Q154 HydrophobicContact CE1-CB 3.93Å; F111-Q154 HydrophobicContact CE1-CG 3.92Å; F111-Q154 HydrophobicContact CG-CG 4.01Å; F111-Q154 PolarHBondContact O-NE2 3.23Å; F111-Q154 PolarHBondContact O-OE1 3.21Å; F111-A157 HydrophobicContact CE1-CB 3.94Å; F111-A157 HydrophobicContact CZ-CB 3.94Å
112D83.9Confident77.7Confident42 Ų4237.3 Ų37.323%0.22520%0.197CC..G310 helixtrans-70.9-21.6172.1-84.1-47.5000113.4S59 R61 L62 P109 N110 T114S59-D112 VanDerWaalsContact CB-OD1 3.25Å; S59-D112 WeakPolarHBondContact CB-OD1 3.48Å; S59-D112 VanDerWaalsContact CB-OD2 3.27Å; S59-D112 WeakPolarHBondContact CB-OD2 3.47Å; S59-D112 PolarHBondContact OG-OD1 3.29Å; S59-D112 PolarHBondContact OG-OD2 3.15Å; R61-D112 PolarHBondContact NH1-O 3.35Å; L62-D112 HydrophobicContact CD1-CB 4.47Å; L62-D112 VanDerWaalsContact CD1-CG 3.49Å; L62-D112 WeakPolarHBondContact CD1-OD2 3.45Å; L62-D112 WeakPolarHBondContact CG-OD1 3.45Å; P109-D112 WeakPolarHBondContact O-CB 3.44Å; P109-D112 PolarHBondContact O-N 3.23Å; N110-D112 PolarHBondContact O-N 2.98Å; D112-T114 PolarHBondContact O-N 3.32Å
113S74.5Confident75.8Confident0 Ų043.1 Ų43.10%023%0.226CC..  trans-65.7128.9177.6-58.60000110.5N110 F111 A120 I121N110-S113 WeakPolarHBondContact O-CB 3.39Å; N110-S113 PolarHBondContact O-N 3.44Å; F111-S113 VanDerWaalsContact C-N 3.25Å; F111-S113 PolarHBondContact O-N 3.39Å; S113-A120 VanDerWaalsContact OG-CB 3.29Å; S113-A120 WeakPolarHBondContact OG-CB 3.48Å; S113-I121 VanDerWaalsContact OG-CG1 3.32Å; S113-I121 WeakPolarHBondContact OG-CG1 3.48Å; S113-I121 PolarHBondContact OG-N 2.94Å
114T66.1Low74.1Confident39 Ų3946.7 Ų46.724%0.23924%0.243CC..  trans-95.5171.1167.971.80000110.4R61 D112 E116 D117R61-T114 VanDerWaalsContact NH1-CG2 3.25Å; D112-T114 PolarHBondContact O-N 3.32Å; T114-E116 PolarHBondContact O-N 3.5Å; T114-E116 PolarHBondContact OG1-N 2.77Å; T114-E116 PolarHBondContact OG1-OE2 2.87Å; T114-E116 VanDerWaalsContact OG1-OE2 3.1Å; T114-D117 PolarHBondContact N-O 3.27Å; T114-D117 CarbonylContact O-C 3.55Å; T114-D117 PolarHBondContact O-N 3.22Å; T114-D117 PolarHBondContact OG1-N 2.87Å
115V60.6Low72.4Confident99 Ų9951.3 Ų51.360%0.627%0.271SS*.SBendtrans-62.5-32.4172.5-1790000110.3K118 T148V115-K118 WeakPolarHBondContact O-CE 3.23Å; V115-T148 HydrophobicContact CG2-CG2 4.44Å
116E58Low71.3Confident172 Ų17252.2 Ų52.280%0.80428%0.276SS*.SBendtrans-81.6-36.4175.2-52.592.5-171.500113.4T114T114-E116 PolarHBondContact O-N 3.5Å; T114-E116 PolarHBondContact OG1-N 2.77Å; T114-E116 PolarHBondContact OG1-OE2 2.87Å; T114-E116 VanDerWaalsContact OG1-OE2 3.1Å
117D63.3Low70.4Confident84 Ų8456.2 Ų56.245%0.44930%0.3SS..  trans-109.675.6-178.7-167.710.3000112.2T114 K119T114-D117 PolarHBondContact N-O 3.27Å; T114-D117 CarbonylContact O-C 3.55Å; T114-D117 PolarHBondContact O-N 3.22Å; T114-D117 PolarHBondContact OG1-N 2.87Å; D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 WeakPolarHBondContact OD1-CB 3.05Å; D117-K119 PolarHBondContact OD1-N 3.32Å
118K61Low69.6Low68 Ų6857.3 Ų57.330%0.29631%0.306SS..THydrogen-bonded Turntrans-74.7-1.1178.4-61.4-176.4-178.6179.80113.6V115V115-K118 WeakPolarHBondContact O-CE 3.23Å
119K55.9Low69.1Low152 Ų15262.1 Ų62.166%0.66133%0.332SS*.Hα-helixtrans-72.6-28.2-173-68.8-177.6177.2178.90113.3D117 I121 V122 N123D117-K119 PolarHBondContact O-N 3.24Å; D117-K119 WeakPolarHBondContact OD1-CB 3.05Å; D117-K119 PolarHBondContact OD1-N 3.32Å; K119-I121 VanDerWaalsContact C-N 3.34Å; K119-I121 PolarHBondContact O-N 2.85Å; K119-V122 PolarHBondContact O-N 2.85Å; K119-V122 VanDerWaalsContact O-N 3.08Å; K119-N123 PolarHBondContact O-N 2.82Å
120A58Low68.6Low27 Ų2764.3 Ų64.322%0.22336%0.359CS..Hα-helixtrans-64-33.6-178.500000113.4S113 H124S113-A120 VanDerWaalsContact OG-CB 3.29Å; S113-A120 WeakPolarHBondContact OG-CB 3.48Å; A120-H124 PolarHBondContact O-CD2 2.86Å
121I59.3Low68.5Low5 Ų571.6 Ų71.63%0.02639%0.39CS..Hα-helixtrans-68.9-36.5171.7-75152.3000112N110 S113 K119 N123 H124 W135 R144 L147 T148N110-I121 HydrophobicContact CB-CD1 4.44Å; N110-I121 HydrophobicContact CB-CG1 3.73Å; S113-I121 VanDerWaalsContact OG-CG1 3.32Å; S113-I121 WeakPolarHBondContact OG-CG1 3.48Å; S113-I121 PolarHBondContact OG-N 2.94Å; K119-I121 VanDerWaalsContact C-N 3.34Å; K119-I121 PolarHBondContact O-N 2.85Å; I121-N123 VanDerWaalsContact C-N 3.27Å; I121-N123 PolarHBondContact O-N 2.8Å; I121-H124 PolarHBondContact O-N 3.08Å; I121-W135 HydrophobicContact CG2-CH2 3.66Å; I121-W135 HydrophobicContact CG2-CZ2 4.16Å; I121-W135 HydrophobicContact CG2-CZ3 3.91Å; I121-R144 HydrophobicContact CG2-CG 4.26Å; I121-L147 HydrophobicContact CD1-CB 3.89Å; I121-L147 HydrophobicContact CG1-CB 4.33Å; I121-L147 HydrophobicContact CG2-CD1 4.25Å; I121-T148 VanDerWaalsContact CD1-OG1 3.32Å; I121-T148 WeakPolarHBondContact CD1-OG1 3.48Å
122V54.1Low68.3Low54 Ų5478.3 Ų78.333%0.32742%0.422SS..Hα-helixtrans-69.2-27.1-176.7179.90000111.8K119 H124 W135K119-V122 PolarHBondContact O-N 2.85Å; K119-V122 VanDerWaalsContact O-N 3.08Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3.42Å; V122-W135 HydrophobicContact CG1-CG 4.41Å; V122-W135 HydrophobicContact CG2-CG 4.41Å
123N55.1Low68.3Low127 Ų12777.1 Ų77.168%0.67942%0.416SS*.THydrogen-bonded Turntrans-76.1-10.3-179.7-68.3-15.2000114.1K119 I121K119-N123 PolarHBondContact O-N 2.82Å; I121-N123 VanDerWaalsContact C-N 3.27Å; I121-N123 PolarHBondContact O-N 2.8Å
124H63.2Low68.9Low77 Ų7781.8 Ų81.836%0.35644%0.441SS..SBendtrans-96121.9174.2-70-65.8000110.5P109 A120 I121 V122 V126P109-H124 WeakPolarHBondContact CB-NE2 3.49Å; A120-H124 PolarHBondContact O-CD2 2.86Å; I121-H124 PolarHBondContact O-N 3.08Å; V122-H124 VanDerWaalsContact C-N 3.27Å; V122-H124 PolarHBondContact O-N 3.42Å; H124-V126 PolarHBondContact O-N 3.11Å
125V61.5Low69.9Low98 Ų9881.1 Ų81.159%0.59443%0.434SS*.  trans-68.698.9176.8-174.40000109.1V127 E132V125-V127 HydrophobicContact CG1-CG2 3.74Å; V125-E132 HydrophobicContact CG1-CG 3.69Å; V125-E132 WeakPolarHBondContact CG1-OE1 3.28Å
126V74.5Confident71.2Confident19 Ų1983.3 Ų83.312%0.11544%0.438CS..  trans-89.6109.2172.9-179.40000108.2F89 H124 I128 E132 V133 W135F89-V126 HydrophobicContact CE1-CG2 4.2Å; F89-V126 HydrophobicContact CZ-CG1 4.22Å; F89-V126 HydrophobicContact CZ-CG2 3.87Å; H124-V126 PolarHBondContact O-N 3.11Å; V126-I128 HydrophobicContact CG1-CD1 4.4Å; V126-I128 HydrophobicContact CG1-CG1 4.15Å; V126-E132 WeakPolarHBondContact O-CA 3.35Å; V126-V133 HydrophobicContact CB-CB 4.45Å; V126-V133 HydrophobicContact CB-CG2 4.07Å; V126-V133 HydrophobicContact CG1-CG2 3.78Å; V126-V133 WeakPolarHBondContact O-CG2 3.36Å; V126-V133 PolarHBondContact O-N 3.28Å; V126-W135 HydrophobicContact CB-CH2 4.34Å; V126-W135 HydrophobicContact CB-CZ2 3.97Å; V126-W135 HydrophobicContact CG2-CH2 3.95Å; V126-W135 HydrophobicContact CG2-CZ2 3.67Å
127V78.4Confident72.8Confident84 Ų8476.8 Ų76.851%0.50941%0.411SS..EExtended strand (participates in β ladder)trans-99.5120.1177.8-173.90000110.1V125 K131 E132V125-V127 HydrophobicContact CG1-CG2 3.74Å; V127-K131 CarbonylContact C-O 3.54Å; V127-K131 WeakPolarHBondContact CA-O 3.2Å; V127-E132 HydrophobicContact CG2-CG 4.35Å
128I79.6Confident74.2Confident23 Ų2377.2 Ų77.212%0.11842%0.421CS..EExtended strand (participates in β ladder)trans-117.6122.7175.1-58.5-179.3000108.6V126 G130 K131 V133 L264 L267 M268V126-I128 HydrophobicContact CG1-CD1 4.4Å; V126-I128 HydrophobicContact CG1-CG1 4.15Å; I128-G130 PolarHBondContact O-N 3.39Å; I128-K131 PolarHBondContact N-O 3.25Å; I128-K131 PolarHBondContact O-N 3.48Å; I128-K131 VanDerWaalsContact O-O 3.12Å; I128-V133 HydrophobicContact CB-CG2 4.49Å; I128-V133 HydrophobicContact CD1-CG2 3.49Å; I128-V133 VanDerWaalsContact CD1-CG2 3.49Å; I128-V133 HydrophobicContact CG1-CG2 3.78Å; I128-L264 HydrophobicContact CD1-CD2 3.45Å; I128-L264 VanDerWaalsContact CD1-CD2 3.45Å; I128-L264 HydrophobicContact CG1-CD2 4.47Å; I128-L267 HydrophobicContact CD1-CB 4.02Å; I128-L267 HydrophobicContact CD1-CD1 3.75Å; I128-L267 HydrophobicContact CG2-CB 4.27Å; I128-M268 HydrophobicContact CG2-CB 4.34Å; I128-M268 HydrophobicContact CG2-CG 3.43Å; I128-M268 VanDerWaalsContact CG2-CG 3.43Å
129N80Confident75.6Confident101 Ų10177.5 Ų77.554%0.5442%0.423SS..THydrogen-bonded Turntrans52.937.9-176.8-67.2-16.8000113.5K131 M268N129-K131 PolarHBondContact O-N 2.92Å; N129-M268 WeakPolarHBondContact ND2-CA 3.34Å; N129-M268 PolarHBondContact ND2-O 2.83Å
130G77.4Confident77.2Confident71 Ų7170.2 Ų70.273%0.73239%0.391SS*.THydrogen-bonded Turntrans759.4-179.700000114.7I128I128-G130 PolarHBondContact O-N 3.39Å
131K83.6Confident78.7Confident161 Ų16170.9 Ų70.970%0.739%0.392SS*.EExtended strand (participates in β ladder)trans-119.9137.6175.6-62.8-174.4178.7-173.30110.3V127 I128 N129V127-K131 CarbonylContact C-O 3.54Å; V127-K131 WeakPolarHBondContact CA-O 3.2Å; I128-K131 PolarHBondContact N-O 3.25Å; I128-K131 PolarHBondContact O-N 3.48Å; I128-K131 VanDerWaalsContact O-O 3.12Å; N129-K131 PolarHBondContact O-N 2.92Å
132E85.3Confident80.3Confident141 Ų14172.2 Ų72.266%0.65940%0.404SS*.EExtended strand (participates in β ladder)trans-64142.9170.9-62.8-175.5179.200110V125 V126 V127 D134V125-E132 HydrophobicContact CG1-CG 3.69Å; V125-E132 WeakPolarHBondContact CG1-OE1 3.28Å; V126-E132 WeakPolarHBondContact O-CA 3.35Å; V127-E132 HydrophobicContact CG2-CG 4.35Å; E132-D134 PolarHBondContact O-N 3.25Å
133V85.3Confident82.1Confident17 Ų1769.8 Ų69.810%0.10339%0.389CS..  trans-68122.2174.2172.30000108.9V126 I128 W135 L143V126-V133 HydrophobicContact CB-CB 4.45Å; V126-V133 HydrophobicContact CB-CG2 4.07Å; V126-V133 HydrophobicContact CG1-CG2 3.78Å; V126-V133 WeakPolarHBondContact O-CG2 3.36Å; V126-V133 PolarHBondContact O-N 3.28Å; I128-V133 HydrophobicContact CB-CG2 4.49Å; I128-V133 HydrophobicContact CD1-CG2 3.49Å; I128-V133 VanDerWaalsContact CD1-CG2 3.49Å; I128-V133 HydrophobicContact CG1-CG2 3.78Å; V133-W135 HydrophobicContact CB-CZ2 4.5Å; V133-W135 HydrophobicContact CG1-CD2 4.08Å; V133-W135 HydrophobicContact CG1-CE3 3.97Å; V133-W135 HydrophobicContact CG1-CH2 4.44Å; V133-W135 HydrophobicContact CG1-CZ3 4.16Å; V133-W135 PolarHBondContact O-N 2.97Å; V133-W135 VanDerWaalsContact O-N 3.13Å; V133-L143 HydrophobicContact CG1-CD2 4.24Å; V133-L143 HydrophobicContact CG2-CD2 4.3Å
134D87.4Confident83.7Confident98 Ų9865.5 Ų65.552%0.52436%0.364SS..  trans-72.1101.3166.3176.42.5000109.2E132 E136 S137 G140E132-D134 PolarHBondContact O-N 3.25Å; D134-E136 PolarHBondContact O-N 3.45Å; D134-E136 PolarHBondContact OD1-N 3.46Å; D134-S137 WeakPolarHBondContact O-CB 3.25Å; D134-S137 PolarHBondContact O-N 2.92Å; D134-S137 PolarHBondContact O-OG 3.38Å; D134-S137 PolarHBondContact OD1-N 3.06Å; D134-G140 WeakPolarHBondContact O-CA 3.46Å
135W87.3Confident85.1Confident25 Ų2566.9 Ų66.910%0.09537%0.37CS..THydrogen-bonded Turntrans-67.4-18.8-178.3-66.3115.6000114.3I121 V122 V126 V133 G140 V141 L143 R144 L147I121-W135 HydrophobicContact CG2-CH2 3.66Å; I121-W135 HydrophobicContact CG2-CZ2 4.16Å; I121-W135 HydrophobicContact CG2-CZ3 3.91Å; V122-W135 HydrophobicContact CG1-CG 4.41Å; V122-W135 HydrophobicContact CG2-CG 4.41Å; V126-W135 HydrophobicContact CB-CH2 4.34Å; V126-W135 HydrophobicContact CB-CZ2 3.97Å; V126-W135 HydrophobicContact CG2-CH2 3.95Å; V126-W135 HydrophobicContact CG2-CZ2 3.67Å; V133-W135 HydrophobicContact CB-CZ2 4.5Å; V133-W135 HydrophobicContact CG1-CD2 4.08Å; V133-W135 HydrophobicContact CG1-CE3 3.97Å; V133-W135 HydrophobicContact CG1-CH2 4.44Å; V133-W135 HydrophobicContact CG1-CZ3 4.16Å; V133-W135 PolarHBondContact O-N 2.97Å; V133-W135 VanDerWaalsContact O-N 3.13Å; W135-G140 CarbonylContact O-C 3.47Å; W135-V141 PolarHBondContact O-N 3Å; W135-L143 HydrophobicContact CH2-CD2 4.32Å; W135-L143 HydrophobicContact CZ3-CB 4.34Å; W135-L143 HydrophobicContact CZ3-CD2 4.15Å; W135-L143 HydrophobicContact CZ3-CG 4.2Å; W135-R144 HydrophobicContact CE3-CB 4.17Å; W135-R144 HydrophobicContact CZ3-CB 4.2Å; W135-L147 HydrophobicContact CH2-CD1 4.31Å
136E87.9Confident86.6Confident146 Ų14662.3 Ų62.368%0.68234%0.343SS*.THydrogen-bonded Turntrans-90.5-15.7178.4-59.3-53.5126.600112D134 R144D134-E136 PolarHBondContact O-N 3.45Å; D134-E136 PolarHBondContact OD1-N 3.46Å; E136-R144 IonicContact OE1-NH1 2.83Å
137S90.5Very high87.4Confident34 Ų3461.5 Ų61.524%0.23834%0.338CS..SBendtrans-63.6156.717176.90000112.1D134 H139 G140 V141D134-S137 WeakPolarHBondContact O-CB 3.25Å; D134-S137 PolarHBondContact O-N 2.92Å; D134-S137 PolarHBondContact O-OG 3.38Å; D134-S137 PolarHBondContact OD1-N 3.06Å; S137-H139 PolarHBondContact O-N 2.9Å; S137-H139 VanDerWaalsContact O-N 3.16Å; S137-G140 WeakPolarHBondContact O-CA 3.36Å; S137-G140 PolarHBondContact O-N 3.36Å; S137-G140 PolarHBondContact OG-N 2.82Å; S137-V141 WeakPolarHBondContact O-CG2 3.37Å; S137-V141 PolarHBondContact O-N 3.06Å
138S92.2Very high88Confident94 Ų9457.8 Ų57.866%0.65732%0.316SS*.Hα-helixtrans-54.3-37176.157.90000113.3A142S138-A142 WeakPolarHBondContact O-CB 3.31Å; S138-A142 PolarHBondContact O-N 3.12Å
139H90.2Very high88.6Confident73 Ų7356.9 Ų56.934%0.33831%0.311SS..Hα-helixtrans-76.6-34.2177.2-67.177.1000112.2S137 L143 I263 T266 L267S137-H139 PolarHBondContact O-N 2.9Å; S137-H139 VanDerWaalsContact O-N 3.16Å; H139-L143 VanDerWaalsContact O-CB 3.25Å; H139-L143 WeakPolarHBondContact O-CB 3.5Å; H139-L143 PolarHBondContact O-N 2.93Å; H139-I263 HydrophobicContact CB-CG2 4.49Å; H139-T266 WeakPolarHBondContact NE2-CG2 3.45Å; H139-L267 HydrophobicContact CB-CD1 4.41Å; H139-L267 HydrophobicContact CB-CD2 3.61Å; H139-L267 HydrophobicContact CB-CG 4.17Å
140G89.9Confident89.3Confident0 Ų052.9 Ų52.90%029%0.291CS..Hα-helixtrans-65-45.6174.600000112.3D134 W135 S137 L143 R144D134-G140 WeakPolarHBondContact O-CA 3.46Å; W135-G140 CarbonylContact O-C 3.47Å; S137-G140 WeakPolarHBondContact O-CA 3.36Å; S137-G140 PolarHBondContact O-N 3.36Å; S137-G140 PolarHBondContact OG-N 2.82Å; G140-L143 PolarHBondContact O-N 2.96Å; G140-R144 WeakPolarHBondContact O-CB 3.19Å; G140-R144 PolarHBondContact O-N 3.48Å
141V90.7Very high90.2Very high41 Ų4153 Ų5325%0.24828%0.278CS..Hα-helixtrans-60.2-48.2174.8175.40000110.7W135 S137 L143 R144 E145W135-V141 PolarHBondContact O-N 3Å; S137-V141 WeakPolarHBondContact O-CG2 3.37Å; S137-V141 PolarHBondContact O-N 3.06Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 PolarHBondContact O-N 3.22Å; V141-R144 WeakPolarHBondContact O-CB 3.42Å; V141-R144 PolarHBondContact O-N 3.5Å; V141-E145 WeakPolarHBondContact O-CG 3.42Å; V141-E145 PolarHBondContact O-N 3.17Å
142A92.3Very high90.9Very high33 Ų3347.9 Ų47.927%0.27326%0.257SS..Hα-helixtrans-62.2-39.3177.200000112.1S138 E145 A146 I263S138-A142 WeakPolarHBondContact O-CB 3.31Å; S138-A142 PolarHBondContact O-N 3.12Å; A142-E145 PolarHBondContact O-N 3.2Å; A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 3.43Å; A142-I263 VanDerWaalsContact C-CD1 3.48Å; A142-I263 HydrophobicContact CB-CD1 3.78Å; A142-I263 HydrophobicContact CB-CG1 4.27Å; A142-I263 WeakPolarHBondContact O-CD1 3.32Å
143L91.6Very high91.5Very high3 Ų341.1 Ų41.12%0.01623%0.225CC..Hα-helixtrans-66-43.7177.9-17659.7000110.9V133 W135 H139 G140 V141 E145 A146 L147 R260 I263 L264 L267V133-L143 HydrophobicContact CG1-CD2 4.24Å; V133-L143 HydrophobicContact CG2-CD2 4.3Å; W135-L143 HydrophobicContact CH2-CD2 4.32Å; W135-L143 HydrophobicContact CZ3-CB 4.34Å; W135-L143 HydrophobicContact CZ3-CD2 4.15Å; W135-L143 HydrophobicContact CZ3-CG 4.2Å; H139-L143 VanDerWaalsContact O-CB 3.25Å; H139-L143 WeakPolarHBondContact O-CB 3.5Å; H139-L143 PolarHBondContact O-N 2.93Å; G140-L143 PolarHBondContact O-N 2.96Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 PolarHBondContact O-N 3.22Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.1Å; L143-A146 PolarHBondContact O-N 3.48Å; L143-L147 HydrophobicContact CD1-CD1 4.25Å; L143-L147 HydrophobicContact CD1-CG 4.36Å; L143-L147 HydrophobicContact CG-CD1 4Å; L143-L147 HydrophobicContact CG-CG 4.49Å; L143-L147 VanDerWaalsContact O-CG 3.28Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 2.77Å; L143-R260 HydrophobicContact CD1-CG 3.75Å; L143-I263 HydrophobicContact CB-CG2 3.94Å; L143-I263 HydrophobicContact CD1-CG2 4.26Å; L143-L264 HydrophobicContact CD1-CD2 4.35Å; L143-L264 HydrophobicContact CD1-CG 4.45Å; L143-L264 HydrophobicContact CD2-CD2 4.44Å; L143-L267 HydrophobicContact CD2-CD1 4.09Å
144R89.8Confident92Very high37 Ų3740.3 Ų40.314%0.1422%0.221CC..Hα-helixtrans-57.4-47175.8-176.3173.165.9-166-3.6110.9I121 W135 E136 G140 V141 A146 L147 T148I121-R144 HydrophobicContact CG2-CG 4.26Å; W135-R144 HydrophobicContact CE3-CB 4.17Å; W135-R144 HydrophobicContact CZ3-CB 4.2Å; E136-R144 IonicContact OE1-NH1 2.83Å; G140-R144 WeakPolarHBondContact O-CB 3.19Å; G140-R144 PolarHBondContact O-N 3.48Å; V141-R144 WeakPolarHBondContact O-CB 3.42Å; V141-R144 PolarHBondContact O-N 3.5Å; R144-A146 VanDerWaalsContact C-N 3.32Å; R144-A146 PolarHBondContact O-N 3.28Å; R144-L147 PolarHBondContact O-N 3.38Å; R144-L147 VanDerWaalsContact O-N 3.07Å; R144-T148 PolarHBondContact O-N 3Å; R144-T148 PolarHBondContact O-OG1 3.2Å; R144-T148 VanDerWaalsContact O-OG1 3.09Å
145E91.3Very high92.6Very high105 Ų10538 Ų3849%0.49121%0.206SC..Hα-helixtrans-61.9-37.3176.4-72.1179.317200113.2V141 A142 L143 L147V141-E145 WeakPolarHBondContact O-CG 3.42Å; V141-E145 PolarHBondContact O-N 3.17Å; A142-E145 PolarHBondContact O-N 3.2Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.1Å; E145-L147 PolarHBondContact O-N 3.44Å
146A92.8Very high93.1Very high3 Ų336.9 Ų36.93%0.02520%0.201CC..Hα-helixtrans-73-15.2175.800000113.7A142 L143 R144 R260 I263A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 3.43Å; L143-A146 PolarHBondContact O-N 3.48Å; R144-A146 VanDerWaalsContact C-N 3.32Å; R144-A146 PolarHBondContact O-N 3.28Å; A146-R260 HydrophobicContact CB-CB 3.92Å; A146-I263 HydrophobicContact CB-CD1 4.08Å
147L91.3Very high93.6Very high1 Ų129.9 Ų29.91%0.00517%0.169CC..Hα-helixtrans-101.5-17179.1-69.9176.8000113.7F89 N110 I121 W135 L143 R144 E145 F149 R260F89-L147 HydrophobicContact CB-CD2 3.86Å; F89-L147 HydrophobicContact CD1-CD1 4.04Å; F89-L147 HydrophobicContact CD1-CD2 3.53Å; F89-L147 HydrophobicContact CD1-CG 4.42Å; F89-L147 HydrophobicContact CE1-CD1 3.86Å; F89-L147 HydrophobicContact CE1-CD2 4.19Å; F89-L147 HydrophobicContact CG-CD2 3.76Å; N110-L147 PolarHBondContact ND2-O 3.43Å; I121-L147 HydrophobicContact CD1-CB 3.89Å; I121-L147 HydrophobicContact CG1-CB 4.33Å; I121-L147 HydrophobicContact CG2-CD1 4.25Å; W135-L147 HydrophobicContact CH2-CD1 4.31Å; L143-L147 HydrophobicContact CD1-CD1 4.25Å; L143-L147 HydrophobicContact CD1-CG 4.36Å; L143-L147 HydrophobicContact CG-CD1 4Å; L143-L147 HydrophobicContact CG-CG 4.49Å; L143-L147 VanDerWaalsContact O-CG 3.28Å; L143-L147 WeakPolarHBondContact O-CG 3.48Å; L143-L147 PolarHBondContact O-N 2.77Å; R144-L147 PolarHBondContact O-N 3.38Å; R144-L147 VanDerWaalsContact O-N 3.07Å; E145-L147 PolarHBondContact O-N 3.44Å; L147-F149 VanDerWaalsContact O-CD2 3.22Å; L147-F149 WeakPolarHBondContact O-CD2 3.21Å; L147-F149 WeakPolarHBondContact O-CE2 3.22Å; L147-R260 HydrophobicContact CD2-CG 4.1Å
148T91.3Very high94Very high7 Ų728.3 Ų28.34%0.04316%0.158CC..  trans-81.1125.4171.3-53.90000108.8V115 I121 R144 K256V115-T148 HydrophobicContact CG2-CG2 4.44Å; I121-T148 VanDerWaalsContact CD1-OG1 3.32Å; I121-T148 WeakPolarHBondContact CD1-OG1 3.48Å; R144-T148 PolarHBondContact O-N 3Å; R144-T148 PolarHBondContact O-OG1 3.2Å; R144-T148 VanDerWaalsContact O-OG1 3.09Å; T148-K256 WeakPolarHBondContact O-CD 3.34Å; T148-K256 WeakPolarHBondContact O-CE 3.49Å; T148-K256 PolarHBondContact O-NZ 2.78Å
149F92.9Very high94.3Very high4 Ų423.8 Ų23.82%0.01813%0.126CC..  trans-115.3143.9179.8-68.6-89.1000111.4F111 L147 A153 Q154 F253 K256F111-F149 HydrophobicContact CD2-CD2 4.06Å; F111-F149 AromaticContact CE2-CD2 3.61Å; F111-F149 HydrophobicContact CE2-CD2 3.61Å; F111-F149 AromaticContact CE2-CE2 3.8Å; F111-F149 HydrophobicContact CE2-CE2 3.8Å; F111-F149 HydrophobicContact CE2-CG 4.32Å; F111-F149 HydrophobicContact CZ-CD2 4.18Å; F111-F149 HydrophobicContact CZ-CE2 4.46Å; F111-F149 HydrophobicContact CZ-CG 4.48Å; L147-F149 VanDerWaalsContact O-CD2 3.22Å; L147-F149 WeakPolarHBondContact O-CD2 3.21Å; L147-F149 WeakPolarHBondContact O-CE2 3.22Å; F149-A153 HydrophobicContact CB-CB 4.15Å; F149-A153 HydrophobicContact CD1-CB 4.05Å; F149-Q154 HydrophobicContact CB-CG 3.82Å; F149-Q154 PolarHBondContact O-NE2 2.99Å; F149-F253 HydrophobicContact CD1-CD2 4.06Å; F149-F253 AromaticContact CE1-CD2 3.6Å; F149-F253 HydrophobicContact CE1-CD2 3.6Å; F149-F253 HydrophobicContact CE1-CE2 4.25Å; F149-F253 HydrophobicContact CE1-CG 4.48Å; F149-F253 HydrophobicContact CZ-CD2 4.26Å; F149-F253 HydrophobicContact CZ-CE2 4.48Å; F149-K256 HydrophobicContact CD1-CB 4.17Å; F149-K256 HydrophobicContact CD1-CD 3.73Å; F149-K256 HydrophobicContact CE1-CB 3.5Å; F149-K256 VanDerWaalsContact CE1-CB 3.5Å; F149-K256 HydrophobicContact CE1-CD 3.94Å; F149-K256 HydrophobicContact CE1-CG 4.31Å; F149-K256 HydrophobicContact CG-CD 4.32Å; F149-K256 HydrophobicContact CZ-CB 4.04Å
150S95.1Very high94.7Very high17 Ų1721.3 Ų21.312%0.11911%0.114CC..  trans-63.4157.8169.4670000111.7E152 A153 Q154 E252S150-E152 PolarHBondContact O-N 3.43Å; S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 VanDerWaalsContact O-N 3.11Å; S150-A153 WeakPolarHBondContact OG-CB 3.49Å; S150-A153 PolarHBondContact OG-N 3.07Å; S150-A153 VanDerWaalsContact OG-N 3.15Å; S150-Q154 VanDerWaalsContact O-CG 3.27Å; S150-Q154 WeakPolarHBondContact O-CG 3.36Å; S150-Q154 PolarHBondContact O-N 3.22Å; S150-E252 WeakPolarHBondContact CB-OE1 3.32Å; S150-E252 WeakPolarHBondContact CB-OE2 3.34Å; S150-E252 PolarHBondContact N-OE1 3.47Å; S150-E252 PolarHBondContact OG-OE1 2.94Å; S150-E252 PolarHBondContact OG-OE2 3.33Å
151P95.4Very high95.1Very high73 Ų7322.3 Ų22.347%0.47412%0.119SC..Hα-helixtrans-52.4-38.9174.6-2736.1000113.4Q154 K155P151-Q154 WeakPolarHBondContact O-CB 3.48Å; P151-Q154 PolarHBondContact O-N 2.93Å; P151-K155 WeakPolarHBondContact O-CG 2.92Å; P151-K155 PolarHBondContact O-N 3.42Å
152E97.7Very high95.5Very high53 Ų5320.3 Ų20.325%0.24811%0.107CC..Hα-helixtrans-66.9-43.1178.1-64.387.1160.400112.1S150 Q154 K155 F156 D245 R248S150-E152 PolarHBondContact O-N 3.43Å; E152-Q154 VanDerWaalsContact C-N 3.29Å; E152-Q154 PolarHBondContact O-N 3.37Å; E152-K155 PolarHBondContact O-N 3.26Å; E152-F156 WeakPolarHBondContact O-CB 3.5Å; E152-F156 PolarHBondContact O-N 3.01Å; E152-D245 HydrophobicContact CG-CB 3.9Å; E152-R248 IonicContact OE1-CZ 3.77Å; E152-R248 IonicContact OE1-NH2 3.44Å; E152-R248 PolarHBondContact OE1-NH2 3.05Å
153A97.9Very high95.7Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-65.2-36.217600000111.7F149 S150 A157 G249 E252 F253F149-A153 HydrophobicContact CB-CB 4.15Å; F149-A153 HydrophobicContact CD1-CB 4.05Å; S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 VanDerWaalsContact O-N 3.11Å; S150-A153 WeakPolarHBondContact OG-CB 3.49Å; S150-A153 PolarHBondContact OG-N 3.07Å; S150-A153 VanDerWaalsContact OG-N 3.15Å; A153-A157 VanDerWaalsContact O-CB 3.25Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 2.95Å; A153-G249 WeakPolarHBondContact CA-O 3.28Å; A153-G249 WeakPolarHBondContact CB-O 2.74Å; A153-E252 HydrophobicContact CB-CB 4.19Å; A153-E252 HydrophobicContact CB-CG 4.2Å; A153-F253 HydrophobicContact CB-CB 4.28Å
154Q97.3Very high96Very high0 Ų020.9 Ų20.90%010%0.103CC..Hα-helixtrans-64.1-49.8174-64.7176.81500111.4F111 F149 S150 P151 E152 F156 A157 I158F111-Q154 HydrophobicContact CB-CG 4.29Å; F111-Q154 HydrophobicContact CD1-CB 3.71Å; F111-Q154 HydrophobicContact CD1-CG 3.51Å; F111-Q154 HydrophobicContact CE1-CB 3.93Å; F111-Q154 HydrophobicContact CE1-CG 3.92Å; F111-Q154 HydrophobicContact CG-CG 4.01Å; F111-Q154 PolarHBondContact O-NE2 3.23Å; F111-Q154 PolarHBondContact O-OE1 3.21Å; F149-Q154 HydrophobicContact CB-CG 3.82Å; F149-Q154 PolarHBondContact O-NE2 2.99Å; S150-Q154 VanDerWaalsContact O-CG 3.27Å; S150-Q154 WeakPolarHBondContact O-CG 3.36Å; S150-Q154 PolarHBondContact O-N 3.22Å; P151-Q154 WeakPolarHBondContact O-CB 3.48Å; P151-Q154 PolarHBondContact O-N 2.93Å; E152-Q154 VanDerWaalsContact C-N 3.29Å; E152-Q154 PolarHBondContact O-N 3.37Å; Q154-F156 PolarHBondContact O-N 3.36Å; Q154-A157 PolarHBondContact O-N 3.38Å; Q154-I158 WeakPolarHBondContact O-CG1 3.46Å; Q154-I158 PolarHBondContact O-N 3.17Å
155K98.4Very high96.4Very high50 Ų5019.1 Ų19.122%0.21710%0.096CC..Hα-helixtrans-57.3-48.1176.6-77.4-166.8173.8-1610111.5V65 D68 V69 D72 P151 E152 A157 I158 A159 Y246V65-K155 HydrophobicContact CG1-CG 3.95Å; D68-K155 WeakPolarHBondContact OD2-CE 3.28Å; D68-K155 IonicContact OD2-NZ 3.92Å; D68-K155 PolarHBondContact OD2-NZ 3.34Å; V69-K155 HydrophobicContact CG2-CB 3.97Å; V69-K155 HydrophobicContact CG2-CG 3.88Å; D72-K155 IonicContact OD2-NZ 2.87Å; P151-K155 WeakPolarHBondContact O-CG 2.92Å; P151-K155 PolarHBondContact O-N 3.42Å; E152-K155 PolarHBondContact O-N 3.26Å; K155-A157 PolarHBondContact O-N 3.2Å; K155-I158 PolarHBondContact O-N 3.47Å; K155-A159 WeakPolarHBondContact O-CB 3.43Å; K155-A159 PolarHBondContact O-N 3.04Å; K155-Y246 HydrophobicContact CB-CD1 4.45Å; K155-Y246 HydrophobicContact CB-CE1 3.74Å; K155-Y246 WeakPolarHBondContact O-CE1 3.1Å
156F98.7Very high96.6Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-58.1-48.1176173.2-90.7000112.7E152 Q154 I158 A159 R160 D236 A239 A240 Y246 F253 Y254 I302E152-F156 WeakPolarHBondContact O-CB 3.5Å; E152-F156 PolarHBondContact O-N 3.01Å; Q154-F156 PolarHBondContact O-N 3.36Å; F156-I158 VanDerWaalsContact C-N 3.25Å; F156-I158 PolarHBondContact O-N 2.82Å; F156-A159 PolarHBondContact O-N 3.47Å; F156-R160 WeakPolarHBondContact O-CG 3.36Å; F156-R160 PolarHBondContact O-N 3.29Å; F156-D236 HydrophobicContact CZ-CB 4.25Å; F156-A239 HydrophobicContact CD2-CB 4.02Å; F156-A239 HydrophobicContact CE2-CB 3.8Å; F156-A240 HydrophobicContact CE2-CB 4.02Å; F156-Y246 HydrophobicContact CB-CD1 4.31Å; F156-Y246 VanDerWaalsContact CD2-O 3.31Å; F156-Y246 WeakPolarHBondContact CD2-O 3.5Å; F156-F253 HydrophobicContact CD1-CB 4.07Å; F156-F253 AromaticContact CD1-CD1 3.99Å; F156-F253 HydrophobicContact CD1-CD1 3.99Å; F156-F253 HydrophobicContact CD1-CG 4.19Å; F156-F253 AromaticContact CE1-CD1 3.83Å; F156-F253 HydrophobicContact CE1-CD1 3.83Å; F156-F253 HydrophobicContact CE1-CE1 4.47Å; F156-F253 HydrophobicContact CE1-CG 4.47Å; F156-Y254 HydrophobicContact CE1-CD2 4.49Å; F156-Y254 AromaticContact CE1-CE2 3.9Å; F156-Y254 HydrophobicContact CE1-CE2 3.9Å; F156-Y254 HydrophobicContact CZ-CE2 4.1Å; F156-I302 HydrophobicContact CE1-CD1 4.07Å; F156-I302 HydrophobicContact CE2-CD1 3.84Å; F156-I302 HydrophobicContact CZ-CD1 3.34Å; F156-I302 HydrophobicContact CZ-CG1 4.45Å
157A98.3Very high96.7Very high0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-62.6-33.6-177.200000112.6P91 F111 A153 Q154 K155 R160 F253P91-A157 HydrophobicContact CG-CB 3.87Å; F111-A157 HydrophobicContact CE1-CB 3.94Å; F111-A157 HydrophobicContact CZ-CB 3.94Å; A153-A157 VanDerWaalsContact O-CB 3.25Å; A153-A157 WeakPolarHBondContact O-CB 3.38Å; A153-A157 PolarHBondContact O-N 2.95Å; Q154-A157 PolarHBondContact O-N 3.38Å; K155-A157 PolarHBondContact O-N 3.2Å; A157-R160 WeakPolarHBondContact O-CG 3.35Å; A157-F253 HydrophobicContact CB-CD2 3.57Å; A157-F253 HydrophobicContact CB-CE1 4.41Å; A157-F253 HydrophobicContact CB-CE2 3.39Å; A157-F253 HydrophobicContact CB-CG 4.16Å; A157-F253 HydrophobicContact CB-CZ 3.82Å
158I98.6Very high96.9Very high0 Ų020.4 Ų20.40%011%0.107CC..Hα-helixtrans-76.8-42.9174.6-64.7164.8000110.5V65 F66 V69 P91 I107 Q154 K155 F156 R160 E161 I162V65-I158 HydrophobicContact CG1-CD1 3.81Å; F66-I158 HydrophobicContact CD2-CG2 3.87Å; V69-I158 HydrophobicContact CB-CG2 4.11Å; V69-I158 HydrophobicContact CG1-CB 4.42Å; V69-I158 HydrophobicContact CG1-CG2 3.99Å; V69-I158 HydrophobicContact CG2-CB 4.29Å; V69-I158 HydrophobicContact CG2-CG2 4.22Å; P91-I158 HydrophobicContact CG-CG1 4.26Å; I107-I158 HydrophobicContact CD1-CD1 3.87Å; I107-I158 HydrophobicContact CD1-CG1 4.26Å; I107-I158 HydrophobicContact CG1-CD1 4.4Å; I107-I158 HydrophobicContact CG1-CG1 4.35Å; I107-I158 HydrophobicContact CG2-CD1 4.4Å; Q154-I158 WeakPolarHBondContact O-CG1 3.46Å; Q154-I158 PolarHBondContact O-N 3.17Å; K155-I158 PolarHBondContact O-N 3.47Å; F156-I158 VanDerWaalsContact C-N 3.25Å; F156-I158 PolarHBondContact O-N 2.82Å; I158-R160 PolarHBondContact O-N 3.2Å; I158-E161 WeakPolarHBondContact O-CB 3.31Å; I158-E161 PolarHBondContact O-N 3.16Å; I158-E161 VanDerWaalsContact O-N 3.14Å; I158-I162 HydrophobicContact CG2-CD1 3.79Å; I158-I162 PolarHBondContact O-N 3.4Å; I158-I162 VanDerWaalsContact O-N 3.09Å
159A98.8Very high97.1Very high0 Ų020.1 Ų20.10%011%0.105CC..Hα-helixtrans-60.8-42.1-178.600000112.9V69 T73 K155 F156 E161 I162 V163 A239 I242 Y246V69-A159 HydrophobicContact CG1-CB 3.63Å; T73-A159 HydrophobicContact CG2-CB 3.97Å; K155-A159 WeakPolarHBondContact O-CB 3.43Å; K155-A159 PolarHBondContact O-N 3.04Å; F156-A159 PolarHBondContact O-N 3.47Å; A159-E161 PolarHBondContact O-N 3.16Å; A159-I162 PolarHBondContact O-N 3.38Å; A159-V163 WeakPolarHBondContact O-CB 3.28Å; A159-V163 VanDerWaalsContact O-CG2 3.27Å; A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.09Å; A159-A239 HydrophobicContact CB-CB 3.91Å; A159-I242 HydrophobicContact CB-CD1 3.93Å; A159-Y246 HydrophobicContact CB-CD1 3.98Å; A159-Y246 HydrophobicContact CB-CE1 3.54Å
160R98.3Very high97.3Very high20 Ų2020 Ų208%0.07511%0.105CC..Hα-helixtrans-60-34.2177.862-178-70.5-80.9-10112.4F156 A157 I158 Y164 D232 D236 A239 Y254 R298F156-R160 WeakPolarHBondContact O-CG 3.36Å; F156-R160 PolarHBondContact O-N 3.29Å; A157-R160 WeakPolarHBondContact O-CG 3.35Å; I158-R160 PolarHBondContact O-N 3.2Å; R160-Y164 WeakPolarHBondContact O-CB 3.42Å; R160-Y164 PolarHBondContact O-N 3.04Å; R160-D232 IonicContact NH2-OD1 3.94Å; R160-D236 IonicContact CZ-OD1 3.88Å; R160-D236 IonicContact NE-OD1 3.21Å; R160-D236 PolarHBondContact NE-OD1 3.43Å; R160-D236 IonicContact NH2-OD1 3.75Å; R160-A239 HydrophobicContact CB-CB 4.03Å; R160-Y254 PolarHBondContact NE-OH 3.45Å; R160-Y254 VanDerWaalsContact NE-OH 3.08Å; R160-R298 VanDerWaalsContact NH2-CZ 3.26Å
161E98.4Very high97.3Very high21 Ų2122.7 Ų22.710%0.09812%0.117CC..Hα-helixtrans-72.3-45.1176-64.1-57.7132.800111.4P91 S93 V105 I158 A159 V163 Y164 L165P91-E161 HydrophobicContact CB-CG 3.88Å; S93-E161 WeakPolarHBondContact CB-OE2 3.34Å; S93-E161 PolarHBondContact N-OE2 2.7Å; S93-E161 PolarHBondContact OG-OE2 2.9Å; V105-E161 HydrophobicContact CG1-CB 4.29Å; I158-E161 WeakPolarHBondContact O-CB 3.31Å; I158-E161 PolarHBondContact O-N 3.16Å; I158-E161 VanDerWaalsContact O-N 3.14Å; A159-E161 PolarHBondContact O-N 3.16Å; E161-V163 PolarHBondContact O-N 3.03Å; E161-Y164 WeakPolarHBondContact O-CB 3.38Å; E161-Y164 PolarHBondContact O-N 3.41Å; E161-L165 WeakPolarHBondContact O-CG 3.45Å; E161-L165 PolarHBondContact O-N 3.36Å; E161-L165 VanDerWaalsContact O-N 3.1Å
162I98.5Very high97.4Very high0 Ų021.3 Ų21.30%011%0.112CC..Hα-helixtrans-59.9-47.2176.1-71.8161.8000111F66 V69 L70 T73 V75 Y81 V105 I158 A159 Y164 L165 Q166F66-I162 HydrophobicContact CD2-CD1 4.32Å; F66-I162 HydrophobicContact CE2-CD1 4.01Å; F66-I162 HydrophobicContact CE2-CG1 4.42Å; V69-I162 HydrophobicContact CB-CD1 4.22Å; V69-I162 HydrophobicContact CG1-CD1 3.61Å; L70-I162 HydrophobicContact CD2-CD1 3.68Å; L70-I162 HydrophobicContact CD2-CG1 4.14Å; L70-I162 HydrophobicContact CD2-CG2 4.26Å; L70-I162 HydrophobicContact CG-CD1 4.18Å; T73-I162 HydrophobicContact CG2-CG2 4.24Å; V75-I162 HydrophobicContact CG1-CG2 3.6Å; Y81-I162 HydrophobicContact CE1-CG2 4.13Å; V105-I162 HydrophobicContact CG2-CG1 4.24Å; I158-I162 HydrophobicContact CG2-CD1 3.79Å; I158-I162 PolarHBondContact O-N 3.4Å; I158-I162 VanDerWaalsContact O-N 3.09Å; A159-I162 PolarHBondContact O-N 3.38Å; I162-Y164 VanDerWaalsContact C-N 3.33Å; I162-Y164 PolarHBondContact O-N 3.48Å; I162-L165 PolarHBondContact O-N 2.84Å; I162-Q166 WeakPolarHBondContact O-CB 3.31Å; I162-Q166 PolarHBondContact O-N 2.99Å
163V98Very high97.3Very high10 Ų1019.8 Ų19.86%0.06111%0.106CC..Hα-helixtrans-65.4-37.8179.1173.10000111.6T73 A159 E161 L165 Q166 N167 N238T73-V163 HydrophobicContact CG2-CG2 4.01Å; A159-V163 WeakPolarHBondContact O-CB 3.28Å; A159-V163 VanDerWaalsContact O-CG2 3.27Å; A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.09Å; E161-V163 PolarHBondContact O-N 3.03Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.64Å; V163-Q166 PolarHBondContact O-N 2.83Å; V163-N167 VanDerWaalsContact CG1-ND2 3.33Å; V163-N167 WeakPolarHBondContact CG1-ND2 3.48Å; V163-N167 VanDerWaalsContact O-CB 3.28Å; V163-N167 WeakPolarHBondContact O-CB 3.43Å; V163-N167 VanDerWaalsContact O-CG 3.26Å; V163-N167 PolarHBondContact O-N 3.31Å; V163-N167 PolarHBondContact O-ND2 3.21Å; V163-N238 HydrophobicContact CG1-CB 3.55Å
164Y97.6Very high97.2Very high37 Ų3720 Ų2015%0.14511%0.107CC..Hα-helixtrans-56.6-46.9174.1176.8-94.2000110.9R160 E161 I162 S169 P170 L231 A235R160-Y164 WeakPolarHBondContact O-CB 3.42Å; R160-Y164 PolarHBondContact O-N 3.04Å; E161-Y164 WeakPolarHBondContact O-CB 3.38Å; E161-Y164 PolarHBondContact O-N 3.41Å; I162-Y164 VanDerWaalsContact C-N 3.33Å; I162-Y164 PolarHBondContact O-N 3.48Å; Y164-S169 VanDerWaalsContact CZ-CB 3.47Å; Y164-S169 WeakPolarHBondContact O-CB 3.18Å; Y164-S169 PolarHBondContact O-N 3.14Å; Y164-S169 PolarHBondContact O-OG 3.02Å; Y164-P170 HydrophobicContact CD1-CG 4.45Å; Y164-P170 HydrophobicContact CE1-CG 3.88Å; Y164-L231 HydrophobicContact CE2-CB 4.1Å; Y164-A235 HydrophobicContact CD2-CB 4.48Å
165L97.5Very high97.2Very high1 Ų122 Ų221%0.00512%0.123CC..Hα-helixtrans-68.2-46.5177.5-63-177.8000112.7Y81 V105 E161 I162 V163 N167 G168 P170Y81-L165 HydrophobicContact CE1-CB 4.36Å; Y81-L165 HydrophobicContact CE1-CD1 4.43Å; V105-L165 HydrophobicContact CG2-CD1 4.35Å; E161-L165 WeakPolarHBondContact O-CG 3.45Å; E161-L165 PolarHBondContact O-N 3.36Å; E161-L165 VanDerWaalsContact O-N 3.1Å; I162-L165 PolarHBondContact O-N 2.84Å; V163-L165 VanDerWaalsContact C-N 3.31Å; V163-L165 PolarHBondContact O-N 2.64Å; L165-N167 VanDerWaalsContact C-N 3.26Å; L165-N167 PolarHBondContact O-N 3.38Å; L165-G168 PolarHBondContact O-N 2.82Å; L165-P170 HydrophobicContact CD2-CG 3.86Å
166Q96.1Very high97.1Very high62 Ų6220.1 Ų20.129%0.2912%0.116SC..Hα-helixtrans-59.6-35.8-179.2-175.11750.700112.6I162 V163 G168I162-Q166 WeakPolarHBondContact O-CB 3.31Å; I162-Q166 PolarHBondContact O-N 2.99Å; V163-Q166 PolarHBondContact O-N 2.83Å; Q166-G168 PolarHBondContact O-N 3.27Å
167N94.8Very high97Very high62 Ų6220.5 Ų20.533%0.33212%0.119SC..THydrogen-bonded Turntrans-75.9-0.7178.9-76.7-24.9000114.2V163 L165 S169 N238V163-N167 VanDerWaalsContact CG1-ND2 3.33Å; V163-N167 WeakPolarHBondContact CG1-ND2 3.48Å; V163-N167 VanDerWaalsContact O-CB 3.28Å; V163-N167 WeakPolarHBondContact O-CB 3.43Å; V163-N167 VanDerWaalsContact O-CG 3.26Å; V163-N167 PolarHBondContact O-N 3.31Å; V163-N167 PolarHBondContact O-ND2 3.21Å; L165-N167 VanDerWaalsContact C-N 3.26Å; L165-N167 PolarHBondContact O-N 3.38Å; N167-S169 PolarHBondContact O-N 3.1Å; N167-N238 PolarHBondContact ND2-ND2 2.98Å
168G95.3Very high97Very high11 Ų1121.2 Ų21.211%0.11312%0.124CC..THydrogen-bonded Turntrans66.726.5-175.700000113.8L165 Q166 P170 L171 A172L165-G168 PolarHBondContact O-N 2.82Å; Q166-G168 PolarHBondContact O-N 3.27Å; G168-P170 VanDerWaalsContact C-CD 3.47Å; G168-P170 VanDerWaalsContact C-N 3.34Å; G168-L171 WeakPolarHBondContact O-CB 3.16Å; G168-L171 PolarHBondContact O-N 3.4Å; G168-A172 PolarHBondContact O-N 3.32Å; G168-A172 VanDerWaalsContact O-N 3.12Å
169S96.1Very high96.9Very high1 Ų124.2 Ų24.21%0.00715%0.149CC..Hα-helixtrans-57-39178-47.40000113.3Y164 N167 L171 A172 N173Y164-S169 VanDerWaalsContact CZ-CB 3.47Å; Y164-S169 WeakPolarHBondContact O-CB 3.18Å; Y164-S169 PolarHBondContact O-N 3.14Å; Y164-S169 PolarHBondContact O-OG 3.02Å; N167-S169 PolarHBondContact O-N 3.1Å; S169-L171 VanDerWaalsContact C-N 3.28Å; S169-L171 PolarHBondContact O-N 3.19Å; S169-A172 PolarHBondContact O-N 2.86Å; S169-N173 WeakPolarHBondContact O-CB 3.46Å; S169-N173 PolarHBondContact O-N 3.33Å
170P95.9Very high96.9Very high2 Ų225 Ų251%0.01315%0.154CC..Hα-helixtrans-52.6-43.7171.1-32.939.9000114.4H36 Y164 L165 G168 A174H36-P170 HydrophobicContact CB-CB 4.26Å; H36-P170 WeakPolarHBondContact ND1-CB 3.22Å; Y164-P170 HydrophobicContact CD1-CG 4.45Å; Y164-P170 HydrophobicContact CE1-CG 3.88Å; L165-P170 HydrophobicContact CD2-CG 3.86Å; G168-P170 VanDerWaalsContact C-CD 3.47Å; G168-P170 VanDerWaalsContact C-N 3.34Å; P170-A174 VanDerWaalsContact O-CB 3.32Å; P170-A174 WeakPolarHBondContact O-CB 3.49Å; P170-A174 PolarHBondContact O-N 2.87Å
171L96.7Very high96.8Very high73 Ų7326.9 Ų26.938%0.38217%0.166SC..Hα-helixtrans-68-46.9-178.9-17569.4000110.9F29 L33 G168 S169 N173 A174 A175F29-L171 HydrophobicContact CE2-CD1 4.06Å; F29-L171 HydrophobicContact CZ-CD1 3.49Å; F29-L171 VanDerWaalsContact CZ-CD1 3.49Å; L33-L171 HydrophobicContact CD2-CD1 4.38Å; G168-L171 WeakPolarHBondContact O-CB 3.16Å; G168-L171 PolarHBondContact O-N 3.4Å; S169-L171 VanDerWaalsContact C-N 3.28Å; S169-L171 PolarHBondContact O-N 3.19Å; L171-N173 VanDerWaalsContact C-N 3.32Å; L171-N173 PolarHBondContact O-N 2.6Å; L171-A174 PolarHBondContact O-N 2.61Å; L171-A175 PolarHBondContact O-N 3.26Å; L171-A175 VanDerWaalsContact O-N 3.09Å
172A96.8Very high96.8Very high44 Ų4427.1 Ų27.136%0.36417%0.171SC..Hα-helixtrans-59.8-43.3177.700000111.6G168 S169 A175 L231G168-A172 PolarHBondContact O-N 3.32Å; G168-A172 VanDerWaalsContact O-N 3.12Å; S169-A172 PolarHBondContact O-N 2.86Å; A172-A175 PolarHBondContact O-N 3.09Å; A172-L231 HydrophobicContact CB-CD1 4.16Å; A172-L231 HydrophobicContact CB-CD2 4.24Å
173N94.6Very high96.7Very high22 Ų2229.2 Ų29.212%0.11819%0.193CC..Hα-helixtrans-67.7-41.4178.3-16024000112S169 L171 A175 V176 Y224 L231S169-N173 WeakPolarHBondContact O-CB 3.46Å; S169-N173 PolarHBondContact O-N 3.33Å; L171-N173 VanDerWaalsContact C-N 3.32Å; L171-N173 PolarHBondContact O-N 2.6Å; N173-A175 VanDerWaalsContact C-N 3.25Å; N173-A175 PolarHBondContact O-N 3.3Å; N173-V176 WeakPolarHBondContact O-CG2 3.32Å; N173-V176 PolarHBondContact O-N 3.03Å; N173-Y224 PolarHBondContact ND2-OH 3.28Å; N173-Y224 WeakPolarHBondContact OD1-CE2 3.48Å; N173-L231 HydrophobicContact CB-CD1 4.07Å
174A96Very high96.7Very high4 Ų430.4 Ų30.43%0.03320%0.2CC..Hα-helixtrans-64.4-28.417800000113.3F29 N32 L33 P170 L171 V176 P178F29-A174 HydrophobicContact CD2-CB 4.17Å; F29-A174 HydrophobicContact CE2-CB 4.11Å; N32-A174 HydrophobicContact CB-CB 3.87Å; L33-A174 HydrophobicContact CB-CB 4.25Å; L33-A174 HydrophobicContact CD1-CB 3.98Å; P170-A174 VanDerWaalsContact O-CB 3.32Å; P170-A174 WeakPolarHBondContact O-CB 3.49Å; P170-A174 PolarHBondContact O-N 2.87Å; L171-A174 PolarHBondContact O-N 2.61Å; A174-V176 VanDerWaalsContact C-N 3.33Å; A174-V176 PolarHBondContact O-N 3.33Å; A174-P178 VanDerWaalsContact O-CD 3.28Å; A174-P178 WeakPolarHBondContact O-CD 3.34Å
175A97.5Very high96.6Very high41 Ų4131.3 Ų31.334%0.33920%0.204SC..THydrogen-bonded Turntrans-74-16.2-179.500000114.5F29 L171 A172 N173 P178 A179F29-A175 HydrophobicContact CE2-CB 4.29Å; L171-A175 PolarHBondContact O-N 3.26Å; L171-A175 VanDerWaalsContact O-N 3.09Å; A172-A175 PolarHBondContact O-N 3.09Å; N173-A175 VanDerWaalsContact C-N 3.25Å; N173-A175 PolarHBondContact O-N 3.3Å; A175-P178 VanDerWaalsContact O-CD 3.3Å; A175-P178 WeakPolarHBondContact O-CD 3.49Å; A175-P178 VanDerWaalsContact O-CG 3.26Å; A175-P178 WeakPolarHBondContact O-CG 3.33Å; A175-A179 VanDerWaalsContact O-CB 3.25Å; A175-A179 WeakPolarHBondContact O-CB 3.17Å; A175-A179 PolarHBondContact O-N 3.34Å; A175-A179 VanDerWaalsContact O-N 3.12Å
176V97.1Very high96.5Very high11 Ų1137.2 Ų37.27%0.06723%0.229CC..Hα-helixtrans-63.9-49.6-175.5-179.30000111.9N173 A174 A179 C180 Y220 Y224 V227N173-V176 WeakPolarHBondContact O-CG2 3.32Å; N173-V176 PolarHBondContact O-N 3.03Å; A174-V176 VanDerWaalsContact C-N 3.33Å; A174-V176 PolarHBondContact O-N 3.33Å; V176-A179 PolarHBondContact O-N 3.47Å; V176-C180 WeakPolarHBondContact O-CB 3.42Å; V176-C180 PolarHBondContact O-N 2.91Å; V176-C180 PolarHBondContact O-SG 2.76Å; V176-C180 VanDerWaalsContact O-SG 3.32Å; V176-Y220 HydrophobicContact CG1-CD2 4.09Å; V176-Y220 HydrophobicContact CG1-CE2 4.27Å; V176-Y224 HydrophobicContact CB-CD2 4.37Å; V176-Y224 HydrophobicContact CG1-CD2 4.49Å; V176-V227 HydrophobicContact CG2-CB 3.95Å; V176-V227 HydrophobicContact CG2-CG1 3.93Å; V176-V227 HydrophobicContact CG2-CG2 3.9Å
177A96.2Very high96.4Very high8 Ų836 Ų367%0.06623%0.233CC..Hα-helixtrans-57.9-52.5-178.700000113.5L28 A179 C180 L181 Y220L28-A177 HydrophobicContact CB-CB 4.33Å; L28-A177 HydrophobicContact CD1-CB 4.37Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 3.01Å; A177-C180 PolarHBondContact O-N 3.43Å; A177-L181 WeakPolarHBondContact O-CB 3.49Å; A177-L181 PolarHBondContact O-N 2.86Å; A177-Y220 HydrophobicContact CB-CD2 4.3Å; A177-Y220 HydrophobicContact CB-CE2 3.73Å
178P97.7Very high96.4Very high16 Ų1633.1 Ų33.110%0.10422%0.218CC..Hα-helixtrans-65.1-35.4177.226-35.6000112.9C25 F29 A174 A175 L181 A182C25-P178 HydrophobicContact CB-CB 3.74Å; F29-P178 HydrophobicContact CB-CG 4.1Å; F29-P178 HydrophobicContact CD2-CG 4.16Å; A174-P178 VanDerWaalsContact O-CD 3.28Å; A174-P178 WeakPolarHBondContact O-CD 3.34Å; A175-P178 VanDerWaalsContact O-CD 3.3Å; A175-P178 WeakPolarHBondContact O-CD 3.49Å; A175-P178 VanDerWaalsContact O-CG 3.26Å; A175-P178 WeakPolarHBondContact O-CG 3.33Å; P178-L181 PolarHBondContact O-N 3.01Å; P178-A182 WeakPolarHBondContact O-CB 3.48Å; P178-A182 PolarHBondContact O-N 2.83Å
179A97.9Very high96.2Very high63 Ų6334.5 Ų34.552%0.52122%0.223SC..Hα-helixtrans-62.7-47.3176.300000111.6A175 V176 A177 A182 G183A175-A179 VanDerWaalsContact O-CB 3.25Å; A175-A179 WeakPolarHBondContact O-CB 3.17Å; A175-A179 PolarHBondContact O-N 3.34Å; A175-A179 VanDerWaalsContact O-N 3.12Å; V176-A179 PolarHBondContact O-N 3.47Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 3.01Å; A179-A182 PolarHBondContact O-N 3.11Å; A179-G183 PolarHBondContact O-N 3.07Å
180C97.6Very high96Very high16 Ų1636.2 Ų36.211%0.10824%0.241CC..Hα-helixtrans-66.1-38.3177.1-66.10000112.2V176 A177 G183 T184 Y220V176-C180 WeakPolarHBondContact O-CB 3.42Å; V176-C180 PolarHBondContact O-N 2.91Å; V176-C180 PolarHBondContact O-SG 2.76Å; V176-C180 VanDerWaalsContact O-SG 3.32Å; A177-C180 PolarHBondContact O-N 3.43Å; C180-G183 PolarHBondContact O-N 3.01Å; C180-T184 WeakPolarHBondContact O-CB 3.35Å; C180-T184 PolarHBondContact O-N 3.46Å; C180-T184 PolarHBondContact O-OG1 3.41Å; C180-Y220 HydrophobicContact CB-CD2 4.38Å
181L97.5Very high95.9Very high60 Ų6039.8 Ų39.831%0.31426%0.259SS..Hα-helixtrans-63.1-48.9176.117962.6000111.5L21 L28 A177 P178 T184 Y185L21-L181 HydrophobicContact CD1-CD2 4.21Å; L21-L181 HydrophobicContact CD1-CG 3.87Å; L28-L181 HydrophobicContact CD1-CB 4.33Å; L28-L181 HydrophobicContact CD1-CD2 3.67Å; A177-L181 WeakPolarHBondContact O-CB 3.49Å; A177-L181 PolarHBondContact O-N 2.86Å; P178-L181 PolarHBondContact O-N 3.01Å; L181-T184 PolarHBondContact O-N 3.19Å; L181-Y185 PolarHBondContact O-N 3.25Å
182A97.4Very high95.7Very high25 Ų2537.9 Ų37.921%0.20725%0.247CC..Hα-helixtrans-61.1-46.5176.800000111.3P178 A179 T184 Y185 F186P178-A182 WeakPolarHBondContact O-CB 3.48Å; P178-A182 PolarHBondContact O-N 2.83Å; A179-A182 PolarHBondContact O-N 3.11Å; A182-T184 VanDerWaalsContact C-N 3.33Å; A182-T184 PolarHBondContact O-N 3.18Å; A182-Y185 PolarHBondContact O-N 3.01Å; A182-F186 HydrophobicContact CB-CD2 4.44Å; A182-F186 HydrophobicContact CB-CE2 4.4Å; A182-F186 WeakPolarHBondContact O-CD2 3.42Å; A182-F186 PolarHBondContact O-N 2.91Å
183G97.1Very high95.4Very high45 Ų4541 Ų4146%0.46426%0.257SS..Hα-helixtrans-58.4-43.1176.300000112.6A179 C180 Y185 G187A179-G183 PolarHBondContact O-N 3.07Å; C180-G183 PolarHBondContact O-N 3.01Å; G183-Y185 PolarHBondContact O-N 3.08Å; G183-G187 WeakPolarHBondContact O-CA 3.45Å; G183-G187 PolarHBondContact O-N 2.86Å
184T97.3Very high95.3Very high34 Ų3447 Ų4721%0.20929%0.288CS..Hα-helixtrans-62.5-42.9176.4-57.70000111.5C180 L181 A182 G188 I212 G216C180-T184 WeakPolarHBondContact O-CB 3.35Å; C180-T184 PolarHBondContact O-N 3.46Å; C180-T184 PolarHBondContact O-OG1 3.41Å; L181-T184 PolarHBondContact O-N 3.19Å; A182-T184 VanDerWaalsContact C-N 3.33Å; A182-T184 PolarHBondContact O-N 3.18Å; T184-G188 PolarHBondContact O-N 3.48Å; T184-I212 HydrophobicContact CG2-CG2 3.87Å; T184-G216 WeakPolarHBondContact OG1-CA 3.27Å
185Y95.8Very high95Very high56 Ų5651.9 Ų51.922%0.2231%0.313CS..Hα-helixtrans-65-52.3178.9174.9-93.1000112.3K17 L21 L181 A182 G183 G188 I189K17-Y185 VanDerWaalsContact CD-OH 3.27Å; K17-Y185 WeakPolarHBondContact CD-OH 3.23Å; K17-Y185 VanDerWaalsContact CG-OH 3.31Å; K17-Y185 WeakPolarHBondContact CG-OH 3.49Å; L21-Y185 HydrophobicContact CD1-CG 4.2Å; L21-Y185 HydrophobicContact CD2-CD1 3.4Å; L21-Y185 HydrophobicContact CD2-CD2 4.46Å; L21-Y185 HydrophobicContact CD2-CE1 3.88Å; L21-Y185 HydrophobicContact CD2-CG 3.71Å; L21-Y185 HydrophobicContact CG-CG 4.47Å; L181-Y185 PolarHBondContact O-N 3.25Å; A182-Y185 PolarHBondContact O-N 3.01Å; G183-Y185 PolarHBondContact O-N 3.08Å; Y185-G188 PolarHBondContact O-N 2.89Å; Y185-I189 HydrophobicContact CD1-CD1 4Å; Y185-I189 HydrophobicContact CE1-CD1 3.41Å; Y185-I189 VanDerWaalsContact CE1-CD1 3.41Å; Y185-I189 HydrophobicContact CE2-CD1 4.37Å; Y185-I189 PolarHBondContact O-N 3.41Å; Y185-I189 VanDerWaalsContact O-N 3.08Å
186F95.6Very high94.7Very high125 Ų12552 Ų5255%0.54832%0.319SS..Hα-helixtrans-69.9-42-178.4-69.8-62.6000112.1L21 A182 G188 I189 G190L21-F186 HydrophobicContact CD2-CE2 4.11Å; L21-F186 HydrophobicContact CD2-CZ 4.2Å; A182-F186 HydrophobicContact CB-CD2 4.44Å; A182-F186 HydrophobicContact CB-CE2 4.4Å; A182-F186 WeakPolarHBondContact O-CD2 3.42Å; A182-F186 PolarHBondContact O-N 2.91Å; F186-G188 VanDerWaalsContact C-N 3.26Å; F186-G188 PolarHBondContact O-N 3.41Å; F186-I189 WeakPolarHBondContact O-CB 3.44Å; F186-I189 PolarHBondContact O-N 2.99Å; F186-G190 PolarHBondContact O-N 3.37Å
187G94.3Very high94.2Very high36 Ų3652.3 Ų52.337%0.37132%0.32SS..Hα-helixtrans-59.3-40.4173.200000111.5G183 I189 G190 I191G183-G187 WeakPolarHBondContact O-CA 3.45Å; G183-G187 PolarHBondContact O-N 2.86Å; G187-I189 PolarHBondContact O-N 3.49Å; G187-G190 PolarHBondContact O-N 3.17Å; G187-I191 WeakPolarHBondContact O-CB 3.28Å; G187-I191 VanDerWaalsContact O-CG1 3.31Å; G187-I191 WeakPolarHBondContact O-CG1 3.21Å; G187-I191 PolarHBondContact O-N 3.39Å
188G93.4Very high93.6Very high2 Ų256.9 Ų56.92%0.02134%0.336CS..Hα-helixtrans-62.5-41.917500000113.5T184 Y185 F186 K192T184-G188 PolarHBondContact O-N 3.48Å; Y185-G188 PolarHBondContact O-N 2.89Å; F186-G188 VanDerWaalsContact C-N 3.26Å; F186-G188 PolarHBondContact O-N 3.41Å; G188-K192 WeakPolarHBondContact O-CE 3.25Å; G188-K192 WeakPolarHBondContact O-CG 3.35Å; G188-K192 PolarHBondContact O-N 3.48Å; G188-K192 VanDerWaalsContact O-N 3.13Å
189I92.4Very high92.9Very high41 Ų4162 Ų6221%0.2137%0.369CS..Hα-helixtrans-58.4-51.8172.3-69.6171000110.1Y185 F186 G187 I191 K192 I193Y185-I189 HydrophobicContact CD1-CD1 4Å; Y185-I189 HydrophobicContact CE1-CD1 3.41Å; Y185-I189 VanDerWaalsContact CE1-CD1 3.41Å; Y185-I189 HydrophobicContact CE2-CD1 4.37Å; Y185-I189 PolarHBondContact O-N 3.41Å; Y185-I189 VanDerWaalsContact O-N 3.08Å; F186-I189 WeakPolarHBondContact O-CB 3.44Å; F186-I189 PolarHBondContact O-N 2.99Å; G187-I189 PolarHBondContact O-N 3.49Å; I189-I191 PolarHBondContact O-N 2.88Å; I189-K192 PolarHBondContact O-N 2.88Å; I189-I193 HydrophobicContact CG2-CD1 3.9Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 WeakPolarHBondContact O-CG1 3.46Å; I189-I193 PolarHBondContact O-N 3.4Å
190G92.5Very high91.9Very high37 Ų3759.9 Ų59.938%0.38135%0.353SS..Hα-helixtrans-57.3-48.4-178.900000113F186 G187 K192 I193 L194F186-G190 PolarHBondContact O-N 3.37Å; G187-G190 PolarHBondContact O-N 3.17Å; G190-K192 VanDerWaalsContact C-N 3.33Å; G190-K192 PolarHBondContact O-N 2.9Å; G190-I193 PolarHBondContact O-N 3.47Å; G190-L194 WeakPolarHBondContact O-CB 3.35Å; G190-L194 PolarHBondContact O-N 3.5Å
191I93.1Very high91.5Very high76 Ų7663.3 Ų63.339%0.3938%0.376SS..Hα-helixtrans-60.2-42.6178.5-70166000111.2G187 I189 I193 L194 L195 I212G187-I191 WeakPolarHBondContact O-CB 3.28Å; G187-I191 VanDerWaalsContact O-CG1 3.31Å; G187-I191 WeakPolarHBondContact O-CG1 3.21Å; G187-I191 PolarHBondContact O-N 3.39Å; I189-I191 PolarHBondContact O-N 2.88Å; I191-I193 VanDerWaalsContact C-N 3.35Å; I191-I193 PolarHBondContact O-N 3.49Å; I191-L194 PolarHBondContact O-N 3.5Å; I191-L195 HydrophobicContact CG2-CD1 3.71Å; I191-L195 HydrophobicContact CG2-CG 4.31Å; I191-L195 WeakPolarHBondContact O-CB 3.43Å; I191-L195 VanDerWaalsContact O-CG 3.32Å; I191-L195 WeakPolarHBondContact O-CG 3.2Å; I191-L195 PolarHBondContact O-N 3.45Å; I191-I212 HydrophobicContact CB-CD1 4.38Å; I191-I212 HydrophobicContact CD1-CG1 4.22Å; I191-I212 HydrophobicContact CG2-CD1 4.29Å
192K92.1Very high90.9Very high33 Ų3365 Ų6514%0.14339%0.388CS..Hα-helixtrans-67.9-33.1178.3-75.4178.6-63.9-147.90113G188 I189 G190 G196 L197 Y198 N209G188-K192 WeakPolarHBondContact O-CE 3.25Å; G188-K192 WeakPolarHBondContact O-CG 3.35Å; G188-K192 PolarHBondContact O-N 3.48Å; G188-K192 VanDerWaalsContact O-N 3.13Å; I189-K192 PolarHBondContact O-N 2.88Å; G190-K192 VanDerWaalsContact C-N 3.33Å; G190-K192 PolarHBondContact O-N 2.9Å; K192-G196 PolarHBondContact O-N 3.5Å; K192-L197 HydrophobicContact CB-CB 4.42Å; K192-L197 HydrophobicContact CG-CB 4.46Å; K192-L197 HydrophobicContact CG-CD1 4.45Å; K192-L197 PolarHBondContact O-N 2.9Å; K192-Y198 HydrophobicContact CB-CD2 4.02Å; K192-Y198 HydrophobicContact CB-CE2 3.5Å; K192-N209 PolarHBondContact NZ-OD1 2.8Å
193I91.4Very high90.6Very high111 Ų11170.2 Ų70.257%0.56941%0.411SS*.Hα-helixtrans-66.8-50.2172.7-66.1174.9000109.2I189 G190 I191 L195 G196 Y198I189-I193 HydrophobicContact CG2-CD1 3.9Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 WeakPolarHBondContact O-CG1 3.46Å; I189-I193 PolarHBondContact O-N 3.4Å; G190-I193 PolarHBondContact O-N 3.47Å; I191-I193 VanDerWaalsContact C-N 3.35Å; I191-I193 PolarHBondContact O-N 3.49Å; I193-L195 VanDerWaalsContact C-N 3.3Å; I193-L195 PolarHBondContact O-N 2.87Å; I193-G196 PolarHBondContact O-N 2.89Å; I193-Y198 HydrophobicContact CB-CE2 4.47Å; I193-Y198 HydrophobicContact CG1-CD2 4.01Å; I193-Y198 HydrophobicContact CG1-CE2 3.53Å
194L92Very high90.2Very high147 Ų14772.3 Ų72.377%0.7741%0.411SS*.Hα-helixtrans-58.3-41.2-178.4-178.764000112.5G190 I191 G196G190-L194 WeakPolarHBondContact O-CB 3.35Å; G190-L194 PolarHBondContact O-N 3.5Å; I191-L194 PolarHBondContact O-N 3.5Å; L194-G196 VanDerWaalsContact C-N 3.28Å; L194-G196 PolarHBondContact O-N 3.32Å
195L90.5Very high89.8Confident107 Ų10774.6 Ų74.656%0.5642%0.416SS*.THydrogen-bonded Turntrans-84.32.8179.1-64.3177.6000113.6I191 I193 L197I191-L195 HydrophobicContact CG2-CD1 3.71Å; I191-L195 HydrophobicContact CG2-CG 4.31Å; I191-L195 WeakPolarHBondContact O-CB 3.43Å; I191-L195 VanDerWaalsContact O-CG 3.32Å; I191-L195 WeakPolarHBondContact O-CG 3.2Å; I191-L195 PolarHBondContact O-N 3.45Å; I193-L195 VanDerWaalsContact C-N 3.3Å; I193-L195 PolarHBondContact O-N 2.87Å; L195-L197 HydrophobicContact CB-CD1 3.82Å; L195-L197 HydrophobicContact CB-CD2 4.38Å; L195-L197 HydrophobicContact CB-CG 3.62Å; L195-L197 HydrophobicContact CD1-CD1 3.89Å; L195-L197 PolarHBondContact O-N 2.94Å
196G89.5Confident89.4Confident44 Ų4475 Ų7545%0.45443%0.427SS..THydrogen-bonded Turntrans61.926-179.500000114K192 I193 L194 Y198 P199K192-G196 PolarHBondContact O-N 3.5Å; I193-G196 PolarHBondContact O-N 2.89Å; L194-G196 VanDerWaalsContact C-N 3.28Å; L194-G196 PolarHBondContact O-N 3.32Å; G196-Y198 PolarHBondContact O-N 2.88Å; G196-P199 VanDerWaalsContact O-CD 3.31Å; G196-P199 WeakPolarHBondContact O-CD 3.41Å; G196-P199 WeakPolarHBondContact O-CG 3.2Å
197L87.7Confident89.3Confident17 Ų1772.7 Ų72.79%0.08942%0.423CS..  trans-81.8-12-169.6-65.6179.1000114.1K192 L195 G200 L204 R205 C208K192-L197 HydrophobicContact CB-CB 4.42Å; K192-L197 HydrophobicContact CG-CB 4.46Å; K192-L197 HydrophobicContact CG-CD1 4.45Å; K192-L197 PolarHBondContact O-N 2.9Å; L195-L197 HydrophobicContact CB-CD1 3.82Å; L195-L197 HydrophobicContact CB-CD2 4.38Å; L195-L197 HydrophobicContact CB-CG 3.62Å; L195-L197 HydrophobicContact CD1-CD1 3.89Å; L195-L197 PolarHBondContact O-N 2.94Å; L197-G200 PolarHBondContact O-N 3.44Å; L197-G200 VanDerWaalsContact O-N 3.07Å; L197-L204 HydrophobicContact CD2-CD2 3.36Å; L197-L204 HydrophobicContact CD2-CG 3.7Å; L197-R205 HydrophobicContact CB-CG 4.25Å; L197-R205 WeakPolarHBondContact O-CD 3.31Å; L197-R205 WeakPolarHBondContact O-CG 3.2Å; L197-C208 HydrophobicContact CD1-CB 3.8Å
198Y83.3Confident89.2Confident104 Ų10471.6 Ų71.641%0.40841%0.41SS..SBendtrans-59.3-48.5179.5-84.1-85.1000114.3K192 I193 G196 G200K192-Y198 HydrophobicContact CB-CD2 4.02Å; K192-Y198 HydrophobicContact CB-CE2 3.5Å; I193-Y198 HydrophobicContact CB-CE2 4.47Å; I193-Y198 HydrophobicContact CG1-CD2 4.01Å; I193-Y198 HydrophobicContact CG1-CE2 3.53Å; G196-Y198 PolarHBondContact O-N 2.88Å; Y198-G200 PolarHBondContact O-N 3.43Å
199P82.8Confident89.2Confident123 Ų12374.8 Ų74.880%0.79943%0.426SS*.SBendtrans-75.5-8.6171.630.2-36.6000113.6G196G196-P199 VanDerWaalsContact O-CD 3.31Å; G196-P199 WeakPolarHBondContact O-CD 3.41Å; G196-P199 WeakPolarHBondContact O-CG 3.2Å
200G78.1Confident89.3Confident18 Ų1878.5 Ų78.519%0.18645%0.446CS..SBendtrans-78172.1-17200000116L197 Y198 R205L197-G200 PolarHBondContact O-N 3.44Å; L197-G200 VanDerWaalsContact O-N 3.07Å; Y198-G200 PolarHBondContact O-N 3.43Å; G200-R205 PolarHBondContact O-NE 3.19Å; G200-R205 VanDerWaalsContact O-NE 3.14Å; G200-R205 PolarHBondContact O-NH2 3.1Å
201P87.3Confident89.5Confident89 Ų8981.9 Ų81.958%0.57845%0.454SS*.  trans-54142.7-180-24.333.1000112.5I203 L204 R205P201-I203 PolarHBondContact O-N 3.03Å; P201-L204 PolarHBondContact O-N 3.3Å; P201-R205 PolarHBondContact O-N 3.48Å
202V86.3Confident89.7Confident96 Ų9679.3 Ų79.358%0.58244%0.441SS*.Hα-helixtrans-57.7-38.4-180177.10000111.3L204 R205 S206V202-L204 PolarHBondContact O-N 2.99Å; V202-R205 PolarHBondContact O-N 3.43Å; V202-S206 PolarHBondContact O-N 2.98Å; V202-S206 PolarHBondContact O-OG 3.34Å; V202-S206 VanDerWaalsContact O-OG 3.12Å
203I90.1Very high89.8Confident134 Ų13480.3 Ų80.369%0.68746%0.455SS*.Hα-helixtrans-59.1-48.8-180-60.7172.1000110.7P201 R205 S206 V207P201-I203 PolarHBondContact O-N 3.03Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 2.87Å; I203-S206 WeakPolarHBondContact O-CB 3.24Å; I203-S206 PolarHBondContact O-N 2.93Å; I203-S206 VanDerWaalsContact O-N 3.13Å; I203-V207 HydrophobicContact CG2-CG2 4.47Å; I203-V207 WeakPolarHBondContact O-CG2 3.33Å; I203-V207 PolarHBondContact O-N 3.25Å
204L89.1Confident90.1Very high89 Ų8978.5 Ų78.547%0.46645%0.45SS..Hα-helixtrans-64.7-38.5-178.6-172.159.2000111.7L197 P201 V202 V207 C208L197-L204 HydrophobicContact CD2-CD2 3.36Å; L197-L204 HydrophobicContact CD2-CG 3.7Å; P201-L204 PolarHBondContact O-N 3.3Å; V202-L204 PolarHBondContact O-N 2.99Å; L204-V207 PolarHBondContact O-N 3.45Å; L204-C208 VanDerWaalsContact O-CB 3.3Å; L204-C208 WeakPolarHBondContact O-CB 3.43Å; L204-C208 PolarHBondContact O-N 2.85Å
205R88.4Confident90.3Very high82 Ų8274 Ų7431%0.30943%0.434SS..Hα-helixtrans-63.4-40.8172.7-74.2-175.1-79.3164.4-6.4112.4L197 G200 P201 V202 I203 N209L197-R205 HydrophobicContact CB-CG 4.25Å; L197-R205 WeakPolarHBondContact O-CD 3.31Å; L197-R205 WeakPolarHBondContact O-CG 3.2Å; G200-R205 PolarHBondContact O-NE 3.19Å; G200-R205 VanDerWaalsContact O-NE 3.14Å; G200-R205 PolarHBondContact O-NH2 3.1Å; P201-R205 PolarHBondContact O-N 3.48Å; V202-R205 PolarHBondContact O-N 3.43Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 2.87Å; R205-N209 WeakPolarHBondContact O-CB 3.2Å; R205-N209 PolarHBondContact O-N 3.42Å; R205-N209 PolarHBondContact O-ND2 2.96Å
206S88.6Confident90.5Very high65 Ų6569.4 Ų69.446%0.45541%0.412SS..Hα-helixtrans-65.6-45177.6-66.20000111.8V202 I203 N209 L210V202-S206 PolarHBondContact O-N 2.98Å; V202-S206 PolarHBondContact O-OG 3.34Å; V202-S206 VanDerWaalsContact O-OG 3.12Å; I203-S206 WeakPolarHBondContact O-CB 3.24Å; I203-S206 PolarHBondContact O-N 2.93Å; I203-S206 VanDerWaalsContact O-N 3.13Å; S206-N209 PolarHBondContact O-N 2.84Å; S206-L210 PolarHBondContact O-N 2.87Å
207V93Very high90.8Very high75 Ų7571.4 Ų71.446%0.45541%0.412SS..Hα-helixtrans-60.5-47.1175.2172.90000110.7I203 L204 N209 L210 I211I203-V207 HydrophobicContact CG2-CG2 4.47Å; I203-V207 WeakPolarHBondContact O-CG2 3.33Å; I203-V207 PolarHBondContact O-N 3.25Å; L204-V207 PolarHBondContact O-N 3.45Å; V207-N209 PolarHBondContact O-N 3.08Å; V207-L210 PolarHBondContact O-N 3.37Å; V207-I211 HydrophobicContact CG1-CD1 3.94Å; V207-I211 WeakPolarHBondContact O-CG1 3.36Å; V207-I211 PolarHBondContact O-N 2.97Å
208C92.3Very high91.1Very high14 Ų1475 Ų7510%0.09543%0.43CS..Hα-helixtrans-58.8-45.6176.5-176.80000112L197 L204 L210 I211 I212L197-C208 HydrophobicContact CD1-CB 3.8Å; L204-C208 VanDerWaalsContact O-CB 3.3Å; L204-C208 WeakPolarHBondContact O-CB 3.43Å; L204-C208 PolarHBondContact O-N 2.85Å; C208-L210 VanDerWaalsContact C-N 3.33Å; C208-L210 PolarHBondContact O-N 3.3Å; C208-I211 PolarHBondContact O-N 3.46Å; C208-I212 WeakPolarHBondContact O-CB 3.41Å; C208-I212 WeakPolarHBondContact O-CD1 3.47Å; C208-I212 VanDerWaalsContact O-CG1 3.27Å; C208-I212 WeakPolarHBondContact O-CG1 3.31Å; C208-I212 PolarHBondContact O-N 2.96Å; C208-I212 WeakPolarHBondContact SG-CD1 3.21Å
209N92.8Very high91.7Very high68 Ų6873 Ų7336%0.36443%0.43SS..Hα-helixtrans-61.3-39.7176.7-72.8-30.4000112.5K192 R205 S206 V207 I212 A213K192-N209 PolarHBondContact NZ-OD1 2.8Å; R205-N209 WeakPolarHBondContact O-CB 3.2Å; R205-N209 PolarHBondContact O-N 3.42Å; R205-N209 PolarHBondContact O-ND2 2.96Å; S206-N209 PolarHBondContact O-N 2.84Å; V207-N209 PolarHBondContact O-N 3.08Å; N209-I212 PolarHBondContact O-N 3.27Å; N209-A213 VanDerWaalsContact O-CB 3.29Å; N209-A213 WeakPolarHBondContact O-CB 3.43Å; N209-A213 PolarHBondContact O-N 3.22Å
210L95.6Very high92.3Very high120 Ų12069.5 Ų69.563%0.62840%0.402SS*.Hα-helixtrans-63.4-47.1177.3-178.263.3000110.8S206 V207 C208 I212 A213 T214S206-L210 PolarHBondContact O-N 2.87Å; V207-L210 PolarHBondContact O-N 3.37Å; C208-L210 VanDerWaalsContact C-N 3.33Å; C208-L210 PolarHBondContact O-N 3.3Å; L210-I212 PolarHBondContact O-N 2.84Å; L210-A213 PolarHBondContact O-N 3.21Å; L210-T214 PolarHBondContact O-N 2.89Å; L210-T214 PolarHBondContact O-OG1 2.83Å; L210-T214 VanDerWaalsContact O-OG1 3.1Å
211I96.3Very high92.9Very high108 Ų10873 Ų7355%0.55441%0.41SS*.Hα-helixtrans-59.2-47.4176.8-66.4167.5000110.6V207 C208 A213 T214 A215V207-I211 HydrophobicContact CG1-CD1 3.94Å; V207-I211 WeakPolarHBondContact O-CG1 3.36Å; V207-I211 PolarHBondContact O-N 2.97Å; C208-I211 PolarHBondContact O-N 3.46Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 2.68Å; I211-T214 PolarHBondContact O-N 3.32Å; I211-A215 WeakPolarHBondContact O-CB 3.21Å; I211-A215 PolarHBondContact O-N 3.4Å
212I96.1Very high93.2Very high22 Ų2274.1 Ų74.111%0.11341%0.41CS..Hα-helixtrans-60.5-43.6177.7-70157.4000110.9T184 I191 C208 N209 L210 A215 G216T184-I212 HydrophobicContact CG2-CG2 3.87Å; I191-I212 HydrophobicContact CB-CD1 4.38Å; I191-I212 HydrophobicContact CD1-CG1 4.22Å; I191-I212 HydrophobicContact CG2-CD1 4.29Å; C208-I212 WeakPolarHBondContact O-CB 3.41Å; C208-I212 WeakPolarHBondContact O-CD1 3.47Å; C208-I212 VanDerWaalsContact O-CG1 3.27Å; C208-I212 WeakPolarHBondContact O-CG1 3.31Å; C208-I212 PolarHBondContact O-N 2.96Å; C208-I212 WeakPolarHBondContact SG-CD1 3.21Å; N209-I212 PolarHBondContact O-N 3.27Å; L210-I212 PolarHBondContact O-N 2.84Å; I212-A215 PolarHBondContact O-N 3.23Å; I212-G216 PolarHBondContact O-N 3.45Å
213A95.6Very high93.6Very high53 Ų5371.4 Ų71.444%0.43840%0.395SS..Hα-helixtrans-64.3-43.5178.900000111.8N209 L210 I211 G216 L217N209-A213 VanDerWaalsContact O-CB 3.29Å; N209-A213 WeakPolarHBondContact O-CB 3.43Å; N209-A213 PolarHBondContact O-N 3.22Å; L210-A213 PolarHBondContact O-N 3.21Å; I211-A213 VanDerWaalsContact C-N 3.33Å; I211-A213 PolarHBondContact O-N 2.68Å; A213-G216 PolarHBondContact O-N 3.23Å; A213-L217 PolarHBondContact O-N 2.86Å
214T96.1Very high93.8Very high74 Ų7467.2 Ų67.245%0.45437%0.371SS..Hα-helixtrans-62.6-45.9175-59.40000111.4L210 I211 G216 L217 I218L210-T214 PolarHBondContact O-N 2.89Å; L210-T214 PolarHBondContact O-OG1 2.83Å; L210-T214 VanDerWaalsContact O-OG1 3.1Å; I211-T214 PolarHBondContact O-N 3.32Å; T214-G216 VanDerWaalsContact C-N 3.32Å; T214-G216 PolarHBondContact O-N 3.49Å; T214-L217 PolarHBondContact O-N 3.36Å; T214-I218 HydrophobicContact CG2-CD1 4.08Å; T214-I218 WeakPolarHBondContact O-CG1 3.33Å; T214-I218 PolarHBondContact O-N 3.07Å
215A96.2Very high93.9Very high53 Ų5364.4 Ų64.444%0.43836%0.356SS..Hα-helixtrans-61.7-40.817600000111.9I211 I212 I218 C219I211-A215 WeakPolarHBondContact O-CB 3.21Å; I211-A215 PolarHBondContact O-N 3.4Å; I212-A215 PolarHBondContact O-N 3.23Å; A215-I218 PolarHBondContact O-N 3.47Å; A215-C219 VanDerWaalsContact O-CB 3.3Å; A215-C219 WeakPolarHBondContact O-CB 3.38Å; A215-C219 PolarHBondContact O-N 3.34Å
216G96.3Very high94.1Very high9 Ų963 Ų639%0.09336%0.363CS..Hα-helixtrans-60.8-42.2174.200000113.2T184 I212 A213 T214 C219 Y220T184-G216 WeakPolarHBondContact OG1-CA 3.27Å; I212-G216 PolarHBondContact O-N 3.45Å; A213-G216 PolarHBondContact O-N 3.23Å; T214-G216 VanDerWaalsContact C-N 3.32Å; T214-G216 PolarHBondContact O-N 3.49Å; G216-C219 WeakPolarHBondContact O-CB 3.47Å; G216-C219 PolarHBondContact O-N 3.21Å; G216-Y220 PolarHBondContact O-N 3.1Å
217L94.9Very high94.5Very high87 Ų8762.1 Ų62.146%0.45535%0.354SS..Hα-helixtrans-65.4-42.1175.6-177.663.1000112.1A213 T214 Y220 Y221A213-L217 PolarHBondContact O-N 2.86Å; T214-L217 PolarHBondContact O-N 3.36Å; L217-Y220 HydrophobicContact CD1-CD1 4.32Å; L217-Y220 WeakPolarHBondContact O-CB 3.34Å; L217-Y220 PolarHBondContact O-N 3.17Å; L217-Y221 HydrophobicContact CD1-CE1 4.41Å; L217-Y221 HydrophobicContact CD1-CE2 3.9Å; L217-Y221 HydrophobicContact CD2-CE2 4.19Å; L217-Y221 HydrophobicContact CG-CD2 4.31Å; L217-Y221 HydrophobicContact CG-CE2 3.72Å; L217-Y221 WeakPolarHBondContact O-CD2 3.45Å; L217-Y221 PolarHBondContact O-N 2.87Å; L217-Y221 VanDerWaalsContact O-N 3.08Å
218I94.2Very high94.5Very high91 Ų9159.7 Ų59.747%0.46734%0.34SS..Hα-helixtrans-62.6-45.3174.6-67.1166.3000110.2T214 A215 Y220 Y221 I222T214-I218 HydrophobicContact CG2-CD1 4.08Å; T214-I218 WeakPolarHBondContact O-CG1 3.33Å; T214-I218 PolarHBondContact O-N 3.07Å; A215-I218 PolarHBondContact O-N 3.47Å; I218-Y220 VanDerWaalsContact C-N 3.28Å; I218-Y220 PolarHBondContact O-N 3.15Å; I218-Y221 PolarHBondContact O-N 3.17Å; I218-Y221 VanDerWaalsContact O-N 3.17Å; I218-I222 HydrophobicContact CG2-CD1 3.76Å; I218-I222 HydrophobicContact CG2-CG1 4.41Å; I218-I222 WeakPolarHBondContact O-CG1 3.17Å; I218-I222 PolarHBondContact O-N 2.71Å
219C95.4Very high94.6Very high63 Ų6363.1 Ų63.143%0.42635%0.351SS..Hα-helixtrans-58.4-41176-176.80000111.6A215 G216 S223A215-C219 VanDerWaalsContact O-CB 3.3Å; A215-C219 WeakPolarHBondContact O-CB 3.38Å; A215-C219 PolarHBondContact O-N 3.34Å; G216-C219 WeakPolarHBondContact O-CB 3.47Å; G216-C219 PolarHBondContact O-N 3.21Å; C219-S223 WeakPolarHBondContact O-CB 3.28Å; C219-S223 PolarHBondContact O-N 2.83Å; C219-S223 PolarHBondContact O-OG 3.2Å
220Y95Very high94.7Very high50 Ų5065.3 Ų65.320%0.19636%0.359CS..Hα-helixtrans-59.1-49.9173.2166.2-111.7000112.3V176 A177 C180 G216 L217 I218 I222 S223 Y224V176-Y220 HydrophobicContact CG1-CD2 4.09Å; V176-Y220 HydrophobicContact CG1-CE2 4.27Å; A177-Y220 HydrophobicContact CB-CD2 4.3Å; A177-Y220 HydrophobicContact CB-CE2 3.73Å; C180-Y220 HydrophobicContact CB-CD2 4.38Å; G216-Y220 PolarHBondContact O-N 3.1Å; L217-Y220 HydrophobicContact CD1-CD1 4.32Å; L217-Y220 WeakPolarHBondContact O-CB 3.34Å; L217-Y220 PolarHBondContact O-N 3.17Å; I218-Y220 VanDerWaalsContact C-N 3.28Å; I218-Y220 PolarHBondContact O-N 3.15Å; Y220-I222 PolarHBondContact O-N 3.42Å; Y220-S223 PolarHBondContact O-N 3.17Å; Y220-Y224 HydrophobicContact CE2-CD2 4.05Å; Y220-Y224 HydrophobicContact CE2-CG 4.45Å; Y220-Y224 WeakPolarHBondContact O-CB 3.37Å; Y220-Y224 PolarHBondContact O-N 2.84Å
221Y92.2Very high94.8Very high90 Ų9060.2 Ų60.235%0.35333%0.332SS..Hα-helixtrans-62.1-45.7179.9-67.2-41.3000112.4L217 I218 S223 Y224 D225L217-Y221 HydrophobicContact CD1-CE1 4.41Å; L217-Y221 HydrophobicContact CD1-CE2 3.9Å; L217-Y221 HydrophobicContact CD2-CE2 4.19Å; L217-Y221 HydrophobicContact CG-CD2 4.31Å; L217-Y221 HydrophobicContact CG-CE2 3.72Å; L217-Y221 WeakPolarHBondContact O-CD2 3.45Å; L217-Y221 PolarHBondContact O-N 2.87Å; L217-Y221 VanDerWaalsContact O-N 3.08Å; I218-Y221 PolarHBondContact O-N 3.17Å; I218-Y221 VanDerWaalsContact O-N 3.17Å; Y221-S223 PolarHBondContact O-N 3.19Å; Y221-Y224 PolarHBondContact O-N 3.29Å; Y221-D225 WeakPolarHBondContact O-CB 3.42Å; Y221-D225 VanDerWaalsContact O-CG 3.27Å; Y221-D225 PolarHBondContact O-N 2.68Å
222I92.5Very high94.7Very high114 Ų11456.2 Ų56.259%0.58531%0.312SS*.Hα-helixtrans-61.9-46.9178.1-65.7170.6000110.5I218 Y220 Y224 D225 A226I218-I222 HydrophobicContact CG2-CD1 3.76Å; I218-I222 HydrophobicContact CG2-CG1 4.41Å; I218-I222 WeakPolarHBondContact O-CG1 3.17Å; I218-I222 PolarHBondContact O-N 2.71Å; Y220-I222 PolarHBondContact O-N 3.42Å; I222-Y224 PolarHBondContact O-N 2.64Å; I222-D225 PolarHBondContact O-N 3.33Å; I222-A226 WeakPolarHBondContact O-CB 3.48Å; I222-A226 PolarHBondContact O-N 3.29Å
223S95.3Very high94.8Very high39 Ų3955.9 Ų55.927%0.27331%0.312SS..Hα-helixtrans-65.3-41.3-178.8-57.70000111.6C219 Y220 Y221 A226 V227C219-S223 WeakPolarHBondContact O-CB 3.28Å; C219-S223 PolarHBondContact O-N 2.83Å; C219-S223 PolarHBondContact O-OG 3.2Å; Y220-S223 PolarHBondContact O-N 3.17Å; Y221-S223 PolarHBondContact O-N 3.19Å; S223-A226 PolarHBondContact O-N 2.94Å; S223-V227 WeakPolarHBondContact O-CB 3.41Å; S223-V227 VanDerWaalsContact O-CG2 3.24Å; S223-V227 WeakPolarHBondContact O-CG2 3.42Å; S223-V227 PolarHBondContact O-N 2.91Å
224Y93.6Very high94.9Very high46 Ų4657.3 Ų57.318%0.1831%0.308CS..Hα-helixtrans-65.2-47.4178.9-174.7-82.7000111.5N173 V176 Y220 Y221 I222 A226 V227 T228N173-Y224 PolarHBondContact ND2-OH 3.28Å; N173-Y224 WeakPolarHBondContact OD1-CE2 3.48Å; V176-Y224 HydrophobicContact CB-CD2 4.37Å; V176-Y224 HydrophobicContact CG1-CD2 4.49Å; Y220-Y224 HydrophobicContact CE2-CD2 4.05Å; Y220-Y224 HydrophobicContact CE2-CG 4.45Å; Y220-Y224 WeakPolarHBondContact O-CB 3.37Å; Y220-Y224 PolarHBondContact O-N 2.84Å; Y221-Y224 PolarHBondContact O-N 3.29Å; I222-Y224 PolarHBondContact O-N 2.64Å; Y224-A226 VanDerWaalsContact C-N 3.34Å; Y224-V227 PolarHBondContact O-N 3.31Å; Y224-T228 WeakPolarHBondContact CE1-OG1 3.35Å; Y224-T228 VanDerWaalsContact O-CB 3.31Å; Y224-T228 WeakPolarHBondContact O-CB 3.48Å; Y224-T228 PolarHBondContact O-N 3.02Å; Y224-T228 PolarHBondContact O-OG1 3.41Å
225D91.7Very high95Very high29 Ų2953.8 Ų53.816%0.15529%0.287CS..Hα-helixtrans-66-39.4179.6-68.10.8000110.1Y221 I222 T228 Y229 R289 I290Y221-D225 WeakPolarHBondContact O-CB 3.42Å; Y221-D225 VanDerWaalsContact O-CG 3.27Å; Y221-D225 PolarHBondContact O-N 2.68Å; I222-D225 PolarHBondContact O-N 3.33Å; D225-T228 PolarHBondContact O-N 2.73Å; D225-Y229 WeakPolarHBondContact O-CB 3.47Å; D225-Y229 PolarHBondContact O-N 2.92Å; D225-R289 IonicContact OD1-CZ 2.82Å; D225-R289 IonicContact OD1-NE 2.64Å; D225-R289 PolarHBondContact OD1-NE 3.34Å; D225-R289 VanDerWaalsContact OD1-NE 3.1Å; D225-R289 IonicContact OD1-NH2 3.88Å; D225-R289 WeakPolarHBondContact OD2-CG 3.37Å; D225-I290 VanDerWaalsContact CG-O 3.27Å; D225-I290 PolarHBondContact OD2-N 3.35Å
226A93.4Very high95.1Very high53 Ų5351.3 Ų51.344%0.43827%0.266SS..Hα-helixtrans-66.4-42.3176.100000113.3I222 S223 Y224 Y229 H230I222-A226 WeakPolarHBondContact O-CB 3.48Å; I222-A226 PolarHBondContact O-N 3.29Å; S223-A226 PolarHBondContact O-N 2.94Å; Y224-A226 VanDerWaalsContact C-N 3.34Å; A226-Y229 PolarHBondContact O-N 3.43Å; A226-H230 WeakPolarHBondContact O-CB 3.22Å; A226-H230 PolarHBondContact O-N 3.49Å
227V95.8Very high95.2Very high46 Ų4656.3 Ų56.328%0.27928%0.282SS..Hα-helixtrans-66.3-46175.8167.10000110.2V176 S223 Y224 Y229 H230 L231V176-V227 HydrophobicContact CG2-CB 3.95Å; V176-V227 HydrophobicContact CG2-CG1 3.93Å; V176-V227 HydrophobicContact CG2-CG2 3.9Å; S223-V227 WeakPolarHBondContact O-CB 3.41Å; S223-V227 VanDerWaalsContact O-CG2 3.24Å; S223-V227 WeakPolarHBondContact O-CG2 3.42Å; S223-V227 PolarHBondContact O-N 2.91Å; Y224-V227 PolarHBondContact O-N 3.31Å; V227-Y229 VanDerWaalsContact C-N 3.31Å; V227-Y229 PolarHBondContact O-N 3.2Å; V227-H230 PolarHBondContact O-N 2.87Å; V227-L231 HydrophobicContact CG1-CD1 3.62Å; V227-L231 HydrophobicContact CG1-CG 4.14Å; V227-L231 WeakPolarHBondContact O-CB 3.25Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.23Å
228T93.2Very high95.3Very high24 Ų2454.9 Ų54.915%0.14728%0.275CS..Hα-helixtrans-57.1-47.7176.1-59.70000110.6Y224 D225 H230 L231 D232Y224-T228 WeakPolarHBondContact CE1-OG1 3.35Å; Y224-T228 VanDerWaalsContact O-CB 3.31Å; Y224-T228 WeakPolarHBondContact O-CB 3.48Å; Y224-T228 PolarHBondContact O-N 3.02Å; Y224-T228 PolarHBondContact O-OG1 3.41Å; D225-T228 PolarHBondContact O-N 2.73Å; T228-H230 PolarHBondContact O-N 3.33Å; T228-L231 PolarHBondContact O-N 2.87Å; T228-D232 VanDerWaalsContact O-CB 3.31Å; T228-D232 WeakPolarHBondContact O-CB 3.37Å; T228-D232 PolarHBondContact O-N 2.82Å
229Y94.3Very high95.5Very high87 Ų8750.6 Ų50.634%0.34125%0.253SS..Hα-helixtrans-55.7-48.1175.6172-89.4000112.9D225 A226 V227 C233 T293 Y297D225-Y229 WeakPolarHBondContact O-CB 3.47Å; D225-Y229 PolarHBondContact O-N 2.92Å; A226-Y229 PolarHBondContact O-N 3.43Å; V227-Y229 VanDerWaalsContact C-N 3.31Å; V227-Y229 PolarHBondContact O-N 3.2Å; Y229-C233 WeakPolarHBondContact O-CB 3.27Å; Y229-C233 PolarHBondContact O-N 3.41Å; Y229-C233 PolarHBondContact O-SG 3.34Å; Y229-T293 WeakPolarHBondContact CA-OG1 3.49Å; Y229-T293 HydrophobicContact CD2-CG2 3.64Å; Y229-T293 HydrophobicContact CE2-CG2 3.97Å; Y229-Y297 AromaticContact CE2-CD1 3.9Å; Y229-Y297 HydrophobicContact CE2-CD1 3.9Å; Y229-Y297 AromaticContact CE2-CE1 3.9Å; Y229-Y297 HydrophobicContact CE2-CE1 3.9Å; Y229-Y297 AromaticContact CZ-CE1 3.65Å; Y229-Y297 WeakPolarHBondContact OH-CE1 3.47Å; Y229-Y297 PolarHBondContact OH-OH 3.02Å
230H96Very high95.7Very high114 Ų11447.6 Ų47.653%0.52823%0.232SC..Hα-helixtrans-63.3-46.1179.3177.872.4000111.9A226 V227 T228 C233 K234A226-H230 WeakPolarHBondContact O-CB 3.22Å; A226-H230 PolarHBondContact O-N 3.49Å; V227-H230 PolarHBondContact O-N 2.87Å; T228-H230 PolarHBondContact O-N 3.33Å; H230-C233 PolarHBondContact O-N 2.9Å; H230-K234 WeakPolarHBondContact O-CB 3.44Å; H230-K234 PolarHBondContact O-N 3.45Å
231L96.4Very high95.8Very high13 Ų1348.5 Ų48.57%0.06824%0.243CC..Hα-helixtrans-65.1-41.6-179.3-65.6172.7000111.6Y164 A172 N173 V227 T228 K234 A235Y164-L231 HydrophobicContact CE2-CB 4.1Å; A172-L231 HydrophobicContact CB-CD1 4.16Å; A172-L231 HydrophobicContact CB-CD2 4.24Å; N173-L231 HydrophobicContact CB-CD1 4.07Å; V227-L231 HydrophobicContact CG1-CD1 3.62Å; V227-L231 HydrophobicContact CG1-CG 4.14Å; V227-L231 WeakPolarHBondContact O-CB 3.25Å; V227-L231 WeakPolarHBondContact O-CG 3.41Å; V227-L231 PolarHBondContact O-N 3.23Å; T228-L231 PolarHBondContact O-N 2.87Å; L231-K234 PolarHBondContact O-N 3.32Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 3.29Å
232D95.4Very high96.1Very high23 Ų2346.8 Ų46.812%0.12324%0.24CC..Hα-helixtrans-58.7-51.9174.3-94.3-32.4000112.1R160 T228 K234 A235 D236 T293 R298R160-D232 IonicContact NH2-OD1 3.94Å; T228-D232 VanDerWaalsContact O-CB 3.31Å; T228-D232 WeakPolarHBondContact O-CB 3.37Å; T228-D232 PolarHBondContact O-N 2.82Å; D232-K234 VanDerWaalsContact C-N 3.32Å; D232-K234 PolarHBondContact O-N 3.46Å; D232-A235 PolarHBondContact O-N 3.46Å; D232-D236 PolarHBondContact O-N 2.94Å; D232-T293 HydrophobicContact CB-CG2 4.4Å; D232-T293 WeakPolarHBondContact CB-OG1 3.15Å; D232-T293 WeakPolarHBondContact OD2-CB 3.41Å; D232-T293 PolarHBondContact OD2-OG1 2.89Å; D232-R298 VanDerWaalsContact CG-CZ 3.47Å; D232-R298 PolarHBondContact O-NH2 3.08Å; D232-R298 VanDerWaalsContact O-NH2 3.09Å; D232-R298 IonicContact OD1-CZ 3.79Å; D232-R298 VanDerWaalsContact OD1-CZ 3.29Å; D232-R298 IonicContact OD1-NH1 3.79Å; D232-R298 PolarHBondContact OD1-NH1 2.97Å; D232-R298 IonicContact OD1-NH2 2.9Å; D232-R298 PolarHBondContact OD1-NH2 3.17Å; D232-R298 IonicContact OD2-CZ 3.17Å; D232-R298 IonicContact OD2-NH1 3.91Å; D232-R298 PolarHBondContact OD2-NH1 3.47Å
233C96.9Very high96.3Very high16 Ų1643.2 Ų43.211%0.10823%0.225CC..Hα-helixtrans-66.5-37-179.2-66.30000111.5Y229 H230 R237 L301Y229-C233 WeakPolarHBondContact O-CB 3.27Å; Y229-C233 PolarHBondContact O-N 3.41Å; Y229-C233 PolarHBondContact O-SG 3.34Å; H230-C233 PolarHBondContact O-N 2.9Å; C233-R237 WeakPolarHBondContact O-CB 3.36Å; C233-R237 PolarHBondContact O-N 2.89Å; C233-L301 HydrophobicContact CB-CD2 3.95Å
234K97.8Very high96.5Very high82 Ų8246.6 Ų46.636%0.35724%0.235SC..Hα-helixtrans-65.4-44.7177.1-176.2177.6179.5-179.40111.3H230 L231 D232 R237 N238H230-K234 WeakPolarHBondContact O-CB 3.44Å; H230-K234 PolarHBondContact O-N 3.45Å; L231-K234 PolarHBondContact O-N 3.32Å; D232-K234 VanDerWaalsContact C-N 3.32Å; D232-K234 PolarHBondContact O-N 3.46Å; K234-R237 PolarHBondContact O-N 2.7Å; K234-N238 VanDerWaalsContact O-CB 3.31Å; K234-N238 WeakPolarHBondContact O-CB 3.37Å; K234-N238 VanDerWaalsContact O-CG 3.23Å; K234-N238 PolarHBondContact O-N 3.3Å; K234-N238 PolarHBondContact O-OD1 2.99Å
235A97.9Very high96.7Very high1 Ų148.1 Ų48.11%0.00825%0.246CC..Hα-helixtrans-62-46.117700000111.7Y164 L231 D232 A239Y164-A235 HydrophobicContact CD2-CB 4.48Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 3.29Å; D232-A235 PolarHBondContact O-N 3.46Å; A235-A239 WeakPolarHBondContact O-CB 3.3Å; A235-A239 PolarHBondContact O-N 2.96Å
236D98.4Very high97Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-64.3-44.7177.1-71.2-15.7000112.8F156 R160 D232 A239 A240 Y254 R298 I302F156-D236 HydrophobicContact CZ-CB 4.25Å; R160-D236 IonicContact CZ-OD1 3.88Å; R160-D236 IonicContact NE-OD1 3.21Å; R160-D236 PolarHBondContact NE-OD1 3.43Å; R160-D236 IonicContact NH2-OD1 3.75Å; D232-D236 PolarHBondContact O-N 2.94Å; D236-A239 PolarHBondContact O-N 3.42Å; D236-A240 VanDerWaalsContact O-CB 3.28Å; D236-A240 WeakPolarHBondContact O-CB 3.27Å; D236-A240 PolarHBondContact O-N 3.44Å; D236-Y254 PolarHBondContact OD1-OH 3.11Å; D236-Y254 PolarHBondContact OD2-OH 3.17Å; D236-R298 IonicContact OD1-CZ 3.28Å; D236-R298 IonicContact OD1-NE 3.03Å; D236-R298 IonicContact OD1-NH2 3.29Å; D236-R298 PolarHBondContact OD1-NH2 3.36Å; D236-R298 IonicContact OD2-CZ 3.77Å; D236-R298 IonicContact OD2-NE 2.99Å; D236-R298 PolarHBondContact OD2-NE 3.24Å; D236-R298 IonicContact OD2-NH2 3.92Å; D236-R298 PolarHBondContact OD2-NH2 3.39Å; D236-I302 HydrophobicContact CB-CD1 4.27Å
237R98.4Very high97.2Very high115 Ų11544.6 Ų44.643%0.43422%0.219SC..Hα-helixtrans-58.1-52.8178.4178.4172.9-167108.76.7109.8C233 K234 A239 A240 T241 I305C233-R237 WeakPolarHBondContact O-CB 3.36Å; C233-R237 PolarHBondContact O-N 2.89Å; K234-R237 PolarHBondContact O-N 2.7Å; R237-A239 VanDerWaalsContact C-N 3.33Å; R237-A239 PolarHBondContact O-N 2.98Å; R237-A240 PolarHBondContact O-N 3.39Å; R237-T241 HydrophobicContact CG-CG2 4.37Å; R237-T241 VanDerWaalsContact O-CG2 3.28Å; R237-T241 WeakPolarHBondContact O-CG2 3.48Å; R237-T241 PolarHBondContact O-N 3.12Å; R237-T241 PolarHBondContact O-OG1 3.13Å; R237-I305 HydrophobicContact CB-CD1 4.09Å; R237-I305 HydrophobicContact CG-CD1 3.78Å
238N98.3Very high97.4Very high57 Ų5748 Ų4831%0.30523%0.227SC..Hα-helixtrans-60.1-42.9-179.5-76.215.1000111.9V163 N167 K234 T241V163-N238 HydrophobicContact CG1-CB 3.55Å; N167-N238 PolarHBondContact ND2-ND2 2.98Å; K234-N238 VanDerWaalsContact O-CB 3.31Å; K234-N238 WeakPolarHBondContact O-CB 3.37Å; K234-N238 VanDerWaalsContact O-CG 3.23Å; K234-N238 PolarHBondContact O-N 3.3Å; K234-N238 PolarHBondContact O-OD1 2.99Å; N238-T241 WeakPolarHBondContact CA-OG1 3.49Å; N238-T241 PolarHBondContact O-N 3.3Å; N238-T241 PolarHBondContact O-OG1 3.46Å
239A98.6Very high97.6Very high0 Ų046.9 Ų46.90%022%0.22CC..Hα-helixtrans-64.3-44.6176.600000111.9F156 A159 R160 A235 D236 R237 T241 I242 Y246F156-A239 HydrophobicContact CD2-CB 4.02Å; F156-A239 HydrophobicContact CE2-CB 3.8Å; A159-A239 HydrophobicContact CB-CB 3.91Å; R160-A239 HydrophobicContact CB-CB 4.03Å; A235-A239 WeakPolarHBondContact O-CB 3.3Å; A235-A239 PolarHBondContact O-N 2.96Å; D236-A239 PolarHBondContact O-N 3.42Å; R237-A239 VanDerWaalsContact C-N 3.33Å; R237-A239 PolarHBondContact O-N 2.98Å; A239-T241 VanDerWaalsContact C-N 3.3Å; A239-T241 PolarHBondContact O-N 2.92Å; A239-I242 WeakPolarHBondContact O-CB 3.39Å; A239-I242 WeakPolarHBondContact O-CD1 3.36Å; A239-I242 WeakPolarHBondContact O-CG1 3.39Å; A239-I242 PolarHBondContact O-N 3.42Å; A239-Y246 VanDerWaalsContact O-CB 3.28Å; A239-Y246 WeakPolarHBondContact O-CB 3.2Å
240A98.5Very high97.8Very high0 Ų042.8 Ų42.80%020%0.204CC..Hα-helixtrans-65.5-32.5177.900000112.6F156 D236 R237 I242 S243 A247 I302 I305F156-A240 HydrophobicContact CE2-CB 4.02Å; D236-A240 VanDerWaalsContact O-CB 3.28Å; D236-A240 WeakPolarHBondContact O-CB 3.27Å; D236-A240 PolarHBondContact O-N 3.44Å; R237-A240 PolarHBondContact O-N 3.39Å; A240-I242 VanDerWaalsContact C-N 3.25Å; A240-I242 PolarHBondContact O-N 3.46Å; A240-S243 VanDerWaalsContact O-O 3.1Å; A240-A247 HydrophobicContact CB-CB 4.3Å; A240-I302 HydrophobicContact CB-CG1 4.16Å; A240-I302 HydrophobicContact CB-CG2 3.9Å; A240-I305 HydrophobicContact CB-CD1 4.09Å; A240-I305 HydrophobicContact CB-CG2 4.22Å
241T98.1Very high97.9Very high70 Ų7038.4 Ų38.443%0.42919%0.185SC..THydrogen-bonded Turntrans-77.3-5179.652.50000114.4R237 N238 A239 I305R237-T241 HydrophobicContact CG-CG2 4.37Å; R237-T241 VanDerWaalsContact O-CG2 3.28Å; R237-T241 WeakPolarHBondContact O-CG2 3.48Å; R237-T241 PolarHBondContact O-N 3.12Å; R237-T241 PolarHBondContact O-OG1 3.13Å; N238-T241 WeakPolarHBondContact CA-OG1 3.49Å; N238-T241 PolarHBondContact O-N 3.3Å; N238-T241 PolarHBondContact O-OG1 3.46Å; A239-T241 VanDerWaalsContact C-N 3.3Å; A239-T241 PolarHBondContact O-N 2.92Å; T241-I305 HydrophobicContact CG2-CG2 3.91Å
242I97.8Very high98Very high53 Ų5340 Ų4027%0.27219%0.192SC..THydrogen-bonded Turntrans-59.6-48.5176.5-66.4171.1000110.3D72 T73 A159 A239 A240 Y246D72-I242 HydrophobicContact CB-CG2 4.09Å; T73-I242 HydrophobicContact CG2-CD1 3.63Å; A159-I242 HydrophobicContact CB-CD1 3.93Å; A239-I242 WeakPolarHBondContact O-CB 3.39Å; A239-I242 WeakPolarHBondContact O-CD1 3.36Å; A239-I242 WeakPolarHBondContact O-CG1 3.39Å; A239-I242 PolarHBondContact O-N 3.42Å; A240-I242 VanDerWaalsContact C-N 3.25Å; A240-I242 PolarHBondContact O-N 3.46Å; I242-Y246 HydrophobicContact CB-CD1 4.39Å; I242-Y246 HydrophobicContact CB-CD2 3.86Å; I242-Y246 HydrophobicContact CB-CE2 4.29Å; I242-Y246 HydrophobicContact CB-CG 3.91Å; I242-Y246 HydrophobicContact CD1-CD1 4.02Å; I242-Y246 HydrophobicContact CD1-CE1 4Å; I242-Y246 HydrophobicContact CD1-CG 4.41Å; I242-Y246 HydrophobicContact CG2-CD2 3.58Å; I242-Y246 HydrophobicContact CG2-CE2 3.61Å; I242-Y246 HydrophobicContact CG2-CG 4.15Å
243S97.5Very high98.2Very high40 Ų4039 Ų3928%0.2819%0.187SC..  trans-160.9169.1174.886.50000111.2A240 D245 Y246 A247A240-S243 VanDerWaalsContact O-O 3.1Å; S243-D245 PolarHBondContact O-N 3.32Å; S243-D245 PolarHBondContact OG-N 3.42Å; S243-Y246 WeakPolarHBondContact O-CB 3.15Å; S243-Y246 PolarHBondContact O-N 3.34Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; S243-Y246 WeakPolarHBondContact OG-CD2 3.5Å; S243-Y246 PolarHBondContact OG-N 3.09Å; S243-A247 PolarHBondContact O-N 2.97Å
244K97.6Very high98.2Very high109 Ų10938.2 Ų38.247%0.47418%0.182SC..Hα-helixtrans-58.1-34.9174-172.6175.8-179.1173.80112.7A247 R248 L306K244-A247 PolarHBondContact O-N 3.44Å; K244-R248 PolarHBondContact O-N 3.31Å; K244-L306 HydrophobicContact CG-CD1 4Å
245D98.1Very high98.2Very high78 Ų7837.4 Ų37.442%0.41718%0.181SC..Hα-helixtrans-68.2-41.1177.5-69.2-38.5000111.1E152 S243 A247 R248 G249E152-D245 HydrophobicContact CG-CB 3.9Å; S243-D245 PolarHBondContact O-N 3.32Å; S243-D245 PolarHBondContact OG-N 3.42Å; D245-A247 PolarHBondContact O-N 2.93Å; D245-R248 PolarHBondContact O-N 3.06Å; D245-R248 IonicContact OD1-CZ 3.83Å; D245-R248 IonicContact OD1-NH1 2.87Å; D245-R248 IonicContact OD1-NH2 2.77Å; D245-R248 PolarHBondContact OD1-NH2 3.27Å; D245-G249 PolarHBondContact O-N 3.3Å
246Y98.4Very high98.2Very high8 Ų839.5 Ų39.53%0.03119%0.19CC..Hα-helixtrans-61.7-42.3172.9-83.4-94.3000112.2V69 D72 K155 F156 A159 A239 I242 S243 G249 G250V69-Y246 WeakPolarHBondContact CG2-OH 3.47Å; D72-Y246 HydrophobicContact CB-CE2 4.11Å; D72-Y246 VanDerWaalsContact CB-OH 3.32Å; D72-Y246 WeakPolarHBondContact CB-OH 3.29Å; D72-Y246 WeakPolarHBondContact OD2-CE2 3.28Å; D72-Y246 PolarHBondContact OD2-OH 3.32Å; K155-Y246 HydrophobicContact CB-CD1 4.45Å; K155-Y246 HydrophobicContact CB-CE1 3.74Å; K155-Y246 WeakPolarHBondContact O-CE1 3.1Å; F156-Y246 HydrophobicContact CB-CD1 4.31Å; F156-Y246 VanDerWaalsContact CD2-O 3.31Å; F156-Y246 WeakPolarHBondContact CD2-O 3.5Å; A159-Y246 HydrophobicContact CB-CD1 3.98Å; A159-Y246 HydrophobicContact CB-CE1 3.54Å; A239-Y246 VanDerWaalsContact O-CB 3.28Å; A239-Y246 WeakPolarHBondContact O-CB 3.2Å; I242-Y246 HydrophobicContact CB-CD1 4.39Å; I242-Y246 HydrophobicContact CB-CD2 3.86Å; I242-Y246 HydrophobicContact CB-CE2 4.29Å; I242-Y246 HydrophobicContact CB-CG 3.91Å; I242-Y246 HydrophobicContact CD1-CD1 4.02Å; I242-Y246 HydrophobicContact CD1-CE1 4Å; I242-Y246 HydrophobicContact CD1-CG 4.41Å; I242-Y246 HydrophobicContact CG2-CD2 3.58Å; I242-Y246 HydrophobicContact CG2-CE2 3.61Å; I242-Y246 HydrophobicContact CG2-CG 4.15Å; S243-Y246 WeakPolarHBondContact O-CB 3.15Å; S243-Y246 PolarHBondContact O-N 3.34Å; S243-Y246 VanDerWaalsContact O-N 3.16Å; S243-Y246 WeakPolarHBondContact OG-CD2 3.5Å; S243-Y246 PolarHBondContact OG-N 3.09Å; Y246-G249 PolarHBondContact O-N 3.36Å; Y246-G250 PolarHBondContact O-N 3.35Å
247A98.6Very high98.1Very high0 Ų039.7 Ų39.70%019%0.191CC..Hα-helixtrans-62.9-45.5175.600000111.9A240 S243 K244 D245 G249 G250 V251 I302 L306 L309A240-A247 HydrophobicContact CB-CB 4.3Å; S243-A247 PolarHBondContact O-N 2.97Å; K244-A247 PolarHBondContact O-N 3.44Å; D245-A247 PolarHBondContact O-N 2.93Å; A247-G249 PolarHBondContact O-N 3.3Å; A247-G250 PolarHBondContact O-N 3.12Å; A247-V251 PolarHBondContact O-N 2.95Å; A247-V251 VanDerWaalsContact O-N 3.15Å; A247-I302 HydrophobicContact CB-CG2 4.46Å; A247-I302 VanDerWaalsContact O-CG2 3.23Å; A247-I302 WeakPolarHBondContact O-CG2 3.42Å; A247-L306 HydrophobicContact CB-CB 4.06Å; A247-L306 HydrophobicContact CB-CD1 3.9Å; A247-L309 HydrophobicContact CB-CD1 4.04Å
248R98.5Very high98Very high119 Ų11934.2 Ų34.245%0.44917%0.171SC..Hα-helixtrans-59.3-47.4174.8-178.417668.6-147.7-6.9111.3E152 K244 D245 G250 V251 E252E152-R248 IonicContact OE1-CZ 3.77Å; E152-R248 IonicContact OE1-NH2 3.44Å; E152-R248 PolarHBondContact OE1-NH2 3.05Å; K244-R248 PolarHBondContact O-N 3.31Å; D245-R248 PolarHBondContact O-N 3.06Å; D245-R248 IonicContact OD1-CZ 3.83Å; D245-R248 IonicContact OD1-NH1 2.87Å; D245-R248 IonicContact OD1-NH2 2.77Å; D245-R248 PolarHBondContact OD1-NH2 3.27Å; R248-G250 VanDerWaalsContact C-N 3.28Å; R248-G250 PolarHBondContact O-N 3.25Å; R248-V251 PolarHBondContact O-N 3.45Å; R248-E252 PolarHBondContact O-N 3.45Å; R248-E252 VanDerWaalsContact O-N 3.16Å
249G98.3Very high98Very high0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-58.8-38.717600000112.7A153 D245 Y246 A247 E252 F253A153-G249 WeakPolarHBondContact CA-O 3.28Å; A153-G249 WeakPolarHBondContact CB-O 2.74Å; D245-G249 PolarHBondContact O-N 3.3Å; Y246-G249 PolarHBondContact O-N 3.36Å; A247-G249 PolarHBondContact O-N 3.3Å; G249-E252 PolarHBondContact O-N 3.34Å; G249-F253 VanDerWaalsContact O-CB 3.28Å; G249-F253 WeakPolarHBondContact O-CB 3.41Å; G249-F253 PolarHBondContact O-N 3.06Å
250G98.4Very high97.8Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-67.5-37.1177.900000114.5Y246 A247 R248 Y254Y246-G250 PolarHBondContact O-N 3.35Å; A247-G250 PolarHBondContact O-N 3.12Å; R248-G250 VanDerWaalsContact C-N 3.28Å; R248-G250 PolarHBondContact O-N 3.25Å; G250-Y254 WeakPolarHBondContact O-CD2 3.36Å; G250-Y254 PolarHBondContact O-N 2.99Å
251V98.6Very high97.6Very high23 Ų2334.5 Ų34.514%0.13917%0.174CC..Hα-helixtrans-62.3-51.2171.8179.30000110.1A247 R248 F253 Y254 D255 R299 I302 V303 L306A247-V251 PolarHBondContact O-N 2.95Å; A247-V251 VanDerWaalsContact O-N 3.15Å; R248-V251 PolarHBondContact O-N 3.45Å; V251-F253 VanDerWaalsContact C-N 3.33Å; V251-F253 PolarHBondContact O-N 3.05Å; V251-Y254 PolarHBondContact O-N 2.96Å; V251-D255 PolarHBondContact O-N 3.34Å; V251-R299 HydrophobicContact CG1-CG 4.35Å; V251-I302 HydrophobicContact CG2-CB 4.38Å; V251-I302 HydrophobicContact CG2-CG2 3.84Å; V251-V303 HydrophobicContact CG1-CG2 3.95Å; V251-V303 HydrophobicContact CG2-CG2 3.72Å; V251-L306 HydrophobicContact CG2-CD2 4.15Å
252E98.4Very high97.5Very high46 Ų4636.3 Ų36.322%0.21517%0.174CC..Hα-helixtrans-58.7-44.9178.8-178.4-170.3148.900111.9S150 A153 R248 G249 Y254 D255 K256S150-E252 WeakPolarHBondContact CB-OE1 3.32Å; S150-E252 WeakPolarHBondContact CB-OE2 3.34Å; S150-E252 PolarHBondContact N-OE1 3.47Å; S150-E252 PolarHBondContact OG-OE1 2.94Å; S150-E252 PolarHBondContact OG-OE2 3.33Å; A153-E252 HydrophobicContact CB-CB 4.19Å; A153-E252 HydrophobicContact CB-CG 4.2Å; R248-E252 PolarHBondContact O-N 3.45Å; R248-E252 VanDerWaalsContact O-N 3.16Å; G249-E252 PolarHBondContact O-N 3.34Å; E252-Y254 PolarHBondContact O-N 2.99Å; E252-D255 PolarHBondContact O-N 3.45Å; E252-K256 HydrophobicContact CG-CD 4.04Å; E252-K256 HydrophobicContact CG-CG 4.4Å; E252-K256 WeakPolarHBondContact O-CB 3.46Å; E252-K256 PolarHBondContact O-N 2.86Å; E252-K256 WeakPolarHBondContact OE1-CE 3.41Å; E252-K256 IonicContact OE1-NZ 3.87Å; E252-K256 PolarHBondContact OE1-NZ 2.88Å
253F98.1Very high97.4Very high1 Ų134.6 Ų34.60%0.00417%0.165CC..Hα-helixtrans-55.4-49.4-179.5173.3-108.5000111.8H90 F149 A153 F156 A157 G249 V251 K256 I257H90-F253 HydrophobicContact CB-CE2 4.41Å; H90-F253 HydrophobicContact CB-CZ 4.29Å; F149-F253 HydrophobicContact CD1-CD2 4.06Å; F149-F253 AromaticContact CE1-CD2 3.6Å; F149-F253 HydrophobicContact CE1-CD2 3.6Å; F149-F253 HydrophobicContact CE1-CE2 4.25Å; F149-F253 HydrophobicContact CE1-CG 4.48Å; F149-F253 HydrophobicContact CZ-CD2 4.26Å; F149-F253 HydrophobicContact CZ-CE2 4.48Å; A153-F253 HydrophobicContact CB-CB 4.28Å; F156-F253 HydrophobicContact CD1-CB 4.07Å; F156-F253 AromaticContact CD1-CD1 3.99Å; F156-F253 HydrophobicContact CD1-CD1 3.99Å; F156-F253 HydrophobicContact CD1-CG 4.19Å; F156-F253 AromaticContact CE1-CD1 3.83Å; F156-F253 HydrophobicContact CE1-CD1 3.83Å; F156-F253 HydrophobicContact CE1-CE1 4.47Å; F156-F253 HydrophobicContact CE1-CG 4.47Å; A157-F253 HydrophobicContact CB-CD2 3.57Å; A157-F253 HydrophobicContact CB-CE1 4.41Å; A157-F253 HydrophobicContact CB-CE2 3.39Å; A157-F253 HydrophobicContact CB-CG 4.16Å; A157-F253 HydrophobicContact CB-CZ 3.82Å; G249-F253 VanDerWaalsContact O-CB 3.28Å; G249-F253 WeakPolarHBondContact O-CB 3.41Å; G249-F253 PolarHBondContact O-N 3.06Å; V251-F253 VanDerWaalsContact C-N 3.33Å; V251-F253 PolarHBondContact O-N 3.05Å; F253-K256 PolarHBondContact O-N 2.86Å; F253-I257 HydrophobicContact CD1-CD1 4.02Å; F253-I257 HydrophobicContact CD2-CD1 4.36Å; F253-I257 HydrophobicContact CE1-CD1 3.43Å; F253-I257 VanDerWaalsContact CE1-CD1 3.43Å; F253-I257 HydrophobicContact CE2-CD1 3.81Å; F253-I257 HydrophobicContact CE2-CG1 4.42Å; F253-I257 HydrophobicContact CG-CD1 4.47Å; F253-I257 HydrophobicContact CZ-CD1 3.34Å; F253-I257 HydrophobicContact CZ-CG1 4.39Å; F253-I257 WeakPolarHBondContact O-CG1 3.44Å; F253-I257 PolarHBondContact O-N 3.37Å
254Y98.3Very high97.2Very high1 Ų133.4 Ų33.40%0.00416%0.155CC..Hα-helixtrans-72.9-35.7179.3-76.2-61.3000113.3F156 R160 D236 G250 V251 E252 K256 I257 L258 Y295 R298 R299 I302F156-Y254 HydrophobicContact CE1-CD2 4.49Å; F156-Y254 AromaticContact CE1-CE2 3.9Å; F156-Y254 HydrophobicContact CE1-CE2 3.9Å; F156-Y254 HydrophobicContact CZ-CE2 4.1Å; R160-Y254 PolarHBondContact NE-OH 3.45Å; R160-Y254 VanDerWaalsContact NE-OH 3.08Å; D236-Y254 PolarHBondContact OD1-OH 3.11Å; D236-Y254 PolarHBondContact OD2-OH 3.17Å; G250-Y254 WeakPolarHBondContact O-CD2 3.36Å; G250-Y254 PolarHBondContact O-N 2.99Å; V251-Y254 PolarHBondContact O-N 2.96Å; E252-Y254 PolarHBondContact O-N 2.99Å; Y254-K256 VanDerWaalsContact C-N 3.28Å; Y254-K256 PolarHBondContact O-N 2.98Å; Y254-I257 HydrophobicContact CD1-CD1 4.26Å; Y254-I257 HydrophobicContact CE1-CD1 4.42Å; Y254-I257 PolarHBondContact O-N 3.3Å; Y254-L258 WeakPolarHBondContact O-CB 3.4Å; Y254-L258 WeakPolarHBondContact O-CG 3.36Å; Y254-L258 PolarHBondContact O-N 3.43Å; Y254-Y295 AromaticContact CD1-CD1 3.82Å; Y254-Y295 HydrophobicContact CD1-CD1 3.82Å; Y254-Y295 HydrophobicContact CD1-CG 4.36Å; Y254-Y295 AromaticContact CE1-CD1 3.69Å; Y254-Y295 HydrophobicContact CE1-CD1 3.69Å; Y254-Y295 HydrophobicContact CE1-CE1 4.31Å; Y254-R298 HydrophobicContact CD1-CB 4.38Å; Y254-R298 HydrophobicContact CD2-CB 4.19Å; Y254-R298 HydrophobicContact CE1-CB 4.03Å; Y254-R298 HydrophobicContact CE2-CB 3.79Å; Y254-R298 HydrophobicContact CG-CB 4.47Å; Y254-R298 PolarHBondContact OH-NE 3.36Å; Y254-R298 PolarHBondContact OH-NH2 2.86Å; Y254-R299 HydrophobicContact CD2-CB 4.5Å; Y254-R299 HydrophobicContact CG-CB 4.32Å; Y254-I302 HydrophobicContact CD2-CD1 3.68Å; Y254-I302 HydrophobicContact CE2-CD1 3.51Å
255D98.3Very high97Very high65 Ų6530.8 Ų30.835%0.34814%0.142SC..Hα-helixtrans-61.5-39.2173.4-81.8-33000111.6V251 E252 L258 S259 R299V251-D255 PolarHBondContact O-N 3.34Å; E252-D255 PolarHBondContact O-N 3.45Å; D255-L258 PolarHBondContact O-N 3.23Å; D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 3.41Å; D255-R299 WeakPolarHBondContact OD1-CD 3.31Å; D255-R299 IonicContact OD1-CZ 2.7Å; D255-R299 IonicContact OD1-NE 2.92Å; D255-R299 IonicContact OD1-NH1 3.77Å; D255-R299 PolarHBondContact OD1-NH1 3.05Å
256K97.1Very high96.7Very high45 Ų4531.2 Ų31.220%0.19615%0.148CC..Hα-helixtrans-67.4-41.2174.3-79.9-174.6172.4167.50113T148 F149 E252 F253 Y254 L258 S259 R260T148-K256 WeakPolarHBondContact O-CD 3.34Å; T148-K256 WeakPolarHBondContact O-CE 3.49Å; T148-K256 PolarHBondContact O-NZ 2.78Å; F149-K256 HydrophobicContact CD1-CB 4.17Å; F149-K256 HydrophobicContact CD1-CD 3.73Å; F149-K256 HydrophobicContact CE1-CB 3.5Å; F149-K256 VanDerWaalsContact CE1-CB 3.5Å; F149-K256 HydrophobicContact CE1-CD 3.94Å; F149-K256 HydrophobicContact CE1-CG 4.31Å; F149-K256 HydrophobicContact CG-CD 4.32Å; F149-K256 HydrophobicContact CZ-CB 4.04Å; E252-K256 HydrophobicContact CG-CD 4.04Å; E252-K256 HydrophobicContact CG-CG 4.4Å; E252-K256 WeakPolarHBondContact O-CB 3.46Å; E252-K256 PolarHBondContact O-N 2.86Å; E252-K256 WeakPolarHBondContact OE1-CE 3.41Å; E252-K256 IonicContact OE1-NZ 3.87Å; E252-K256 PolarHBondContact OE1-NZ 2.88Å; F253-K256 PolarHBondContact O-N 2.86Å; Y254-K256 VanDerWaalsContact C-N 3.28Å; Y254-K256 PolarHBondContact O-N 2.98Å; K256-L258 PolarHBondContact O-N 3.46Å; K256-S259 PolarHBondContact O-N 3.24Å; K256-R260 VanDerWaalsContact O-CB 3.29Å; K256-R260 WeakPolarHBondContact O-CB 3.48Å; K256-R260 PolarHBondContact O-N 2.93Å
257I95.8Very high96.4Very high4 Ų433.3 Ų33.32%0.02116%0.159CC..Hα-helixtrans-58.7-47.4171.4-75.1175.9000111.3F253 Y254 R260 N261 Y295F253-I257 HydrophobicContact CD1-CD1 4.02Å; F253-I257 HydrophobicContact CD2-CD1 4.36Å; F253-I257 HydrophobicContact CE1-CD1 3.43Å; F253-I257 VanDerWaalsContact CE1-CD1 3.43Å; F253-I257 HydrophobicContact CE2-CD1 3.81Å; F253-I257 HydrophobicContact CE2-CG1 4.42Å; F253-I257 HydrophobicContact CG-CD1 4.47Å; F253-I257 HydrophobicContact CZ-CD1 3.34Å; F253-I257 HydrophobicContact CZ-CG1 4.39Å; F253-I257 WeakPolarHBondContact O-CG1 3.44Å; F253-I257 PolarHBondContact O-N 3.37Å; Y254-I257 HydrophobicContact CD1-CD1 4.26Å; Y254-I257 HydrophobicContact CE1-CD1 4.42Å; Y254-I257 PolarHBondContact O-N 3.3Å; I257-R260 PolarHBondContact O-N 2.69Å; I257-N261 WeakPolarHBondContact O-CB 3.23Å; I257-N261 PolarHBondContact O-N 2.91Å; I257-N261 PolarHBondContact O-OD1 3.42Å; I257-Y295 HydrophobicContact CG2-CD1 4.18Å; I257-Y295 HydrophobicContact CG2-CD2 3.62Å; I257-Y295 HydrophobicContact CG2-CE1 4.26Å; I257-Y295 HydrophobicContact CG2-CE2 3.71Å; I257-Y295 HydrophobicContact CG2-CG 3.87Å
258L97.4Very high96Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-63-44179.9-71.5168.3000110.9Y254 D255 K256 N261 R262 T296Y254-L258 WeakPolarHBondContact O-CB 3.4Å; Y254-L258 WeakPolarHBondContact O-CG 3.36Å; Y254-L258 PolarHBondContact O-N 3.43Å; D255-L258 PolarHBondContact O-N 3.23Å; K256-L258 PolarHBondContact O-N 3.46Å; L258-N261 PolarHBondContact O-N 3.3Å; L258-R262 WeakPolarHBondContact O-CG 3.37Å; L258-R262 PolarHBondContact O-N 3.33Å; L258-T296 HydrophobicContact CD1-CG2 3.94Å; L258-T296 HydrophobicContact CD2-CG2 3.86Å
259S97.2Very high95.6Very high46 Ų4631.2 Ų31.232%0.32216%0.164SC..Hα-helixtrans-60.2-52.6176-173.50000111.6D255 K256 N261 R262 I263D255-S259 WeakPolarHBondContact O-CB 3.35Å; D255-S259 PolarHBondContact O-N 3.41Å; K256-S259 PolarHBondContact O-N 3.24Å; S259-N261 VanDerWaalsContact C-N 3.28Å; S259-N261 PolarHBondContact O-N 3.31Å; S259-R262 WeakPolarHBondContact O-CB 3.45Å; S259-R262 PolarHBondContact O-N 2.86Å; S259-I263 WeakPolarHBondContact O-CD1 3.13Å; S259-I263 WeakPolarHBondContact O-CG1 3.44Å; S259-I263 PolarHBondContact O-N 2.88Å
260R94.8Very high95.3Very high15 Ų1540.2 Ų40.26%0.05720%0.204CC..Hα-helixtrans-51.9-48.6175.6-177.8-162.867.5-158.2-1.6111L143 A146 L147 K256 I257 R262 I263 L264L143-R260 HydrophobicContact CD1-CG 3.75Å; A146-R260 HydrophobicContact CB-CB 3.92Å; L147-R260 HydrophobicContact CD2-CG 4.1Å; K256-R260 VanDerWaalsContact O-CB 3.29Å; K256-R260 WeakPolarHBondContact O-CB 3.48Å; K256-R260 PolarHBondContact O-N 2.93Å; I257-R260 PolarHBondContact O-N 2.69Å; R260-R262 VanDerWaalsContact C-N 3.34Å; R260-R262 PolarHBondContact O-N 2.81Å; R260-I263 PolarHBondContact O-N 3.46Å; R260-L264 HydrophobicContact CG-CD1 4.01Å; R260-L264 HydrophobicContact CG-CG 4.36Å; R260-L264 WeakPolarHBondContact O-CB 3.36Å; R260-L264 VanDerWaalsContact O-CG 3.31Å; R260-L264 WeakPolarHBondContact O-CG 3.5Å; R260-L264 PolarHBondContact O-N 3.39Å
261N94.9Very high94.8Very high1 Ų144.6 Ų44.61%0.00522%0.224CC..Hα-helixtrans-64.9-35.1-178.3-71.7-1.7000112.6I257 L258 S259 R265 Y276 G280I257-N261 WeakPolarHBondContact O-CB 3.23Å; I257-N261 PolarHBondContact O-N 2.91Å; I257-N261 PolarHBondContact O-OD1 3.42Å; L258-N261 PolarHBondContact O-N 3.3Å; S259-N261 VanDerWaalsContact C-N 3.28Å; S259-N261 PolarHBondContact O-N 3.31Å; N261-R265 WeakPolarHBondContact O-CB 3.32Å; N261-R265 PolarHBondContact O-N 2.9Å; N261-Y276 HydrophobicContact CB-CD1 3.5Å; N261-Y276 VanDerWaalsContact CB-CD1 3.5Å; N261-Y276 HydrophobicContact CB-CE1 3.79Å; N261-Y276 HydrophobicContact CB-CG 4.22Å; N261-Y276 VanDerWaalsContact CG-CE1 3.47Å; N261-Y276 WeakPolarHBondContact OD1-CE1 3.32Å; N261-G280 WeakPolarHBondContact CB-O 3.28Å; N261-G280 PolarHBondContact ND2-O 2.87Å
262R96.1Very high94.4Very high109 Ų10943.5 Ų43.541%0.41122%0.217SC..Hα-helixtrans-66.8-39.9172.7-68.6173.1-160.1155.35.4111.8L258 S259 R260 R265 T266 S279L258-R262 WeakPolarHBondContact O-CG 3.37Å; L258-R262 PolarHBondContact O-N 3.33Å; S259-R262 WeakPolarHBondContact O-CB 3.45Å; S259-R262 PolarHBondContact O-N 2.86Å; R260-R262 VanDerWaalsContact C-N 3.34Å; R260-R262 PolarHBondContact O-N 2.81Å; R262-R265 VanDerWaalsContact O-CB 3.29Å; R262-R265 WeakPolarHBondContact O-CB 3.42Å; R262-R265 PolarHBondContact O-N 3.47Å; R262-T266 PolarHBondContact O-N 3.48Å; R262-T266 PolarHBondContact O-OG1 3.41Å; R262-S279 VanDerWaalsContact CZ-O 3.31Å; R262-S279 PolarHBondContact NE-O 3.41Å; R262-S279 PolarHBondContact NH2-O 2.89Å
263I95Very high94.1Very high17 Ų1744.5 Ų44.59%0.08723%0.226CC..Hα-helixtrans-66.6-46177.9-62.8156.1000110.2H139 A142 L143 A146 S259 R260 R265 T266 L267H139-I263 HydrophobicContact CB-CG2 4.49Å; A142-I263 VanDerWaalsContact C-CD1 3.48Å; A142-I263 HydrophobicContact CB-CD1 3.78Å; A142-I263 HydrophobicContact CB-CG1 4.27Å; A142-I263 WeakPolarHBondContact O-CD1 3.32Å; L143-I263 HydrophobicContact CB-CG2 3.94Å; L143-I263 HydrophobicContact CD1-CG2 4.26Å; A146-I263 HydrophobicContact CB-CD1 4.08Å; S259-I263 WeakPolarHBondContact O-CD1 3.13Å; S259-I263 WeakPolarHBondContact O-CG1 3.44Å; S259-I263 PolarHBondContact O-N 2.88Å; R260-I263 PolarHBondContact O-N 3.46Å; I263-R265 VanDerWaalsContact C-N 3.3Å; I263-R265 PolarHBondContact O-N 3.18Å; I263-T266 PolarHBondContact O-N 3.02Å; I263-T266 VanDerWaalsContact O-N 3.09Å; I263-L267 HydrophobicContact CG2-CD1 3.74Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.12Å
264L92.3Very high93.7Very high15 Ų1551.3 Ų51.38%0.07926%0.256CS..Hα-helixtrans-61.6-36.4174.5-68.3177.3000112.2I128 L143 R260 T266 L267 M268 Y276I128-L264 HydrophobicContact CD1-CD2 3.45Å; I128-L264 VanDerWaalsContact CD1-CD2 3.45Å; I128-L264 HydrophobicContact CG1-CD2 4.47Å; L143-L264 HydrophobicContact CD1-CD2 4.35Å; L143-L264 HydrophobicContact CD1-CG 4.45Å; L143-L264 HydrophobicContact CD2-CD2 4.44Å; R260-L264 HydrophobicContact CG-CD1 4.01Å; R260-L264 HydrophobicContact CG-CG 4.36Å; R260-L264 WeakPolarHBondContact O-CB 3.36Å; R260-L264 VanDerWaalsContact O-CG 3.31Å; R260-L264 WeakPolarHBondContact O-CG 3.5Å; R260-L264 PolarHBondContact O-N 3.39Å; L264-T266 PolarHBondContact O-N 3.2Å; L264-L267 PolarHBondContact O-N 3.42Å; L264-M268 HydrophobicContact CB-SD 4.46Å; L264-M268 VanDerWaalsContact O-CB 3.22Å; L264-M268 WeakPolarHBondContact O-CB 3.31Å; L264-M268 VanDerWaalsContact O-CG 3.24Å; L264-M268 WeakPolarHBondContact O-CG 3.3Å; L264-M268 PolarHBondContact O-N 3.26Å; L264-Y276 HydrophobicContact CB-CD2 4.22Å; L264-Y276 HydrophobicContact CB-CE2 3.69Å; L264-Y276 HydrophobicContact CD1-CE2 4.4Å
265R93.4Very high93.2Very high54 Ų5453.6 Ų53.620%0.20427%0.27CS..Hα-helixtrans-54-44.1172.8-173.9-177.7159.881.43.1111.2N261 R262 I263 V273 Y276N261-R265 WeakPolarHBondContact O-CB 3.32Å; N261-R265 PolarHBondContact O-N 2.9Å; R262-R265 VanDerWaalsContact O-CB 3.29Å; R262-R265 WeakPolarHBondContact O-CB 3.42Å; R262-R265 PolarHBondContact O-N 3.47Å; I263-R265 VanDerWaalsContact C-N 3.3Å; I263-R265 PolarHBondContact O-N 3.18Å; R265-V273 HydrophobicContact CG-CG2 4.44Å; R265-V273 PolarHBondContact NH1-O 2.94Å; R265-Y276 HydrophobicContact CB-CD2 4.35Å; R265-Y276 HydrophobicContact CB-CG 4.49Å; R265-Y276 WeakPolarHBondContact CD-O 3.25Å; R265-Y276 PolarHBondContact NH1-O 2.73Å
266T93.1Very high92.9Very high86 Ų8652 Ų5253%0.52826%0.259SS..Hα-helixtrans-74.6-50.1179.7-54.70000111.6H139 R262 I263 L264 M268 G269H139-T266 WeakPolarHBondContact NE2-CG2 3.45Å; R262-T266 PolarHBondContact O-N 3.48Å; R262-T266 PolarHBondContact O-OG1 3.41Å; I263-T266 PolarHBondContact O-N 3.02Å; I263-T266 VanDerWaalsContact O-N 3.09Å; L264-T266 PolarHBondContact O-N 3.2Å; T266-M268 VanDerWaalsContact C-N 3.27Å; T266-M268 PolarHBondContact O-N 2.92Å; T266-G269 PolarHBondContact O-N 3.39Å
267L90.9Very high92.7Very high53 Ų5350.3 Ų50.328%0.27725%0.254SS..Hα-helixtrans-60-35.5-178.3-72.3176000112.8I128 H139 L143 I263 L264 G269I128-L267 HydrophobicContact CD1-CB 4.02Å; I128-L267 HydrophobicContact CD1-CD1 3.75Å; I128-L267 HydrophobicContact CG2-CB 4.27Å; H139-L267 HydrophobicContact CB-CD1 4.41Å; H139-L267 HydrophobicContact CB-CD2 3.61Å; H139-L267 HydrophobicContact CB-CG 4.17Å; L143-L267 HydrophobicContact CD2-CD1 4.09Å; I263-L267 HydrophobicContact CG2-CD1 3.74Å; I263-L267 HydrophobicContact CG2-CG 4.2Å; I263-L267 WeakPolarHBondContact O-CG 3.45Å; I263-L267 PolarHBondContact O-N 3.12Å; L264-L267 PolarHBondContact O-N 3.42Å; L267-G269 VanDerWaalsContact C-N 3.33Å
268M90.8Very high92.5Very high39 Ų3954.5 Ų54.519%0.19228%0.281CS..THydrogen-bonded Turntrans-83.1-5.9178.5-65.9175.17900113.8I128 N129 L264 T266 K270 Q271 G272 Y276I128-M268 HydrophobicContact CG2-CB 4.34Å; I128-M268 HydrophobicContact CG2-CG 3.43Å; I128-M268 VanDerWaalsContact CG2-CG 3.43Å; N129-M268 WeakPolarHBondContact ND2-CA 3.34Å; N129-M268 PolarHBondContact ND2-O 2.83Å; L264-M268 HydrophobicContact CB-SD 4.46Å; L264-M268 VanDerWaalsContact O-CB 3.22Å; L264-M268 WeakPolarHBondContact O-CB 3.31Å; L264-M268 VanDerWaalsContact O-CG 3.24Å; L264-M268 WeakPolarHBondContact O-CG 3.3Å; L264-M268 PolarHBondContact O-N 3.26Å; T266-M268 VanDerWaalsContact C-N 3.27Å; T266-M268 PolarHBondContact O-N 2.92Å; M268-K270 PolarHBondContact O-N 3.46Å; M268-Q271 HydrophobicContact CB-CB 4.5Å; M268-Q271 HydrophobicContact CE-CB 4.44Å; M268-Q271 HydrophobicContact CE-CG 3.85Å; M268-Q271 PolarHBondContact O-N 3.33Å; M268-G272 VanDerWaalsContact CB-N 3.32Å; M268-Y276 HydrophobicContact SD-CE2 3.88Å
269G90.8Very high92.3Very high35 Ų3556.5 Ų56.536%0.36130%0.295SS..THydrogen-bonded Turntrans55.9-128.9-178.100000113.2T266 L267 Q271 G272 V273T266-G269 PolarHBondContact O-N 3.39Å; L267-G269 VanDerWaalsContact C-N 3.33Å; G269-Q271 PolarHBondContact O-N 2.92Å; G269-Q271 VanDerWaalsContact O-N 3.14Å; G269-G272 PolarHBondContact O-N 2.9Å; G269-V273 WeakPolarHBondContact O-CG2 3.43Å; G269-V273 PolarHBondContact O-N 3.46Å
270K91.3Very high92.1Very high190 Ų19054.3 Ų54.383%0.82628%0.28SS*.Hα-helixtrans-56.3-32.5-178.1-67.3-175.9-179.1178.40113.3M268M268-K270 PolarHBondContact O-N 3.46Å
271Q88.9Confident92.1Very high92 Ų9254.6 Ų54.643%0.4328%0.283SS..Hα-helixtrans-73.8-41.9178.3-174.362.99.500111.2M268 G269 V273 K274 V275M268-Q271 HydrophobicContact CB-CB 4.5Å; M268-Q271 HydrophobicContact CE-CB 4.44Å; M268-Q271 HydrophobicContact CE-CG 3.85Å; M268-Q271 PolarHBondContact O-N 3.33Å; G269-Q271 PolarHBondContact O-N 2.92Å; G269-Q271 VanDerWaalsContact O-N 3.14Å; Q271-V273 PolarHBondContact O-N 3.41Å; Q271-K274 PolarHBondContact O-N 3.43Å; Q271-K274 VanDerWaalsContact O-N 3.12Å; Q271-V275 WeakPolarHBondContact O-CG2 3.3Å; Q271-V275 PolarHBondContact O-N 2.94Å
272G90.3Very high91.8Very high0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-58.9-39.6174.900000111.8M268 G269 K274 V275 Y276M268-G272 VanDerWaalsContact CB-N 3.32Å; G269-G272 PolarHBondContact O-N 2.9Å; G272-K274 PolarHBondContact O-N 2.83Å; G272-V275 PolarHBondContact O-N 3.04Å; G272-V275 VanDerWaalsContact O-N 3.09Å; G272-Y276 PolarHBondContact O-N 2.76Å
273V91.5Very high91Very high66 Ų6655.8 Ų55.840%0.429%0.293SS..Hα-helixtrans-60.5-31178.2171.30000113.3R265 G269 Q271 F283R265-V273 HydrophobicContact CG-CG2 4.44Å; R265-V273 PolarHBondContact NH1-O 2.94Å; G269-V273 WeakPolarHBondContact O-CG2 3.43Å; G269-V273 PolarHBondContact O-N 3.46Å; Q271-V273 PolarHBondContact O-N 3.41Å; V273-F283 WeakPolarHBondContact O-CD2 3.26Å; V273-F283 VanDerWaalsContact O-CE2 3.28Å; V273-F283 WeakPolarHBondContact O-CE2 3.3Å
274K89.3Confident89.4Confident145 Ų14557.9 Ų57.963%0.6331%0.307SS*.Hα-helixtrans-80.1-25177.7-66.3175.3-178.1179.10113.3Q271 G272Q271-K274 PolarHBondContact O-N 3.43Å; Q271-K274 VanDerWaalsContact O-N 3.12Å; G272-K274 PolarHBondContact O-N 2.83Å
275V88.4Confident87.8Confident48 Ų4868.3 Ų68.329%0.29135%0.346SS..Hα-helixtrans-97.3-40.4-173.21780000111.8Q271 G272 L282 F283Q271-V275 WeakPolarHBondContact O-CG2 3.3Å; Q271-V275 PolarHBondContact O-N 2.94Å; G272-V275 PolarHBondContact O-N 3.04Å; G272-V275 VanDerWaalsContact O-N 3.09Å; V275-L282 WeakPolarHBondContact O-CA 3.36Å; V275-F283 PolarHBondContact O-N 3.46Å
276Y91.8Very high86Confident31 Ų3171.6 Ų71.612%0.12236%0.363CS..BIsolated β-bridgetrans-117.1130.3-172.2-59.5-70.1000110.8N261 L264 R265 M268 G272 N281 L282 F283N261-Y276 HydrophobicContact CB-CD1 3.5Å; N261-Y276 VanDerWaalsContact CB-CD1 3.5Å; N261-Y276 HydrophobicContact CB-CE1 3.79Å; N261-Y276 HydrophobicContact CB-CG 4.22Å; N261-Y276 VanDerWaalsContact CG-CE1 3.47Å; N261-Y276 WeakPolarHBondContact OD1-CE1 3.32Å; L264-Y276 HydrophobicContact CB-CD2 4.22Å; L264-Y276 HydrophobicContact CB-CE2 3.69Å; L264-Y276 HydrophobicContact CD1-CE2 4.4Å; R265-Y276 HydrophobicContact CB-CD2 4.35Å; R265-Y276 HydrophobicContact CB-CG 4.49Å; R265-Y276 WeakPolarHBondContact CD-O 3.25Å; R265-Y276 PolarHBondContact NH1-O 2.73Å; M268-Y276 HydrophobicContact SD-CE2 3.88Å; G272-Y276 PolarHBondContact O-N 2.76Å; Y276-N281 CarbonylContact C-O 3.54Å; Y276-N281 WeakPolarHBondContact CA-O 3.48Å; Y276-L282 HydrophobicContact CD1-CD2 3.7Å; Y276-L282 HydrophobicContact CE1-CD2 3.52Å; Y276-F283 VanDerWaalsContact C-CD2 3.41Å; Y276-F283 WeakPolarHBondContact O-CD2 3.4Å; Y276-F283 VanDerWaalsContact O-CE2 3.28Å; Y276-F283 WeakPolarHBondContact O-CE2 3.36Å
277A91.8Very high83.7Confident11 Ų1179.1 Ų79.19%0.09138%0.382CS..  trans-68.5158.117000000111.6S279 G280 N281 F283A277-S279 PolarHBondContact O-N 3.34Å; A277-S279 VanDerWaalsContact O-N 3.11Å; A277-G280 PolarHBondContact O-N 3.22Å; A277-N281 HydrophobicContact CB-CB 4.3Å; A277-N281 PolarHBondContact N-O 3.31Å; A277-F283 HydrophobicContact CB-CD1 4.35Å; A277-F283 HydrophobicContact CB-CD2 4.34Å; A277-F283 HydrophobicContact CB-CE1 4.02Å; A277-F283 HydrophobicContact CB-CE2 4.03Å; A277-F283 HydrophobicContact CB-CG 4.5Å; A277-F283 HydrophobicContact CB-CZ 3.85Å
278P92.9Very high81.4Confident91 Ų9185.6 Ų85.659%0.59141%0.408SS*.THydrogen-bonded Turntrans-54.2-29.2172.6-26.235.1000113.5G280P278-G280 PolarHBondContact O-N 3.01Å
279S93.3Very high79.7Confident43 Ų4386.2 Ų86.230%0.30141%0.409SS..THydrogen-bonded Turntrans-69.8-17.4175.266.10000114R262 A277 N281R262-S279 VanDerWaalsContact CZ-O 3.31Å; R262-S279 PolarHBondContact NE-O 3.41Å; R262-S279 PolarHBondContact NH2-O 2.89Å; A277-S279 PolarHBondContact O-N 3.34Å; A277-S279 VanDerWaalsContact O-N 3.11Å; S279-N281 PolarHBondContact OG-N 3Å; S279-N281 PolarHBondContact OG-ND2 3.3Å; S279-N281 VanDerWaalsContact OG-ND2 3.13Å
280G93.2Very high78.1Confident0 Ų089.5 Ų89.50%042%0.417CS..SBendtrans94.3-4-169.500000114N261 A277 P278N261-G280 WeakPolarHBondContact CB-O 3.28Å; N261-G280 PolarHBondContact ND2-O 2.87Å; A277-G280 PolarHBondContact O-N 3.22Å; P278-G280 PolarHBondContact O-N 3.01Å
281N93.8Very high77Confident21 Ų2185.3 Ų85.311%0.11240%0.399CS..PPolyproline II helixtrans-68.1160.1171.1-72.2-39.1000111.2Y276 A277 S279 Y295 T296Y276-N281 CarbonylContact C-O 3.54Å; Y276-N281 WeakPolarHBondContact CA-O 3.48Å; A277-N281 HydrophobicContact CB-CB 4.3Å; A277-N281 PolarHBondContact N-O 3.31Å; S279-N281 PolarHBondContact OG-N 3Å; S279-N281 PolarHBondContact OG-ND2 3.3Å; S279-N281 VanDerWaalsContact OG-ND2 3.13Å; N281-Y295 PolarHBondContact OD1-N 3.41Å; N281-T296 WeakPolarHBondContact ND2-CG2 3.49Å; N281-T296 PolarHBondContact ND2-OG1 3.07Å; N281-T296 PolarHBondContact OD1-N 3.39Å; N281-T296 VanDerWaalsContact OD1-N 3.08Å
282L88.6Confident76.5Confident48 Ų4886.5 Ų86.525%0.25140%0.4SS..BIsolated β-bridgetrans-76.3135.4170.1-60.3175.8000109.7V275 Y276 Y292 Y295V275-L282 WeakPolarHBondContact O-CA 3.36Å; Y276-L282 HydrophobicContact CD1-CD2 3.7Å; Y276-L282 HydrophobicContact CE1-CD2 3.52Å; L282-Y292 HydrophobicContact CB-CD2 4.39Å; L282-Y292 HydrophobicContact CD1-CD1 4.36Å; L282-Y292 HydrophobicContact CD1-CD2 3.66Å; L282-Y292 HydrophobicContact CD1-CE2 4.08Å; L282-Y292 HydrophobicContact CD1-CG 3.83Å; L282-Y295 HydrophobicContact CD1-CE2 4.12Å; L282-Y295 HydrophobicContact CG-CE2 3.93Å
283F80Confident76.3Confident87 Ų8786.8 Ų86.838%0.38240%0.402SS..PPolyproline II helixtrans-72.8140.1167.7-86.2-60.1000109.7V273 V275 Y276 A277 R285V273-F283 WeakPolarHBondContact O-CD2 3.26Å; V273-F283 VanDerWaalsContact O-CE2 3.28Å; V273-F283 WeakPolarHBondContact O-CE2 3.3Å; V275-F283 PolarHBondContact O-N 3.46Å; Y276-F283 VanDerWaalsContact C-CD2 3.41Å; Y276-F283 WeakPolarHBondContact O-CD2 3.4Å; Y276-F283 VanDerWaalsContact O-CE2 3.28Å; Y276-F283 WeakPolarHBondContact O-CE2 3.36Å; A277-F283 HydrophobicContact CB-CD1 4.35Å; A277-F283 HydrophobicContact CB-CD2 4.34Å; A277-F283 HydrophobicContact CB-CE1 4.02Å; A277-F283 HydrophobicContact CB-CE2 4.03Å; A277-F283 HydrophobicContact CB-CG 4.5Å; A277-F283 HydrophobicContact CB-CZ 3.85Å; F283-R285 PolarHBondContact O-N 3.01Å
284P61.7Low76.4Confident60 Ų6085.9 Ų85.939%0.3940%0.397SS..PPolyproline II helixtrans-60.5116169.724.8-30.5000108.3H286 R289P284-H286 PolarHBondContact O-N 3.34Å; P284-R289 WeakPolarHBondContact CB-O 3.44Å
285R58.1Low76.6Confident234 Ų23480.5 Ų80.588%0.88337%0.373SS*.SBendtrans-60.3-16.1-179.3-169.1172172.5161.3-3.1111.8F283F283-R285 PolarHBondContact O-N 3.01Å
286H55.8Low77Confident123 Ų12379.8 Ų79.857%0.56937%0.369SS*.BIsolated β-bridgetrans-131.4138.4-178.9-55.23.8000108.4P284 F288 R289P284-H286 PolarHBondContact O-N 3.34Å; H286-F288 PolarHBondContact O-N 3.2Å; H286-R289 PolarHBondContact O-N 2.93Å
287W45.2Very low77.2Confident245 Ų24583.5 Ų83.593%0.92838%0.384SS*.THydrogen-bonded Turntrans-53.8-17.2-173.5-100.55.8000115.9
288F41.4Very low77.5Confident188 Ų18883.4 Ų83.483%0.82538%0.381SS*.THydrogen-bonded Turntrans-123.66.5-172.8-54.2-74000115H286H286-F288 PolarHBondContact O-N 3.2Å
289R55Low77.7Confident53 Ų5381.6 Ų81.620%0.236%0.362CS..BIsolated β-bridgetrans-135.9117.4-174.1-164.8-179.3176.6-178.3-1.5113.5D225 P284 H286 K291D225-R289 IonicContact OD1-CZ 2.82Å; D225-R289 IonicContact OD1-NE 2.64Å; D225-R289 PolarHBondContact OD1-NE 3.34Å; D225-R289 VanDerWaalsContact OD1-NE 3.1Å; D225-R289 IonicContact OD1-NH2 3.88Å; D225-R289 WeakPolarHBondContact OD2-CG 3.37Å; P284-R289 WeakPolarHBondContact CB-O 3.44Å; H286-R289 PolarHBondContact O-N 2.93Å; R289-K291 PolarHBondContact O-N 3.44Å
290I59Low77.9Confident103 Ų10382.8 Ų82.853%0.52837%0.365SS..  trans-90.685.3171.3-58.5176.1000106.9D225 Y292D225-I290 VanDerWaalsContact CG-O 3.27Å; D225-I290 PolarHBondContact OD2-N 3.35Å; I290-Y292 WeakPolarHBondContact CG2-O 3.32Å; I290-Y292 PolarHBondContact O-N 3.48Å; I290-Y292 VanDerWaalsContact O-N 3.16Å
291K67.7Low78.1Confident103 Ų10384.1 Ų84.145%0.44837%0.372SS..  trans-64-19.2-178.2-173.7175.9176.9-171.30113.3R289R289-K291 PolarHBondContact O-N 3.44Å
292Y77.1Confident78.4Confident116 Ų11683.1 Ų83.146%0.45537%0.367SS..SBendtrans-132.2134.4-171.8-56.7-76.8000111.5L282 I290 P294L282-Y292 HydrophobicContact CB-CD2 4.39Å; L282-Y292 HydrophobicContact CD1-CD1 4.36Å; L282-Y292 HydrophobicContact CD1-CD2 3.66Å; L282-Y292 HydrophobicContact CD1-CE2 4.08Å; L282-Y292 HydrophobicContact CD1-CG 3.83Å; I290-Y292 WeakPolarHBondContact CG2-O 3.32Å; I290-Y292 PolarHBondContact O-N 3.48Å; I290-Y292 VanDerWaalsContact O-N 3.16Å; Y292-P294 WeakPolarHBondContact O-CD 3.31Å
293T87.4Confident78.8Confident6 Ų682.3 Ų82.34%0.03736%0.364CS..  trans-57.4123.1169.5-52.20000109.9Y229 D232 Y295 R298Y229-T293 WeakPolarHBondContact CA-OG1 3.49Å; Y229-T293 HydrophobicContact CD2-CG2 3.64Å; Y229-T293 HydrophobicContact CE2-CG2 3.97Å; D232-T293 HydrophobicContact CB-CG2 4.4Å; D232-T293 WeakPolarHBondContact CB-OG1 3.15Å; D232-T293 WeakPolarHBondContact OD2-CB 3.41Å; D232-T293 PolarHBondContact OD2-OG1 2.89Å; T293-Y295 PolarHBondContact O-N 3.18Å; T293-R298 HydrophobicContact CG2-CG 3.48Å; T293-R298 VanDerWaalsContact CG2-CG 3.48Å
294P92.6Very high79.7Confident48 Ų4881.8 Ų81.831%0.31237%0.365SS..  trans-56.6125.4-179-26.534.8000112.1Y292 T296 Y297 R298Y292-P294 WeakPolarHBondContact O-CD 3.31Å; P294-T296 PolarHBondContact O-N 3.46Å; P294-Y297 WeakPolarHBondContact O-CB 3.44Å; P294-Y297 PolarHBondContact O-N 3.46Å; P294-R298 WeakPolarHBondContact O-CG 3.15Å; P294-R298 PolarHBondContact O-N 2.89Å; P294-R298 VanDerWaalsContact O-N 3.15Å
295Y95.1Very high81.3Confident31 Ų3179.1 Ų79.112%0.12235%0.348CS..Hα-helixtrans-59.6-33.4-179.4-63.2-53.4000112.9Y254 I257 N281 L282 T293 Y297 R298 R299Y254-Y295 AromaticContact CD1-CD1 3.82Å; Y254-Y295 HydrophobicContact CD1-CD1 3.82Å; Y254-Y295 HydrophobicContact CD1-CG 4.36Å; Y254-Y295 AromaticContact CE1-CD1 3.69Å; Y254-Y295 HydrophobicContact CE1-CD1 3.69Å; Y254-Y295 HydrophobicContact CE1-CE1 4.31Å; I257-Y295 HydrophobicContact CG2-CD1 4.18Å; I257-Y295 HydrophobicContact CG2-CD2 3.62Å; I257-Y295 HydrophobicContact CG2-CE1 4.26Å; I257-Y295 HydrophobicContact CG2-CE2 3.71Å; I257-Y295 HydrophobicContact CG2-CG 3.87Å; N281-Y295 PolarHBondContact OD1-N 3.41Å; L282-Y295 HydrophobicContact CD1-CE2 4.12Å; L282-Y295 HydrophobicContact CG-CE2 3.93Å; T293-Y295 PolarHBondContact O-N 3.18Å; Y295-Y297 VanDerWaalsContact C-N 3.32Å; Y295-Y297 PolarHBondContact O-N 2.93Å; Y295-R298 PolarHBondContact O-N 3.23Å; Y295-R299 WeakPolarHBondContact O-CB 3.27Å; Y295-R299 PolarHBondContact O-N 3.26Å
296T96Very high83.2Confident34 Ų3469.2 Ų69.221%0.20931%0.312CS..Hα-helixtrans-59-44173.251.50000111.8L258 N281 P294 R299 D300L258-T296 HydrophobicContact CD1-CG2 3.94Å; L258-T296 HydrophobicContact CD2-CG2 3.86Å; N281-T296 WeakPolarHBondContact ND2-CG2 3.49Å; N281-T296 PolarHBondContact ND2-OG1 3.07Å; N281-T296 PolarHBondContact OD1-N 3.39Å; N281-T296 VanDerWaalsContact OD1-N 3.08Å; P294-T296 PolarHBondContact O-N 3.46Å; T296-R299 PolarHBondContact O-N 3.14Å; T296-D300 WeakPolarHBondContact O-CB 3.5Å; T296-D300 PolarHBondContact O-N 3.47Å
297Y95.9Very high85.1Confident108 Ų10870.9 Ų70.942%0.42431%0.313SS..Hα-helixtrans-66.4-43.2179.1-177.7-88.6000111.5Y229 P294 Y295 R299 D300 L301Y229-Y297 AromaticContact CE2-CD1 3.9Å; Y229-Y297 HydrophobicContact CE2-CD1 3.9Å; Y229-Y297 AromaticContact CE2-CE1 3.9Å; Y229-Y297 HydrophobicContact CE2-CE1 3.9Å; Y229-Y297 AromaticContact CZ-CE1 3.65Å; Y229-Y297 WeakPolarHBondContact OH-CE1 3.47Å; Y229-Y297 PolarHBondContact OH-OH 3.02Å; P294-Y297 WeakPolarHBondContact O-CB 3.44Å; P294-Y297 PolarHBondContact O-N 3.46Å; Y295-Y297 VanDerWaalsContact C-N 3.32Å; Y295-Y297 PolarHBondContact O-N 2.93Å; Y297-R299 VanDerWaalsContact C-N 3.33Å; Y297-R299 PolarHBondContact O-N 2.95Å; Y297-D300 PolarHBondContact O-N 2.95Å; Y297-L301 WeakPolarHBondContact O-CB 3.4Å; Y297-L301 PolarHBondContact O-N 3.42Å
298R97.3Very high87.5Confident9 Ų965 Ų653%0.03430%0.296CS..Hα-helixtrans-60.8-41.7177.6-59.6178.777.2148.212.1112R160 D232 D236 Y254 T293 P294 Y295 L301 I302R160-R298 VanDerWaalsContact NH2-CZ 3.26Å; D232-R298 VanDerWaalsContact CG-CZ 3.47Å; D232-R298 PolarHBondContact O-NH2 3.08Å; D232-R298 VanDerWaalsContact O-NH2 3.09Å; D232-R298 IonicContact OD1-CZ 3.79Å; D232-R298 VanDerWaalsContact OD1-CZ 3.29Å; D232-R298 IonicContact OD1-NH1 3.79Å; D232-R298 PolarHBondContact OD1-NH1 2.97Å; D232-R298 IonicContact OD1-NH2 2.9Å; D232-R298 PolarHBondContact OD1-NH2 3.17Å; D232-R298 IonicContact OD2-CZ 3.17Å; D232-R298 IonicContact OD2-NH1 3.91Å; D232-R298 PolarHBondContact OD2-NH1 3.47Å; D236-R298 IonicContact OD1-CZ 3.28Å; D236-R298 IonicContact OD1-NE 3.03Å; D236-R298 IonicContact OD1-NH2 3.29Å; D236-R298 PolarHBondContact OD1-NH2 3.36Å; D236-R298 IonicContact OD2-CZ 3.77Å; D236-R298 IonicContact OD2-NE 2.99Å; D236-R298 PolarHBondContact OD2-NE 3.24Å; D236-R298 IonicContact OD2-NH2 3.92Å; D236-R298 PolarHBondContact OD2-NH2 3.39Å; Y254-R298 HydrophobicContact CD1-CB 4.38Å; Y254-R298 HydrophobicContact CD2-CB 4.19Å; Y254-R298 HydrophobicContact CE1-CB 4.03Å; Y254-R298 HydrophobicContact CE2-CB 3.79Å; Y254-R298 HydrophobicContact CG-CB 4.47Å; Y254-R298 PolarHBondContact OH-NE 3.36Å; Y254-R298 PolarHBondContact OH-NH2 2.86Å; T293-R298 HydrophobicContact CG2-CG 3.48Å; T293-R298 VanDerWaalsContact CG2-CG 3.48Å; P294-R298 WeakPolarHBondContact O-CG 3.15Å; P294-R298 PolarHBondContact O-N 2.89Å; P294-R298 VanDerWaalsContact O-N 3.15Å; Y295-R298 PolarHBondContact O-N 3.23Å; R298-L301 WeakPolarHBondContact O-CB 3.13Å; R298-I302 WeakPolarHBondContact O-CG1 3.15Å; R298-I302 PolarHBondContact O-N 3.13Å
299R98Very high89.9Confident54 Ų5459.6 Ų59.620%0.20428%0.275CS..Hα-helixtrans-61.2-51172.6-175.8-161.560.4-170-1.9111.4V251 Y254 D255 Y295 T296 Y297 L301 I302 V303V251-R299 HydrophobicContact CG1-CG 4.35Å; Y254-R299 HydrophobicContact CD2-CB 4.5Å; Y254-R299 HydrophobicContact CG-CB 4.32Å; D255-R299 WeakPolarHBondContact OD1-CD 3.31Å; D255-R299 IonicContact OD1-CZ 2.7Å; D255-R299 IonicContact OD1-NE 2.92Å; D255-R299 IonicContact OD1-NH1 3.77Å; D255-R299 PolarHBondContact OD1-NH1 3.05Å; Y295-R299 WeakPolarHBondContact O-CB 3.27Å; Y295-R299 PolarHBondContact O-N 3.26Å; T296-R299 PolarHBondContact O-N 3.14Å; Y297-R299 VanDerWaalsContact C-N 3.33Å; Y297-R299 PolarHBondContact O-N 2.95Å; R299-L301 VanDerWaalsContact C-N 3.26Å; R299-L301 PolarHBondContact O-N 3.48Å; R299-I302 PolarHBondContact O-N 3.36Å; R299-V303 HydrophobicContact CG-CG2 4.34Å; R299-V303 WeakPolarHBondContact O-CG2 3.49Å; R299-V303 PolarHBondContact O-N 2.89Å
300D97.9Very high91.4Very high68 Ų6862.6 Ų62.636%0.36429%0.292SS..Hα-helixtrans-64.2-34.1-175.2-62.6-13.9000111.6T296 Y297 I302 V303 N304T296-D300 WeakPolarHBondContact O-CB 3.5Å; T296-D300 PolarHBondContact O-N 3.47Å; Y297-D300 PolarHBondContact O-N 2.95Å; D300-I302 VanDerWaalsContact C-N 3.34Å; D300-I302 PolarHBondContact O-N 3.26Å; D300-V303 PolarHBondContact O-N 3.44Å; D300-N304 PolarHBondContact O-N 3.16Å; D300-N304 VanDerWaalsContact O-N 3.12Å; D300-N304 PolarHBondContact O-ND2 3.01Å
301L97.8Very high91.9Very high27 Ų2764.5 Ų64.514%0.14132%0.323CS..Hα-helixtrans-54.9-48.3168.4171.466.9000111.6C233 Y297 R298 R299 N304 I305C233-L301 HydrophobicContact CB-CD2 3.95Å; Y297-L301 WeakPolarHBondContact O-CB 3.4Å; Y297-L301 PolarHBondContact O-N 3.42Å; R298-L301 WeakPolarHBondContact O-CB 3.13Å; R299-L301 VanDerWaalsContact C-N 3.26Å; R299-L301 PolarHBondContact O-N 3.48Å; L301-N304 PolarHBondContact O-N 3.39Å; L301-I305 HydrophobicContact CG-CD1 4.36Å; L301-I305 WeakPolarHBondContact O-CG1 3.43Å; L301-I305 PolarHBondContact O-N 3.09Å
302I98.3Very high93.1Very high0 Ų062.6 Ų62.60%032%0.317CS..Hα-helixtrans-72.5-35.3-178.3-61.9164.3000111.5F156 D236 A240 A247 V251 Y254 R298 R299 D300 N304 I305 L306F156-I302 HydrophobicContact CE1-CD1 4.07Å; F156-I302 HydrophobicContact CE2-CD1 3.84Å; F156-I302 HydrophobicContact CZ-CD1 3.34Å; F156-I302 HydrophobicContact CZ-CG1 4.45Å; D236-I302 HydrophobicContact CB-CD1 4.27Å; A240-I302 HydrophobicContact CB-CG1 4.16Å; A240-I302 HydrophobicContact CB-CG2 3.9Å; A247-I302 HydrophobicContact CB-CG2 4.46Å; A247-I302 VanDerWaalsContact O-CG2 3.23Å; A247-I302 WeakPolarHBondContact O-CG2 3.42Å; V251-I302 HydrophobicContact CG2-CB 4.38Å; V251-I302 HydrophobicContact CG2-CG2 3.84Å; Y254-I302 HydrophobicContact CD2-CD1 3.68Å; Y254-I302 HydrophobicContact CE2-CD1 3.51Å; R298-I302 WeakPolarHBondContact O-CG1 3.15Å; R298-I302 PolarHBondContact O-N 3.13Å; R299-I302 PolarHBondContact O-N 3.36Å; D300-I302 VanDerWaalsContact C-N 3.34Å; D300-I302 PolarHBondContact O-N 3.26Å; I302-N304 PolarHBondContact O-N 2.9Å; I302-I305 PolarHBondContact O-N 2.98Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 PolarHBondContact O-N 3.45Å
303V98.2Very high93.9Very high32 Ų3259.7 Ų59.719%0.19431%0.309CS..Hα-helixtrans-57-41.3173169.10000110.7V251 R299 D300 L306 R307V251-V303 HydrophobicContact CG1-CG2 3.95Å; V251-V303 HydrophobicContact CG2-CG2 3.72Å; R299-V303 HydrophobicContact CG-CG2 4.34Å; R299-V303 WeakPolarHBondContact O-CG2 3.49Å; R299-V303 PolarHBondContact O-N 2.89Å; D300-V303 PolarHBondContact O-N 3.44Å; V303-L306 PolarHBondContact O-N 2.97Å; V303-R307 WeakPolarHBondContact O-CG 3.34Å; V303-R307 PolarHBondContact O-N 3.31Å
304N97.4Very high94.3Very high76 Ų7662.7 Ų62.741%0.40632%0.324SS..Hα-helixtrans-66.2-43.7176.5-68-26.1000111.9D300 L301 I302 L306 R307 E308D300-N304 PolarHBondContact O-N 3.16Å; D300-N304 VanDerWaalsContact O-N 3.12Å; D300-N304 PolarHBondContact O-ND2 3.01Å; L301-N304 PolarHBondContact O-N 3.39Å; I302-N304 PolarHBondContact O-N 2.9Å; N304-L306 VanDerWaalsContact C-N 3.32Å; N304-L306 PolarHBondContact O-N 3.1Å; N304-R307 PolarHBondContact O-N 2.9Å; N304-R307 PolarHBondContact OD1-NH1 3.44Å; N304-E308 WeakPolarHBondContact O-CG 3.38Å; N304-E308 PolarHBondContact O-N 3.43Å
305I97.1Very high94.4Very high4 Ų463.6 Ų63.62%0.02133%0.325CS..Hα-helixtrans-59.3-44.3174.6-64.6165.6000110.8R237 A240 T241 L301 I302 R307 E308 L309R237-I305 HydrophobicContact CB-CD1 4.09Å; R237-I305 HydrophobicContact CG-CD1 3.78Å; A240-I305 HydrophobicContact CB-CD1 4.09Å; A240-I305 HydrophobicContact CB-CG2 4.22Å; T241-I305 HydrophobicContact CG2-CG2 3.91Å; L301-I305 HydrophobicContact CG-CD1 4.36Å; L301-I305 WeakPolarHBondContact O-CG1 3.43Å; L301-I305 PolarHBondContact O-N 3.09Å; I302-I305 PolarHBondContact O-N 2.98Å; I305-R307 VanDerWaalsContact C-N 3.3Å; I305-R307 PolarHBondContact O-N 3.28Å; I305-E308 PolarHBondContact O-N 2.93Å; I305-L309 HydrophobicContact CG2-CD1 4.03Å; I305-L309 HydrophobicContact CG2-CG 4.39Å; I305-L309 WeakPolarHBondContact O-CG 3.35Å; I305-L309 PolarHBondContact O-N 3.16Å
306L97Very high94.3Very high26 Ų2665.6 Ų65.614%0.13634%0.338CS..Hα-helixtrans-61.7-38.5179179.859.7000111.9K244 A247 V251 I302 V303 N304 L309 Q310K244-L306 HydrophobicContact CG-CD1 4Å; A247-L306 HydrophobicContact CB-CB 4.06Å; A247-L306 HydrophobicContact CB-CD1 3.9Å; V251-L306 HydrophobicContact CG2-CD2 4.15Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 PolarHBondContact O-N 3.45Å; V303-L306 PolarHBondContact O-N 2.97Å; N304-L306 VanDerWaalsContact C-N 3.32Å; N304-L306 PolarHBondContact O-N 3.1Å; L306-L309 PolarHBondContact O-N 3.07Å; L306-Q310 VanDerWaalsContact O-CG 3.23Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.23Å
307R96.4Very high94.2Very high157 Ų15767.7 Ų67.759%0.59235%0.346SS*.Hα-helixtrans-66.2-42.7174.5-71.4171.4-176.5157.3-1.8111.7V303 N304 I305 L309 Q310 A311V303-R307 WeakPolarHBondContact O-CG 3.34Å; V303-R307 PolarHBondContact O-N 3.31Å; N304-R307 PolarHBondContact O-N 2.9Å; N304-R307 PolarHBondContact OD1-NH1 3.44Å; I305-R307 VanDerWaalsContact C-N 3.3Å; I305-R307 PolarHBondContact O-N 3.28Å; R307-L309 VanDerWaalsContact C-N 3.29Å; R307-L309 PolarHBondContact O-N 2.97Å; R307-Q310 WeakPolarHBondContact O-CB 3.34Å; R307-Q310 PolarHBondContact O-N 3.48Å; R307-Q310 VanDerWaalsContact O-N 3.07Å; R307-A311 PolarHBondContact O-N 3.41Å
308E94.8Very high94.1Very high122 Ų12264.9 Ų64.957%0.5734%0.341SS*.Hα-helixtrans-61.2-38176.1-71.8171.6-169.300111.8N304 I305 Q310N304-E308 WeakPolarHBondContact O-CG 3.38Å; N304-E308 PolarHBondContact O-N 3.43Å; I305-E308 PolarHBondContact O-N 2.93Å; E308-Q310 PolarHBondContact O-N 3.01Å
309L91.9Very high93.9Very high74 Ų7469.2 Ų69.239%0.38737%0.365SS..THydrogen-bonded Turntrans-75.2-8.3175.5-66.5174.6000114.1A247 I305 L306 R307A247-L309 HydrophobicContact CB-CD1 4.04Å; I305-L309 HydrophobicContact CG2-CD1 4.03Å; I305-L309 HydrophobicContact CG2-CG 4.39Å; I305-L309 WeakPolarHBondContact O-CG 3.35Å; I305-L309 PolarHBondContact O-N 3.16Å; L306-L309 PolarHBondContact O-N 3.07Å; R307-L309 VanDerWaalsContact C-N 3.29Å; R307-L309 PolarHBondContact O-N 2.97Å
310Q85.6Confident93.5Very high116 Ų11670.4 Ų70.454%0.54238%0.378SS..THydrogen-bonded Turntrans-98.9-18.3176.8-76.6173.9-0.100113L306 R307 E308L306-Q310 VanDerWaalsContact O-CG 3.23Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.23Å; R307-Q310 WeakPolarHBondContact O-CB 3.34Å; R307-Q310 PolarHBondContact O-N 3.48Å; R307-Q310 VanDerWaalsContact O-N 3.07Å; E308-Q310 PolarHBondContact O-N 3.01Å
311A69.9Low93.1Very high143 Ų14370.6 Ų70.6100%1.18238%0.379SS*.  trans-78.60174.600000110.9R307R307-A311 PolarHBondContact O-N 3.41Å

Retrieved 311 of 311 residues in 569.3 ms (Link to these results)

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