A0A087XRW7_POEFO Loading...

Protein zwilch

Essential component of the mitotic checkpoint, which prevents cells from prematurely exiting mitosis. Required for the assembly of the dynein-dynactin and MAD1-MAD2 complexes onto kinetochores. Its function related to the spindle assembly machinery is proposed to depend on its association in the mitotic RZZ complex.

AlphaFold DB , UniProt , Accession A0A087XRW7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 594 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
1M53.5Low77.3Confident215 Ų21594.7 Ų94.7100%1.05951%0.505SS*.  0-45.60-70.6-165.1-134.500112.5S3 K4M1-S3 PolarHBondContact O-N 3.27Å; M1-K4 PolarHBondContact O-N 3.12Å
2G61.3Low78.3Confident52 Ų5286.8 Ų86.854%0.53646%0.463SS..Hα-helixtrans-54.4-43.7-179.300000115.9K4 V5 V6G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.09Å; G2-V5 PolarHBondContact O-N 3.26Å; G2-V5 VanDerWaalsContact O-N 3.11Å; G2-V6 WeakPolarHBondContact O-CG2 3.45Å; G2-V6 PolarHBondContact O-N 2.8Å; G2-V6 VanDerWaalsContact O-N 3.13Å
3S67.7Low79Confident104 Ų10480.2 Ų80.273%0.72743%0.428SS*.Hα-helixtrans-60.6-31.5179.3160.60000114.3M1 S7M1-S3 PolarHBondContact O-N 3.27Å; S3-S7 PolarHBondContact O-N 3.19Å; S3-S7 VanDerWaalsContact O-N 3.12Å
4K77.5Confident79.7Confident169 Ų16979.9 Ų79.974%0.73543%0.43SS*.Hα-helixtrans-71.8-34.2176.4-69.7-171.4176.5-172.80112.5M1 G2 R8M1-K4 PolarHBondContact O-N 3.12Å; G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.09Å; K4-R8 WeakPolarHBondContact O-CG 3.42Å; K4-R8 PolarHBondContact O-N 3.01Å
5V80.7Confident80.3Confident70 Ų7077.3 Ų77.342%0.42442%0.416SS..Hα-helixtrans-72.8-39.4179.4179.50000110.5G2 R8 A9 L119G2-V5 PolarHBondContact O-N 3.26Å; G2-V5 VanDerWaalsContact O-N 3.11Å; V5-R8 PolarHBondContact O-N 3.44Å; V5-A9 PolarHBondContact O-N 3.16Å; V5-L119 HydrophobicContact CG1-CD1 3.83Å
6V81.3Confident80.8Confident44 Ų4472.5 Ų72.527%0.26739%0.39SS..Hα-helixtrans-64.2-45.7175.3178.40000111G2 R8 A9 E10 V125G2-V6 WeakPolarHBondContact O-CG2 3.45Å; G2-V6 PolarHBondContact O-N 2.8Å; G2-V6 VanDerWaalsContact O-N 3.13Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 2.85Å; V6-A9 WeakPolarHBondContact O-CB 3.16Å; V6-A9 PolarHBondContact O-N 3.46Å; V6-A9 VanDerWaalsContact O-N 3.09Å; V6-E10 WeakPolarHBondContact O-CG 3.16Å; V6-E10 PolarHBondContact O-N 3.21Å; V6-V125 HydrophobicContact CG1-CG1 4.15Å; V6-V125 HydrophobicContact CG2-CG1 3.89Å
7S83.9Confident81.2Confident49 Ų4971.5 Ų71.534%0.34338%0.38SS..Hα-helixtrans-54.9-46.6174.4-169.40000112.1S3 A9 E10 E11S3-S7 PolarHBondContact O-N 3.19Å; S3-S7 VanDerWaalsContact O-N 3.12Å; S7-A9 VanDerWaalsContact C-N 3.33Å; S7-A9 PolarHBondContact O-N 2.71Å; S7-E10 PolarHBondContact O-N 2.91Å; S7-E11 WeakPolarHBondContact O-CG 3.4Å; S7-E11 PolarHBondContact O-N 3.44Å; S7-E11 PolarHBondContact OG-OE1 3.45Å
8R86.1Confident81.5Confident136 Ų13675.5 Ų75.551%0.51339%0.39SS..Hα-helixtrans-63.8-36.9177.4-76-174.1174.7-164.3-4.9113.2K4 V5 V6 F12 L116K4-R8 WeakPolarHBondContact O-CG 3.42Å; K4-R8 PolarHBondContact O-N 3.01Å; V5-R8 PolarHBondContact O-N 3.44Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 2.85Å; R8-F12 VanDerWaalsContact O-CB 3.3Å; R8-F12 WeakPolarHBondContact O-CB 3.49Å; R8-F12 PolarHBondContact O-N 3.36Å; R8-L116 HydrophobicContact CB-CD2 4.01Å
9A85.8Confident81.8Confident2 Ų271.5 Ų71.52%0.01737%0.369CS..Hα-helixtrans-67.7-37.6176.200000111.4V5 V6 S7 S13 L116 L119 S120V5-A9 PolarHBondContact O-N 3.16Å; V6-A9 WeakPolarHBondContact O-CB 3.16Å; V6-A9 PolarHBondContact O-N 3.46Å; V6-A9 VanDerWaalsContact O-N 3.09Å; S7-A9 VanDerWaalsContact C-N 3.33Å; S7-A9 PolarHBondContact O-N 2.71Å; A9-S13 VanDerWaalsContact O-CB 3.3Å; A9-S13 WeakPolarHBondContact O-CB 3.33Å; A9-S13 PolarHBondContact O-N 3.42Å; A9-L116 HydrophobicContact CB-CD2 4.11Å; A9-L119 HydrophobicContact CB-CB 4.07Å; A9-S120 WeakPolarHBondContact O-CB 3.45Å
10E85.1Confident82Confident96 Ų9669.9 Ų69.945%0.44936%0.36SS..Hα-helixtrans-67.3-44.2174.5-71.9177.4174.300112.1V6 S7 S13 T14V6-E10 WeakPolarHBondContact O-CG 3.16Å; V6-E10 PolarHBondContact O-N 3.21Å; S7-E10 PolarHBondContact O-N 2.91Å; E10-S13 PolarHBondContact O-N 3.31Å; E10-T14 WeakPolarHBondContact O-CB 3.45Å; E10-T14 PolarHBondContact O-N 3.22Å; E10-T14 PolarHBondContact O-OG1 2.97Å
11E87.9Confident82.1Confident105 Ų10572.4 Ų72.449%0.49137%0.374SS..Hα-helixtrans-58.3-49.5174.3-73.6161.4-14800111S7 S13 T14 L15S7-E11 WeakPolarHBondContact O-CG 3.4Å; S7-E11 PolarHBondContact O-N 3.44Å; S7-E11 PolarHBondContact OG-OE1 3.45Å; E11-S13 PolarHBondContact O-N 2.9Å; E11-T14 PolarHBondContact O-N 3.22Å; E11-L15 PolarHBondContact O-N 2.89Å
12F88.9Confident83.3Confident0 Ų063.6 Ų63.60%033%0.331CS..Hα-helixtrans-61.8-43178.2-173.3-115.3000112.1R8 T14 L15 L16 Y30 I36 L113 L116 L137R8-F12 VanDerWaalsContact O-CB 3.3Å; R8-F12 WeakPolarHBondContact O-CB 3.49Å; R8-F12 PolarHBondContact O-N 3.36Å; F12-T14 PolarHBondContact O-N 3.28Å; F12-L15 PolarHBondContact O-N 3.39Å; F12-L16 HydrophobicContact CD1-CD1 4.09Å; F12-L16 HydrophobicContact CE1-CD1 3.66Å; F12-L16 HydrophobicContact CE1-CG 4.43Å; F12-L16 HydrophobicContact CZ-CD1 4.01Å; F12-L16 HydrophobicContact CZ-CG 4.42Å; F12-L16 WeakPolarHBondContact O-CG 3.45Å; F12-L16 PolarHBondContact O-N 3.43Å; F12-L16 VanDerWaalsContact O-N 3.1Å; F12-Y30 HydrophobicContact CB-CE2 4.41Å; F12-Y30 HydrophobicContact CD2-CD1 4.02Å; F12-Y30 HydrophobicContact CD2-CD2 4.05Å; F12-Y30 AromaticContact CD2-CE1 3.88Å; F12-Y30 HydrophobicContact CD2-CE1 3.88Å; F12-Y30 AromaticContact CD2-CE2 3.92Å; F12-Y30 HydrophobicContact CD2-CE2 3.92Å; F12-Y30 HydrophobicContact CD2-CG 4.09Å; F12-Y30 AromaticContact CD2-CZ 3.83Å; F12-Y30 HydrophobicContact CE2-CD1 4.13Å; F12-Y30 HydrophobicContact CE2-CE1 4.31Å; F12-Y30 HydrophobicContact CE2-CG 4.3Å; F12-I36 HydrophobicContact CE2-CD1 3.75Å; F12-I36 HydrophobicContact CZ-CD1 4.35Å; F12-L113 HydrophobicContact CE2-CD2 3.99Å; F12-L113 HydrophobicContact CZ-CD2 4.1Å; F12-L116 HydrophobicContact CD1-CB 4.02Å; F12-L116 HydrophobicContact CG-CB 4.47Å; F12-L137 HydrophobicContact CE1-CD2 4.01Å; F12-L137 HydrophobicContact CZ-CD2 4.19Å
13S87.7Confident83.6Confident0 Ų069.9 Ų69.90%035%0.347CS..Hα-helixtrans-64.8-39176-178.20000112.7A9 E10 E11 L15 L16 R17A9-S13 VanDerWaalsContact O-CB 3.3Å; A9-S13 WeakPolarHBondContact O-CB 3.33Å; A9-S13 PolarHBondContact O-N 3.42Å; E10-S13 PolarHBondContact O-N 3.31Å; E11-S13 PolarHBondContact O-N 2.9Å; S13-L15 VanDerWaalsContact C-N 3.31Å; S13-L15 PolarHBondContact O-N 3.36Å; S13-L16 PolarHBondContact O-N 3.11Å; S13-R17 WeakPolarHBondContact O-CG 3.38Å; S13-R17 PolarHBondContact O-N 3.05Å; S13-R17 PolarHBondContact OG-NE 3.17Å; S13-R17 PolarHBondContact OG-NH2 3.44Å
14T87.8Confident83.6Confident76 Ų7669.9 Ų69.947%0.46635%0.347SS..Hα-helixtrans-63.3-40.7178-56.80000110.8E10 E11 F12 R17 Y18E10-T14 WeakPolarHBondContact O-CB 3.45Å; E10-T14 PolarHBondContact O-N 3.22Å; E10-T14 PolarHBondContact O-OG1 2.97Å; E11-T14 PolarHBondContact O-N 3.22Å; F12-T14 PolarHBondContact O-N 3.28Å; T14-R17 PolarHBondContact O-N 3.48Å; T14-Y18 PolarHBondContact O-N 3.13Å
15L89.1Confident83.5Confident42 Ų4263.6 Ų63.622%0.2232%0.324CS..Hα-helixtrans-61.9-46.4174.1-177.670.3000112.2E11 F12 S13 R17 Y18 L19 C28 Y30 I36E11-L15 PolarHBondContact O-N 2.89Å; F12-L15 PolarHBondContact O-N 3.39Å; S13-L15 VanDerWaalsContact C-N 3.31Å; S13-L15 PolarHBondContact O-N 3.36Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 2.92Å; L15-Y18 WeakPolarHBondContact O-CB 3.4Å; L15-Y18 PolarHBondContact O-N 2.89Å; L15-L19 PolarHBondContact O-N 3.21Å; L15-L19 VanDerWaalsContact O-N 3.1Å; L15-C28 HydrophobicContact CD1-CB 4.25Å; L15-Y30 HydrophobicContact CD2-CD2 3.74Å; L15-Y30 HydrophobicContact CD2-CG 4.15Å; L15-I36 HydrophobicContact CD2-CD1 4.02Å
16L89Confident83.5Confident0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-65-36.2178.7-68.5179.2000112.3F12 S13 L19 Q20 I36 F57 Y117 L134F12-L16 HydrophobicContact CD1-CD1 4.09Å; F12-L16 HydrophobicContact CE1-CD1 3.66Å; F12-L16 HydrophobicContact CE1-CG 4.43Å; F12-L16 HydrophobicContact CZ-CD1 4.01Å; F12-L16 HydrophobicContact CZ-CG 4.42Å; F12-L16 WeakPolarHBondContact O-CG 3.45Å; F12-L16 PolarHBondContact O-N 3.43Å; F12-L16 VanDerWaalsContact O-N 3.1Å; S13-L16 PolarHBondContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 3.49Å; L16-Q20 WeakPolarHBondContact O-CB 3.46Å; L16-Q20 PolarHBondContact O-N 3.24Å; L16-I36 HydrophobicContact CD2-CD1 4.1Å; L16-I36 HydrophobicContact CD2-CG2 3.9Å; L16-F57 HydrophobicContact CB-CE2 4.19Å; L16-F57 HydrophobicContact CB-CZ 4.41Å; L16-F57 HydrophobicContact CD2-CB 4.49Å; L16-F57 HydrophobicContact CD2-CD1 4.32Å; L16-F57 HydrophobicContact CD2-CD2 4.06Å; L16-F57 HydrophobicContact CD2-CE2 4.33Å; L16-F57 HydrophobicContact CD2-CG 4.05Å; L16-F57 WeakPolarHBondContact O-CZ 3.17Å; L16-Y117 HydrophobicContact CD1-CD2 3.79Å; L16-Y117 HydrophobicContact CD1-CE2 4.19Å; L16-L134 HydrophobicContact CB-CD1 3.86Å; L16-L134 HydrophobicContact CB-CD2 3.99Å; L16-L134 HydrophobicContact CD1-CD1 3.89Å
17R87.2Confident83.7Confident56 Ų5665 Ų6521%0.21133%0.331CS..Hα-helixtrans-63.3-45.5173.5-72.8178.2-132.8146.84.3111.6S13 T14 L15 L19 Q20 D21 P132 L134S13-R17 WeakPolarHBondContact O-CG 3.38Å; S13-R17 PolarHBondContact O-N 3.05Å; S13-R17 PolarHBondContact OG-NE 3.17Å; S13-R17 PolarHBondContact OG-NH2 3.44Å; T14-R17 PolarHBondContact O-N 3.48Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 2.92Å; R17-L19 VanDerWaalsContact C-N 3.26Å; R17-L19 PolarHBondContact O-N 3.46Å; R17-Q20 WeakPolarHBondContact O-CA 3.49Å; R17-Q20 WeakPolarHBondContact O-CB 3.48Å; R17-Q20 PolarHBondContact O-N 2.93Å; R17-D21 PolarHBondContact O-N 3.3Å; R17-P132 HydrophobicContact CG-CG 4.07Å; R17-L134 HydrophobicContact CB-CD2 4.48Å; R17-L134 HydrophobicContact CG-CD2 3.7Å
18Y86.7Confident83.9Confident143 Ų14363.7 Ų63.756%0.56132%0.322SS*.Hα-helixtrans-55.1-46.1176179-89.3000111T14 L15 Q20 D21 D22T14-Y18 PolarHBondContact O-N 3.13Å; L15-Y18 WeakPolarHBondContact O-CB 3.4Å; L15-Y18 PolarHBondContact O-N 2.89Å; Y18-Q20 VanDerWaalsContact C-N 3.31Å; Y18-Q20 PolarHBondContact O-N 3.46Å; Y18-D21 PolarHBondContact O-N 3.47Å; Y18-D22 HydrophobicContact CE1-CB 4.3Å; Y18-D22 WeakPolarHBondContact O-CB 3.42Å; Y18-D22 PolarHBondContact O-N 3.36Å; Y18-D22 PolarHBondContact OH-OD2 3.21Å
19L86.1Confident83.9Confident0 Ų061 Ų610%032%0.321CS..Hα-helixtrans-68-28.8176.8-169.466.1000113.3L15 L16 R17 S25 I36 K38 F57L15-L19 PolarHBondContact O-N 3.21Å; L15-L19 VanDerWaalsContact O-N 3.1Å; L16-L19 PolarHBondContact O-N 3.49Å; R17-L19 VanDerWaalsContact C-N 3.26Å; R17-L19 PolarHBondContact O-N 3.46Å; L19-S25 WeakPolarHBondContact CD1-O 3.35Å; L19-I36 HydrophobicContact CD2-CG2 3.97Å; L19-K38 HydrophobicContact CD2-CB 4.19Å; L19-K38 HydrophobicContact CG-CB 4.19Å; L19-K38 WeakPolarHBondContact O-CD 3.34Å; L19-K38 PolarHBondContact O-NZ 3.33Å; L19-F57 HydrophobicContact CB-CE1 4.24Å; L19-F57 HydrophobicContact CD2-CD1 3.84Å; L19-F57 HydrophobicContact CD2-CE1 3.83Å; L19-F57 HydrophobicContact CG-CE1 4.07Å
20Q87.7Confident84Confident38 Ų3861.9 Ų61.918%0.17832%0.324CS..Hα-helixtrans-69.4-45.6175.7-168.9156.2-5200111.7L16 R17 Y18 K38 F57 I133 H135L16-Q20 WeakPolarHBondContact O-CB 3.46Å; L16-Q20 PolarHBondContact O-N 3.24Å; R17-Q20 WeakPolarHBondContact O-CA 3.49Å; R17-Q20 WeakPolarHBondContact O-CB 3.48Å; R17-Q20 PolarHBondContact O-N 2.93Å; Y18-Q20 VanDerWaalsContact C-N 3.31Å; Y18-Q20 PolarHBondContact O-N 3.46Å; Q20-K38 PolarHBondContact O-NZ 3.4Å; Q20-F57 HydrophobicContact CB-CZ 4.06Å; Q20-I133 PolarHBondContact NE2-O 2.83Å; Q20-I133 VanDerWaalsContact NE2-O 3.1Å; Q20-H135 PolarHBondContact OE1-CD2 3.42Å; Q20-H135 VanDerWaalsContact OE1-CD2 3.28Å
21D83.8Confident83.7Confident124 Ų12461.1 Ų61.166%0.66332%0.32SS*.Hα-helixtrans-82.9-30.1-172.8-64.2-23.5000112.5R17 Y18 Q23R17-D21 PolarHBondContact O-N 3.3Å; Y18-D21 PolarHBondContact O-N 3.47Å; D21-Q23 PolarHBondContact O-N 3.3Å
22D78Confident83.1Confident29 Ų2965 Ų6516%0.15534%0.338CS..  trans-74.5118.3175.5-167.3-5.8000110.6Y18 S24 S25Y18-D22 HydrophobicContact CE1-CB 4.3Å; Y18-D22 WeakPolarHBondContact O-CB 3.42Å; Y18-D22 PolarHBondContact O-N 3.36Å; Y18-D22 PolarHBondContact OH-OD2 3.21Å; D22-S24 WeakPolarHBondContact OD1-CB 3.33Å; D22-S24 PolarHBondContact OD1-N 3.47Å; D22-S24 PolarHBondContact OD1-OG 3.42Å; D22-S24 PolarHBondContact OD2-OG 3.03Å; D22-S25 PolarHBondContact OD1-N 3.21Å; D22-S25 WeakPolarHBondContact OD2-CB 3.36Å
23Q68.6Low82.8Confident184 Ų18468.2 Ų68.286%0.8636%0.355SS*.SBendtrans-86.9-12.6174.4-65.8-162.36.500112.9D21D21-Q23 PolarHBondContact O-N 3.3Å
24S67.7Low82.9Confident105 Ų10568.2 Ų68.273%0.73436%0.355SS*.SBendtrans-91.6-28.1-17671.20000113.1D22D22-S24 WeakPolarHBondContact OD1-CB 3.33Å; D22-S24 PolarHBondContact OD1-N 3.47Å; D22-S24 PolarHBondContact OD1-OG 3.42Å; D22-S24 PolarHBondContact OD2-OG 3.03Å
25S73.8Confident83Confident36 Ų3666.8 Ų66.825%0.25234%0.343SS..  trans-107.9124.2177.5-170.90000112L19 D22 S27L19-S25 WeakPolarHBondContact CD1-O 3.35Å; D22-S25 PolarHBondContact OD1-N 3.21Å; D22-S25 WeakPolarHBondContact OD2-CB 3.36Å; S25-S27 PolarHBondContact OG-O 3.09Å
26N80.9Confident83.1Confident99 Ų9964.8 Ų64.853%0.52933%0.333SS..SBendtrans-99.4-0175-70.2-41.5000113T37 K38N26-T37 CarbonylContact O-C 3.59Å; N26-T37 WeakPolarHBondContact O-CA 3.18Å; N26-T37 WeakPolarHBondContact O-CG2 3.22Å; N26-K38 PolarHBondContact O-N 3.47Å
27S86.1Confident83.2Confident45 Ų4566 Ų6632%0.31534%0.34SS..EExtended strand (participates in β ladder)trans-151.7157.6176.664.90000114.3S25 H35 I36S25-S27 PolarHBondContact OG-O 3.09Å; S27-H35 WeakPolarHBondContact CB-CE1 3.15Å; S27-H35 VanDerWaalsContact CB-NE2 3.27Å; S27-H35 WeakPolarHBondContact CB-NE2 2.81Å; S27-H35 PolarHBondContact OG-CE1 3.17Å; S27-H35 VanDerWaalsContact OG-CE1 3.29Å; S27-H35 PolarHBondContact OG-NE2 2.96Å; S27-I36 CarbonylContact C-O 3.58Å; S27-I36 WeakPolarHBondContact CA-O 3.31Å; S27-I36 WeakPolarHBondContact CB-O 3.36Å
28C87.4Confident83.3Confident21 Ų2164.9 Ų64.914%0.14234%0.337CS..EExtended strand (participates in β ladder)trans-146.8166.5173.967.60000110.9L15 H35 I36L15-C28 HydrophobicContact CD1-CB 4.25Å; C28-H35 PolarHBondContact O-ND1 2.49Å; C28-I36 PolarHBondContact N-O 3.38Å; C28-I36 PolarHBondContact O-N 2.9Å
29T87.6Confident83.3Confident80 Ų8059.8 Ų59.849%0.49132%0.319SS..EExtended strand (participates in β ladder)trans-113.2136.1177.4-54.70000109.8I34T29-I34 CarbonylContact C-O 3.54Å; T29-I34 VanDerWaalsContact CA-O 3.31Å; T29-I34 WeakPolarHBondContact CA-O 3.44Å; T29-I34 WeakPolarHBondContact CG2-O 3.42Å
30Y86.1Confident83.2Confident21 Ų2162.6 Ų62.68%0.08233%0.334CS..EExtended strand (participates in β ladder)trans-119.4137.2175.8-178.7-110000109.8F12 L15 E32 I34 L113F12-Y30 HydrophobicContact CB-CE2 4.41Å; F12-Y30 HydrophobicContact CD2-CD1 4.02Å; F12-Y30 HydrophobicContact CD2-CD2 4.05Å; F12-Y30 AromaticContact CD2-CE1 3.88Å; F12-Y30 HydrophobicContact CD2-CE1 3.88Å; F12-Y30 AromaticContact CD2-CE2 3.92Å; F12-Y30 HydrophobicContact CD2-CE2 3.92Å; F12-Y30 HydrophobicContact CD2-CG 4.09Å; F12-Y30 AromaticContact CD2-CZ 3.83Å; F12-Y30 HydrophobicContact CE2-CD1 4.13Å; F12-Y30 HydrophobicContact CE2-CE1 4.31Å; F12-Y30 HydrophobicContact CE2-CG 4.3Å; L15-Y30 HydrophobicContact CD2-CD2 3.74Å; L15-Y30 HydrophobicContact CD2-CG 4.15Å; Y30-E32 PolarHBondContact O-N 3.27Å; Y30-I34 HydrophobicContact CD1-CD1 3.97Å; Y30-I34 PolarHBondContact N-O 3.47Å; Y30-I34 WeakPolarHBondContact O-CB 3.37Å; Y30-I34 PolarHBondContact O-N 3.15Å; Y30-I34 VanDerWaalsContact O-N 3.1Å; Y30-L113 HydrophobicContact CD1-CD2 4.25Å; Y30-L113 HydrophobicContact CE1-CD2 4.1Å
31E79.7Confident82.6Confident80 Ų8060.8 Ų60.837%0.37433%0.325SS..THydrogen-bonded Turntrans50.725.4178.3-68.6-174.8159.400115.5D33 K109E31-D33 PolarHBondContact O-N 2.6Å; E31-K109 IonicContact OE2-NZ 3.56Å; E31-K109 PolarHBondContact OE2-NZ 2.85Å
32E74.5Confident82.1Confident185 Ų18557.3 Ų57.386%0.86431%0.307SS*.THydrogen-bonded Turntrans67.2-19.4-179.5-56.4177.917700116.2Y30Y30-E32 PolarHBondContact O-N 3.27Å
33D83.3Confident81.9Confident68 Ų6863.7 Ų63.736%0.36433%0.333SS..THydrogen-bonded Turntrans-113.4-7.3-173.868.5-21.2000114.4E31 K61 A62E31-D33 PolarHBondContact O-N 2.6Å; D33-K61 WeakPolarHBondContact O-CA 3.31Å; D33-A62 PolarHBondContact O-N 3.39Å
34I89.3Confident82.4Confident0 Ų055.3 Ų55.30%029%0.294CS..EExtended strand (participates in β ladder)trans-117.1122.7-178.7-63.5159.5000110.5T29 Y30 I36 C59 E60 L105 K109 L113T29-I34 CarbonylContact C-O 3.54Å; T29-I34 VanDerWaalsContact CA-O 3.31Å; T29-I34 WeakPolarHBondContact CA-O 3.44Å; T29-I34 WeakPolarHBondContact CG2-O 3.42Å; Y30-I34 HydrophobicContact CD1-CD1 3.97Å; Y30-I34 PolarHBondContact N-O 3.47Å; Y30-I34 WeakPolarHBondContact O-CB 3.37Å; Y30-I34 PolarHBondContact O-N 3.15Å; Y30-I34 VanDerWaalsContact O-N 3.1Å; I34-I36 HydrophobicContact CG2-CG1 4.05Å; I34-C59 HydrophobicContact CG2-CB 4.17Å; I34-E60 CarbonylContact C-O 3.5Å; I34-E60 WeakPolarHBondContact CA-O 3.35Å; I34-L105 HydrophobicContact CG1-CD1 4.09Å; I34-L105 HydrophobicContact CG1-CD2 4.05Å; I34-L105 HydrophobicContact CG2-CD1 4.33Å; I34-K109 HydrophobicContact CD1-CD 4.49Å; I34-K109 HydrophobicContact CD1-CG 4.37Å; I34-L113 HydrophobicContact CD1-CD1 3.89Å; I34-L113 HydrophobicContact CD1-CD2 3.94Å; I34-L113 HydrophobicContact CD1-CG 4.34Å; I34-L113 HydrophobicContact CG2-CD1 4.37Å
35H90.9Very high82.8Confident47 Ų4754.2 Ų54.222%0.21828%0.283CS..EExtended strand (participates in β ladder)trans-93.6133.1168.2-163.158.5000109.8S27 C28 T37 C59 E60 A62S27-H35 WeakPolarHBondContact CB-CE1 3.15Å; S27-H35 VanDerWaalsContact CB-NE2 3.27Å; S27-H35 WeakPolarHBondContact CB-NE2 2.81Å; S27-H35 PolarHBondContact OG-CE1 3.17Å; S27-H35 VanDerWaalsContact OG-CE1 3.29Å; S27-H35 PolarHBondContact OG-NE2 2.96Å; C28-H35 PolarHBondContact O-ND1 2.49Å; H35-T37 PolarHBondContact CD2-OG1 2.98Å; H35-T37 VanDerWaalsContact CD2-OG1 3.29Å; H35-T37 PolarHBondContact NE2-OG1 3.4Å; H35-C59 WeakPolarHBondContact O-CA 3.38Å; H35-E60 HydrophobicContact CB-CG 4.05Å; H35-E60 IonicContact CD2-OE1 2.7Å; H35-E60 PolarHBondContact N-O 3.2Å; H35-E60 PolarHBondContact O-N 2.96Å; H35-A62 HydrophobicContact CB-CB 4.47Å
36I91.5Very high82.9Confident0 Ų052.6 Ų52.60%027%0.272CS..EExtended strand (participates in β ladder)trans-118.5121.3176.8-49.3-179.3000107.7F12 L15 L16 L19 S27 C28 I34 F57 V58F12-I36 HydrophobicContact CE2-CD1 3.75Å; F12-I36 HydrophobicContact CZ-CD1 4.35Å; L15-I36 HydrophobicContact CD2-CD1 4.02Å; L16-I36 HydrophobicContact CD2-CD1 4.1Å; L16-I36 HydrophobicContact CD2-CG2 3.9Å; L19-I36 HydrophobicContact CD2-CG2 3.97Å; S27-I36 CarbonylContact C-O 3.58Å; S27-I36 WeakPolarHBondContact CA-O 3.31Å; S27-I36 WeakPolarHBondContact CB-O 3.36Å; C28-I36 PolarHBondContact N-O 3.38Å; C28-I36 PolarHBondContact O-N 2.9Å; I34-I36 HydrophobicContact CG2-CG1 4.05Å; I36-F57 HydrophobicContact CG2-CB 4.31Å; I36-V58 CarbonylContact C-O 3.58Å; I36-V58 WeakPolarHBondContact CA-O 3.46Å
37T90.7Very high82.8Confident24 Ų2448 Ų4815%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-118.1136179.9-45.30000110.2N26 H35 M39 F57 V58N26-T37 CarbonylContact O-C 3.59Å; N26-T37 WeakPolarHBondContact O-CA 3.18Å; N26-T37 WeakPolarHBondContact O-CG2 3.22Å; H35-T37 PolarHBondContact CD2-OG1 2.98Å; H35-T37 VanDerWaalsContact CD2-OG1 3.29Å; H35-T37 PolarHBondContact NE2-OG1 3.4Å; T37-M39 HydrophobicContact CG2-CE 3.72Å; T37-F57 CarbonylContact O-C 3.47Å; T37-F57 WeakPolarHBondContact O-CA 3.16Å; T37-V58 PolarHBondContact N-O 3.44Å; T37-V58 PolarHBondContact O-N 3.03Å
38K89.3Confident82.2Confident33 Ų3348.5 Ų48.514%0.14325%0.247CC..EExtended strand (participates in β ladder)trans-91120.2169.9-178.3-178.3-178.3-179.30108.3L19 Q20 N26 T55 I56 F57L19-K38 HydrophobicContact CD2-CB 4.19Å; L19-K38 HydrophobicContact CG-CB 4.19Å; L19-K38 WeakPolarHBondContact O-CD 3.34Å; L19-K38 PolarHBondContact O-NZ 3.33Å; Q20-K38 PolarHBondContact O-NZ 3.4Å; N26-K38 PolarHBondContact O-N 3.47Å; K38-T55 HydrophobicContact CD-CG2 4.3Å; K38-T55 HydrophobicContact CG-CG2 3.58Å; K38-I56 WeakPolarHBondContact CA-O 3.47Å; K38-F57 HydrophobicContact CB-CD1 4.31Å; K38-F57 HydrophobicContact CB-CE1 4.36Å; K38-F57 HydrophobicContact CG-CE1 4.38Å
39M87.1Confident81.3Confident37 Ų3751 Ų5118%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-147.5168.1179.966178.974.400112T37 L44 I56 V58T37-M39 HydrophobicContact CG2-CE 3.72Å; M39-L44 HydrophobicContact SD-CD1 4.45Å; M39-L44 HydrophobicContact SD-CD2 4.48Å; M39-L44 HydrophobicContact SD-CG 4.33Å; M39-I56 HydrophobicContact CG-CG1 4.38Å; M39-I56 PolarHBondContact N-O 3.32Å; M39-I56 PolarHBondContact O-N 3.36Å; M39-V58 HydrophobicContact CE-CB 4.07Å; M39-V58 HydrophobicContact CE-CG1 4.48Å; M39-V58 HydrophobicContact CE-CG2 4.05Å; M39-V58 HydrophobicContact CG-CG2 3.87Å; M39-V58 HydrophobicContact SD-CG2 3.88Å
40N83.3Confident80.4Confident59 Ų5949.1 Ų49.132%0.31624%0.242SC..EExtended strand (participates in β ladder)trans-78.5131.9171.6-174.7-12.9000109.6D42 K43 Q54N40-D42 VanDerWaalsContact CG-OD2 3.29Å; N40-D42 PolarHBondContact ND2-OD2 2.91Å; N40-D42 PolarHBondContact O-N 3.37Å; N40-D42 VanDerWaalsContact O-N 3.1Å; N40-D42 PolarHBondContact OD1-N 3.38Å; N40-D42 VanDerWaalsContact OD1-N 3.08Å; N40-D42 PolarHBondContact OD1-OD2 3.08Å; N40-D42 VanDerWaalsContact OD1-OD2 3.12Å; N40-K43 PolarHBondContact O-N 2.8Å; N40-K43 VanDerWaalsContact O-N 3.14Å; N40-Q54 PolarHBondContact OD1-O 3.19Å
41G74.8Confident79.6Confident0 Ų048.2 Ų48.20%024%0.239CC..G310 helixtrans-56.3-21.1176.600000114.4K43 L44 Q54G41-K43 PolarHBondContact O-N 3.06Å; G41-L44 PolarHBondContact O-N 3.16Å; G41-L44 VanDerWaalsContact O-N 3.13Å; G41-Q54 PolarHBondContact N-O 2.97Å
42D74.5Confident79.2Confident51 Ų5146.5 Ų46.527%0.27324%0.238SC..G310 helixtrans-59.4-27.7175.9-62.7-33.7000113.3N40 L44 N48 A52 N53N40-D42 VanDerWaalsContact CG-OD2 3.29Å; N40-D42 PolarHBondContact ND2-OD2 2.91Å; N40-D42 PolarHBondContact O-N 3.37Å; N40-D42 VanDerWaalsContact O-N 3.1Å; N40-D42 PolarHBondContact OD1-N 3.38Å; N40-D42 VanDerWaalsContact OD1-N 3.08Å; N40-D42 PolarHBondContact OD1-OD2 3.08Å; N40-D42 VanDerWaalsContact OD1-OD2 3.12Å; D42-L44 PolarHBondContact O-N 3.3Å; D42-N48 PolarHBondContact O-ND2 3.45Å; D42-A52 WeakPolarHBondContact OD1-CA 3.4Å; D42-N53 PolarHBondContact OD1-N 2.99Å; D42-N53 PolarHBondContact OD2-N 3.35Å; D42-N53 PolarHBondContact OD2-OD1 2.83Å
43K73.9Confident79.2Confident163 Ų16344.1 Ų44.171%0.70923%0.231SC*.G310 helixtrans-72-13.8180-65.1-171.7175.5-172.20113.7N40 G41N40-K43 PolarHBondContact O-N 2.8Å; N40-K43 VanDerWaalsContact O-N 3.14Å; G41-K43 PolarHBondContact O-N 3.06Å
44L78.9Confident79.2Confident8 Ų844.7 Ų44.74%0.04223%0.232CC..  trans-115.2105.3-176.1-65.3-177.8000110.6M39 G41 D42 A46 V47 N48 I56 V58 W151M39-L44 HydrophobicContact SD-CD1 4.45Å; M39-L44 HydrophobicContact SD-CD2 4.48Å; M39-L44 HydrophobicContact SD-CG 4.33Å; G41-L44 PolarHBondContact O-N 3.16Å; G41-L44 VanDerWaalsContact O-N 3.13Å; D42-L44 PolarHBondContact O-N 3.3Å; L44-A46 PolarHBondContact O-N 3.48Å; L44-V47 HydrophobicContact CB-CB 3.86Å; L44-V47 HydrophobicContact CB-CG2 4.1Å; L44-V47 HydrophobicContact CD1-CB 4.32Å; L44-V47 HydrophobicContact CD1-CG2 4.06Å; L44-V47 PolarHBondContact O-N 2.95Å; L44-N48 VanDerWaalsContact O-CB 3.29Å; L44-N48 WeakPolarHBondContact O-CB 3.1Å; L44-N48 PolarHBondContact O-N 3.13Å; L44-I56 HydrophobicContact CD1-CD1 3.92Å; L44-V58 HydrophobicContact CD1-CG2 3.84Å; L44-W151 HydrophobicContact CD1-CH2 3.65Å; L44-W151 HydrophobicContact CD1-CZ2 4.18Å; L44-W151 HydrophobicContact CD1-CZ3 4.21Å; L44-W151 HydrophobicContact CD2-CH2 4.17Å; L44-W151 HydrophobicContact CD2-CZ2 4.23Å
45T76.3Confident79.1Confident81 Ų8147.4 Ų47.450%0.49725%0.249SC..Hα-helixtrans-53.2-46.8-173.6-46.40000113.6V47 L557T45-V47 VanDerWaalsContact C-N 3.31Å; T45-V47 PolarHBondContact O-N 2.87Å; T45-L557 HydrophobicContact CG2-CD2 3.84Å
46A75.9Confident79.1Confident3 Ų345.2 Ų45.23%0.02524%0.238CC..Hα-helixtrans-69.2-2417900000114.3L44 I171 L557L44-A46 PolarHBondContact O-N 3.48Å; A46-I171 HydrophobicContact CB-CD1 4.02Å; A46-L557 HydrophobicContact CB-CB 4.26Å; A46-L557 WeakPolarHBondContact CB-O 3.37Å; A46-L557 PolarHBondContact N-O 3.48Å
47V76.8Confident79.2Confident1 Ų145.2 Ų45.21%0.00624%0.238CC..Hα-helixtrans-98-32.6-175.1178.60000111.9L44 T45 L49 Y50 F51 I56 W138 W151 I171L44-V47 HydrophobicContact CB-CB 3.86Å; L44-V47 HydrophobicContact CB-CG2 4.1Å; L44-V47 HydrophobicContact CD1-CB 4.32Å; L44-V47 HydrophobicContact CD1-CG2 4.06Å; L44-V47 PolarHBondContact O-N 2.95Å; T45-V47 VanDerWaalsContact C-N 3.31Å; T45-V47 PolarHBondContact O-N 2.87Å; V47-L49 PolarHBondContact O-N 3.35Å; V47-L49 VanDerWaalsContact O-N 3.09Å; V47-Y50 PolarHBondContact O-N 2.97Å; V47-Y50 VanDerWaalsContact O-N 3.1Å; V47-F51 HydrophobicContact CG1-CB 4.17Å; V47-F51 HydrophobicContact CG1-CD2 4.24Å; V47-F51 PolarHBondContact O-N 3.33Å; V47-F51 VanDerWaalsContact O-N 3.14Å; V47-I56 HydrophobicContact CG1-CD1 3.94Å; V47-W138 HydrophobicContact CG1-CD2 3.88Å; V47-W138 VanDerWaalsContact CG1-CE2 3.48Å; V47-W138 HydrophobicContact CG1-CE3 4.44Å; V47-W138 HydrophobicContact CG1-CG 4.28Å; V47-W138 HydrophobicContact CG1-CH2 4.3Å; V47-W138 HydrophobicContact CG1-CZ2 3.72Å; V47-W138 HydrophobicContact CG2-CD2 3.94Å; V47-W138 HydrophobicContact CG2-CE3 3.75Å; V47-W138 HydrophobicContact CG2-CH2 4.26Å; V47-W138 HydrophobicContact CG2-CZ2 4.44Å; V47-W138 HydrophobicContact CG2-CZ3 3.92Å; V47-W151 HydrophobicContact CG2-CD2 4.47Å; V47-I171 HydrophobicContact CG2-CD1 4.42Å
48N74.9Confident79.3Confident57 Ų5744 Ų4431%0.30523%0.231SC..Hα-helixtrans-49.4-37.7178.3-177.8-24.4000111.9D42 L44 Y50 F51 A52D42-N48 PolarHBondContact O-ND2 3.45Å; L44-N48 VanDerWaalsContact O-CB 3.29Å; L44-N48 WeakPolarHBondContact O-CB 3.1Å; L44-N48 PolarHBondContact O-N 3.13Å; N48-Y50 PolarHBondContact O-N 3.09Å; N48-F51 PolarHBondContact O-N 3.46Å; N48-A52 WeakPolarHBondContact O-CB 3.3Å; N48-A52 PolarHBondContact O-N 3.42Å; N48-A52 WeakPolarHBondContact OD1-CB 3.36Å
49L67.8Low79.4Confident72 Ų7242.5 Ų42.538%0.37722%0.224SC..Hα-helixtrans-49.6-28.9179.3-62.1165.4000115.3V47V47-L49 PolarHBondContact O-N 3.35Å; V47-L49 VanDerWaalsContact O-N 3.09Å
50Y68.4Low79.6Confident41 Ų4142.1 Ų42.116%0.16122%0.222CC..Hα-helixtrans-120-24.6-178.8-67.4-93.1000113.4V47 N48 R547 S549 M586V47-Y50 PolarHBondContact O-N 2.97Å; V47-Y50 VanDerWaalsContact O-N 3.1Å; N48-Y50 PolarHBondContact O-N 3.09Å; Y50-R547 HydrophobicContact CE1-CB 4.2Å; Y50-S549 VanDerWaalsContact OH-CB 3.23Å; Y50-S549 WeakPolarHBondContact OH-CB 3.33Å; Y50-S549 PolarHBondContact OH-OG 3.48Å; Y50-M586 HydrophobicContact CD1-CE 4.23Å; Y50-M586 HydrophobicContact CD2-CE 3.18Å; Y50-M586 HydrophobicContact CD2-SD 3.3Å; Y50-M586 WeakPolarHBondContact CD2-SD 2.99Å; Y50-M586 HydrophobicContact CE1-CE 4.43Å; Y50-M586 HydrophobicContact CE2-CE 3.48Å; Y50-M586 VanDerWaalsContact CE2-CE 3.48Å; Y50-M586 HydrophobicContact CE2-CG 4.09Å; Y50-M586 HydrophobicContact CE2-SD 3.15Å; Y50-M586 WeakPolarHBondContact CE2-SD 3.4Å; Y50-M586 HydrophobicContact CG-CE 3.6Å; Y50-M586 HydrophobicContact CG-SD 4.31Å
51F70.2Confident79.9Confident2 Ų244.6 Ų44.61%0.00923%0.23CC..Hα-helixtrans-122.126.4-172.7-67.5-87.6000113.1V47 N48 N53 Q54 I56 P136 W138 E155 Y169V47-F51 HydrophobicContact CG1-CB 4.17Å; V47-F51 HydrophobicContact CG1-CD2 4.24Å; V47-F51 PolarHBondContact O-N 3.33Å; V47-F51 VanDerWaalsContact O-N 3.14Å; N48-F51 PolarHBondContact O-N 3.46Å; F51-N53 PolarHBondContact O-N 3.35Å; F51-Q54 HydrophobicContact CB-CB 4.42Å; F51-Q54 VanDerWaalsContact CD1-OE1 3.26Å; F51-Q54 WeakPolarHBondContact O-CB 3.45Å; F51-Q54 PolarHBondContact O-N 2.87Å; F51-I56 HydrophobicContact CB-CG2 4.32Å; F51-I56 HydrophobicContact CD1-CG2 4.49Å; F51-P136 HydrophobicContact CD1-CB 4.27Å; F51-P136 HydrophobicContact CD1-CG 3.93Å; F51-P136 HydrophobicContact CE1-CB 3.94Å; F51-P136 HydrophobicContact CE1-CG 3.67Å; F51-W138 AromaticContact CD2-CZ2 3.58Å; F51-W138 HydrophobicContact CD2-CZ2 3.58Å; F51-W138 AromaticContact CD2-NE1 3.93Å; F51-W138 AromaticContact CE2-CZ2 3.5Å; F51-W138 HydrophobicContact CE2-CZ2 3.5Å; F51-W138 HydrophobicContact CZ-CZ2 4.48Å; F51-E155 HydrophobicContact CE1-CB 4.2Å; F51-E155 HydrophobicContact CE1-CG 4.01Å; F51-E155 HydrophobicContact CZ-CB 4.01Å; F51-E155 HydrophobicContact CZ-CG 4.21Å; F51-E155 WeakPolarHBondContact CZ-OE2 3.38Å; F51-Y169 HydrophobicContact CE2-CD2 4.28Å; F51-Y169 HydrophobicContact CE2-CE1 4.28Å; F51-Y169 AromaticContact CE2-CE2 3.8Å; F51-Y169 HydrophobicContact CE2-CE2 3.8Å; F51-Y169 AromaticContact CE2-CZ 3.79Å; F51-Y169 HydrophobicContact CZ-CD2 4.33Å; F51-Y169 AromaticContact CZ-CE2 3.53Å; F51-Y169 HydrophobicContact CZ-CE2 3.53Å; F51-Y169 AromaticContact CZ-CZ 3.66Å
52A71.2Confident80.3Confident44 Ų4445.9 Ų45.936%0.36424%0.241SC..THydrogen-bonded Turntrans-51.1134.8173.400000111.4D42 N48 Q54D42-A52 WeakPolarHBondContact OD1-CA 3.4Å; N48-A52 WeakPolarHBondContact O-CB 3.3Å; N48-A52 PolarHBondContact O-N 3.42Å; N48-A52 WeakPolarHBondContact OD1-CB 3.36Å; A52-Q54 PolarHBondContact O-N 3.33Å
53N74.1Confident80.2Confident135 Ų13547 Ų4772%0.72225%0.25SC*.THydrogen-bonded Turntrans57.419-176.1-56.1-64.7000115.7D42 F51D42-N53 PolarHBondContact OD1-N 2.99Å; D42-N53 PolarHBondContact OD2-N 3.35Å; D42-N53 PolarHBondContact OD2-OD1 2.83Å; F51-N53 PolarHBondContact O-N 3.35Å
54Q83.8Confident79.4Confident81 Ų8144.6 Ų44.638%0.37925%0.25SS..  trans-108139.6174.2-62-168.39.400111.6N40 G41 F51 A52N40-Q54 PolarHBondContact OD1-O 3.19Å; G41-Q54 PolarHBondContact N-O 2.97Å; F51-Q54 HydrophobicContact CB-CB 4.42Å; F51-Q54 VanDerWaalsContact CD1-OE1 3.26Å; F51-Q54 WeakPolarHBondContact O-CB 3.45Å; F51-Q54 PolarHBondContact O-N 2.87Å; A52-Q54 PolarHBondContact O-N 3.33Å
55T87.3Confident77.9Confident57 Ų5753 Ų5335%0.3529%0.287SS..EExtended strand (participates in β ladder)trans-73.7131.2169.8-51.50000109.8K38K38-T55 HydrophobicContact CD-CG2 4.3Å; K38-T55 HydrophobicContact CG-CG2 3.58Å
56I91.1Very high76Confident0 Ų057.2 Ų57.20%031%0.305CS..EExtended strand (participates in β ladder)trans-130.9156.8-179.561.4170.5000110.7K38 M39 L44 V47 F51 V58 P136 W138K38-I56 WeakPolarHBondContact CA-O 3.47Å; M39-I56 HydrophobicContact CG-CG1 4.38Å; M39-I56 PolarHBondContact N-O 3.32Å; M39-I56 PolarHBondContact O-N 3.36Å; L44-I56 HydrophobicContact CD1-CD1 3.92Å; V47-I56 HydrophobicContact CG1-CD1 3.94Å; F51-I56 HydrophobicContact CB-CG2 4.32Å; F51-I56 HydrophobicContact CD1-CG2 4.49Å; I56-V58 HydrophobicContact CD1-CG2 3.9Å; I56-V58 HydrophobicContact CG1-CG2 4.14Å; I56-P136 WeakPolarHBondContact CA-O 3.43Å; I56-P136 HydrophobicContact CG2-CB 4.13Å; I56-P136 HydrophobicContact CG2-CG 4.34Å; I56-W138 HydrophobicContact CD1-CG 4.38Å
57F92.8Very high73.9Confident0 Ų064.8 Ų64.80%034%0.343CS..EExtended strand (participates in β ladder)trans-93.4135.1165.6-60.9-57.4000109.8L16 L19 Q20 I36 T37 K38 L134 H135 P136 L137 W138L16-F57 HydrophobicContact CB-CE2 4.19Å; L16-F57 HydrophobicContact CB-CZ 4.41Å; L16-F57 HydrophobicContact CD2-CB 4.49Å; L16-F57 HydrophobicContact CD2-CD1 4.32Å; L16-F57 HydrophobicContact CD2-CD2 4.06Å; L16-F57 HydrophobicContact CD2-CE2 4.33Å; L16-F57 HydrophobicContact CD2-CG 4.05Å; L16-F57 WeakPolarHBondContact O-CZ 3.17Å; L19-F57 HydrophobicContact CB-CE1 4.24Å; L19-F57 HydrophobicContact CD2-CD1 3.84Å; L19-F57 HydrophobicContact CD2-CE1 3.83Å; L19-F57 HydrophobicContact CG-CE1 4.07Å; Q20-F57 HydrophobicContact CB-CZ 4.06Å; I36-F57 HydrophobicContact CG2-CB 4.31Å; T37-F57 CarbonylContact O-C 3.47Å; T37-F57 WeakPolarHBondContact O-CA 3.16Å; K38-F57 HydrophobicContact CB-CD1 4.31Å; K38-F57 HydrophobicContact CB-CE1 4.36Å; K38-F57 HydrophobicContact CG-CE1 4.38Å; F57-L134 HydrophobicContact CE2-CB 4.38Å; F57-L134 HydrophobicContact CE2-CD2 4.45Å; F57-H135 HydrophobicContact CD2-CB 3.88Å; F57-H135 HydrophobicContact CE2-CB 3.61Å; F57-H135 HydrophobicContact CZ-CB 4.08Å; F57-H135 AromaticContact CZ-CD2 3.92Å; F57-P136 PolarHBondContact N-O 2.93Å; F57-L137 HydrophobicContact CB-CD1 3.63Å; F57-W138 PolarHBondContact O-N 3.42Å
58V92Very high71.6Confident0 Ų067.4 Ų67.40%037%0.37CS..EExtended strand (participates in β ladder)trans-120.7121.5177.2178.70000108.7I36 T37 M39 L44 I56 W138 R140 W151I36-V58 CarbonylContact C-O 3.58Å; I36-V58 WeakPolarHBondContact CA-O 3.46Å; T37-V58 PolarHBondContact N-O 3.44Å; T37-V58 PolarHBondContact O-N 3.03Å; M39-V58 HydrophobicContact CE-CB 4.07Å; M39-V58 HydrophobicContact CE-CG1 4.48Å; M39-V58 HydrophobicContact CE-CG2 4.05Å; M39-V58 HydrophobicContact CG-CG2 3.87Å; M39-V58 HydrophobicContact SD-CG2 3.88Å; L44-V58 HydrophobicContact CD1-CG2 3.84Å; I56-V58 HydrophobicContact CD1-CG2 3.9Å; I56-V58 HydrophobicContact CG1-CG2 4.14Å; V58-W138 CarbonylContact C-O 3.51Å; V58-W138 VanDerWaalsContact CA-O 3.31Å; V58-W138 WeakPolarHBondContact CA-O 3.34Å; V58-R140 VanDerWaalsContact CG1-NH1 3.33Å; V58-W151 HydrophobicContact CG1-CH2 4.05Å; V58-W151 HydrophobicContact CG1-CZ3 3.98Å
59C91.8Very high69.6Low0 Ų072.8 Ų72.80%040%0.398CS..EExtended strand (participates in β ladder)trans-100.8134.5173.7-59.10000111.1I34 H35 L105 L113 L137 W138 V139 R140I34-C59 HydrophobicContact CG2-CB 4.17Å; H35-C59 WeakPolarHBondContact O-CA 3.38Å; C59-L105 HydrophobicContact CB-CD1 4.36Å; C59-L113 HydrophobicContact CB-CD1 4.15Å; C59-L137 VanDerWaalsContact SG-CD1 3.59Å; C59-W138 PolarHBondContact N-O 3.01Å; C59-V139 HydrophobicContact CB-CB 4.36Å; C59-V139 HydrophobicContact CB-CG1 4.03Å; C59-V139 HydrophobicContact CB-CG2 3.99Å; C59-R140 PolarHBondContact O-N 3Å
60E91.1Very high67.8Low30 Ų3075.6 Ų75.614%0.1442%0.422CS..EExtended strand (participates in β ladder)trans-146.3171.2177.166.1-173.1175.500110.8I34 H35 P102 R140I34-E60 CarbonylContact C-O 3.5Å; I34-E60 WeakPolarHBondContact CA-O 3.35Å; H35-E60 HydrophobicContact CB-CG 4.05Å; H35-E60 IonicContact CD2-OE1 2.7Å; H35-E60 PolarHBondContact N-O 3.2Å; H35-E60 PolarHBondContact O-N 2.96Å; E60-P102 VanDerWaalsContact OE2-CB 3.27Å; E60-P102 WeakPolarHBondContact OE2-CB 3.43Å; E60-R140 IonicContact OE2-CZ 3.83Å; E60-R140 IonicContact OE2-NE 3.6Å; E60-R140 IonicContact OE2-NH1 3.71Å; E60-R140 PolarHBondContact OE2-NH1 3.19Å
61K89.9Confident65.9Low110 Ų11081.8 Ų81.848%0.47846%0.458SS..EExtended strand (participates in β ladder)trans-75.2131178.4-171.3179.9179.3-175.30109.8D33 V63 Q103 L105D33-K61 WeakPolarHBondContact O-CA 3.31Å; K61-V63 PolarHBondContact O-N 3.36Å; K61-Q103 HydrophobicContact CB-CB 3.88Å; K61-Q103 WeakPolarHBondContact CB-O 3.15Å; K61-Q103 PolarHBondContact N-O 3.45Å; K61-L105 HydrophobicContact CB-CD2 3.87Å; K61-L105 HydrophobicContact CG-CD2 4.37Å
62A83.1Confident63.9Low27 Ų2785 Ų8522%0.22349%0.492CS..PPolyproline II helixtrans-65.1124.7175.400000110.1D33 H35D33-A62 PolarHBondContact O-N 3.39Å; H35-A62 HydrophobicContact CB-CB 4.47Å
63V73.4Confident61.8Low75 Ų7591.1 Ų91.146%0.45552%0.518SS..PPolyproline II helixtrans-86.5122.3169.1-175.60000107.4K61 K65 Q103K61-V63 PolarHBondContact O-N 3.36Å; V63-K65 PolarHBondContact O-N 3Å; V63-K65 VanDerWaalsContact O-N 3.09Å; V63-Q103 HydrophobicContact CG2-CB 4.39Å; V63-Q103 HydrophobicContact CG2-CG 3.74Å
64P56.3Low59.7Low112 Ų11293.5 Ų93.573%0.72753%0.525SS*.PPolyproline II helixtrans-60.6117.6172.8-16.528.7000108.3I66P64-I66 PolarHBondContact O-N 3.48Å
65K47.2Very low57Low186 Ų18697.1 Ų97.181%0.80955%0.546SS*.  trans-59.7114.9164.5-75.8-175.7177.6-176.60106.4V63 I67V63-K65 PolarHBondContact O-N 3Å; V63-K65 VanDerWaalsContact O-N 3.09Å; K65-I67 HydrophobicContact CB-CG1 4.15Å; K65-I67 PolarHBondContact O-N 3.45Å
66I36.1Very low54.1Low169 Ų169101 Ų10187%0.86757%0.565SS**  trans-66.691.2163.5-61.6174.9000105.2P64 G68P64-I66 PolarHBondContact O-N 3.48Å; I66-G68 PolarHBondContact O-N 3.38Å
67I33.1Very low50.9Low161 Ų161106.7 Ų106.783%0.82660%0.6SS**  trans-76102.4169.1-63.2171.7000105.4K65K65-I67 HydrophobicContact CB-CG1 4.15Å; K65-I67 PolarHBondContact O-N 3.45Å
68G29.1Very low47.7Very low56 Ų56114.7 Ų114.758%0.57764%0.637SS**  trans-154.985.1178.300000110.6I66I66-G68 PolarHBondContact O-N 3.38Å
69L32.9Very low44.5Very low171 Ų171120.5 Ų120.590%0.89567%0.673SS**SBendtrans70.594164.4-61.9154.2000116.4
70C29.6Very low41.3Very low131 Ų131128.9 Ų128.989%0.88572%0.717SS**  trans-176.970.1132.6-94.10000108.9
71D28.3Very low38.2Very low171 Ų171134.5 Ų134.591%0.91475%0.748SS**  trans-109.9124.4150.7-83.1-33.6000105.9
72G28.4Very low35.1Very low70 Ų70134.3 Ų134.372%0.72276%0.759SS**  trans-77.1163.2-163.500000115
73D26.6Very low32.4Very low171 Ų171139.7 Ų139.791%0.91479%0.789SS**  trans-157.2130.9139.5-100.5-22.1000109.1
74E30Very low30.3Very low186 Ų186140 Ų14087%0.86980%0.8SS**  trans-61.2128.5167.9-67.1178.714300110
75L27.7Very low28.9Very low156 Ų156142.1 Ų142.182%0.81781%0.805SS**  trans-156.3106.4149.4-130.6113.2000112.1
76N25.4Very low28Very low138 Ų138138.9 Ų138.974%0.73881%0.806SS**  trans43.7117.4138.8-63.1-21.1000121.3
77T25.1Very low27.7Very low120 Ų120138.1 Ų138.174%0.73680%0.803SS**  27.2128.6123.82.70000120.9
78E24.6Very low27.5Very low168 Ų168138.5 Ų138.579%0.78581%0.807SS**  trans110.5117.5142.4-66.4-177.4-166.700119.2
79T25.1Very low27.6Very low122 Ų122139.9 Ų139.975%0.74881%0.813SS**  trans70.9109.8149.338.10000119.9
80L25.4Very low27.5Very low176 Ų176141 Ų14192%0.92181%0.814SS**  -166.1132108.1-100.8147.3000112.1
81N25.7Very low27.4Very low148 Ų148141.9 Ų141.979%0.79181%0.81SS**  trans-72.8144.9-176-79.9-32.2000114
82C24.9Very low27.3Very low106 Ų106139.2 Ų139.272%0.71681%0.805SS**  trans31.5128.5137.2-49.60000120.7
83T26.4Very low27.2Very low141 Ų141140.7 Ų140.787%0.86580%0.803SS**  -173.8125.3108.419.20000113.8
84A28.4Very low27.1Very low82 Ų82139.9 Ų139.968%0.67880%0.799SS**  trans25.3120.3139.600000121.2
85D26.1Very low27Very low155 Ų155136.6 Ų136.683%0.82979%0.791SS**  148.814598.5-94-20.7000114.2
86S29.3Very low27.1Very low118 Ų118135.9 Ų135.983%0.82579%0.787SS**  trans87.4119.4159.767.20000120.5
87D28.7Very low27.2Very low153 Ų153138.2 Ų138.282%0.81879%0.794SS**  trans-50.2136.1165.6-58-57.7000113.5
88D29.8Very low27.4Very low169 Ų169138.2 Ų138.290%0.90479%0.793SS**  -158130128.5-95.4-32.8000108.9
89A31.2Very low27.9Very low86 Ų86139.1 Ų139.171%0.71180%0.798SS**  trans-87.6155.7-172.400000112
90E29.9Very low29.3Very low193 Ų193140.6 Ų140.690%0.90280%0.796SS**  trans72.696.9156.3-62.2178.2-166.700117.4
91D28.5Very low31.3Very low151 Ų151134.2 Ų134.281%0.80777%0.773SS**  -174.286.3112.4-158.93.9000109.2
92S25.7Very low34Very low114 Ų114129 Ų12980%0.79775%0.747SS**  trans-116.593.3164.5670000107.9D94S92-D94 PolarHBondContact O-N 3.5Å
93C26.5Very low36.9Very low102 Ų102127.4 Ų127.469%0.68973%0.729SS**  trans-45.7106.4162.8-81.80000109.6V95C93-V95 HydrophobicContact CB-CG2 4.13Å; C93-V95 PolarHBondContact O-N 3.4Å
94D24.4Very low40Very low154 Ų154122.1 Ų122.182%0.82470%0.697SS**  trans-71.279.7166.9-1441.7000106.9S92 L96S92-D94 PolarHBondContact O-N 3.5Å; D94-L96 PolarHBondContact O-N 2.98Å
95V28.5Very low43Very low116 Ų116118.6 Ų118.670%0.70367%0.667SS**  trans-73.488.3171.9-178.90000106.5C93 Q97C93-V95 HydrophobicContact CB-CG2 4.13Å; C93-V95 PolarHBondContact O-N 3.4Å; V95-Q97 PolarHBondContact O-N 3.43Å
96L28.5Very low46.1Very low141 Ų141114.7 Ų114.774%0.73865%0.649SS**  trans-46.9108.2159.3-74.3164.2000107.7D94 T98D94-L96 PolarHBondContact O-N 2.98Å; L96-T98 VanDerWaalsContact C-N 3.27Å; L96-T98 PolarHBondContact O-N 2.87Å; L96-T98 PolarHBondContact O-OG1 3.32Å
97Q27.4Very low49Very low188 Ų188109.3 Ų109.388%0.87961%0.611SS**  trans-61.194.3172.4-72-178.2-5.100107.9V95 E99V95-Q97 PolarHBondContact O-N 3.43Å; Q97-E99 PolarHBondContact O-N 2.97Å
98T29.8Very low52.1Low119 Ų119107.5 Ų107.573%0.7360%0.599SS**  trans-71.2114.6167.1-450000105.4L96 Q100L96-T98 VanDerWaalsContact C-N 3.27Å; L96-T98 PolarHBondContact O-N 2.87Å; L96-T98 PolarHBondContact O-OG1 3.32Å; T98-Q100 PolarHBondContact O-N 3.03Å
99E35.4Very low55Low188 Ų188101.3 Ų101.388%0.87956%0.564SS**  trans-51.5111.5170.1-69.1-159.8159.100108.1Q97 G101Q97-E99 PolarHBondContact O-N 2.97Å; E99-G101 PolarHBondContact O-N 3.29Å; E99-G101 VanDerWaalsContact O-N 3.08Å
100Q54.6Low58Low152 Ų15297.2 Ų97.271%0.7153%0.53SS*.  trans-67.7113.1-179.9-76.1179.6-3.100107.8T98T98-Q100 PolarHBondContact O-N 3.03Å
101G67.9Low61Low42 Ų4293.3 Ų93.343%0.43351%0.507SS..PPolyproline II helixtrans-57.5171.9176.100000113.5E99 Q103E99-G101 PolarHBondContact O-N 3.29Å; E99-G101 VanDerWaalsContact O-N 3.08Å; G101-Q103 PolarHBondContact O-N 2.8Å; G101-Q103 PolarHBondContact O-NE2 3.22Å
102P81.4Confident64.1Low40 Ų4091.3 Ų91.326%0.2649%0.493SS..PPolyproline II helixtrans-54.2135.9-175.820.7-31.7000112.1E60 H560E60-P102 VanDerWaalsContact OE2-CB 3.27Å; E60-P102 WeakPolarHBondContact OE2-CB 3.43Å; P102-H560 HydrophobicContact CB-CB 4.29Å; P102-H560 HydrophobicContact CG-CB 3.98Å; P102-H560 VanDerWaalsContact O-CB 3.26Å; P102-H560 WeakPolarHBondContact O-CB 3.25Å
103Q87Confident67.3Low72 Ų7286 Ų8634%0.33646%0.456SS..PPolyproline II helixtrans-98.6125.5-173.4-69.5-65.4-4600111.9K61 V63 G101K61-Q103 HydrophobicContact CB-CB 3.88Å; K61-Q103 WeakPolarHBondContact CB-O 3.15Å; K61-Q103 PolarHBondContact N-O 3.45Å; V63-Q103 HydrophobicContact CG2-CB 4.39Å; V63-Q103 HydrophobicContact CG2-CG 3.74Å; G101-Q103 PolarHBondContact O-N 2.8Å; G101-Q103 PolarHBondContact O-NE2 3.22Å
104P90.5Very high70.5Confident29 Ų2981.8 Ų81.819%0.18843%0.426CS..PPolyproline II helixtrans-72156.6179.725.5-30.3000113.7R140 C141 D142P104-R140 HydrophobicContact CB-CB 4.49Å; P104-C141 VanDerWaalsContact CB-C 3.46Å; P104-D142 HydrophobicContact CB-CB 4.1Å; P104-D142 HydrophobicContact CG-CB 4.1Å
105L91.3Very high73.7Confident9 Ų977.6 Ų77.65%0.04741%0.409CS..BIsolated β-bridgetrans-91.4160.4165.8-67.4171.4000110.6I34 C59 K61 L113 V139 R140 C141 D142I34-L105 HydrophobicContact CG1-CD1 4.09Å; I34-L105 HydrophobicContact CG1-CD2 4.05Å; I34-L105 HydrophobicContact CG2-CD1 4.33Å; C59-L105 HydrophobicContact CB-CD1 4.36Å; K61-L105 HydrophobicContact CB-CD2 3.87Å; K61-L105 HydrophobicContact CG-CD2 4.37Å; L105-L113 HydrophobicContact CD1-CD1 3.86Å; L105-V139 HydrophobicContact CB-CG1 4.46Å; L105-V139 HydrophobicContact CD1-CG1 3.8Å; L105-R140 PolarHBondContact N-O 3.4Å; L105-C141 CarbonylContact O-C 3.56Å; L105-C141 WeakPolarHBondContact O-CA 3.45Å; L105-D142 PolarHBondContact O-N 2.86Å
106T91.8Very high76.7Confident72 Ų7273.1 Ų73.144%0.44238%0.381SS..PPolyproline II helixtrans-64143.3171.167.30000110.6M108 K109 A110 D142T106-M108 PolarHBondContact O-N 3.25Å; T106-K109 PolarHBondContact O-N 2.86Å; T106-K109 WeakPolarHBondContact OG1-CB 3.15Å; T106-K109 PolarHBondContact OG1-N 3.15Å; T106-A110 PolarHBondContact O-N 2.91Å; T106-D142 WeakPolarHBondContact CA-OD2 3.4Å
107V91.1Very high79.7Confident6 Ų666.4 Ų66.44%0.03635%0.346CS..Hα-helixtrans-48.9-36.4175.4172.60000111.2R111 C141 D142 D145 F152V107-R111 WeakPolarHBondContact O-CG 3.34Å; V107-R111 PolarHBondContact O-N 2.76Å; V107-R111 VanDerWaalsContact O-N 3.08Å; V107-C141 HydrophobicContact CG2-CB 4.3Å; V107-D142 WeakPolarHBondContact CG2-OD1 3.49Å; V107-D142 PolarHBondContact N-OD1 3.18Å; V107-D145 HydrophobicContact CB-CB 4.47Å; V107-D145 HydrophobicContact CG1-CB 4.08Å; V107-D145 HydrophobicContact CG2-CB 4.09Å; V107-F152 HydrophobicContact CG1-CE2 3.79Å; V107-F152 HydrophobicContact CG1-CZ 4.14Å
108M91.9Very high82.8Confident115 Ų11558.8 Ų58.857%0.56731%0.312SS*.Hα-helixtrans-70.7-43.7179.1-71.7-49-34.600113.9T106 A110 R111 Q112T106-M108 PolarHBondContact O-N 3.25Å; M108-A110 VanDerWaalsContact C-N 3.31Å; M108-R111 HydrophobicContact CE-CB 4.44Å; M108-R111 PolarHBondContact O-N 3.02Å; M108-Q112 WeakPolarHBondContact O-CG 3.25Å; M108-Q112 PolarHBondContact O-N 3.49Å; M108-Q112 VanDerWaalsContact O-N 3.11Å
109K92.3Very high85.6Confident39 Ų3955.8 Ų55.817%0.1729%0.291CS..Hα-helixtrans-64.3-40.4175.9-171.376.2179.8-1650110.3E31 I34 T106 R111 Q112 L113E31-K109 IonicContact OE2-NZ 3.56Å; E31-K109 PolarHBondContact OE2-NZ 2.85Å; I34-K109 HydrophobicContact CD1-CD 4.49Å; I34-K109 HydrophobicContact CD1-CG 4.37Å; T106-K109 PolarHBondContact O-N 2.86Å; T106-K109 WeakPolarHBondContact OG1-CB 3.15Å; T106-K109 PolarHBondContact OG1-N 3.15Å; K109-R111 PolarHBondContact O-N 3.26Å; K109-Q112 WeakPolarHBondContact O-CB 3.33Å; K109-Q112 PolarHBondContact O-N 3.39Å; K109-Q112 VanDerWaalsContact O-N 3.12Å; K109-L113 PolarHBondContact O-N 3.18Å
110A93.1Very high88.1Confident0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-58.9-45.8175.500000112.5T106 M108 Q112 L113 L114 V139 C141 F152T106-A110 PolarHBondContact O-N 2.91Å; M108-A110 VanDerWaalsContact C-N 3.31Å; A110-Q112 VanDerWaalsContact C-N 3.3Å; A110-Q112 PolarHBondContact O-N 2.99Å; A110-L113 PolarHBondContact O-N 3.32Å; A110-L114 WeakPolarHBondContact O-CD1 3.48Å; A110-L114 PolarHBondContact O-N 3.48Å; A110-V139 HydrophobicContact CB-CB 3.99Å; A110-V139 HydrophobicContact CB-CG1 3.47Å; A110-V139 VanDerWaalsContact CB-CG1 3.47Å; A110-C141 VanDerWaalsContact CB-SG 3.56Å; A110-F152 HydrophobicContact CB-CD2 3.82Å; A110-F152 HydrophobicContact CB-CE2 4.46Å
111R93.1Very high89.6Confident111 Ų11140.2 Ų40.242%0.41922%0.22SC..Hα-helixtrans-61.2-36.5174.6-72.4177.5-170-86.13.7113V107 M108 K109 S115 F152V107-R111 WeakPolarHBondContact O-CG 3.34Å; V107-R111 PolarHBondContact O-N 2.76Å; V107-R111 VanDerWaalsContact O-N 3.08Å; M108-R111 HydrophobicContact CE-CB 4.44Å; M108-R111 PolarHBondContact O-N 3.02Å; K109-R111 PolarHBondContact O-N 3.26Å; R111-S115 WeakPolarHBondContact O-CB 3.41Å; R111-S115 PolarHBondContact O-N 3.17Å; R111-S115 PolarHBondContact O-OG 2.91Å; R111-F152 HydrophobicContact CG-CD2 4.32Å; R111-F152 HydrophobicContact CG-CE2 3.74Å; R111-F152 HydrophobicContact CG-CZ 4.1Å; R111-F152 VanDerWaalsContact CZ-CZ 3.45Å
112Q93Very high90.5Very high109 Ų10939.8 Ų39.851%0.50921%0.207SC..Hα-helixtrans-63.1-46.4175.2-70.6174-1.800111.1M108 K109 A110 S115 L116M108-Q112 WeakPolarHBondContact O-CG 3.25Å; M108-Q112 PolarHBondContact O-N 3.49Å; M108-Q112 VanDerWaalsContact O-N 3.11Å; K109-Q112 WeakPolarHBondContact O-CB 3.33Å; K109-Q112 PolarHBondContact O-N 3.39Å; K109-Q112 VanDerWaalsContact O-N 3.12Å; A110-Q112 VanDerWaalsContact C-N 3.3Å; A110-Q112 PolarHBondContact O-N 2.99Å; Q112-S115 WeakPolarHBondContact O-CB 3.38Å; Q112-S115 PolarHBondContact O-N 3.23Å; Q112-S115 VanDerWaalsContact O-N 3.14Å; Q112-L116 WeakPolarHBondContact O-CG 3.5Å; Q112-L116 PolarHBondContact O-N 3.43Å
113L93.3Very high90.4Very high2 Ų241.1 Ų41.11%0.0122%0.216CC..Hα-helixtrans-61.3-45.3177.4-66.3176.6000112.2F12 Y30 I34 C59 L105 K109 A110 S115 L116 Y117 V139F12-L113 HydrophobicContact CE2-CD2 3.99Å; F12-L113 HydrophobicContact CZ-CD2 4.1Å; Y30-L113 HydrophobicContact CD1-CD2 4.25Å; Y30-L113 HydrophobicContact CE1-CD2 4.1Å; I34-L113 HydrophobicContact CD1-CD1 3.89Å; I34-L113 HydrophobicContact CD1-CD2 3.94Å; I34-L113 HydrophobicContact CD1-CG 4.34Å; I34-L113 HydrophobicContact CG2-CD1 4.37Å; C59-L113 HydrophobicContact CB-CD1 4.15Å; L105-L113 HydrophobicContact CD1-CD1 3.86Å; K109-L113 PolarHBondContact O-N 3.18Å; A110-L113 PolarHBondContact O-N 3.32Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.92Å; L113-L116 PolarHBondContact O-N 2.67Å; L113-Y117 WeakPolarHBondContact O-CB 3.46Å; L113-Y117 PolarHBondContact O-N 3Å; L113-V139 HydrophobicContact CD1-CG1 4.42Å
114L93.3Very high89.9Confident14 Ų1441.1 Ų41.17%0.07324%0.235CC..Hα-helixtrans-60.8-37174.5-90.482.1000112.1A110 Y117 T118 V139 F152 A154 L168A110-L114 WeakPolarHBondContact O-CD1 3.48Å; A110-L114 PolarHBondContact O-N 3.48Å; L114-Y117 PolarHBondContact O-N 2.85Å; L114-T118 VanDerWaalsContact O-CB 3.31Å; L114-T118 WeakPolarHBondContact O-CB 3.38Å; L114-T118 PolarHBondContact O-N 3.26Å; L114-T118 PolarHBondContact O-OG1 3.27Å; L114-V139 HydrophobicContact CD1-CB 4.23Å; L114-V139 HydrophobicContact CD1-CG2 3.51Å; L114-F152 HydrophobicContact CD1-CB 3.61Å; L114-F152 HydrophobicContact CD2-CB 3.68Å; L114-F152 HydrophobicContact CD2-CG 4.38Å; L114-F152 HydrophobicContact CG-CB 4.31Å; L114-A154 HydrophobicContact CD2-CB 4.18Å; L114-A154 HydrophobicContact CG-CB 4.23Å; L114-L168 HydrophobicContact CD2-CD2 4.29Å
115S92.4Very high89.2Confident66 Ų6642.2 Ų42.246%0.46224%0.241SC..Hα-helixtrans-66.9-43177.3-580000111.4R111 Q112 L113 T118 L119R111-S115 WeakPolarHBondContact O-CB 3.41Å; R111-S115 PolarHBondContact O-N 3.17Å; R111-S115 PolarHBondContact O-OG 2.91Å; Q112-S115 WeakPolarHBondContact O-CB 3.38Å; Q112-S115 PolarHBondContact O-N 3.23Å; Q112-S115 VanDerWaalsContact O-N 3.14Å; L113-S115 VanDerWaalsContact C-N 3.26Å; L113-S115 PolarHBondContact O-N 2.92Å; S115-T118 PolarHBondContact O-N 2.98Å; S115-L119 WeakPolarHBondContact O-CB 3.3Å; S115-L119 VanDerWaalsContact O-CG 3.25Å; S115-L119 WeakPolarHBondContact O-CG 3.23Å; S115-L119 PolarHBondContact O-N 2.99Å
116L91.6Very high87.8Confident22 Ų2243 Ų4312%0.11525%0.247CC..Hα-helixtrans-61.3-46.7174.4-67.7174.9000111.2R8 A9 F12 Q112 L113 T118 L119 S120R8-L116 HydrophobicContact CB-CD2 4.01Å; A9-L116 HydrophobicContact CB-CD2 4.11Å; F12-L116 HydrophobicContact CD1-CB 4.02Å; F12-L116 HydrophobicContact CG-CB 4.47Å; Q112-L116 WeakPolarHBondContact O-CG 3.5Å; Q112-L116 PolarHBondContact O-N 3.43Å; L113-L116 PolarHBondContact O-N 2.67Å; L116-T118 PolarHBondContact O-N 3.27Å; L116-L119 PolarHBondContact O-N 3.3Å; L116-S120 WeakPolarHBondContact O-CB 3.42Å; L116-S120 PolarHBondContact O-N 2.88Å
117Y92.3Very high86Confident0 Ų044.8 Ų44.80%027%0.27CS..Hα-helixtrans-57-50.8175.3-179.1-95.2000111.4L16 L113 L114 L119 S120 Q121 L134 H135 L137 A154 I156 I166L16-Y117 HydrophobicContact CD1-CD2 3.79Å; L16-Y117 HydrophobicContact CD1-CE2 4.19Å; L113-Y117 WeakPolarHBondContact O-CB 3.46Å; L113-Y117 PolarHBondContact O-N 3Å; L114-Y117 PolarHBondContact O-N 2.85Å; Y117-L119 PolarHBondContact O-N 3.27Å; Y117-S120 PolarHBondContact O-N 3.3Å; Y117-S120 PolarHBondContact O-OG 3.26Å; Y117-Q121 HydrophobicContact CE1-CG 4.45Å; Y117-Q121 WeakPolarHBondContact O-CG 3.43Å; Y117-Q121 PolarHBondContact O-N 3.49Å; Y117-L134 HydrophobicContact CD2-CD1 4.23Å; Y117-L134 HydrophobicContact CE2-CB 3.8Å; Y117-L134 HydrophobicContact CE2-CD1 3.87Å; Y117-L134 PolarHBondContact OH-O 3.1Å; Y117-H135 PolarHBondContact OH-O 2.87Å; Y117-L137 HydrophobicContact CD1-CB 4.41Å; Y117-L137 HydrophobicContact CD2-CB 3.88Å; Y117-L137 HydrophobicContact CD2-CD2 3.84Å; Y117-L137 HydrophobicContact CD2-CG 4.42Å; Y117-L137 HydrophobicContact CE1-CB 4.44Å; Y117-L137 HydrophobicContact CE2-CB 3.89Å; Y117-L137 HydrophobicContact CG-CB 4.13Å; Y117-L137 HydrophobicContact CG-CD2 3.79Å; Y117-A154 HydrophobicContact CD1-CB 3.75Å; Y117-A154 HydrophobicContact CE1-CB 3.89Å; Y117-I156 HydrophobicContact CE1-CD1 3.93Å; Y117-I156 HydrophobicContact CE1-CG1 4.05Å; Y117-I166 HydrophobicContact CD1-CD1 4.1Å; Y117-I166 HydrophobicContact CE1-CD1 4.18Å
118T91.1Very high84.2Confident27 Ų2749.1 Ų49.117%0.16630%0.296CS..Hα-helixtrans-59.5-45.9179.9-56.80000112L114 S115 L116 S120 Q121 N122 I166 F593L114-T118 VanDerWaalsContact O-CB 3.31Å; L114-T118 WeakPolarHBondContact O-CB 3.38Å; L114-T118 PolarHBondContact O-N 3.26Å; L114-T118 PolarHBondContact O-OG1 3.27Å; S115-T118 PolarHBondContact O-N 2.98Å; L116-T118 PolarHBondContact O-N 3.27Å; T118-S120 VanDerWaalsContact C-N 3.33Å; T118-S120 PolarHBondContact O-N 3.48Å; T118-Q121 PolarHBondContact O-N 2.97Å; T118-N122 PolarHBondContact O-N 3.13Å; T118-N122 VanDerWaalsContact O-N 3.16Å; T118-I166 HydrophobicContact CG2-CD1 3.92Å; T118-I166 HydrophobicContact CG2-CG2 4.03Å; T118-I166 VanDerWaalsContact OG1-CD1 3.32Å; T118-I166 WeakPolarHBondContact OG1-CD1 3.37Å; T118-F593 HydrophobicContact CG2-CE1 3.81Å; T118-F593 HydrophobicContact CG2-CZ 3.97Å
119L89.5Confident82.2Confident56 Ų5651.3 Ų51.329%0.29331%0.31SS..Hα-helixtrans-64-39.6178.7-74.2170.9000111.7V5 A9 S115 L116 Y117 Q121 N122 V125V5-L119 HydrophobicContact CG1-CD1 3.83Å; A9-L119 HydrophobicContact CB-CB 4.07Å; S115-L119 WeakPolarHBondContact O-CB 3.3Å; S115-L119 VanDerWaalsContact O-CG 3.25Å; S115-L119 WeakPolarHBondContact O-CG 3.23Å; S115-L119 PolarHBondContact O-N 2.99Å; L116-L119 PolarHBondContact O-N 3.3Å; Y117-L119 PolarHBondContact O-N 3.27Å; L119-Q121 PolarHBondContact O-N 3.32Å; L119-N122 PolarHBondContact O-N 3.44Å; L119-V125 HydrophobicContact CD2-CG2 4.12Å
120S87.3Confident80.5Confident8 Ų856.3 Ų56.36%0.05634%0.339CS..Hα-helixtrans-67-25.2-179.178.60000114.1A9 L116 Y117 T118 N131A9-S120 WeakPolarHBondContact O-CB 3.45Å; L116-S120 WeakPolarHBondContact O-CB 3.42Å; L116-S120 PolarHBondContact O-N 2.88Å; Y117-S120 PolarHBondContact O-N 3.3Å; Y117-S120 PolarHBondContact O-OG 3.26Å; T118-S120 VanDerWaalsContact C-N 3.33Å; T118-S120 PolarHBondContact O-N 3.48Å; S120-N131 PolarHBondContact O-ND2 3.36Å
121Q86.4Confident79.2Confident6 Ų658.5 Ų58.53%0.02835%0.35CS..Hα-helixtrans-98.9-4.7-179.5-63.3-66.9-54.400112.6Y117 T118 L119 P123 L134 I156Y117-Q121 HydrophobicContact CE1-CG 4.45Å; Y117-Q121 WeakPolarHBondContact O-CG 3.43Å; Y117-Q121 PolarHBondContact O-N 3.49Å; T118-Q121 PolarHBondContact O-N 2.97Å; L119-Q121 PolarHBondContact O-N 3.32Å; Q121-P123 VanDerWaalsContact O-CD 3.31Å; Q121-P123 WeakPolarHBondContact O-CD 3.41Å; Q121-L134 VanDerWaalsContact NE2-CD1 3.3Å; Q121-I156 HydrophobicContact CB-CD1 3.38Å; Q121-I156 HydrophobicContact CB-CG1 3.98Å; Q121-I156 HydrophobicContact CG-CD1 3.67Å; Q121-I156 HydrophobicContact CG-CG1 3.83Å
122N86.3Confident78.4Confident33 Ų3356.2 Ų56.218%0.17635%0.35CS..  trans-80.7116.1179.6-175.3-16.6000110.3T118 L119 G124 V125 S126 F593T118-N122 PolarHBondContact O-N 3.13Å; T118-N122 VanDerWaalsContact O-N 3.16Å; L119-N122 PolarHBondContact O-N 3.44Å; N122-G124 PolarHBondContact O-N 3.29Å; N122-G124 VanDerWaalsContact O-N 3.13Å; N122-G124 PolarHBondContact OD1-N 3.29Å; N122-V125 HydrophobicContact CB-CB 4.41Å; N122-V125 HydrophobicContact CB-CG2 4Å; N122-V125 PolarHBondContact O-N 3.22Å; N122-S126 PolarHBondContact O-N 2.91Å; N122-F593 HydrophobicContact CB-CD1 4.21Å; N122-F593 HydrophobicContact CB-CE1 4.11Å; N122-F593 HydrophobicContact CB-CZ 4.31Å
123P80.5Confident78Confident67 Ų6754.7 Ų54.744%0.43535%0.345SS..THydrogen-bonded Turntrans-59.5-26.2179.4-22.734000113.8Q121 V125 V163Q121-P123 VanDerWaalsContact O-CD 3.31Å; Q121-P123 WeakPolarHBondContact O-CD 3.41Å; P123-V125 PolarHBondContact O-N 3.43Å; P123-V163 HydrophobicContact CG-CB 3.95Å
124G76.4Confident77.8Confident73 Ų7354.9 Ų54.975%0.75335%0.346SS*.THydrogen-bonded Turntrans-75-9.9178.600000114.6N122N122-G124 PolarHBondContact O-N 3.29Å; N122-G124 VanDerWaalsContact O-N 3.13Å; N122-G124 PolarHBondContact OD1-N 3.29Å
125V75.9Confident77.7Confident51 Ų5156.8 Ų56.831%0.30935%0.354SS..THydrogen-bonded Turntrans-105.4-35.1-177.8-179.60000111.7V6 L119 N122 P123V6-V125 HydrophobicContact CG1-CG1 4.15Å; V6-V125 HydrophobicContact CG2-CG1 3.89Å; L119-V125 HydrophobicContact CD2-CG2 4.12Å; N122-V125 HydrophobicContact CB-CB 4.41Å; N122-V125 HydrophobicContact CB-CG2 4Å; N122-V125 PolarHBondContact O-N 3.22Å; P123-V125 PolarHBondContact O-N 3.43Å
126S61.7Low77.7Confident25 Ų2554.3 Ų54.318%0.17534%0.336CS..  trans-90.1130.3178.964.10000111.9N122 V128N122-S126 PolarHBondContact O-N 2.91Å; S126-V128 PolarHBondContact O-N 2.89Å
127A53.7Low77.8Confident111 Ų11153.2 Ų53.292%0.91733%0.331SS*.SBendtrans-75.40.8174.200000114.1
128V52.9Low78Confident97 Ų9753.2 Ų53.259%0.58833%0.331SS*.SBendtrans-108.9112.1-176.3-173.30000108.9S126 N130S126-V128 PolarHBondContact O-N 2.89Å; V128-N130 PolarHBondContact O-N 3.35Å
129D49.4Very low78.1Confident160 Ų16052 Ų5286%0.85632%0.323SS*.SBendtrans-65.87.8-170.7-102.1-26.9000116
130N56.9Low78.2Confident145 Ų14549.8 Ų49.878%0.77531%0.311SS*.  trans-152.958.6-172.5-77.5-43.1000113.5V128V128-N130 PolarHBondContact O-N 3.35Å
131N65.8Low78.5Confident45 Ų4549.4 Ų49.424%0.24131%0.308CS..PPolyproline II helixtrans-72.1131.5165.8-82.5-16.7000110S120S120-N131 PolarHBondContact O-ND2 3.36Å
132P76Confident78.5Confident63 Ų6351.9 Ų51.941%0.40932%0.322SS..PPolyproline II helixtrans-65.2143.5175.728.3-33.7000110.1R17 L134R17-P132 HydrophobicContact CG-CG 4.07Å; P132-L134 PolarHBondContact O-N 3.29Å
133I85.1Confident78.6Confident78 Ų7852.7 Ų52.740%0.432%0.322SS..PPolyproline II helixtrans-68.9122.1178.5-59.6157000108Q20 I156 C158Q20-I133 PolarHBondContact NE2-O 2.83Å; Q20-I133 VanDerWaalsContact NE2-O 3.1Å; I133-I156 HydrophobicContact CG2-CB 4.13Å; I133-I156 HydrophobicContact CG2-CG2 4.24Å; I133-C158 HydrophobicContact CD1-CB 4.36Å; I133-C158 WeakPolarHBondContact CD1-SG 3.3Å
134L89.4Confident78.8Confident6 Ų653.4 Ų53.43%0.03133%0.328CS..PPolyproline II helixtrans-79.1152.6176.3-70.7177.5000111.3L16 R17 F57 Y117 Q121 P132L16-L134 HydrophobicContact CB-CD1 3.86Å; L16-L134 HydrophobicContact CB-CD2 3.99Å; L16-L134 HydrophobicContact CD1-CD1 3.89Å; R17-L134 HydrophobicContact CB-CD2 4.48Å; R17-L134 HydrophobicContact CG-CD2 3.7Å; F57-L134 HydrophobicContact CE2-CB 4.38Å; F57-L134 HydrophobicContact CE2-CD2 4.45Å; Y117-L134 HydrophobicContact CD2-CD1 4.23Å; Y117-L134 HydrophobicContact CE2-CB 3.8Å; Y117-L134 HydrophobicContact CE2-CD1 3.87Å; Y117-L134 PolarHBondContact OH-O 3.1Å; Q121-L134 VanDerWaalsContact NE2-CD1 3.3Å; P132-L134 PolarHBondContact O-N 3.29Å
135H90.9Very high79.4Confident54 Ų5451.2 Ų51.225%0.2530%0.3CS..PPolyproline II helixtrans-57154.7166.3-65-53.7000111.7Q20 F57 Y117 L137Q20-H135 PolarHBondContact OE1-CD2 3.42Å; Q20-H135 VanDerWaalsContact OE1-CD2 3.28Å; F57-H135 HydrophobicContact CD2-CB 3.88Å; F57-H135 HydrophobicContact CE2-CB 3.61Å; F57-H135 HydrophobicContact CZ-CB 4.08Å; F57-H135 AromaticContact CZ-CD2 3.92Å; Y117-H135 PolarHBondContact OH-O 2.87Å; H135-L137 PolarHBondContact O-N 3Å
136P92.8Very high79.8Confident13 Ų1355.9 Ų55.98%0.08433%0.331CS..PPolyproline II helixtrans-56.5139.1176.1-23.133.1000111.8F51 I56 F57 A154 E155F51-P136 HydrophobicContact CD1-CB 4.27Å; F51-P136 HydrophobicContact CD1-CG 3.93Å; F51-P136 HydrophobicContact CE1-CB 3.94Å; F51-P136 HydrophobicContact CE1-CG 3.67Å; I56-P136 WeakPolarHBondContact CA-O 3.43Å; I56-P136 HydrophobicContact CG2-CB 4.13Å; I56-P136 HydrophobicContact CG2-CG 4.34Å; F57-P136 PolarHBondContact N-O 2.93Å; P136-A154 CarbonylContact C-O 3.53Å; P136-A154 VanDerWaalsContact CA-O 3.28Å; P136-A154 WeakPolarHBondContact CA-O 3.45Å; P136-E155 HydrophobicContact CB-CB 4.36Å; P136-E155 HydrophobicContact CG-CB 4.48Å; P136-E155 HydrophobicContact CG-CG 4.23Å
137L94.4Very high80.8Confident0 Ų057.4 Ų57.40%035%0.345CS..EExtended strand (participates in β ladder)trans-103.4129.2-179.8-176.970.4000110.3F12 F57 C59 Y117 H135 V139 G153 A154F12-L137 HydrophobicContact CE1-CD2 4.01Å; F12-L137 HydrophobicContact CZ-CD2 4.19Å; F57-L137 HydrophobicContact CB-CD1 3.63Å; C59-L137 VanDerWaalsContact SG-CD1 3.59Å; Y117-L137 HydrophobicContact CD1-CB 4.41Å; Y117-L137 HydrophobicContact CD2-CB 3.88Å; Y117-L137 HydrophobicContact CD2-CD2 3.84Å; Y117-L137 HydrophobicContact CD2-CG 4.42Å; Y117-L137 HydrophobicContact CE1-CB 4.44Å; Y117-L137 HydrophobicContact CE2-CB 3.89Å; Y117-L137 HydrophobicContact CG-CB 4.13Å; Y117-L137 HydrophobicContact CG-CD2 3.79Å; H135-L137 PolarHBondContact O-N 3Å; L137-V139 HydrophobicContact CG-CG2 4.49Å; L137-G153 CarbonylContact O-C 3.57Å; L137-G153 VanDerWaalsContact O-CA 3.22Å; L137-G153 WeakPolarHBondContact O-CA 2.99Å; L137-A154 PolarHBondContact N-O 3.09Å; L137-A154 PolarHBondContact O-N 3.41Å
138W94.6Very high82.4Confident0 Ų052.8 Ų52.80%031%0.308CS..EExtended strand (participates in β ladder)trans-124141.8176.5-74.588000110.7V47 F51 I56 F57 V58 C59 W151 F152 Y169 I171 M586V47-W138 HydrophobicContact CG1-CD2 3.88Å; V47-W138 VanDerWaalsContact CG1-CE2 3.48Å; V47-W138 HydrophobicContact CG1-CE3 4.44Å; V47-W138 HydrophobicContact CG1-CG 4.28Å; V47-W138 HydrophobicContact CG1-CH2 4.3Å; V47-W138 HydrophobicContact CG1-CZ2 3.72Å; V47-W138 HydrophobicContact CG2-CD2 3.94Å; V47-W138 HydrophobicContact CG2-CE3 3.75Å; V47-W138 HydrophobicContact CG2-CH2 4.26Å; V47-W138 HydrophobicContact CG2-CZ2 4.44Å; V47-W138 HydrophobicContact CG2-CZ3 3.92Å; F51-W138 AromaticContact CD2-CZ2 3.58Å; F51-W138 HydrophobicContact CD2-CZ2 3.58Å; F51-W138 AromaticContact CD2-NE1 3.93Å; F51-W138 AromaticContact CE2-CZ2 3.5Å; F51-W138 HydrophobicContact CE2-CZ2 3.5Å; F51-W138 HydrophobicContact CZ-CZ2 4.48Å; I56-W138 HydrophobicContact CD1-CG 4.38Å; F57-W138 PolarHBondContact O-N 3.42Å; V58-W138 CarbonylContact C-O 3.51Å; V58-W138 VanDerWaalsContact CA-O 3.31Å; V58-W138 WeakPolarHBondContact CA-O 3.34Å; C59-W138 PolarHBondContact N-O 3.01Å; W138-W151 HydrophobicContact CB-CE3 4.18Å; W138-W151 HydrophobicContact CB-CZ3 4.12Å; W138-W151 HydrophobicContact CE3-CB 4.07Å; W138-W151 HydrophobicContact CE3-CE3 4.18Å; W138-W151 HydrophobicContact CZ3-CB 4.06Å; W138-F152 CarbonylContact C-O 3.52Å; W138-F152 VanDerWaalsContact CA-O 3.32Å; W138-F152 WeakPolarHBondContact CA-O 3.04Å; W138-Y169 HydrophobicContact CH2-CG 4.1Å; W138-Y169 HydrophobicContact CZ2-CD2 4.25Å; W138-Y169 HydrophobicContact CZ2-CG 4.24Å; W138-I171 HydrophobicContact CH2-CD1 4Å; W138-I171 HydrophobicContact CH2-CG1 4.46Å; W138-I171 HydrophobicContact CZ3-CD1 3.62Å; W138-I171 HydrophobicContact CZ3-CG1 4.04Å; W138-M586 HydrophobicContact CH2-CE 3.89Å
139V93.8Very high84.3Confident0 Ų048.3 Ų48.30%028%0.281CS..EExtended strand (participates in β ladder)trans-132125-177.5-170.90000110.5C59 L105 A110 L113 L114 L137 C141 W151 F152C59-V139 HydrophobicContact CB-CB 4.36Å; C59-V139 HydrophobicContact CB-CG1 4.03Å; C59-V139 HydrophobicContact CB-CG2 3.99Å; L105-V139 HydrophobicContact CB-CG1 4.46Å; L105-V139 HydrophobicContact CD1-CG1 3.8Å; A110-V139 HydrophobicContact CB-CB 3.99Å; A110-V139 HydrophobicContact CB-CG1 3.47Å; A110-V139 VanDerWaalsContact CB-CG1 3.47Å; L113-V139 HydrophobicContact CD1-CG1 4.42Å; L114-V139 HydrophobicContact CD1-CB 4.23Å; L114-V139 HydrophobicContact CD1-CG2 3.51Å; L137-V139 HydrophobicContact CG-CG2 4.49Å; V139-C141 PolarHBondContact O-SG 3.28Å; V139-C141 VanDerWaalsContact O-SG 3.4Å; V139-W151 WeakPolarHBondContact O-CA 3.43Å; V139-F152 PolarHBondContact N-O 2.9Å; V139-F152 PolarHBondContact O-N 3.42Å; V139-F152 VanDerWaalsContact O-N 3.14Å
140R92.8Very high86.3Confident11 Ų1140.7 Ų40.74%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-69.9131.4173.5-71.5-174.1168103.5-0110.3V58 C59 E60 P104 L105 W151 D559V58-R140 VanDerWaalsContact CG1-NH1 3.33Å; C59-R140 PolarHBondContact O-N 3Å; E60-R140 IonicContact OE2-CZ 3.83Å; E60-R140 IonicContact OE2-NE 3.6Å; E60-R140 IonicContact OE2-NH1 3.71Å; E60-R140 PolarHBondContact OE2-NH1 3.19Å; P104-R140 HydrophobicContact CB-CB 4.49Å; L105-R140 PolarHBondContact N-O 3.4Å; R140-W151 HydrophobicContact CB-CH2 4.47Å; R140-W151 HydrophobicContact CB-CZ3 4.37Å; R140-W151 HydrophobicContact CG-CD2 4.44Å; R140-W151 HydrophobicContact CG-CE3 4.05Å; R140-W151 HydrophobicContact CG-CH2 3.18Å; R140-W151 HydrophobicContact CG-CZ2 3.62Å; R140-W151 HydrophobicContact CG-CZ3 3.42Å; R140-W151 VanDerWaalsContact CG-CZ3 3.42Å; R140-D559 IonicContact CZ-OD2 2.63Å; R140-D559 IonicContact NE-OD1 3.53Å; R140-D559 IonicContact NE-OD2 3.82Å; R140-D559 IonicContact NH2-OD1 3.7Å; R140-D559 IonicContact NH2-OD2 3.95Å; R140-D559 PolarHBondContact NH2-OD2 3.49Å
141C91.9Very high88Confident0 Ų033.9 Ų33.90%020%0.204CC..BIsolated β-bridgetrans-122.3145.3-173.6-60.50000112P104 L105 V107 A110 V139 R143 T149 A150 F152 H560P104-C141 VanDerWaalsContact CB-C 3.46Å; L105-C141 CarbonylContact O-C 3.56Å; L105-C141 WeakPolarHBondContact O-CA 3.45Å; V107-C141 HydrophobicContact CG2-CB 4.3Å; A110-C141 VanDerWaalsContact CB-SG 3.56Å; V139-C141 PolarHBondContact O-SG 3.28Å; V139-C141 VanDerWaalsContact O-SG 3.4Å; C141-R143 VanDerWaalsContact C-N 3.3Å; C141-R143 PolarHBondContact O-N 2.83Å; C141-T149 HydrophobicContact CB-CG2 4.48Å; C141-T149 WeakPolarHBondContact CB-O 3.44Å; C141-A150 WeakPolarHBondContact CB-O 3.44Å; C141-A150 PolarHBondContact N-O 2.97Å; C141-F152 VanDerWaalsContact SG-CD2 3.54Å; C141-H560 PolarHBondContact O-NE2 3.37Å
142D88.2Confident89.4Confident58 Ų5832.3 Ų32.331%0.3120%0.195SC..  trans-80.5-0.3-174.367.5-9.2000115.3P104 L105 T106 V107 S144P104-D142 HydrophobicContact CB-CB 4.1Å; P104-D142 HydrophobicContact CG-CB 4.1Å; L105-D142 PolarHBondContact O-N 2.86Å; T106-D142 WeakPolarHBondContact CA-OD2 3.4Å; V107-D142 WeakPolarHBondContact CG2-OD1 3.49Å; V107-D142 PolarHBondContact N-OD1 3.18Å; D142-S144 VanDerWaalsContact CG-OG 3.3Å; D142-S144 PolarHBondContact O-N 3.18Å; D142-S144 VanDerWaalsContact OD1-CB 3.3Å; D142-S144 WeakPolarHBondContact OD1-CB 3.35Å; D142-S144 PolarHBondContact OD1-N 3.21Å; D142-S144 VanDerWaalsContact OD1-N 3.12Å; D142-S144 PolarHBondContact OD1-OG 2.83Å; D142-S144 PolarHBondContact OD2-OG 3.09Å
143R87.7Confident90.2Very high50 Ų5029.3 Ų29.319%0.18918%0.175CC..  trans59.622.3-178.2-50.9171.285.4-174.426.9114.2C141 D145 G148 T149 A150 C173 V561 F563C141-R143 VanDerWaalsContact C-N 3.3Å; C141-R143 PolarHBondContact O-N 2.83Å; R143-D145 PolarHBondContact O-N 2.99Å; R143-G148 PolarHBondContact NE-O 2.88Å; R143-T149 VanDerWaalsContact CA-O 3.31Å; R143-T149 WeakPolarHBondContact CA-O 3.43Å; R143-T149 WeakPolarHBondContact CG-O 3.34Å; R143-T149 PolarHBondContact N-O 3.06Å; R143-A150 HydrophobicContact CG-CB 4.21Å; R143-C173 PolarHBondContact NH2-O 3.49Å; R143-V561 VanDerWaalsContact CD-CG1 3.42Å; R143-V561 HydrophobicContact CG-CG2 4.36Å; R143-F563 VanDerWaalsContact CZ-CE1 3.48Å
144S85.3Confident90.6Very high81 Ų8125.6 Ų25.657%0.56616%0.156SC*.  trans-65.6-13.9177.154.90000113.6D142D142-S144 VanDerWaalsContact CG-OG 3.3Å; D142-S144 PolarHBondContact O-N 3.18Å; D142-S144 VanDerWaalsContact OD1-CB 3.3Å; D142-S144 WeakPolarHBondContact OD1-CB 3.35Å; D142-S144 PolarHBondContact OD1-N 3.21Å; D142-S144 VanDerWaalsContact OD1-N 3.12Å; D142-S144 PolarHBondContact OD1-OG 2.83Å; D142-S144 PolarHBondContact OD2-OG 3.09Å
145D88.5Confident90.8Very high28 Ų2827.3 Ų27.315%0.1516%0.164CC..SBendtrans-83.8153.1177.570.3-40000112.4V107 R143 A147 G148 T149V107-D145 HydrophobicContact CB-CB 4.47Å; V107-D145 HydrophobicContact CG1-CB 4.08Å; V107-D145 HydrophobicContact CG2-CB 4.09Å; R143-D145 PolarHBondContact O-N 2.99Å; D145-A147 PolarHBondContact O-N 3.19Å; D145-G148 PolarHBondContact O-N 3.18Å; D145-G148 PolarHBondContact OD1-N 3.29Å; D145-T149 VanDerWaalsContact OD1-CB 3.3Å; D145-T149 WeakPolarHBondContact OD1-CB 3.42Å; D145-T149 PolarHBondContact OD1-N 3.41Å; D145-T149 PolarHBondContact OD1-OG1 3.42Å; D145-T149 PolarHBondContact OD2-OG1 3.07Å
146P84.6Confident90.7Very high149 Ų14925.5 Ų25.597%0.96816%0.156SC*.THydrogen-bonded Turntrans-58.7-19.1-179.3-25.834.6000114.9
147A83Confident90.4Very high56 Ų5625.2 Ų25.246%0.46315%0.154SC..THydrogen-bonded Turntrans-85-9.9177.100000113.5D145 T172D145-A147 PolarHBondContact O-N 3.19Å; A147-T172 HydrophobicContact CB-CG2 4.17Å; A147-T172 WeakPolarHBondContact O-CB 3.18Å; A147-T172 WeakPolarHBondContact O-CG2 3.28Å
148G87.3Confident89.9Confident15 Ų1526.8 Ų26.816%0.15517%0.165CC..  trans67.442.9179.800000113.4R143 D145 A150 C173R143-G148 PolarHBondContact NE-O 2.88Å; D145-G148 PolarHBondContact O-N 3.18Å; D145-G148 PolarHBondContact OD1-N 3.29Å; G148-A150 PolarHBondContact O-N 2.78Å; G148-C173 PolarHBondContact O-N 2.79Å
149T91.4Very high89.1Confident2 Ų229 Ų291%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-68.6118.3-176.7-57.50000111.1C141 R143 D145 W151 F152C141-T149 HydrophobicContact CB-CG2 4.48Å; C141-T149 WeakPolarHBondContact CB-O 3.44Å; R143-T149 VanDerWaalsContact CA-O 3.31Å; R143-T149 WeakPolarHBondContact CA-O 3.43Å; R143-T149 WeakPolarHBondContact CG-O 3.34Å; R143-T149 PolarHBondContact N-O 3.06Å; D145-T149 VanDerWaalsContact OD1-CB 3.3Å; D145-T149 WeakPolarHBondContact OD1-CB 3.42Å; D145-T149 PolarHBondContact OD1-N 3.41Å; D145-T149 PolarHBondContact OD1-OG1 3.42Å; D145-T149 PolarHBondContact OD2-OG1 3.07Å; T149-W151 WeakPolarHBondContact CG2-O 3.37Å; T149-F152 HydrophobicContact CG2-CD1 4.2Å; T149-F152 HydrophobicContact CG2-CD2 4.31Å; T149-F152 HydrophobicContact CG2-CE1 3.78Å; T149-F152 HydrophobicContact CG2-CE2 3.92Å; T149-F152 HydrophobicContact CG2-CG 4.43Å; T149-F152 HydrophobicContact CG2-CZ 3.61Å
150A91.3Very high88Confident0 Ų035 Ų350%023%0.225CC..EExtended strand (participates in β ladder)trans-98.1-28.8178.300000112.6C141 R143 G148 I171 C173 V558 H560C141-A150 WeakPolarHBondContact CB-O 3.44Å; C141-A150 PolarHBondContact N-O 2.97Å; R143-A150 HydrophobicContact CG-CB 4.21Å; G148-A150 PolarHBondContact O-N 2.78Å; A150-I171 PolarHBondContact N-O 3.32Å; A150-C173 HydrophobicContact CB-CB 4.43Å; A150-V558 HydrophobicContact CB-CG1 4.16Å; A150-V558 HydrophobicContact CB-CG2 3.94Å; A150-H560 PolarHBondContact O-CE1 3.1Å; A150-H560 PolarHBondContact O-NE2 3.48Å; A150-H560 VanDerWaalsContact O-NE2 3.13Å
151W93.3Very high86.9Confident3 Ų342 Ų421%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-140.8146.8175.1-64.788.2000113.1L44 V47 V58 W138 V139 R140 T149 S170 I171 H560L44-W151 HydrophobicContact CD1-CH2 3.65Å; L44-W151 HydrophobicContact CD1-CZ2 4.18Å; L44-W151 HydrophobicContact CD1-CZ3 4.21Å; L44-W151 HydrophobicContact CD2-CH2 4.17Å; L44-W151 HydrophobicContact CD2-CZ2 4.23Å; V47-W151 HydrophobicContact CG2-CD2 4.47Å; V58-W151 HydrophobicContact CG1-CH2 4.05Å; V58-W151 HydrophobicContact CG1-CZ3 3.98Å; W138-W151 HydrophobicContact CB-CE3 4.18Å; W138-W151 HydrophobicContact CB-CZ3 4.12Å; W138-W151 HydrophobicContact CE3-CB 4.07Å; W138-W151 HydrophobicContact CE3-CE3 4.18Å; W138-W151 HydrophobicContact CZ3-CB 4.06Å; V139-W151 WeakPolarHBondContact O-CA 3.43Å; R140-W151 HydrophobicContact CB-CH2 4.47Å; R140-W151 HydrophobicContact CB-CZ3 4.37Å; R140-W151 HydrophobicContact CG-CD2 4.44Å; R140-W151 HydrophobicContact CG-CE3 4.05Å; R140-W151 HydrophobicContact CG-CH2 3.18Å; R140-W151 HydrophobicContact CG-CZ2 3.62Å; R140-W151 HydrophobicContact CG-CZ3 3.42Å; R140-W151 VanDerWaalsContact CG-CZ3 3.42Å; T149-W151 WeakPolarHBondContact CG2-O 3.37Å; W151-S170 WeakPolarHBondContact O-CA 3.43Å; W151-I171 HydrophobicContact CB-CB 3.92Å; W151-I171 HydrophobicContact CB-CD1 4.04Å; W151-I171 HydrophobicContact CB-CG1 4.05Å; W151-I171 HydrophobicContact CG-CD1 4.3Å; W151-I171 PolarHBondContact N-O 3.45Å; W151-I171 VanDerWaalsContact N-O 3.12Å; W151-I171 PolarHBondContact O-N 3.16Å; W151-H560 AromaticContact CE2-CE1 3.46Å; W151-H560 VanDerWaalsContact CE2-CE1 3.46Å; W151-H560 AromaticContact CE2-ND1 3.94Å; W151-H560 AromaticContact CZ2-CE1 3.73Å; W151-H560 AromaticContact CZ2-ND1 3.76Å; W151-H560 AromaticContact NE1-CE1 3.39Å; W151-H560 PolarHBondContact NE1-CE1 2.89Å
152F94.5Very high86.2Confident12 Ų1249.9 Ų49.95%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-116.6142.7158.4-74.7-56.6000110.6V107 A110 R111 L114 W138 V139 C141 T149 Y169V107-F152 HydrophobicContact CG1-CE2 3.79Å; V107-F152 HydrophobicContact CG1-CZ 4.14Å; A110-F152 HydrophobicContact CB-CD2 3.82Å; A110-F152 HydrophobicContact CB-CE2 4.46Å; R111-F152 HydrophobicContact CG-CD2 4.32Å; R111-F152 HydrophobicContact CG-CE2 3.74Å; R111-F152 HydrophobicContact CG-CZ 4.1Å; R111-F152 VanDerWaalsContact CZ-CZ 3.45Å; L114-F152 HydrophobicContact CD1-CB 3.61Å; L114-F152 HydrophobicContact CD2-CB 3.68Å; L114-F152 HydrophobicContact CD2-CG 4.38Å; L114-F152 HydrophobicContact CG-CB 4.31Å; W138-F152 CarbonylContact C-O 3.52Å; W138-F152 VanDerWaalsContact CA-O 3.32Å; W138-F152 WeakPolarHBondContact CA-O 3.04Å; V139-F152 PolarHBondContact N-O 2.9Å; V139-F152 PolarHBondContact O-N 3.42Å; V139-F152 VanDerWaalsContact O-N 3.14Å; C141-F152 VanDerWaalsContact SG-CD2 3.54Å; T149-F152 HydrophobicContact CG2-CD1 4.2Å; T149-F152 HydrophobicContact CG2-CD2 4.31Å; T149-F152 HydrophobicContact CG2-CE1 3.78Å; T149-F152 HydrophobicContact CG2-CE2 3.92Å; T149-F152 HydrophobicContact CG2-CG 4.43Å; T149-F152 HydrophobicContact CG2-CZ 3.61Å; F152-Y169 WeakPolarHBondContact CA-O 3.38Å
153G93.9Very high85.9Confident0 Ų048.5 Ų48.50%029%0.291CS..EExtended strand (participates in β ladder)trans-133.3153.2177.300000112.1L137 L168 Y169L137-G153 CarbonylContact O-C 3.57Å; L137-G153 VanDerWaalsContact O-CA 3.22Å; L137-G153 WeakPolarHBondContact O-CA 2.99Å; G153-L168 CarbonylContact O-C 3.51Å; G153-L168 WeakPolarHBondContact O-CA 3.24Å; G153-Y169 PolarHBondContact N-O 3.31Å; G153-Y169 PolarHBondContact O-N 3.08Å
154A93.7Very high85.8Confident0 Ų047 Ų470%029%0.289CS..EExtended strand (participates in β ladder)trans-142.5129.6176.600000110.8L114 Y117 P136 L137 I166 K167 L168L114-A154 HydrophobicContact CD2-CB 4.18Å; L114-A154 HydrophobicContact CG-CB 4.23Å; Y117-A154 HydrophobicContact CD1-CB 3.75Å; Y117-A154 HydrophobicContact CE1-CB 3.89Å; P136-A154 CarbonylContact C-O 3.53Å; P136-A154 VanDerWaalsContact CA-O 3.28Å; P136-A154 WeakPolarHBondContact CA-O 3.45Å; L137-A154 PolarHBondContact N-O 3.09Å; L137-A154 PolarHBondContact O-N 3.41Å; A154-I166 HydrophobicContact CB-CD1 4.02Å; A154-K167 CarbonylContact C-O 3.56Å; A154-K167 VanDerWaalsContact CA-O 3.31Å; A154-K167 WeakPolarHBondContact CA-O 3.2Å; A154-L168 HydrophobicContact CB-CD2 3.99Å
155E92.3Very high85.9Confident42 Ų4243.1 Ų43.120%0.19626%0.262CS..EExtended strand (participates in β ladder)trans-132.8131.3-179.3177.3-165.2-171.600110.6F51 P136 I166 K167 Y169F51-E155 HydrophobicContact CE1-CB 4.2Å; F51-E155 HydrophobicContact CE1-CG 4.01Å; F51-E155 HydrophobicContact CZ-CB 4.01Å; F51-E155 HydrophobicContact CZ-CG 4.21Å; F51-E155 WeakPolarHBondContact CZ-OE2 3.38Å; P136-E155 HydrophobicContact CB-CB 4.36Å; P136-E155 HydrophobicContact CG-CB 4.48Å; P136-E155 HydrophobicContact CG-CG 4.23Å; E155-I166 CarbonylContact O-C 3.59Å; E155-I166 WeakPolarHBondContact O-CA 3.45Å; E155-I166 WeakPolarHBondContact O-CG1 3.28Å; E155-K167 HydrophobicContact CB-CB 4.38Å; E155-K167 PolarHBondContact N-O 3.31Å; E155-K167 PolarHBondContact O-N 3.35Å; E155-Y169 HydrophobicContact CB-CE2 3.79Å; E155-Y169 PolarHBondContact OE2-OH 2.79Å
156I89.7Confident86Confident16 Ų1641.8 Ų41.88%0.08226%0.255CS..EExtended strand (participates in β ladder)trans-81129.7177.8-58.2-56.3000111Y117 Q121 I133 V163 I166Y117-I156 HydrophobicContact CE1-CD1 3.93Å; Y117-I156 HydrophobicContact CE1-CG1 4.05Å; Q121-I156 HydrophobicContact CB-CD1 3.38Å; Q121-I156 HydrophobicContact CB-CG1 3.98Å; Q121-I156 HydrophobicContact CG-CD1 3.67Å; Q121-I156 HydrophobicContact CG-CG1 3.83Å; I133-I156 HydrophobicContact CG2-CB 4.13Å; I133-I156 HydrophobicContact CG2-CG2 4.24Å; I156-V163 HydrophobicContact CG2-CB 4.45Å; I156-V163 HydrophobicContact CG2-CG1 3.55Å; I156-V163 HydrophobicContact CG2-CG2 4.18Å; I156-I166 HydrophobicContact CD1-CB 4.24Å; I156-I166 HydrophobicContact CD1-CD1 3.77Å; I156-I166 HydrophobicContact CD1-CG1 3.92Å
157V87.3Confident86.4Confident7 Ų735.9 Ų35.94%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-105.5123.7178.9179.40000109.4A164 G165 K167 L543 F590V157-A164 WeakPolarHBondContact O-CB 3.45Å; V157-A164 PolarHBondContact O-N 3.36Å; V157-G165 PolarHBondContact N-O 3.35Å; V157-G165 PolarHBondContact O-N 3.43Å; V157-K167 HydrophobicContact CG2-CB 4.49Å; V157-K167 HydrophobicContact CG2-CD 3.99Å; V157-K167 HydrophobicContact CG2-CG 3.73Å; V157-L543 HydrophobicContact CG1-CB 3.68Å; V157-L543 HydrophobicContact CG1-CD1 4.44Å; V157-L543 HydrophobicContact CG1-CD2 4.34Å; V157-L543 HydrophobicContact CG1-CG 4.37Å; V157-F590 HydrophobicContact CB-CE2 3.95Å; V157-F590 HydrophobicContact CG1-CE2 4.14Å; V157-F590 HydrophobicContact CG2-CD2 4.21Å; V157-F590 HydrophobicContact CG2-CE2 4.04Å
158C83.1Confident86.8Confident33 Ų3335.4 Ų35.422%0.22320%0.204CC..EExtended strand (participates in β ladder)trans-112.2133.2-178.6-64.60000112.3I133 K162 L543I133-C158 HydrophobicContact CD1-CB 4.36Å; I133-C158 WeakPolarHBondContact CD1-SG 3.3Å; C158-K162 CarbonylContact C-O 3.53Å; C158-K162 VanDerWaalsContact CA-O 3.24Å; C158-K162 WeakPolarHBondContact CA-O 3.33Å; C158-L543 WeakPolarHBondContact O-CD1 3.42Å
159A78.3Confident87.1Confident46 Ų4635.2 Ų35.238%0.3820%0.198SC..EExtended strand (participates in β ladder)trans-112.9118.6170.400000109N161 K162 A164A159-N161 PolarHBondContact O-N 3.37Å; A159-K162 PolarHBondContact N-O 3.35Å; A159-K162 PolarHBondContact O-N 3Å; A159-K162 VanDerWaalsContact O-N 3.12Å; A159-A164 HydrophobicContact CB-CB 3.82Å
160S69.9Low87.2Confident125 Ų12536 Ų3687%0.87420%0.204SC*.THydrogen-bonded Turntrans5350.2179.4-49.60000113.6K162S160-K162 PolarHBondContact O-N 3Å; S160-K162 VanDerWaalsContact O-N 3.11Å
161N69.4Low87.2Confident160 Ų16036.1 Ų36.186%0.85620%0.204SC*.THydrogen-bonded Turntrans60.89-176.4-76.28.4000116.5A159A159-N161 PolarHBondContact O-N 3.37Å
162K77.8Confident87Confident164 Ų16437.2 Ų37.271%0.71321%0.212SC*.EExtended strand (participates in β ladder)trans-107.3141.7169.3-65.7-170.9177-170.50110.3C158 A159 S160 A164C158-K162 CarbonylContact C-O 3.53Å; C158-K162 VanDerWaalsContact CA-O 3.24Å; C158-K162 WeakPolarHBondContact CA-O 3.33Å; A159-K162 PolarHBondContact N-O 3.35Å; A159-K162 PolarHBondContact O-N 3Å; A159-K162 VanDerWaalsContact O-N 3.12Å; S160-K162 PolarHBondContact O-N 3Å; S160-K162 VanDerWaalsContact O-N 3.11Å; K162-A164 PolarHBondContact O-N 3.21Å; K162-A164 VanDerWaalsContact O-N 3.16Å
163V82.8Confident86.5Confident30 Ų3036.8 Ų36.818%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-64.7116.4174.4-173.90000108.8P123 I156 F593P123-V163 HydrophobicContact CG-CB 3.95Å; I156-V163 HydrophobicContact CG2-CB 4.45Å; I156-V163 HydrophobicContact CG2-CG1 3.55Å; I156-V163 HydrophobicContact CG2-CG2 4.18Å; V163-F593 HydrophobicContact CG1-CD2 3.62Å; V163-F593 HydrophobicContact CG1-CE2 3.67Å
164A84.2Confident85.8Confident17 Ų1742 Ų4214%0.1423%0.233CC..EExtended strand (participates in β ladder)trans-96-25.9-178.100000112.4V157 A159 K162 F593V157-A164 WeakPolarHBondContact O-CB 3.45Å; V157-A164 PolarHBondContact O-N 3.36Å; A159-A164 HydrophobicContact CB-CB 3.82Å; K162-A164 PolarHBondContact O-N 3.21Å; K162-A164 VanDerWaalsContact O-N 3.16Å; A164-F593 PolarHBondContact O-N 2.94Å
165G88.4Confident84.8Confident0 Ų043.6 Ų43.60%025%0.249CC..EExtended strand (participates in β ladder)trans170-166.3-178.600000112.2V157 N591V157-G165 PolarHBondContact N-O 3.35Å; V157-G165 PolarHBondContact O-N 3.43Å; G165-N591 CarbonylContact C-O 3.57Å; G165-N591 WeakPolarHBondContact CA-O 3.47Å
166I90.7Very high84Confident0 Ų043.6 Ų43.60%025%0.253CS..EExtended strand (participates in β ladder)trans-133.8140.6179.9-168.6167.2000110.7Y117 T118 A154 E155 I156 L168 N591 F593Y117-I166 HydrophobicContact CD1-CD1 4.1Å; Y117-I166 HydrophobicContact CE1-CD1 4.18Å; T118-I166 HydrophobicContact CG2-CD1 3.92Å; T118-I166 HydrophobicContact CG2-CG2 4.03Å; T118-I166 VanDerWaalsContact OG1-CD1 3.32Å; T118-I166 WeakPolarHBondContact OG1-CD1 3.37Å; A154-I166 HydrophobicContact CB-CD1 4.02Å; E155-I166 CarbonylContact O-C 3.59Å; E155-I166 WeakPolarHBondContact O-CA 3.45Å; E155-I166 WeakPolarHBondContact O-CG1 3.28Å; I156-I166 HydrophobicContact CD1-CB 4.24Å; I156-I166 HydrophobicContact CD1-CD1 3.77Å; I156-I166 HydrophobicContact CD1-CG1 3.92Å; I166-L168 HydrophobicContact CD1-CD2 4.05Å; I166-L168 HydrophobicContact CG1-CD2 4.17Å; I166-N591 HydrophobicContact CG2-CB 3.96Å; I166-N591 PolarHBondContact N-O 3.25Å; I166-N591 PolarHBondContact O-N 3.12Å; I166-F593 HydrophobicContact CB-CE1 4.35Å; I166-F593 HydrophobicContact CB-CE2 4.24Å; I166-F593 HydrophobicContact CB-CZ 3.7Å; I166-F593 HydrophobicContact CG2-CE1 3.87Å; I166-F593 HydrophobicContact CG2-CZ 3.72Å
167K91.5Very high83.1Confident26 Ų2644.3 Ų44.311%0.11326%0.258CS..EExtended strand (participates in β ladder)trans-96.4127.2166.3-74.2-179.6-176.6-169.40109.4A154 E155 V157 Y169 L543 E545 S589 F590A154-K167 CarbonylContact C-O 3.56Å; A154-K167 VanDerWaalsContact CA-O 3.31Å; A154-K167 WeakPolarHBondContact CA-O 3.2Å; E155-K167 HydrophobicContact CB-CB 4.38Å; E155-K167 PolarHBondContact N-O 3.31Å; E155-K167 PolarHBondContact O-N 3.35Å; V157-K167 HydrophobicContact CG2-CB 4.49Å; V157-K167 HydrophobicContact CG2-CD 3.99Å; V157-K167 HydrophobicContact CG2-CG 3.73Å; K167-Y169 HydrophobicContact CB-CE2 3.78Å; K167-Y169 WeakPolarHBondContact CD-OH 3.37Å; K167-L543 WeakPolarHBondContact CE-O 3.35Å; K167-L543 PolarHBondContact NZ-O 3.24Å; K167-E545 WeakPolarHBondContact CE-O 3.4Å; K167-E545 PolarHBondContact NZ-O 3.04Å; K167-S589 CarbonylContact C-O 3.59Å; K167-S589 VanDerWaalsContact CA-O 3.31Å; K167-S589 WeakPolarHBondContact CA-O 3.48Å; K167-F590 HydrophobicContact CG-CB 4.47Å; K167-F590 HydrophobicContact CG-CD2 4.04Å
168L92.9Very high81.9Confident46 Ų4647.9 Ų47.924%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-107.6127.4175.2-60.8179.3000109.5L114 G153 A154 I166 C588 S589 N591L114-L168 HydrophobicContact CD2-CD2 4.29Å; G153-L168 CarbonylContact O-C 3.51Å; G153-L168 WeakPolarHBondContact O-CA 3.24Å; A154-L168 HydrophobicContact CB-CD2 3.99Å; I166-L168 HydrophobicContact CD1-CD2 4.05Å; I166-L168 HydrophobicContact CG1-CD2 4.17Å; L168-C588 CarbonylContact O-C 3.55Å; L168-C588 WeakPolarHBondContact O-CA 3.48Å; L168-S589 PolarHBondContact N-O 2.89Å; L168-S589 PolarHBondContact O-N 3.11Å; L168-N591 WeakPolarHBondContact CD1-ND2 3.32Å
169Y92.8Very high81Confident11 Ų1152.7 Ų52.74%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-109.6142.6-179.3-58-84000110.1F51 W138 F152 G153 E155 K167 M586 C587 C588F51-Y169 HydrophobicContact CE2-CD2 4.28Å; F51-Y169 HydrophobicContact CE2-CE1 4.28Å; F51-Y169 AromaticContact CE2-CE2 3.8Å; F51-Y169 HydrophobicContact CE2-CE2 3.8Å; F51-Y169 AromaticContact CE2-CZ 3.79Å; F51-Y169 HydrophobicContact CZ-CD2 4.33Å; F51-Y169 AromaticContact CZ-CE2 3.53Å; F51-Y169 HydrophobicContact CZ-CE2 3.53Å; F51-Y169 AromaticContact CZ-CZ 3.66Å; W138-Y169 HydrophobicContact CH2-CG 4.1Å; W138-Y169 HydrophobicContact CZ2-CD2 4.25Å; W138-Y169 HydrophobicContact CZ2-CG 4.24Å; F152-Y169 WeakPolarHBondContact CA-O 3.38Å; G153-Y169 PolarHBondContact N-O 3.31Å; G153-Y169 PolarHBondContact O-N 3.08Å; E155-Y169 HydrophobicContact CB-CE2 3.79Å; E155-Y169 PolarHBondContact OE2-OH 2.79Å; K167-Y169 HydrophobicContact CB-CE2 3.78Å; K167-Y169 WeakPolarHBondContact CD-OH 3.37Å; Y169-M586 HydrophobicContact CD1-CE 3.28Å; Y169-M586 HydrophobicContact CE1-CE 3.89Å; Y169-M586 HydrophobicContact CG-CE 3.98Å; Y169-C587 WeakPolarHBondContact CA-O 3.39Å; Y169-C588 HydrophobicContact CD1-CB 3.61Å; Y169-C588 HydrophobicContact CE1-CB 3.53Å; Y169-C588 WeakPolarHBondContact CE1-SG 3.49Å
170S92.7Very high80.3Confident19 Ų1955.5 Ų55.513%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-136.2125170.7173.60000108.1W151 M586 C587W151-S170 WeakPolarHBondContact O-CA 3.43Å; S170-M586 WeakPolarHBondContact O-CA 3.3Å; S170-C587 PolarHBondContact N-O 3.12Å; S170-C587 PolarHBondContact O-N 3.19Å
171I91.4Very high80Confident1 Ų159.2 Ų59.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-109.7116.5174.4-51.9-177.1000107.1A46 V47 W138 A150 W151 T584 M586A46-I171 HydrophobicContact CB-CD1 4.02Å; V47-I171 HydrophobicContact CG2-CD1 4.42Å; W138-I171 HydrophobicContact CH2-CD1 4Å; W138-I171 HydrophobicContact CH2-CG1 4.46Å; W138-I171 HydrophobicContact CZ3-CD1 3.62Å; W138-I171 HydrophobicContact CZ3-CG1 4.04Å; A150-I171 PolarHBondContact N-O 3.32Å; W151-I171 HydrophobicContact CB-CB 3.92Å; W151-I171 HydrophobicContact CB-CD1 4.04Å; W151-I171 HydrophobicContact CB-CG1 4.05Å; W151-I171 HydrophobicContact CG-CD1 4.3Å; W151-I171 PolarHBondContact N-O 3.45Å; W151-I171 VanDerWaalsContact N-O 3.12Å; W151-I171 PolarHBondContact O-N 3.16Å; I171-T584 HydrophobicContact CG2-CG2 3.44Å; I171-T584 VanDerWaalsContact CG2-CG2 3.44Å; I171-M586 HydrophobicContact CD1-SD 3.91Å; I171-M586 HydrophobicContact CG1-CB 4.18Å; I171-M586 HydrophobicContact CG1-CG 3.96Å; I171-M586 HydrophobicContact CG1-SD 3.91Å
172T90.1Very high79.9Confident27 Ų2754.8 Ų54.817%0.16629%0.285CS..EExtended strand (participates in β ladder)trans-103.1136.5170.355.60000107.4A147 T584 T585A147-T172 HydrophobicContact CB-CG2 4.17Å; A147-T172 WeakPolarHBondContact O-CB 3.18Å; A147-T172 WeakPolarHBondContact O-CG2 3.28Å; T172-T584 CarbonylContact O-C 3.51Å; T172-T584 WeakPolarHBondContact O-CA 3.47Å; T172-T585 PolarHBondContact N-O 3.01Å; T172-T585 PolarHBondContact O-N 3.22Å; T172-T585 VanDerWaalsContact O-O 3.12Å; T172-T585 WeakPolarHBondContact OG1-CB 3.43Å; T172-T585 PolarHBondContact OG1-O 3.41Å; T172-T585 VanDerWaalsContact OG1-O 3.08Å
173C84.4Confident79.9Confident3 Ų348 Ų482%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-117.5150.2171.1-172.50000106.5R143 G148 A150 V558 F563 S583 T584R143-C173 PolarHBondContact NH2-O 3.49Å; G148-C173 PolarHBondContact O-N 2.79Å; A150-C173 HydrophobicContact CB-CB 4.43Å; C173-V558 HydrophobicContact CB-CG2 4.31Å; C173-F563 HydrophobicContact CB-CZ 4.42Å; C173-F563 VanDerWaalsContact SG-CZ 3.55Å; C173-S583 CarbonylContact C-O 3.54Å; C173-S583 WeakPolarHBondContact CA-O 3.39Å; C173-T584 PolarHBondContact SG-OG1 2.93Å; C173-T584 VanDerWaalsContact SG-OG1 3.37Å
174K79.1Confident79.9Confident110 Ų11047.5 Ų47.548%0.47825%0.253SS..EExtended strand (participates in β ladder)trans-114.5159.1168.6-67.8-175.4175.5-179.40108.8F563 S583K174-F563 WeakPolarHBondContact O-CE1 3.47Å; K174-S583 PolarHBondContact N-O 3.35Å
175G72.7Confident80.1Confident33 Ų3349.9 Ų49.934%0.3427%0.266SS..EExtended strand (participates in β ladder)trans-60.3172.3175.100000113.1T177G175-T177 PolarHBondContact O-N 2.77Å; G175-T177 PolarHBondContact O-OG1 3.16Å; G175-T177 VanDerWaalsContact O-OG1 3.12Å
176S75.9Confident80.1Confident41 Ų4150.3 Ų50.329%0.28727%0.269SS..EExtended strand (participates in β ladder)trans-56.4129.7173.4-168.20000109.9A580S176-A580 WeakPolarHBondContact OG-CB 3.3Å
177T70.8Confident80.1Confident31 Ų3155.9 Ų55.919%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-126.5119.8-175.4-57.70000109.2G175 S182 L183 F581G175-T177 PolarHBondContact O-N 2.77Å; G175-T177 PolarHBondContact O-OG1 3.16Å; G175-T177 VanDerWaalsContact O-OG1 3.12Å; T177-S182 WeakPolarHBondContact CG2-OG 3.45Å; T177-L183 HydrophobicContact CG2-CD2 4.39Å; T177-F581 PolarHBondContact N-O 3.09Å; T177-F581 PolarHBondContact O-N 3.24Å
178V62.1Low80Confident83 Ų8359.4 Ų59.450%0.50331%0.311SS..  trans-85.3-36.8-177.1-173.50000111.5A580V178-A580 HydrophobicContact CG2-CB 3.89Å
179E63.9Low79.8Confident133 Ų13357.2 Ų57.262%0.62130%0.3SS*.  trans-88.6118.4-173.6-66.7-171.9-177.600113.3K181 S182E179-K181 PolarHBondContact O-N 3.07Å; E179-S182 PolarHBondContact O-N 2.93Å; E179-S182 PolarHBondContact O-OG 3Å
180K63.8Low79.7Confident106 Ų10658.5 Ų58.546%0.46131%0.306SS..G310 helixtrans-52-29.6173.2-70.8175.3-179148.20114.3S182 L183 E578K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 3.44Å; K180-L183 WeakPolarHBondContact O-CB 3.34Å; K180-L183 PolarHBondContact O-N 2.59Å; K180-E578 WeakPolarHBondContact CE-OE1 3.26Å; K180-E578 IonicContact NZ-OE1 3.1Å; K180-E578 PolarHBondContact NZ-OE1 3.22Å
181K62.3Low79.6Confident203 Ų20362 Ų6288%0.88332%0.32SS*.G310 helixtrans-71.8-19.2179.6-68.3179.5-177.7170.20113.9E179E179-K181 PolarHBondContact O-N 3.07Å
182S68.1Low79.4Confident66 Ų6665.9 Ų65.946%0.46234%0.339SS..G310 helixtrans-92.3-4.6178.6660000113T177 E179 K180T177-S182 WeakPolarHBondContact CG2-OG 3.45Å; E179-S182 PolarHBondContact O-N 2.93Å; E179-S182 PolarHBondContact O-OG 3Å; K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 3.44Å
183L77.9Confident79.5Confident22 Ų2264.6 Ų64.612%0.11533%0.331CS..SBendtrans-71.2145.6172-61.3176.2000110.8T177 K180 T185 L242 L552T177-L183 HydrophobicContact CG2-CD2 4.39Å; K180-L183 WeakPolarHBondContact O-CB 3.34Å; K180-L183 PolarHBondContact O-N 2.59Å; L183-T185 PolarHBondContact O-N 3.01Å; L183-L242 HydrophobicContact CD1-CD1 3.91Å; L183-L552 HydrophobicContact CD1-CD1 4.16Å; L183-L552 HydrophobicContact CD2-CD2 4.01Å
184V82.4Confident79.7Confident20 Ų2068.7 Ų68.712%0.12135%0.349CS..PPolyproline II helixtrans-60.7129.6174.9177.10000109.2E188 L189 L550V184-E188 WeakPolarHBondContact CA-OE2 3.33Å; V184-E188 HydrophobicContact CG1-CB 3.85Å; V184-L189 HydrophobicContact CG1-CB 4.45Å; V184-L550 HydrophobicContact CB-CD2 4.45Å
185T87.4Confident80.1Confident66 Ų6668.2 Ų68.241%0.40535%0.351SS..PPolyproline II helixtrans-76.5157.1178.668.10000111.4L183 E187 E188 L189L183-T185 PolarHBondContact O-N 3.01Å; T185-E187 PolarHBondContact O-N 3.32Å; T185-E188 PolarHBondContact N-OE2 2.87Å; T185-E188 WeakPolarHBondContact O-CB 3.45Å; T185-E188 PolarHBondContact O-N 3.26Å; T185-E188 WeakPolarHBondContact OG1-CB 3.41Å; T185-E188 VanDerWaalsContact OG1-CD 3.26Å; T185-E188 VanDerWaalsContact OG1-CG 3.23Å; T185-E188 WeakPolarHBondContact OG1-CG 3.5Å; T185-E188 PolarHBondContact OG1-N 3.01Å; T185-L189 PolarHBondContact O-N 2.81Å
186L89.1Confident80.7Confident10 Ų1071.6 Ų71.65%0.05235%0.354CS..Hα-helixtrans-59.9-35.8177-178.462.7000111.9L189 K190 V238 E239 I241 V535L186-L189 PolarHBondContact O-N 3.37Å; L186-K190 HydrophobicContact CG-CD 4.45Å; L186-K190 WeakPolarHBondContact O-CG 3.03Å; L186-K190 PolarHBondContact O-N 2.94Å; L186-V238 HydrophobicContact CD2-CG1 4.42Å; L186-V238 WeakPolarHBondContact CD2-O 3.49Å; L186-E239 WeakPolarHBondContact CD2-O 3.47Å; L186-I241 HydrophobicContact CB-CD1 4.16Å; L186-I241 HydrophobicContact CB-CG1 4.18Å; L186-I241 HydrophobicContact CD1-CD1 4.28Å; L186-V535 HydrophobicContact CD1-CG2 4.07Å
187E90.2Very high81.2Confident116 Ų11671.1 Ų71.154%0.54235%0.347SS..Hα-helixtrans-69.5-38.5177.4-66.4-52.3131.200112.4T185 L189 K190 Q191T185-E187 PolarHBondContact O-N 3.32Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3Å; E187-K190 PolarHBondContact O-N 3.5Å; E187-K190 IonicContact OE1-NZ 3.3Å; E187-K190 PolarHBondContact OE1-NZ 2.98Å; E187-Q191 WeakPolarHBondContact O-CB 3.26Å; E187-Q191 PolarHBondContact O-N 3.15Å
188E89.5Confident81.6Confident100 Ų10077.6 Ų77.647%0.46738%0.375SS..Hα-helixtrans-61-43.3171.1-75.5163.3-17100111.3V184 T185 Q191 M192V184-E188 WeakPolarHBondContact CA-OE2 3.33Å; V184-E188 HydrophobicContact CG1-CB 3.85Å; T185-E188 PolarHBondContact N-OE2 2.87Å; T185-E188 WeakPolarHBondContact O-CB 3.45Å; T185-E188 PolarHBondContact O-N 3.26Å; T185-E188 WeakPolarHBondContact OG1-CB 3.41Å; T185-E188 VanDerWaalsContact OG1-CD 3.26Å; T185-E188 VanDerWaalsContact OG1-CG 3.23Å; T185-E188 WeakPolarHBondContact OG1-CG 3.5Å; T185-E188 PolarHBondContact OG1-N 3.01Å; E188-Q191 PolarHBondContact O-N 2.67Å; E188-M192 VanDerWaalsContact O-CG 3.31Å; E188-M192 WeakPolarHBondContact O-CG 2.98Å; E188-M192 PolarHBondContact O-N 3.41Å
189L89.8Confident82.3Confident0 Ų075.5 Ų75.50%036%0.364CS..Hα-helixtrans-64.2-42.6178-164.369.8000111.8V184 T185 L186 E187 Q191 M192 H193 V535 I537 T548 L550 T585V184-L189 HydrophobicContact CG1-CB 4.45Å; T185-L189 PolarHBondContact O-N 2.81Å; L186-L189 PolarHBondContact O-N 3.37Å; E187-L189 VanDerWaalsContact C-N 3.33Å; E187-L189 PolarHBondContact O-N 3Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.4Å; L189-M192 PolarHBondContact O-N 3.01Å; L189-H193 PolarHBondContact O-N 3.22Å; L189-V535 HydrophobicContact CD2-CG1 3.57Å; L189-I537 HydrophobicContact CB-CD1 4.06Å; L189-I537 HydrophobicContact CD2-CD1 3.89Å; L189-I537 HydrophobicContact CD2-CG1 4.28Å; L189-I537 HydrophobicContact CG-CD1 3.8Å; L189-T548 HydrophobicContact CD1-CG2 3.74Å; L189-T548 HydrophobicContact CG-CG2 4.2Å; L189-L550 HydrophobicContact CD1-CB 4.24Å; L189-L550 HydrophobicContact CD2-CB 3.84Å; L189-T585 HydrophobicContact CD1-CG2 4.42Å
190K90.3Very high82.5Confident38 Ų3875.5 Ų75.517%0.16538%0.378CS..Hα-helixtrans-59-44.6171.8-73.9168.3-177.71680110.7L186 E187 H193 K194 I204 I537L186-K190 HydrophobicContact CG-CD 4.45Å; L186-K190 WeakPolarHBondContact O-CG 3.03Å; L186-K190 PolarHBondContact O-N 2.94Å; E187-K190 PolarHBondContact O-N 3.5Å; E187-K190 IonicContact OE1-NZ 3.3Å; E187-K190 PolarHBondContact OE1-NZ 2.98Å; K190-H193 PolarHBondContact O-N 2.67Å; K190-K194 WeakPolarHBondContact O-CG 3.17Å; K190-K194 PolarHBondContact O-N 3.1Å; K190-I204 HydrophobicContact CD-CD1 4.42Å; K190-I204 HydrophobicContact CG-CD1 4.49Å; K190-I537 HydrophobicContact CB-CD1 4.3Å; K190-I537 HydrophobicContact CG-CD1 3.71Å
191Q90.1Very high83.3Confident93 Ų9374.8 Ų74.844%0.43539%0.387SS..Hα-helixtrans-66.1-40.7179.6-169.160.937.400111.8E187 E188 L189 H193 K194 N195E187-Q191 WeakPolarHBondContact O-CB 3.26Å; E187-Q191 PolarHBondContact O-N 3.15Å; E188-Q191 PolarHBondContact O-N 2.67Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.4Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; Q191-H193 PolarHBondContact O-N 2.91Å; Q191-K194 PolarHBondContact O-N 3.42Å; Q191-N195 PolarHBondContact NE2-OD1 2.98Å; Q191-N195 VanDerWaalsContact O-CB 3.3Å; Q191-N195 WeakPolarHBondContact O-CB 3.26Å; Q191-N195 PolarHBondContact O-N 3.07Å; Q191-N195 PolarHBondContact O-ND2 3.13Å; Q191-N195 PolarHBondContact O-OD1 3.07Å
192M88.2Confident84.5Confident83 Ų8367.3 Ų67.341%0.40936%0.356SS..Hα-helixtrans-57.9-45.4173.4-74176.465.100111.4E188 L189 R196E188-M192 VanDerWaalsContact O-CG 3.31Å; E188-M192 WeakPolarHBondContact O-CG 2.98Å; E188-M192 PolarHBondContact O-N 3.41Å; L189-M192 PolarHBondContact O-N 3.01Å; M192-R196 WeakPolarHBondContact O-CB 3.48Å; M192-R196 PolarHBondContact O-N 3.11Å; M192-R196 VanDerWaalsContact O-N 3.16Å
193H90.5Very high85.5Confident0 Ų065.8 Ų65.80%035%0.35CS..Hα-helixtrans-65.5-44176.9-170.496.2000112L189 K190 Q191 R196 H197 M202 I537 S539 T548L189-H193 PolarHBondContact O-N 3.22Å; K190-H193 PolarHBondContact O-N 2.67Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; Q191-H193 PolarHBondContact O-N 2.91Å; H193-R196 PolarHBondContact O-N 3.03Å; H193-H197 AromaticContact CD2-CD2 3.8Å; H193-H197 AromaticContact CE1-CD2 3.45Å; H193-H197 PolarHBondContact CE1-CD2 3.24Å; H193-H197 VanDerWaalsContact CE1-CD2 3.45Å; H193-H197 AromaticContact CG-CD2 3.85Å; H193-H197 AromaticContact ND1-CD2 3.6Å; H193-H197 AromaticContact NE2-CD2 3.58Å; H193-H197 PolarHBondContact O-CD2 3.42Å; H193-H197 PolarHBondContact O-N 3.24Å; H193-M202 HydrophobicContact CB-CE 3.78Å; H193-M202 WeakPolarHBondContact CD2-CE 3.43Å; H193-I537 HydrophobicContact CB-CG2 4.19Å; H193-I537 PolarHBondContact CE1-O 3.08Å; H193-S539 WeakPolarHBondContact NE2-CB 3.39Å; H193-S539 PolarHBondContact NE2-OG 3.03Å; H193-T548 WeakPolarHBondContact ND1-CB 3.42Å; H193-T548 PolarHBondContact ND1-OG1 2.9Å
194K89.7Confident86.2Confident88 Ų8866.4 Ų66.438%0.38335%0.353SS..Hα-helixtrans-61.4-44.6176.6-74.7-178.9-175.1172.50112.2K190 Q191 R196 H197 H198 M202K190-K194 WeakPolarHBondContact O-CG 3.17Å; K190-K194 PolarHBondContact O-N 3.1Å; Q191-K194 PolarHBondContact O-N 3.42Å; K194-R196 PolarHBondContact O-N 3.48Å; K194-H197 PolarHBondContact O-N 2.92Å; K194-H198 WeakPolarHBondContact O-CA 3.34Å; K194-H198 PolarHBondContact O-N 3.48Å; K194-M202 HydrophobicContact CB-CE 4.35Å; K194-M202 HydrophobicContact CD-CE 4.37Å; K194-M202 HydrophobicContact CD-SD 4.25Å; K194-M202 WeakPolarHBondContact CE-SD 3.23Å; K194-M202 HydrophobicContact CG-CE 3.35Å; K194-M202 HydrophobicContact CG-SD 3.8Å
195N88.1Confident86.8Confident100 Ų10070.3 Ų70.354%0.53537%0.369SS..Hα-helixtrans-61.9-33.5179.1-73.1-12.1000111.6Q191Q191-N195 PolarHBondContact NE2-OD1 2.98Å; Q191-N195 VanDerWaalsContact O-CB 3.3Å; Q191-N195 WeakPolarHBondContact O-CB 3.26Å; Q191-N195 PolarHBondContact O-N 3.07Å; Q191-N195 PolarHBondContact O-ND2 3.13Å; Q191-N195 PolarHBondContact O-OD1 3.07Å
196R85.3Confident87.1Confident105 Ų10567.3 Ų67.340%0.39635%0.351SS..Hα-helixtrans-83.7-36.1-178.2-169.6180-84-142.75.9113.5M192 H193 K194 S589M192-R196 WeakPolarHBondContact O-CB 3.48Å; M192-R196 PolarHBondContact O-N 3.11Å; M192-R196 VanDerWaalsContact O-N 3.16Å; H193-R196 PolarHBondContact O-N 3.03Å; K194-R196 PolarHBondContact O-N 3.48Å; R196-S589 PolarHBondContact NH1-OG 3.33Å; R196-S589 VanDerWaalsContact NH1-OG 3.14Å
197H85.1Confident87.4Confident31 Ų3168.8 Ų68.814%0.14436%0.362CS..Hα-helixtrans-119.3-3-168.8-56.6-56.2000115.2H193 K194 S199 V546 C588H193-H197 AromaticContact CD2-CD2 3.8Å; H193-H197 AromaticContact CE1-CD2 3.45Å; H193-H197 PolarHBondContact CE1-CD2 3.24Å; H193-H197 VanDerWaalsContact CE1-CD2 3.45Å; H193-H197 AromaticContact CG-CD2 3.85Å; H193-H197 AromaticContact ND1-CD2 3.6Å; H193-H197 AromaticContact NE2-CD2 3.58Å; H193-H197 PolarHBondContact O-CD2 3.42Å; H193-H197 PolarHBondContact O-N 3.24Å; K194-H197 PolarHBondContact O-N 2.92Å; H197-S199 PolarHBondContact O-N 3.44Å; H197-S199 PolarHBondContact O-OG 2.96Å; H197-S199 VanDerWaalsContact O-OG 3.09Å; H197-V546 HydrophobicContact CB-CG2 3.99Å; H197-V546 VanDerWaalsContact CG-CG2 3.46Å; H197-C588 PolarHBondContact CE1-O 3.04Å; H197-C588 PolarHBondContact NE2-O 3.13Å; H197-C588 VanDerWaalsContact NE2-O 3.11Å
198H80.6Confident87.6Confident167 Ų16763.4 Ų63.477%0.77334%0.338SS*.  trans47.532.6177.3-57.3-61.3000114.8K194K194-H198 WeakPolarHBondContact O-CA 3.34Å; K194-H198 PolarHBondContact O-N 3.48Å
199S75.9Confident87.8Confident39 Ų3962.7 Ų62.727%0.27333%0.331SS..  trans-95.7141.5-172.9-70.70000112.6H197 S539H197-S199 PolarHBondContact O-N 3.44Å; H197-S199 PolarHBondContact O-OG 2.96Å; H197-S199 VanDerWaalsContact O-OG 3.09Å; S199-S539 PolarHBondContact OG-OG 3.48Å
200S67.7Low88Confident132 Ų13263 Ų6392%0.92333%0.332SS*.SBendtrans-89-26.4-179.155.20000114.1
201S80.9Confident88Confident92 Ų9263.5 Ų63.564%0.64334%0.341SS*.  trans-113131.5178.1-177.70000110.3S539S201-S539 WeakPolarHBondContact O-CB 3.14Å
202M87.5Confident87.9Confident46 Ų4660.2 Ų60.223%0.22733%0.326CS..  trans-133.9129.7-175.7-51.5176110.800109.6H193 K194 I537 S538H193-M202 HydrophobicContact CB-CE 3.78Å; H193-M202 WeakPolarHBondContact CD2-CE 3.43Å; K194-M202 HydrophobicContact CB-CE 4.35Å; K194-M202 HydrophobicContact CD-CE 4.37Å; K194-M202 HydrophobicContact CD-SD 4.25Å; K194-M202 WeakPolarHBondContact CE-SD 3.23Å; K194-M202 HydrophobicContact CG-CE 3.35Å; K194-M202 HydrophobicContact CG-SD 3.8Å; M202-I537 HydrophobicContact CB-CG2 4.26Å; M202-I537 HydrophobicContact CE-CG2 4.09Å; M202-S538 CarbonylContact C-O 3.55Å; M202-S538 WeakPolarHBondContact CA-O 3.27Å
203G89.5Confident87.5Confident34 Ų3458.1 Ų58.135%0.35131%0.314SS..EExtended strand (participates in β ladder)trans-90.4143.6166.500000110I537 S538G203-I537 CarbonylContact O-C 3.56Å; G203-I537 WeakPolarHBondContact O-CA 3.33Å; G203-S538 PolarHBondContact N-O 2.98Å; G203-S538 PolarHBondContact O-N 3Å
204I92.8Very high86.1Confident34 Ų3458.8 Ų58.817%0.17432%0.321CS..EExtended strand (participates in β ladder)trans-130125.3176.7-50.8177000108.8K190 H237 V238 V535 E536 I537K190-I204 HydrophobicContact CD-CD1 4.42Å; K190-I204 HydrophobicContact CG-CD1 4.49Å; I204-H237 PolarHBondContact O-N 2.85Å; I204-H237 VanDerWaalsContact O-N 3.12Å; I204-V238 HydrophobicContact CG2-CB 3.74Å; I204-V238 HydrophobicContact CG2-CG2 3.96Å; I204-V535 HydrophobicContact CG2-CG2 3.72Å; I204-E536 WeakPolarHBondContact CA-O 3.5Å; I204-I537 HydrophobicContact CG1-CG1 4.42Å
205K94.1Very high84.6Confident102 Ų10258 Ų5844%0.44333%0.326SS..EExtended strand (participates in β ladder)trans-124.4137.9178.7-62.7175.6-172.3161.50109.8W235 V535 E536K205-W235 CarbonylContact C-O 3.58Å; K205-W235 VanDerWaalsContact CA-O 3.31Å; K205-W235 WeakPolarHBondContact CA-O 3.4Å; K205-V535 CarbonylContact O-C 3.52Å; K205-V535 WeakPolarHBondContact O-CA 3.36Å; K205-E536 PolarHBondContact N-O 3.44Å; K205-E536 IonicContact NZ-OE1 3.03Å; K205-E536 PolarHBondContact O-N 3.48Å
206G94.6Very high82.8Confident3 Ų355.9 Ų55.93%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-105.2149.3173.200000110.7K234 W235 V238 G534G206-K234 WeakPolarHBondContact O-CA 3.28Å; G206-W235 PolarHBondContact N-O 2.72Å; G206-W235 PolarHBondContact O-N 2.98Å; G206-V238 VanDerWaalsContact N-CG2 3.26Å; G206-G534 CarbonylContact C-O 3.51Å; G206-G534 WeakPolarHBondContact CA-O 3.15Å
207S95.1Very high81Confident41 Ų4155.7 Ų55.729%0.28733%0.328SS..EExtended strand (participates in β ladder)trans-140.9142.9171.458.60000110.1F233 W533 G534S207-F233 WeakPolarHBondContact CA-O 3.36Å; S207-W533 CarbonylContact O-C 3.53Å; S207-G534 PolarHBondContact N-O 2.85Å; S207-G534 PolarHBondContact O-N 2.74Å; S207-G534 VanDerWaalsContact O-O 3.11Å; S207-G534 PolarHBondContact OG-O 3.41Å
208A94.8Very high79.1Confident4 Ų457.6 Ų57.63%0.03334%0.341CS..EExtended strand (participates in β ladder)trans-148.1144.9173.800000110.5F210 F233 W235 P245 P530 M532A208-F210 HydrophobicContact CB-CD2 4.37Å; A208-F210 HydrophobicContact CB-CE2 3.63Å; A208-F210 HydrophobicContact CB-CZ 4.35Å; A208-F233 PolarHBondContact N-O 3.34Å; A208-F233 PolarHBondContact O-N 3.06Å; A208-W235 HydrophobicContact CB-CH2 3.92Å; A208-W235 HydrophobicContact CB-CZ3 3.88Å; A208-P245 HydrophobicContact CB-CG 3.97Å; A208-P530 HydrophobicContact CB-CB 4.44Å; A208-M532 CarbonylContact C-O 3.48Å; A208-M532 VanDerWaalsContact CA-O 3.27Å; A208-M532 WeakPolarHBondContact CA-O 3.37Å
209R94.1Very high77Confident84 Ų8458.3 Ų58.332%0.31735%0.345SS..EExtended strand (participates in β ladder)trans-118.4132.7173.4-173.5176.7-73.2171.1-7.3109.4V231 D232 P530 I531 M532R209-V231 VanDerWaalsContact CA-O 3.23Å; R209-V231 WeakPolarHBondContact CA-O 3.46Å; R209-D232 WeakPolarHBondContact CB-OD1 3.31Å; R209-D232 WeakPolarHBondContact CG-OD1 3.36Å; R209-D232 IonicContact CZ-OD1 3.14Å; R209-D232 IonicContact CZ-OD2 2.81Å; R209-D232 IonicContact NE-OD1 3.89Å; R209-D232 PolarHBondContact NE-OD1 3.41Å; R209-D232 IonicContact NE-OD2 3.92Å; R209-D232 IonicContact NH2-OD1 3.86Å; R209-D232 PolarHBondContact NH2-OD1 3.4Å; R209-D232 IonicContact NH2-OD2 2.6Å; R209-D232 PolarHBondContact NH2-OD2 2.97Å; R209-P530 CarbonylContact O-C 3.6Å; R209-P530 WeakPolarHBondContact O-CA 3.44Å; R209-P530 WeakPolarHBondContact O-CB 3.31Å; R209-I531 HydrophobicContact CB-CD1 4.47Å; R209-I531 HydrophobicContact CB-CG1 3.97Å; R209-I531 HydrophobicContact CG-CD1 3.72Å; R209-I531 HydrophobicContact CG-CG1 3.75Å; R209-I531 VanDerWaalsContact O-CG1 3.32Å; R209-I531 WeakPolarHBondContact O-CG1 3.45Å; R209-I531 PolarHBondContact O-N 2.75Å; R209-M532 HydrophobicContact CB-CB 4.07Å; R209-M532 PolarHBondContact N-O 2.8Å; R209-M532 PolarHBondContact O-N 3.32Å
210F92.6Very high75.3Confident6 Ų662.9 Ų62.93%0.02637%0.367CS..EExtended strand (participates in β ladder)trans-122.6144.1174.1-62.9-100.4000109.7A208 L212 T230 V231 F233 P245 Y525 E528 P530A208-F210 HydrophobicContact CB-CD2 4.37Å; A208-F210 HydrophobicContact CB-CE2 3.63Å; A208-F210 HydrophobicContact CB-CZ 4.35Å; F210-L212 HydrophobicContact CB-CD2 4.48Å; F210-T230 CarbonylContact O-C 3.57Å; F210-T230 VanDerWaalsContact O-CA 3.23Å; F210-T230 WeakPolarHBondContact O-CA 3.46Å; F210-T230 WeakPolarHBondContact O-CB 3.23Å; F210-V231 HydrophobicContact CB-CG1 3.83Å; F210-V231 HydrophobicContact CD2-CG1 4.44Å; F210-V231 PolarHBondContact N-O 3.41Å; F210-V231 PolarHBondContact O-N 3Å; F210-F233 AromaticContact CD2-CD2 3.7Å; F210-F233 HydrophobicContact CD2-CD2 3.7Å; F210-F233 AromaticContact CD2-CE2 3.66Å; F210-F233 HydrophobicContact CD2-CE2 3.66Å; F210-F233 AromaticContact CE2-CD2 3.84Å; F210-F233 HydrophobicContact CE2-CD2 3.84Å; F210-F233 HydrophobicContact CE2-CE2 4.01Å; F210-P245 HydrophobicContact CE2-CG 3.87Å; F210-P245 HydrophobicContact CZ-CG 4.36Å; F210-Y525 HydrophobicContact CE2-CD2 4.42Å; F210-Y525 HydrophobicContact CZ-CD2 4.39Å; F210-E528 HydrophobicContact CD1-CB 4.42Å; F210-P530 HydrophobicContact CD1-CB 4.14Å; F210-P530 HydrophobicContact CD2-CB 4.46Å; F210-P530 HydrophobicContact CE1-CB 3.76Å; F210-P530 HydrophobicContact CE1-CG 4.3Å; F210-P530 HydrophobicContact CE2-CB 4.1Å; F210-P530 HydrophobicContact CG-CB 4.48Å; F210-P530 HydrophobicContact CZ-CB 3.74Å; F210-P530 HydrophobicContact CZ-CG 4.26Å
211S90.6Very high73.9Confident50 Ų5060.9 Ų60.935%0.3535%0.349SS..EExtended strand (participates in β ladder)trans-84.6121.3166.6-171.90000108.3
212L88Confident72.5Confident23 Ų2361 Ų6112%0.1235%0.346CS..EExtended strand (participates in β ladder)trans-97.4-27.7177-53.9-177.5000111.3F210 V229 V231 L253 L483 I521 F524F210-L212 HydrophobicContact CB-CD2 4.48Å; L212-V229 WeakPolarHBondContact CB-O 3.36Å; L212-V229 PolarHBondContact N-O 3.37Å; L212-V231 HydrophobicContact CD1-CB 3.96Å; L212-V231 HydrophobicContact CD1-CG1 3.94Å; L212-V231 HydrophobicContact CD2-CG1 3.72Å; L212-V231 HydrophobicContact CG-CB 4.33Å; L212-V231 HydrophobicContact CG-CG1 3.88Å; L212-L253 HydrophobicContact CD1-CD2 3.4Å; L212-L483 HydrophobicContact CB-CD2 3.79Å; L212-L483 HydrophobicContact CD1-CD1 4.46Å; L212-L483 HydrophobicContact CD1-CD2 4.02Å; L212-I521 HydrophobicContact CD1-CD1 4.46Å; L212-F524 HydrophobicContact CD2-CB 3.5Å; L212-F524 VanDerWaalsContact CD2-CB 3.5Å; L212-F524 HydrophobicContact CD2-CG 4.13Å
213F79.3Confident71.1Confident40 Ų4062.9 Ų62.918%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-158.1139.2-177.7-178.1-96.9000108.9S228 V229 T478 F482F213-S228 WeakPolarHBondContact O-CA 3.5Å; F213-V229 HydrophobicContact CB-CB 3.98Å; F213-V229 HydrophobicContact CB-CG2 4.13Å; F213-V229 HydrophobicContact CD1-CG2 4.21Å; F213-V229 PolarHBondContact N-O 2.89Å; F213-V229 VanDerWaalsContact N-O 3.16Å; F213-V229 PolarHBondContact O-N 3.2Å; F213-T478 HydrophobicContact CD1-CG2 4.41Å; F213-T478 HydrophobicContact CE1-CG2 4.12Å; F213-T478 HydrophobicContact CZ-CG2 4.35Å; F213-F482 HydrophobicContact CD2-CB 4.38Å; F213-F482 HydrophobicContact CD2-CD1 4.35Å; F213-F482 HydrophobicContact CD2-CD2 4.4Å; F213-F482 HydrophobicContact CD2-CG 4.13Å; F213-F482 HydrophobicContact CE2-CD1 4.03Å; F213-F482 AromaticContact CE2-CD2 3.92Å; F213-F482 HydrophobicContact CE2-CD2 3.92Å; F213-F482 HydrophobicContact CE2-CE1 4.09Å; F213-F482 AromaticContact CE2-CE2 3.99Å; F213-F482 HydrophobicContact CE2-CE2 3.99Å; F213-F482 AromaticContact CE2-CG 3.96Å; F213-F482 HydrophobicContact CE2-CG 3.96Å; F213-F482 HydrophobicContact CE2-CZ 4.07Å; F213-F482 HydrophobicContact CZ-CD2 4.38Å; F213-F482 HydrophobicContact CZ-CE2 4.23Å
214G61.8Low69.6Low14 Ų1468.3 Ų68.314%0.14437%0.372CS..EExtended strand (participates in β ladder)trans149.1-16.6171.800000115.9S225 S227G214-S225 WeakPolarHBondContact O-CB 3.29Å; G214-S225 PolarHBondContact O-N 3.32Å; G214-S227 VanDerWaalsContact CA-O 3.22Å; G214-S227 WeakPolarHBondContact CA-O 3.35Å
215S57.4Low68.4Low70 Ų7067.6 Ų67.649%0.4937%0.37SS..EExtended strand (participates in β ladder)trans-138.7129.6172.458.10000109.9
216T50.8Low67.6Low57 Ų5769.5 Ų69.535%0.3538%0.381SS..EExtended strand (participates in β ladder)trans-111.6123.3170.547.70000108.7V218 I223 R263T216-V218 PolarHBondContact O-N 2.84Å; T216-I223 PolarHBondContact N-O 3.2Å; T216-I223 PolarHBondContact O-N 3.13Å; T216-R263 PolarHBondContact OG1-NH1 3.46Å
217V47.7Very low67.2Low101 Ų10169.6 Ų69.661%0.61238%0.381SS*.EExtended strand (participates in β ladder)trans-80.6111.5169.3-176.40000107.2T222V217-T222 HydrophobicContact CG2-CG2 4.01Å
218V45.1Very low66.9Low70 Ų7069.7 Ų69.742%0.42438%0.382SS..EExtended strand (participates in β ladder)trans-116.9122171.3-178.80000106.6T216 N220 T221 I223T216-V218 PolarHBondContact O-N 2.84Å; V218-N220 VanDerWaalsContact C-N 3.26Å; V218-N220 PolarHBondContact O-N 2.98Å; V218-N220 VanDerWaalsContact O-N 3.13Å; V218-T221 PolarHBondContact N-O 3.4Å; V218-T221 PolarHBondContact O-N 3.38Å; V218-T221 PolarHBondContact O-OG1 3.12Å; V218-I223 HydrophobicContact CB-CD1 4.49Å; V218-I223 HydrophobicContact CG2-CD1 4.43Å
219E36.9Very low66.8Low182 Ų18269.6 Ų69.685%0.8538%0.38SS*.THydrogen-bonded Turntrans50.143.9175.2-60.4179.9171.800113.6T221E219-T221 PolarHBondContact O-N 2.97Å
220N39.8Very low66.8Low136 Ų13666.4 Ų66.473%0.72737%0.37SS*.THydrogen-bonded Turntrans63.614.3-177.8-55.1-21.3000115.7V218V218-N220 VanDerWaalsContact C-N 3.26Å; V218-N220 PolarHBondContact O-N 2.98Å; V218-N220 VanDerWaalsContact O-N 3.13Å
221T38.2Very low66.9Low90 Ų9066.1 Ų66.155%0.55237%0.369SS*.EExtended strand (participates in β ladder)trans-107.1125.116538.10000110.2V218 E219 I223V218-T221 PolarHBondContact N-O 3.4Å; V218-T221 PolarHBondContact O-N 3.38Å; V218-T221 PolarHBondContact O-OG1 3.12Å; E219-T221 PolarHBondContact O-N 2.97Å; T221-I223 PolarHBondContact O-N 3.22Å
222T52.8Low67.2Low94 Ų9465.2 Ų65.258%0.57736%0.36SS*.EExtended strand (participates in β ladder)trans-77.4105.1171.246.60000108.7V217 E224V217-T222 HydrophobicContact CG2-CG2 4.01Å; T222-E224 PolarHBondContact O-N 2.99Å
223I56.3Low67.6Low86 Ų8664.2 Ų64.244%0.44136%0.355SS..EExtended strand (participates in β ladder)trans-83.9101.2168.3-57.3173000106.6T216 V218 T221 S225T216-I223 PolarHBondContact N-O 3.2Å; T216-I223 PolarHBondContact O-N 3.13Å; V218-I223 HydrophobicContact CB-CD1 4.49Å; V218-I223 HydrophobicContact CG2-CD1 4.43Å; T221-I223 PolarHBondContact O-N 3.22Å; I223-S225 PolarHBondContact O-N 3.35Å
224E58.9Low68.4Low147 Ų14768.6 Ų68.669%0.68737%0.374SS*.EExtended strand (participates in β ladder)trans-69.6119.7171.7-67.5-170.4161.200108.9T222T222-E224 PolarHBondContact O-N 2.99Å
225S67.8Low70Confident19 Ų1968.9 Ų68.913%0.13337%0.371CS..EExtended strand (participates in β ladder)trans-77.8144.2164.9-170.30000108.3G214 I223 S227 D261 R263G214-S225 WeakPolarHBondContact O-CB 3.29Å; G214-S225 PolarHBondContact O-N 3.32Å; I223-S225 PolarHBondContact O-N 3.35Å; S225-S227 WeakPolarHBondContact CB-O 3.15Å; S225-S227 PolarHBondContact O-N 3.38Å; S225-S227 WeakPolarHBondContact OG-CB 3.39Å; S225-S227 PolarHBondContact OG-N 3.48Å; S225-D261 PolarHBondContact OG-OD2 3.29Å; S225-D261 VanDerWaalsContact OG-OD2 3.09Å; S225-R263 PolarHBondContact OG-NH2 2.98Å
226Q76.6Confident71.7Confident143 Ų14368.9 Ų68.967%0.66837%0.371SS*.EExtended strand (participates in β ladder)trans-70.2-18.7168.8-59.9-176.6-200111.7V258Q226-V258 HydrophobicContact CB-CB 4.07Å; Q226-V258 HydrophobicContact CB-CG1 4.28Å; Q226-V258 HydrophobicContact CB-CG2 3.73Å
227S85.8Confident73.5Confident4 Ų473.5 Ų73.53%0.02839%0.388CS..EExtended strand (participates in β ladder)trans-79.9135.7169.5-62.10000110.4G214 S225 K256 V257 V258G214-S227 VanDerWaalsContact CA-O 3.22Å; G214-S227 WeakPolarHBondContact CA-O 3.35Å; S225-S227 WeakPolarHBondContact CB-O 3.15Å; S225-S227 PolarHBondContact O-N 3.38Å; S225-S227 WeakPolarHBondContact OG-CB 3.39Å; S225-S227 PolarHBondContact OG-N 3.48Å; S227-K256 CarbonylContact C-O 3.57Å; S227-K256 WeakPolarHBondContact CA-O 3.26Å; S227-V257 WeakPolarHBondContact OG-CA 3.34Å; S227-V258 PolarHBondContact OG-N 3Å; S227-V258 PolarHBondContact OG-O 3.39Å
228S89.8Confident75.6Confident44 Ų4469 Ų6931%0.30836%0.361SS..EExtended strand (participates in β ladder)trans-139.5135.2174.262.10000111.2F213 K256F213-S228 WeakPolarHBondContact O-CA 3.5Å; S228-K256 CarbonylContact C-O 3.52Å; S228-K256 PolarHBondContact N-O 3.3Å; S228-K256 PolarHBondContact O-N 2.83Å
229V92Very high77.7Confident1 Ų173.8 Ų73.81%0.00638%0.379CS..EExtended strand (participates in β ladder)trans-122.1115.3169.1-169.20000108.3L212 F213 L253 N254 I255 L483L212-V229 WeakPolarHBondContact CB-O 3.36Å; L212-V229 PolarHBondContact N-O 3.37Å; F213-V229 HydrophobicContact CB-CB 3.98Å; F213-V229 HydrophobicContact CB-CG2 4.13Å; F213-V229 HydrophobicContact CD1-CG2 4.21Å; F213-V229 PolarHBondContact N-O 2.89Å; F213-V229 VanDerWaalsContact N-O 3.16Å; F213-V229 PolarHBondContact O-N 3.2Å; V229-L253 HydrophobicContact CG1-CD2 4.41Å; V229-N254 WeakPolarHBondContact CA-O 3.45Å; V229-I255 HydrophobicContact CG1-CG1 3.89Å; V229-I255 HydrophobicContact CG2-CG2 4.29Å; V229-L483 HydrophobicContact CG1-CD1 3.85Å
230T94.1Very high80.2Confident18 Ų1868 Ų6811%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-116.9160.9177.568.40000110.3F210 L253 N254 I531F210-T230 CarbonylContact O-C 3.57Å; F210-T230 VanDerWaalsContact O-CA 3.23Å; F210-T230 WeakPolarHBondContact O-CA 3.46Å; F210-T230 WeakPolarHBondContact O-CB 3.23Å; T230-L253 WeakPolarHBondContact O-CA 3.47Å; T230-N254 PolarHBondContact N-O 2.96Å; T230-N254 PolarHBondContact O-N 3.01Å; T230-N254 WeakPolarHBondContact OG1-CB 3.23Å; T230-N254 PolarHBondContact OG1-ND2 3.45Å; T230-I531 HydrophobicContact CG2-CD1 4.4Å
231V95.5Very high82.6Confident0 Ų063.1 Ų63.10%033%0.332CS..EExtended strand (participates in β ladder)trans-125.4130.7173.457.50000110.7R209 F210 L212 F233 A251 T252 L253 I521R209-V231 VanDerWaalsContact CA-O 3.23Å; R209-V231 WeakPolarHBondContact CA-O 3.46Å; F210-V231 HydrophobicContact CB-CG1 3.83Å; F210-V231 HydrophobicContact CD2-CG1 4.44Å; F210-V231 PolarHBondContact N-O 3.41Å; F210-V231 PolarHBondContact O-N 3Å; L212-V231 HydrophobicContact CD1-CB 3.96Å; L212-V231 HydrophobicContact CD1-CG1 3.94Å; L212-V231 HydrophobicContact CD2-CG1 3.72Å; L212-V231 HydrophobicContact CG-CB 4.33Å; L212-V231 HydrophobicContact CG-CG1 3.88Å; V231-F233 HydrophobicContact CB-CE2 4.17Å; V231-F233 HydrophobicContact CG1-CD2 4.18Å; V231-F233 HydrophobicContact CG1-CE2 3.42Å; V231-F233 VanDerWaalsContact CG1-CE2 3.42Å; V231-F233 HydrophobicContact CG1-CZ 4.03Å; V231-F233 HydrophobicContact CG2-CD2 4.14Å; V231-F233 HydrophobicContact CG2-CE1 4.3Å; V231-F233 HydrophobicContact CG2-CE2 3.67Å; V231-F233 HydrophobicContact CG2-CZ 3.74Å; V231-A251 HydrophobicContact CG2-CB 4.04Å; V231-T252 WeakPolarHBondContact CA-O 3.45Å; V231-L253 HydrophobicContact CB-CD2 3.97Å; V231-L253 HydrophobicContact CG2-CD2 4.3Å; V231-I521 HydrophobicContact CB-CD1 4.18Å; V231-I521 HydrophobicContact CG1-CD1 4.3Å; V231-I521 HydrophobicContact CG2-CD1 3.67Å
232D96.1Very high85Confident31 Ų3160.8 Ų60.817%0.16632%0.316CS..EExtended strand (participates in β ladder)trans-100.7117.3172-75.5-25.9000110.9R209 A251 T252 N254R209-D232 WeakPolarHBondContact CB-OD1 3.31Å; R209-D232 WeakPolarHBondContact CG-OD1 3.36Å; R209-D232 IonicContact CZ-OD1 3.14Å; R209-D232 IonicContact CZ-OD2 2.81Å; R209-D232 IonicContact NE-OD1 3.89Å; R209-D232 PolarHBondContact NE-OD1 3.41Å; R209-D232 IonicContact NE-OD2 3.92Å; R209-D232 IonicContact NH2-OD1 3.86Å; R209-D232 PolarHBondContact NH2-OD1 3.4Å; R209-D232 IonicContact NH2-OD2 2.6Å; R209-D232 PolarHBondContact NH2-OD2 2.97Å; D232-A251 CarbonylContact O-C 3.55Å; D232-A251 WeakPolarHBondContact O-CA 3.42Å; D232-T252 PolarHBondContact N-O 3.07Å; D232-T252 PolarHBondContact O-N 3.17Å; D232-N254 VanDerWaalsContact CG-ND2 3.3Å; D232-N254 PolarHBondContact OD2-ND2 3.39Å
233F96.6Very high86.9Confident1 Ų157.6 Ų57.60%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-97.1141.9171.1-66.3-82.1000111.1S207 A208 F210 V231 W235 P245 S249 T250 A251 P518 I521 Y525S207-F233 WeakPolarHBondContact CA-O 3.36Å; A208-F233 PolarHBondContact N-O 3.34Å; A208-F233 PolarHBondContact O-N 3.06Å; F210-F233 AromaticContact CD2-CD2 3.7Å; F210-F233 HydrophobicContact CD2-CD2 3.7Å; F210-F233 AromaticContact CD2-CE2 3.66Å; F210-F233 HydrophobicContact CD2-CE2 3.66Å; F210-F233 AromaticContact CE2-CD2 3.84Å; F210-F233 HydrophobicContact CE2-CD2 3.84Å; F210-F233 HydrophobicContact CE2-CE2 4.01Å; V231-F233 HydrophobicContact CB-CE2 4.17Å; V231-F233 HydrophobicContact CG1-CD2 4.18Å; V231-F233 HydrophobicContact CG1-CE2 3.42Å; V231-F233 VanDerWaalsContact CG1-CE2 3.42Å; V231-F233 HydrophobicContact CG1-CZ 4.03Å; V231-F233 HydrophobicContact CG2-CD2 4.14Å; V231-F233 HydrophobicContact CG2-CE1 4.3Å; V231-F233 HydrophobicContact CG2-CE2 3.67Å; V231-F233 HydrophobicContact CG2-CZ 3.74Å; F233-W235 HydrophobicContact CB-CE3 4.09Å; F233-W235 HydrophobicContact CB-CZ3 3.92Å; F233-P245 HydrophobicContact CB-CB 3.85Å; F233-P245 HydrophobicContact CB-CG 3.86Å; F233-P245 HydrophobicContact CD1-CB 3.85Å; F233-P245 HydrophobicContact CD1-CG 4.35Å; F233-P245 HydrophobicContact CD2-CB 4.29Å; F233-P245 HydrophobicContact CD2-CG 3.88Å; F233-P245 HydrophobicContact CE1-CB 4.49Å; F233-P245 HydrophobicContact CG-CB 3.73Å; F233-P245 HydrophobicContact CG-CG 3.77Å; F233-S249 WeakPolarHBondContact CD1-OG 3.46Å; F233-T250 CarbonylContact C-O 3.58Å; F233-T250 WeakPolarHBondContact CA-O 3.36Å; F233-A251 HydrophobicContact CD1-CB 3.65Å; F233-A251 HydrophobicContact CE1-CB 3.47Å; F233-A251 VanDerWaalsContact CE1-CB 3.47Å; F233-A251 HydrophobicContact CZ-CB 4.28Å; F233-P518 HydrophobicContact CD1-CG 4.42Å; F233-P518 HydrophobicContact CE1-CB 3.92Å; F233-P518 HydrophobicContact CE1-CG 4.07Å; F233-I521 HydrophobicContact CZ-CD1 3.9Å; F233-Y525 HydrophobicContact CE1-CD1 4.36Å; F233-Y525 AromaticContact CE1-CE1 3.86Å; F233-Y525 HydrophobicContact CE1-CE1 3.86Å; F233-Y525 AromaticContact CE2-CD1 3.92Å; F233-Y525 HydrophobicContact CE2-CD1 3.92Å; F233-Y525 HydrophobicContact CE2-CD2 4.28Å; F233-Y525 HydrophobicContact CE2-CE1 4.23Å; F233-Y525 AromaticContact CE2-CG 3.94Å; F233-Y525 HydrophobicContact CE2-CG 3.94Å; F233-Y525 AromaticContact CZ-CD1 3.41Å; F233-Y525 HydrophobicContact CZ-CD1 3.41Å; F233-Y525 VanDerWaalsContact CZ-CD1 3.41Å; F233-Y525 HydrophobicContact CZ-CD2 4.26Å; F233-Y525 AromaticContact CZ-CE1 3.35Å; F233-Y525 HydrophobicContact CZ-CE1 3.35Å; F233-Y525 HydrophobicContact CZ-CE2 4.24Å; F233-Y525 AromaticContact CZ-CG 3.88Å; F233-Y525 HydrophobicContact CZ-CG 3.88Å; F233-Y525 AromaticContact CZ-CZ 3.82Å
234K95.6Very high88.6Confident133 Ų13358.1 Ų58.158%0.57830%0.297SS*.EExtended strand (participates in β ladder)trans-137.1136.9166.9-59.5-179.7-178.1178.40109.9G206 S249 T250G206-K234 WeakPolarHBondContact O-CA 3.28Å; K234-S249 WeakPolarHBondContact O-CB 3.5Å; K234-T250 PolarHBondContact N-O 3.45Å; K234-T250 PolarHBondContact O-N 3.19Å; K234-T250 PolarHBondContact O-OG1 2.83Å; K234-T250 VanDerWaalsContact O-OG1 3.08Å
235W95.8Very high90.3Very high19 Ų1951.3 Ų51.37%0.07227%0.265CS..EExtended strand (participates in β ladder)trans-151.4169.1177.967.6102.2000111.9K205 G206 A208 F233 E243 P245 P246 W533K205-W235 CarbonylContact C-O 3.58Å; K205-W235 VanDerWaalsContact CA-O 3.31Å; K205-W235 WeakPolarHBondContact CA-O 3.4Å; G206-W235 PolarHBondContact N-O 2.72Å; G206-W235 PolarHBondContact O-N 2.98Å; A208-W235 HydrophobicContact CB-CH2 3.92Å; A208-W235 HydrophobicContact CB-CZ3 3.88Å; F233-W235 HydrophobicContact CB-CE3 4.09Å; F233-W235 HydrophobicContact CB-CZ3 3.92Å; W235-E243 HydrophobicContact CZ2-CG 3.88Å; W235-E243 PolarHBondContact NE1-OE1 3.03Å; W235-P245 HydrophobicContact CE3-CB 4.01Å; W235-P245 HydrophobicContact CE3-CG 4.35Å; W235-P245 HydrophobicContact CH2-CB 4.38Å; W235-P245 HydrophobicContact CH2-CG 3.98Å; W235-P245 HydrophobicContact CZ3-CB 3.9Å; W235-P245 HydrophobicContact CZ3-CG 3.73Å; W235-P246 HydrophobicContact CB-CG 4.05Å; W235-P246 HydrophobicContact CG-CG 3.94Å; W235-W533 AromaticContact CH2-NE1 3.79Å; W235-W533 HydrophobicContact CZ2-CZ2 4.49Å
236S93.6Very high91.5Very high71 Ų7152.5 Ų52.550%0.49727%0.273SS..EExtended strand (participates in β ladder)trans-110.8160.3176.252.50000110.5
237H87.8Confident92.3Very high154 Ų15450.5 Ų50.571%0.71327%0.266SS*.  trans66.660.3177.3-51.6-72.1000113.4I204 E239I204-H237 PolarHBondContact O-N 2.85Å; I204-H237 VanDerWaalsContact O-N 3.12Å; H237-E239 PolarHBondContact O-N 3.5Å
238V92.6Very high92.7Very high7 Ų755.5 Ų55.54%0.04230%0.301CS..  trans-68.2129.3173.6-176.80000110.3L186 I204 G206 S240 E243 W533 V535L186-V238 HydrophobicContact CD2-CG1 4.42Å; L186-V238 WeakPolarHBondContact CD2-O 3.49Å; I204-V238 HydrophobicContact CG2-CB 3.74Å; I204-V238 HydrophobicContact CG2-CG2 3.96Å; G206-V238 VanDerWaalsContact N-CG2 3.26Å; V238-S240 WeakPolarHBondContact CG1-O 3.44Å; V238-E243 VanDerWaalsContact CA-OE1 3.25Å; V238-E243 WeakPolarHBondContact CA-OE1 3.17Å; V238-E243 HydrophobicContact CG1-CG 4.26Å; V238-E243 WeakPolarHBondContact CG1-OE1 3.28Å; V238-W533 HydrophobicContact CG1-CH2 4.21Å; V238-W533 HydrophobicContact CG1-CZ2 4.13Å; V238-V535 HydrophobicContact CB-CG2 4.22Å; V238-V535 HydrophobicContact CG1-CG2 4.22Å; V238-V535 HydrophobicContact CG2-CG2 4.1Å
239E88.9Confident93Very high170 Ų17053.9 Ų53.979%0.79429%0.29SS*.  trans-98.8-36.6179.5-61.6-172.4169.200111.8L186 H237 E243L186-E239 WeakPolarHBondContact CD2-O 3.47Å; H237-E239 PolarHBondContact O-N 3.5Å; E239-E243 WeakPolarHBondContact CA-OE2 3.43Å; E239-E243 WeakPolarHBondContact CB-OE2 3.07Å; E239-E243 PolarHBondContact N-OE2 3.49Å
240S90Very high93.2Very high61 Ų6157.8 Ų57.843%0.42731%0.314SS..SBendtrans-145156.6-179.360.70000113.9V238 E243V238-S240 WeakPolarHBondContact CG1-O 3.44Å; S240-E243 PolarHBondContact N-OE2 2.71Å; S240-E243 WeakPolarHBondContact O-CB 3.27Å; S240-E243 WeakPolarHBondContact O-CG 3.29Å; S240-E243 PolarHBondContact O-N 3.44Å; S240-E243 WeakPolarHBondContact OG-CB 3.31Å
241I89.8Confident93.3Very high33 Ų3357 Ų5717%0.16931%0.309CS..THydrogen-bonded Turntrans-70.4137.3174.2-59.7-59.3000109.1L186 E243 W533 V535 L550 L552L186-I241 HydrophobicContact CB-CD1 4.16Å; L186-I241 HydrophobicContact CB-CG1 4.18Å; L186-I241 HydrophobicContact CD1-CD1 4.28Å; I241-E243 PolarHBondContact O-N 3.45Å; I241-W533 HydrophobicContact CB-CH2 4.31Å; I241-W533 HydrophobicContact CB-CZ3 4.41Å; I241-W533 HydrophobicContact CD1-CH2 3.71Å; I241-W533 HydrophobicContact CD1-CZ3 3.78Å; I241-W533 HydrophobicContact CG2-CE3 4.43Å; I241-W533 HydrophobicContact CG2-CH2 4.29Å; I241-W533 HydrophobicContact CG2-CZ3 3.92Å; I241-V535 HydrophobicContact CD1-CG1 3.77Å; I241-L550 HydrophobicContact CD1-CD2 4.08Å; I241-L552 HydrophobicContact CG2-CD1 3.76Å
242L88.9Confident93.4Very high40 Ų4058.2 Ų58.221%0.20932%0.317CS..THydrogen-bonded Turntrans60.525.2-172.8-62.3171.6000113.8L183 P530 W533 L552 F581L183-L242 HydrophobicContact CD1-CD1 3.91Å; L242-P530 HydrophobicContact CD2-CG 4.33Å; L242-W533 HydrophobicContact CD2-CB 3.79Å; L242-W533 HydrophobicContact CD2-CD2 4.17Å; L242-W533 HydrophobicContact CD2-CG 3.83Å; L242-W533 VanDerWaalsContact N-CE2 3.33Å; L242-W533 VanDerWaalsContact N-CZ2 3.26Å; L242-L552 HydrophobicContact CD1-CD1 4.09Å; L242-L552 HydrophobicContact CD2-CB 4.5Å; L242-L552 HydrophobicContact CD2-CD1 3.58Å; L242-L552 HydrophobicContact CG-CD1 3.66Å; L242-F581 HydrophobicContact CD1-CE2 4.25Å
243E91.7Very high93.4Very high27 Ų2756.8 Ų56.813%0.12631%0.309CS..PPolyproline II helixtrans-64.4145.817175.4-176.6-164.700111.4W235 V238 E239 S240 I241 W533W235-E243 HydrophobicContact CZ2-CG 3.88Å; W235-E243 PolarHBondContact NE1-OE1 3.03Å; V238-E243 VanDerWaalsContact CA-OE1 3.25Å; V238-E243 WeakPolarHBondContact CA-OE1 3.17Å; V238-E243 HydrophobicContact CG1-CG 4.26Å; V238-E243 WeakPolarHBondContact CG1-OE1 3.28Å; E239-E243 WeakPolarHBondContact CA-OE2 3.43Å; E239-E243 WeakPolarHBondContact CB-OE2 3.07Å; E239-E243 PolarHBondContact N-OE2 3.49Å; S240-E243 PolarHBondContact N-OE2 2.71Å; S240-E243 WeakPolarHBondContact O-CB 3.27Å; S240-E243 WeakPolarHBondContact O-CG 3.29Å; S240-E243 PolarHBondContact O-N 3.44Å; S240-E243 WeakPolarHBondContact OG-CB 3.31Å; I241-E243 PolarHBondContact O-N 3.45Å; E243-W533 HydrophobicContact CG-CZ2 4.37Å; E243-W533 PolarHBondContact O-NE1 3.48Å; E243-W533 VanDerWaalsContact O-NE1 3.11Å
244I92.7Very high93.4Very high97 Ų9756.8 Ų56.850%0.49731%0.309SS..PPolyproline II helixtrans-71132176.9-61.5167.3000108.2Y525 Q526I244-Y525 HydrophobicContact CG2-CD2 4.13Å; I244-Y525 HydrophobicContact CG2-CE2 3.82Å; I244-Q526 WeakPolarHBondContact CD1-O 3.44Å; I244-Q526 HydrophobicContact CG2-CG 4.25Å
245P94.3Very high93.3Very high4 Ų450.5 Ų50.53%0.02628%0.282CS..PPolyproline II helixtrans-54.9128179.2-25.432.7000111.9A208 F210 F233 W235 Y525A208-P245 HydrophobicContact CB-CG 3.97Å; F210-P245 HydrophobicContact CE2-CG 3.87Å; F210-P245 HydrophobicContact CZ-CG 4.36Å; F233-P245 HydrophobicContact CB-CB 3.85Å; F233-P245 HydrophobicContact CB-CG 3.86Å; F233-P245 HydrophobicContact CD1-CB 3.85Å; F233-P245 HydrophobicContact CD1-CG 4.35Å; F233-P245 HydrophobicContact CD2-CB 4.29Å; F233-P245 HydrophobicContact CD2-CG 3.88Å; F233-P245 HydrophobicContact CE1-CB 4.49Å; F233-P245 HydrophobicContact CG-CB 3.73Å; F233-P245 HydrophobicContact CG-CG 3.77Å; W235-P245 HydrophobicContact CE3-CB 4.01Å; W235-P245 HydrophobicContact CE3-CG 4.35Å; W235-P245 HydrophobicContact CH2-CB 4.38Å; W235-P245 HydrophobicContact CH2-CG 3.98Å; W235-P245 HydrophobicContact CZ3-CB 3.9Å; W235-P245 HydrophobicContact CZ3-CG 3.73Å; P245-Y525 HydrophobicContact CB-CE2 4.31Å; P245-Y525 HydrophobicContact CG-CE2 4.42Å; P245-Y525 PolarHBondContact O-OH 3.49Å
246P93.9Very high93.3Very high45 Ų4551.4 Ų51.429%0.29229%0.286SS..PPolyproline II helixtrans-67.1157.7-179.827.9-34.9000110.8W235 S248 S249W235-P246 HydrophobicContact CB-CG 4.05Å; W235-P246 HydrophobicContact CG-CG 3.94Å; P246-S248 PolarHBondContact O-N 3.14Å; P246-S248 VanDerWaalsContact O-N 3.12Å; P246-S249 WeakPolarHBondContact O-CB 3.45Å; P246-S249 PolarHBondContact O-N 3.21Å; P246-S249 PolarHBondContact O-OG 3.16Å
247L93.8Very high93.2Very high101 Ų10148.1 Ų48.153%0.52926%0.263SS..THydrogen-bonded Turntrans-65.3-17179.1-63.7179.2000113.7S249 P518 A519L247-S249 VanDerWaalsContact C-N 3.29Å; L247-P518 HydrophobicContact CD2-CB 4.24Å; L247-A519 HydrophobicContact CD2-CB 4.39Å
248S93.5Very high93.3Very high109 Ų10941.7 Ų41.776%0.76224%0.235SC*.THydrogen-bonded Turntrans-82.4-2173.356.90000113.8P246P246-S248 PolarHBondContact O-N 3.14Å; P246-S248 VanDerWaalsContact O-N 3.12Å
249S95.1Very high93.2Very high9 Ų942 Ų426%0.06324%0.237CC..SBendtrans-65.9158.2176.760.80000112F233 K234 P246 L247 P518F233-S249 WeakPolarHBondContact CD1-OG 3.46Å; K234-S249 WeakPolarHBondContact O-CB 3.5Å; P246-S249 WeakPolarHBondContact O-CB 3.45Å; P246-S249 PolarHBondContact O-N 3.21Å; P246-S249 PolarHBondContact O-OG 3.16Å; L247-S249 VanDerWaalsContact C-N 3.29Å; S249-P518 WeakPolarHBondContact O-CD 3.39Å; S249-P518 WeakPolarHBondContact O-CG 3.28Å; S249-P518 WeakPolarHBondContact OG-CG 3.15Å
250T96.4Very high93Very high83 Ų8334.8 Ų34.851%0.50921%0.208SC..EExtended strand (participates in β ladder)trans-86.4129.8166.659.80000108.6F233 K234F233-T250 CarbonylContact C-O 3.58Å; F233-T250 WeakPolarHBondContact CA-O 3.36Å; K234-T250 PolarHBondContact N-O 3.45Å; K234-T250 PolarHBondContact O-N 3.19Å; K234-T250 PolarHBondContact O-OG1 2.83Å; K234-T250 VanDerWaalsContact O-OG1 3.08Å
251A96.8Very high92.7Very high1 Ų133.5 Ų33.51%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-122.8130.8178.800000111.3V231 D232 F233 Q515 I516 P518V231-A251 HydrophobicContact CG2-CB 4.04Å; D232-A251 CarbonylContact O-C 3.55Å; D232-A251 WeakPolarHBondContact O-CA 3.42Å; F233-A251 HydrophobicContact CD1-CB 3.65Å; F233-A251 HydrophobicContact CE1-CB 3.47Å; F233-A251 VanDerWaalsContact CE1-CB 3.47Å; F233-A251 HydrophobicContact CZ-CB 4.28Å; A251-Q515 PolarHBondContact O-OE1 3.31Å; A251-I516 HydrophobicContact CB-CG2 3.77Å; A251-I516 WeakPolarHBondContact CB-O 3.49Å; A251-I516 PolarHBondContact O-N 3.33Å; A251-P518 HydrophobicContact CB-CG 4.1Å
252T97.4Very high92.4Very high27 Ų2739.1 Ų39.117%0.16622%0.224CC..EExtended strand (participates in β ladder)trans-120.1119.3175.7-52.20000108.9V231 D232 K513 Q515V231-T252 WeakPolarHBondContact CA-O 3.45Å; D232-T252 PolarHBondContact N-O 3.07Å; D232-T252 PolarHBondContact O-N 3.17Å; T252-K513 HydrophobicContact CG2-CB 4.09Å; T252-Q515 PolarHBondContact OG1-NE2 3.43Å; T252-Q515 PolarHBondContact OG1-OE1 3.01Å
253L96.6Very high91.9Very high0 Ų042.2 Ų42.20%023%0.233CC..EExtended strand (participates in β ladder)trans-75.4135167.8-68171.9000109.2L212 V229 T230 V231 I255 L483 L485 K513 L514 I516 I521L212-L253 HydrophobicContact CD1-CD2 3.4Å; V229-L253 HydrophobicContact CG1-CD2 4.41Å; T230-L253 WeakPolarHBondContact O-CA 3.47Å; V231-L253 HydrophobicContact CB-CD2 3.97Å; V231-L253 HydrophobicContact CG2-CD2 4.3Å; L253-I255 HydrophobicContact CB-CD1 4.19Å; L253-I255 HydrophobicContact CB-CG1 4.13Å; L253-L483 HydrophobicContact CD1-CD1 4.3Å; L253-L483 HydrophobicContact CD2-CD1 4.42Å; L253-L485 HydrophobicContact CD1-CD1 4.25Å; L253-L485 HydrophobicContact CD1-CD2 4.17Å; L253-K513 CarbonylContact O-C 3.54Å; L253-K513 VanDerWaalsContact O-CA 3.28Å; L253-K513 WeakPolarHBondContact O-CA 3.31Å; L253-L514 HydrophobicContact CB-CB 4.28Å; L253-L514 HydrophobicContact CD1-CD2 4.32Å; L253-L514 PolarHBondContact N-O 2.93Å; L253-L514 PolarHBondContact O-N 3.42Å; L253-I516 HydrophobicContact CD1-CB 4.26Å; L253-I516 HydrophobicContact CD1-CD1 3.68Å; L253-I516 HydrophobicContact CD1-CG2 4.27Å; L253-I516 HydrophobicContact CG-CB 4.35Å; L253-I516 HydrophobicContact CG-CD1 4.44Å; L253-I516 HydrophobicContact CG-CG2 3.89Å; L253-I521 HydrophobicContact CD2-CD1 4.42Å
254N95.5Very high91.5Very high2 Ų241.5 Ų41.51%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-112.8113.5171.5-60.4-47.1000106.7V229 T230 D232 E511 K513V229-N254 WeakPolarHBondContact CA-O 3.45Å; T230-N254 PolarHBondContact N-O 2.96Å; T230-N254 PolarHBondContact O-N 3.01Å; T230-N254 WeakPolarHBondContact OG1-CB 3.23Å; T230-N254 PolarHBondContact OG1-ND2 3.45Å; D232-N254 VanDerWaalsContact CG-ND2 3.3Å; D232-N254 PolarHBondContact OD2-ND2 3.39Å; N254-E511 HydrophobicContact CB-CG 3.91Å; N254-E511 WeakPolarHBondContact CB-OE1 3.3Å; N254-K513 WeakPolarHBondContact OD1-CE 3.36Å
255I95.1Very high91Very high0 Ų037.8 Ų37.80%021%0.213CC..EExtended strand (participates in β ladder)trans-118.6111.8-167.2-58158.6000108.2V229 L253 V257 I475 L493 F512 L514V229-I255 HydrophobicContact CG1-CG1 3.89Å; V229-I255 HydrophobicContact CG2-CG2 4.29Å; L253-I255 HydrophobicContact CB-CD1 4.19Å; L253-I255 HydrophobicContact CB-CG1 4.13Å; I255-V257 HydrophobicContact CG2-CG2 3.98Å; I255-I475 HydrophobicContact CG2-CG2 3.96Å; I255-L493 HydrophobicContact CD1-CD1 3.9Å; I255-L493 HydrophobicContact CD1-CD2 3.92Å; I255-F512 HydrophobicContact CB-CB 4.37Å; I255-F512 PolarHBondContact N-O 2.9Å; I255-F512 PolarHBondContact O-N 3.46Å; I255-L514 HydrophobicContact CD1-CB 4.18Å
256K94.2Very high90.7Very high39 Ų3937.6 Ų37.617%0.1721%0.212CC..EExtended strand (participates in β ladder)trans-120.2120.5169.6178-175.2166.7-179.90107.8S227 S228 E509S227-K256 CarbonylContact C-O 3.57Å; S227-K256 WeakPolarHBondContact CA-O 3.26Å; S228-K256 CarbonylContact C-O 3.52Å; S228-K256 PolarHBondContact N-O 3.3Å; S228-K256 PolarHBondContact O-N 2.83Å; K256-E509 WeakPolarHBondContact CE-OE1 3.14Å; K256-E509 WeakPolarHBondContact CE-OE2 3.27Å; K256-E509 IonicContact NZ-OE1 3.98Å; K256-E509 PolarHBondContact NZ-OE1 2.91Å; K256-E509 IonicContact NZ-OE2 3.87Å; K256-E509 PolarHBondContact NZ-OE2 3.48Å
257V91.5Very high90.4Very high2 Ų237.5 Ų37.51%0.01221%0.207CC..  trans-127.6136.2179.3178.60000108.2S227 I255 H471 E474 I475 T478S227-V257 WeakPolarHBondContact OG-CA 3.34Å; I255-V257 HydrophobicContact CG2-CG2 3.98Å; V257-H471 PolarHBondContact O-NE2 2.79Å; V257-E474 HydrophobicContact CG1-CB 4.49Å; V257-E474 HydrophobicContact CG1-CG 3.96Å; V257-I475 HydrophobicContact CB-CG1 3.78Å; V257-I475 HydrophobicContact CG2-CG1 4.03Å; V257-T478 HydrophobicContact CG2-CG2 4.3Å
258V90.3Very high90.2Very high19 Ų1936.4 Ų36.412%0.11520%0.199CC..  trans-107.6137.8175.7173.20000107.9Q226 S227 E508Q226-V258 HydrophobicContact CB-CB 4.07Å; Q226-V258 HydrophobicContact CB-CG1 4.28Å; Q226-V258 HydrophobicContact CB-CG2 3.73Å; S227-V258 PolarHBondContact OG-N 3Å; S227-V258 PolarHBondContact OG-O 3.39Å; V258-E508 WeakPolarHBondContact CA-OE2 3.15Å; V258-E508 WeakPolarHBondContact CG1-OE2 3.33Å
259C90.6Very high90.1Very high12 Ų1232.2 Ų32.28%0.08117%0.168CC..THydrogen-bonded Turntrans-77.3151-176.6-56.70000111.8Y270 H471 E474 E508C259-Y270 HydrophobicContact CB-CD2 3.68Å; C259-Y270 HydrophobicContact CB-CE2 3.7Å; C259-H471 VanDerWaalsContact SG-CB 3.57Å; C259-H471 PolarHBondContact SG-CD2 2.89Å; C259-E474 WeakPolarHBondContact CA-OE2 3.29Å; C259-E474 VanDerWaalsContact CB-OE2 3.27Å; C259-E474 WeakPolarHBondContact CB-OE2 3.31Å; C259-E474 PolarHBondContact SG-OE2 2.87Å; C259-E508 PolarHBondContact N-OE2 2.9Å
260G85.8Confident90Very high19 Ų1933.7 Ų33.720%0.19617%0.172CC..THydrogen-bonded Turntrans86.414.2171.100000115.8M262G260-M262 PolarHBondContact O-N 3.44Å
261D83.1Confident89.8Confident34 Ų3432 Ų3218%0.18216%0.156CC..  trans-61.9123.7167-170.3-40000108.9S225 R263 S264S225-D261 PolarHBondContact OG-OD2 3.29Å; S225-D261 VanDerWaalsContact OG-OD2 3.09Å; D261-R263 PolarHBondContact O-N 3.42Å; D261-R263 WeakPolarHBondContact OD1-CB 3.35Å; D261-R263 IonicContact OD1-CZ 3.76Å; D261-R263 PolarHBondContact OD1-N 3.4Å; D261-R263 IonicContact OD1-NE 2.67Å; D261-R263 PolarHBondContact OD1-NE 2.87Å; D261-R263 IonicContact OD1-NH2 3.75Å; D261-R263 IonicContact OD2-CZ 2.94Å; D261-R263 IonicContact OD2-NE 2.87Å; D261-R263 IonicContact OD2-NH2 2.59Å; D261-R263 PolarHBondContact OD2-NH2 2.91Å; D261-S264 WeakPolarHBondContact O-CA 3.42Å; D261-S264 WeakPolarHBondContact O-CB 3.34Å; D261-S264 PolarHBondContact O-N 3.45Å
262M82.6Confident89.7Confident151 Ų15132.2 Ų32.274%0.74416%0.157SC*.THydrogen-bonded Turntrans-60.8-19.1-178.2-64.1-179.27700113.7G260 F267G260-M262 PolarHBondContact O-N 3.44Å; M262-F267 HydrophobicContact CB-CD2 4.47Å; M262-F267 HydrophobicContact CB-CE2 4.36Å; M262-F267 HydrophobicContact CB-CZ 4.49Å; M262-F267 HydrophobicContact CE-CZ 4.41Å; M262-F267 HydrophobicContact CG-CD2 4.28Å; M262-F267 HydrophobicContact CG-CE1 4.38Å; M262-F267 HydrophobicContact CG-CE2 3.71Å; M262-F267 HydrophobicContact CG-CZ 3.76Å
263R78.5Confident89.6Confident105 Ų10531 Ų3140%0.39615%0.15SC..THydrogen-bonded Turntrans-87.3-11.5176.3-56.4169.3-63.9175.11112.2T216 S225 D261T216-R263 PolarHBondContact OG1-NH1 3.46Å; S225-R263 PolarHBondContact OG-NH2 2.98Å; D261-R263 PolarHBondContact O-N 3.42Å; D261-R263 WeakPolarHBondContact OD1-CB 3.35Å; D261-R263 IonicContact OD1-CZ 3.76Å; D261-R263 PolarHBondContact OD1-N 3.4Å; D261-R263 IonicContact OD1-NE 2.67Å; D261-R263 PolarHBondContact OD1-NE 2.87Å; D261-R263 IonicContact OD1-NH2 3.75Å; D261-R263 IonicContact OD2-CZ 2.94Å; D261-R263 IonicContact OD2-NE 2.87Å; D261-R263 IonicContact OD2-NH2 2.59Å; D261-R263 PolarHBondContact OD2-NH2 2.91Å
264S82.9Confident89.5Confident13 Ų1334.2 Ų34.29%0.09117%0.165CC..SBendtrans-66.2133.6176.9-179.10000109.9D261 M266 F267 E474D261-S264 WeakPolarHBondContact O-CA 3.42Å; D261-S264 WeakPolarHBondContact O-CB 3.34Å; D261-S264 PolarHBondContact O-N 3.45Å; S264-M266 PolarHBondContact O-N 3.24Å; S264-M266 VanDerWaalsContact O-N 3.07Å; S264-M266 PolarHBondContact OG-N 2.97Å; S264-M266 VanDerWaalsContact OG-N 3.13Å; S264-F267 VanDerWaalsContact O-CB 3.31Å; S264-F267 WeakPolarHBondContact O-CB 3.16Å; S264-F267 PolarHBondContact O-N 3.26Å; S264-F267 VanDerWaalsContact O-N 3.07Å; S264-E474 WeakPolarHBondContact CB-OE1 3.3Å; S264-E474 PolarHBondContact OG-OE1 2.77Å
265P82.9Confident89.5Confident19 Ų1934.2 Ų34.212%0.12317%0.165CC..THydrogen-bonded Turntrans-58.6-18168.5-22.733.8000113.2F339 V477P265-F339 HydrophobicContact CB-CB 4.11Å; P265-F339 HydrophobicContact CB-CD1 4.42Å; P265-F339 HydrophobicContact CB-CG 4.37Å; P265-F339 HydrophobicContact CG-CD1 4.36Å; P265-F339 HydrophobicContact CG-CG 4.44Å; P265-V477 HydrophobicContact CB-CG1 4.02Å; P265-V477 HydrophobicContact CG-CG1 4.07Å
266M88.1Confident89.5Confident0 Ų034.2 Ų34.20%017%0.165CC..THydrogen-bonded Turntrans-85.5-3.7178.4-64.7-55.68800114S264 E268 M269 Y270 L343 L473 E474 V477S264-M266 PolarHBondContact O-N 3.24Å; S264-M266 VanDerWaalsContact O-N 3.07Å; S264-M266 PolarHBondContact OG-N 2.97Å; S264-M266 VanDerWaalsContact OG-N 3.13Å; M266-E268 VanDerWaalsContact C-N 3.35Å; M266-E268 PolarHBondContact O-N 3.42Å; M266-M269 CarbonylContact O-C 3.53Å; M266-M269 WeakPolarHBondContact O-CB 3.26Å; M266-M269 PolarHBondContact O-N 2.98Å; M266-Y270 PolarHBondContact O-N 3.33Å; M266-L343 HydrophobicContact CE-CD1 3.15Å; M266-L343 HydrophobicContact CE-CD2 3.6Å; M266-L343 HydrophobicContact CE-CG 3.99Å; M266-L343 HydrophobicContact SD-CD2 4.16Å; M266-L473 HydrophobicContact SD-CD2 3.64Å; M266-L473 HydrophobicContact SD-CG 3.67Å; M266-E474 HydrophobicContact CB-CB 4.43Å; M266-E474 HydrophobicContact CB-CG 4.15Å; M266-E474 HydrophobicContact CG-CB 4.12Å; M266-E474 HydrophobicContact CG-CG 4.16Å; M266-V477 HydrophobicContact CE-CB 4.22Å; M266-V477 HydrophobicContact CE-CG1 3.85Å; M266-V477 HydrophobicContact CE-CG2 3.87Å; M266-V477 HydrophobicContact CG-CB 4.3Å; M266-V477 HydrophobicContact CG-CG2 4.39Å; M266-V477 HydrophobicContact SD-CB 4.42Å; M266-V477 HydrophobicContact SD-CG2 3.91Å
267F88.5Confident89.6Confident42 Ų4233.8 Ų33.818%0.18416%0.163CC..Hα-helixtrans-55.2-43.8-170-178.6-110.4000114M262 S264 M269 Y270 R271M262-F267 HydrophobicContact CB-CD2 4.47Å; M262-F267 HydrophobicContact CB-CE2 4.36Å; M262-F267 HydrophobicContact CB-CZ 4.49Å; M262-F267 HydrophobicContact CE-CZ 4.41Å; M262-F267 HydrophobicContact CG-CD2 4.28Å; M262-F267 HydrophobicContact CG-CE1 4.38Å; M262-F267 HydrophobicContact CG-CE2 3.71Å; M262-F267 HydrophobicContact CG-CZ 3.76Å; S264-F267 VanDerWaalsContact O-CB 3.31Å; S264-F267 WeakPolarHBondContact O-CB 3.16Å; S264-F267 PolarHBondContact O-N 3.26Å; S264-F267 VanDerWaalsContact O-N 3.07Å; F267-M269 VanDerWaalsContact C-N 3.33Å; F267-M269 PolarHBondContact O-N 3.47Å; F267-Y270 WeakPolarHBondContact O-CB 3.5Å; F267-Y270 PolarHBondContact O-N 3.35Å; F267-R271 HydrophobicContact CD1-CG 4.46Å; F267-R271 HydrophobicContact CE1-CG 4.05Å; F267-R271 HydrophobicContact CE2-CG 4.18Å; F267-R271 HydrophobicContact CZ-CG 3.9Å; F267-R271 WeakPolarHBondContact O-CG 3.25Å; F267-R271 PolarHBondContact O-N 3.44Å
268E88.6Confident89.7Confident79 Ų7934.7 Ų34.737%0.36917%0.169SC..Hα-helixtrans-66.4-34.7179-72.3-57.9140.600113M266 E272M266-E268 VanDerWaalsContact C-N 3.35Å; M266-E268 PolarHBondContact O-N 3.42Å; E268-E272 PolarHBondContact O-N 3.44Å
269M91.1Very high90Very high21 Ų2133.9 Ų33.910%0.10316%0.164CC..Hα-helixtrans-73.2-34.3174.6-169.4-178.1-55.900111.2M266 F267 E272 L273 L343 M430 Y434 L473M266-M269 CarbonylContact O-C 3.53Å; M266-M269 WeakPolarHBondContact O-CB 3.26Å; M266-M269 PolarHBondContact O-N 2.98Å; F267-M269 VanDerWaalsContact C-N 3.33Å; F267-M269 PolarHBondContact O-N 3.47Å; M269-E272 PolarHBondContact O-N 3.36Å; M269-L273 PolarHBondContact O-N 3.28Å; M269-L343 HydrophobicContact CE-CB 4.47Å; M269-L343 HydrophobicContact CE-CD2 4.21Å; M269-M430 HydrophobicContact CG-CE 4.05Å; M269-M430 HydrophobicContact CG-SD 4.46Å; M269-Y434 HydrophobicContact SD-CD1 4.26Å; M269-Y434 HydrophobicContact SD-CE1 3.61Å; M269-L473 HydrophobicContact CE-CD2 4.25Å; M269-L473 HydrophobicContact SD-CD2 3.73Å
270Y93.6Very high90.2Very high40 Ų4033.3 Ų33.316%0.15716%0.16CC..Hα-helixtrans-61.3-48.8172.2172.9-97.5000110.8C259 M266 F267 E272 L273 E274 H470C259-Y270 HydrophobicContact CB-CD2 3.68Å; C259-Y270 HydrophobicContact CB-CE2 3.7Å; M266-Y270 PolarHBondContact O-N 3.33Å; F267-Y270 WeakPolarHBondContact O-CB 3.5Å; F267-Y270 PolarHBondContact O-N 3.35Å; Y270-E272 PolarHBondContact O-N 3.36Å; Y270-L273 CarbonylContact O-C 3.56Å; Y270-L273 WeakPolarHBondContact O-CA 3.29Å; Y270-L273 WeakPolarHBondContact O-CB 3.14Å; Y270-L273 PolarHBondContact O-N 3.2Å; Y270-E274 HydrophobicContact CE1-CB 4.37Å; Y270-E274 WeakPolarHBondContact O-CB 3.34Å; Y270-E274 PolarHBondContact O-N 3.02Å; Y270-E274 PolarHBondContact OH-OE1 2.95Å; Y270-H470 VanDerWaalsContact CA-CE1 3.49Å; Y270-H470 WeakPolarHBondContact CA-CE1 3.3Å; Y270-H470 WeakPolarHBondContact CA-NE2 3.32Å; Y270-H470 VanDerWaalsContact CB-NE2 3.33Å; Y270-H470 WeakPolarHBondContact CB-NE2 3.39Å; Y270-H470 AromaticContact CD2-NE2 3.79Å; Y270-H470 PolarHBondContact N-CE1 2.84Å; Y270-H470 VanDerWaalsContact N-CE1 3.28Å
271R92.4Very high90.5Very high46 Ų4636.6 Ų36.617%0.17417%0.173CC..Hα-helixtrans-58.4-35.6177.4-72.5-16768.2-143.3-0.9112.9F267 E274 F275 V294F267-R271 HydrophobicContact CD1-CG 4.46Å; F267-R271 HydrophobicContact CE1-CG 4.05Å; F267-R271 HydrophobicContact CE2-CG 4.18Å; F267-R271 HydrophobicContact CZ-CG 3.9Å; F267-R271 WeakPolarHBondContact O-CG 3.25Å; F267-R271 PolarHBondContact O-N 3.44Å; R271-E274 PolarHBondContact O-N 3.16Å; R271-F275 PolarHBondContact O-N 3.04Å; R271-F275 VanDerWaalsContact O-N 3.08Å; R271-V294 VanDerWaalsContact NH1-CG2 3.26Å
272E94.1Very high90.9Very high6 Ų635.1 Ų35.13%0.02817%0.166CC..Hα-helixtrans-68.9-40.7174.9-174.6168.4153.600112.5E268 M269 Y270 E274 F275 L276 W355 R359 K429 M430E268-E272 PolarHBondContact O-N 3.44Å; M269-E272 PolarHBondContact O-N 3.36Å; Y270-E272 PolarHBondContact O-N 3.36Å; E272-E274 VanDerWaalsContact C-N 3.34Å; E272-F275 PolarHBondContact O-N 3.3Å; E272-L276 PolarHBondContact O-N 2.99Å; E272-L276 VanDerWaalsContact O-N 3.16Å; E272-W355 VanDerWaalsContact CD-NE1 3.32Å; E272-W355 HydrophobicContact CG-CZ2 3.86Å; E272-W355 PolarHBondContact OE1-NE1 2.68Å; E272-R359 IonicContact OE2-CZ 3.39Å; E272-R359 IonicContact OE2-NE 2.9Å; E272-R359 PolarHBondContact OE2-NE 2.92Å; E272-R359 IonicContact OE2-NH2 2.69Å; E272-R359 PolarHBondContact OE2-NH2 3.3Å; E272-R359 VanDerWaalsContact OE2-NH2 3.1Å; E272-K429 WeakPolarHBondContact OE1-CD 3.47Å; E272-K429 WeakPolarHBondContact OE1-CE 3.49Å; E272-K429 IonicContact OE1-NZ 3.2Å; E272-K429 PolarHBondContact OE1-NZ 2.99Å; E272-K429 IonicContact OE2-NZ 3.88Å; E272-K429 PolarHBondContact OE2-NZ 3.42Å; E272-M430 HydrophobicContact CB-CE 4.43Å; E272-M430 HydrophobicContact CB-SD 4.22Å; E272-M430 VanDerWaalsContact CD-SD 3.58Å; E272-M430 HydrophobicContact CG-CE 4.39Å; E272-M430 HydrophobicContact CG-CG 4.44Å; E272-M430 HydrophobicContact CG-SD 3.7Å
273L95.7Very high91.2Very high1 Ų129.7 Ų29.71%0.00514%0.14CC..Hα-helixtrans-65.1-37.9172.317768.3000112M269 Y270 L276 Q277 M430 L466 R467 H470M269-L273 PolarHBondContact O-N 3.28Å; Y270-L273 CarbonylContact O-C 3.56Å; Y270-L273 WeakPolarHBondContact O-CA 3.29Å; Y270-L273 WeakPolarHBondContact O-CB 3.14Å; Y270-L273 PolarHBondContact O-N 3.2Å; L273-L276 HydrophobicContact CD1-CD2 4.36Å; L273-L276 VanDerWaalsContact O-CB 3.28Å; L273-L276 WeakPolarHBondContact O-CB 3.33Å; L273-L276 PolarHBondContact O-N 2.84Å; L273-L276 VanDerWaalsContact O-N 3.16Å; L273-Q277 WeakPolarHBondContact O-CG 3.37Å; L273-Q277 PolarHBondContact O-N 3.02Å; L273-M430 HydrophobicContact CB-CE 3.74Å; L273-M430 HydrophobicContact CD1-CE 4.46Å; L273-L466 HydrophobicContact CD1-CB 4.19Å; L273-R467 HydrophobicContact CD2-CB 4.13Å; L273-R467 HydrophobicContact CD2-CG 4.11Å; L273-H470 HydrophobicContact CD2-CB 3.52Å
274E94.8Very high91.7Very high68 Ų6832.7 Ų32.732%0.31816%0.156SC..Hα-helixtrans-60.9-45.5176.3-172.7174.3-113.300110.5Y270 R271 E272 L276 Q277 T278 M291Y270-E274 HydrophobicContact CE1-CB 4.37Å; Y270-E274 WeakPolarHBondContact O-CB 3.34Å; Y270-E274 PolarHBondContact O-N 3.02Å; Y270-E274 PolarHBondContact OH-OE1 2.95Å; R271-E274 PolarHBondContact O-N 3.16Å; E272-E274 VanDerWaalsContact C-N 3.34Å; E274-L276 VanDerWaalsContact C-N 3.28Å; E274-L276 PolarHBondContact O-N 3.46Å; E274-Q277 WeakPolarHBondContact O-CB 3.49Å; E274-Q277 PolarHBondContact O-N 3.07Å; E274-Q277 VanDerWaalsContact O-N 3.1Å; E274-T278 PolarHBondContact O-N 2.86Å; E274-T278 PolarHBondContact O-OG1 3.04Å; E274-M291 HydrophobicContact CB-SD 4.13Å; E274-M291 HydrophobicContact CG-SD 3.88Å
275F95.5Very high92Very high2 Ų236.5 Ų36.51%0.00918%0.179CC..Hα-helixtrans-57.7-42.2172.4-171.6-119.6000112.3R271 E272 Q277 T278 L279 W290 M291 W355 R359 V362 L422R271-F275 PolarHBondContact O-N 3.04Å; R271-F275 VanDerWaalsContact O-N 3.08Å; E272-F275 PolarHBondContact O-N 3.3Å; F275-Q277 VanDerWaalsContact C-N 3.33Å; F275-Q277 PolarHBondContact O-N 3.26Å; F275-T278 WeakPolarHBondContact O-CB 3.45Å; F275-T278 PolarHBondContact O-N 2.66Å; F275-L279 HydrophobicContact CD1-CD1 4.27Å; F275-L279 HydrophobicContact CE1-CD1 3.85Å; F275-L279 HydrophobicContact CE1-CG 4.32Å; F275-L279 HydrophobicContact CZ-CD1 4.26Å; F275-L279 HydrophobicContact CZ-CD2 4.2Å; F275-L279 HydrophobicContact CZ-CG 4.34Å; F275-L279 WeakPolarHBondContact O-CG 3.38Å; F275-L279 PolarHBondContact O-N 2.91Å; F275-W290 HydrophobicContact CE2-CZ3 4.48Å; F275-M291 HydrophobicContact CB-CE 3.47Å; F275-M291 VanDerWaalsContact CB-CE 3.47Å; F275-M291 HydrophobicContact CB-SD 3.97Å; F275-M291 HydrophobicContact CD2-CE 3.74Å; F275-M291 HydrophobicContact CD2-CG 4.5Å; F275-M291 HydrophobicContact CD2-SD 4.35Å; F275-M291 HydrophobicContact CG-CE 3.96Å; F275-M291 PolarHBondContact N-SD 3.1Å; F275-W355 AromaticContact CD1-CH2 3.4Å; F275-W355 HydrophobicContact CD1-CH2 3.4Å; F275-W355 AromaticContact CD1-CZ2 3.98Å; F275-W355 HydrophobicContact CD1-CZ2 3.98Å; F275-W355 AromaticContact CD1-CZ3 3.84Å; F275-W355 HydrophobicContact CD1-CZ3 3.84Å; F275-W355 AromaticContact CE1-CH2 3.89Å; F275-W355 HydrophobicContact CE1-CH2 3.89Å; F275-W355 AromaticContact CE1-CZ3 3.83Å; F275-W355 HydrophobicContact CE1-CZ3 3.83Å; F275-W355 HydrophobicContact CG-CH2 4.49Å; F275-R359 HydrophobicContact CD1-CB 3.5Å; F275-R359 HydrophobicContact CE1-CB 3.67Å; F275-R359 HydrophobicContact CG-CB 4.22Å; F275-R359 HydrophobicContact CZ-CB 4.48Å; F275-V362 HydrophobicContact CE2-CB 4.45Å; F275-V362 HydrophobicContact CE2-CG1 4.4Å; F275-V362 HydrophobicContact CZ-CB 3.99Å; F275-V362 HydrophobicContact CZ-CG1 4.03Å; F275-L422 HydrophobicContact CE1-CD2 4.28Å; F275-L422 HydrophobicContact CZ-CD2 4.41Å
276L95.8Very high92Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-61.8-41.5177-15975.8000111.5E272 L273 E274 L279 A280 W355 L423 L427 V463 L466E272-L276 PolarHBondContact O-N 2.99Å; E272-L276 VanDerWaalsContact O-N 3.16Å; L273-L276 HydrophobicContact CD1-CD2 4.36Å; L273-L276 VanDerWaalsContact O-CB 3.28Å; L273-L276 WeakPolarHBondContact O-CB 3.33Å; L273-L276 PolarHBondContact O-N 2.84Å; L273-L276 VanDerWaalsContact O-N 3.16Å; E274-L276 VanDerWaalsContact C-N 3.28Å; E274-L276 PolarHBondContact O-N 3.46Å; L276-L279 PolarHBondContact O-N 3.36Å; L276-A280 WeakPolarHBondContact O-CB 3.42Å; L276-A280 PolarHBondContact O-N 2.86Å; L276-W355 HydrophobicContact CB-CH2 4.31Å; L276-W355 HydrophobicContact CD1-CH2 3.42Å; L276-W355 VanDerWaalsContact CD1-CH2 3.42Å; L276-W355 HydrophobicContact CD1-CZ2 3.98Å; L276-W355 HydrophobicContact CD1-CZ3 4.05Å; L276-W355 HydrophobicContact CG-CH2 4.5Å; L276-L423 HydrophobicContact CD1-CD1 3.53Å; L276-L423 HydrophobicContact CG-CD1 3.67Å; L276-L427 HydrophobicContact CD1-CG 4.45Å; L276-L427 HydrophobicContact CD2-CD2 3.87Å; L276-L427 HydrophobicContact CD2-CG 4.11Å; L276-V463 HydrophobicContact CD2-CG2 3.97Å; L276-V463 HydrophobicContact CG-CG2 4.02Å; L276-L466 HydrophobicContact CD2-CD1 4.1Å
277Q95.3Very high91.8Very high30 Ų3045.9 Ų45.914%0.1424%0.236CC..Hα-helixtrans-64.2-40.7174.5-72.4178.856.600111.8L273 E274 F275 L279 A280 N281 V463L273-Q277 WeakPolarHBondContact O-CG 3.37Å; L273-Q277 PolarHBondContact O-N 3.02Å; E274-Q277 WeakPolarHBondContact O-CB 3.49Å; E274-Q277 PolarHBondContact O-N 3.07Å; E274-Q277 VanDerWaalsContact O-N 3.1Å; F275-Q277 VanDerWaalsContact C-N 3.33Å; F275-Q277 PolarHBondContact O-N 3.26Å; Q277-L279 PolarHBondContact O-N 3.24Å; Q277-A280 PolarHBondContact O-N 3.38Å; Q277-N281 WeakPolarHBondContact O-CB 3.07Å; Q277-N281 VanDerWaalsContact O-CG 3.25Å; Q277-N281 PolarHBondContact O-N 3.23Å; Q277-N281 PolarHBondContact O-ND2 2.94Å; Q277-V463 HydrophobicContact CB-CG1 4.44Å; Q277-V463 HydrophobicContact CG-CG1 3.62Å
278T94.6Very high91.8Very high22 Ų2245.1 Ų45.114%0.13523%0.234CC..Hα-helixtrans-58.4-46.5175.1-65.50000111.7E274 F275 A280 G282 T288 E289E274-T278 PolarHBondContact O-N 2.86Å; E274-T278 PolarHBondContact O-OG1 3.04Å; F275-T278 WeakPolarHBondContact O-CB 3.45Å; F275-T278 PolarHBondContact O-N 2.66Å; T278-A280 PolarHBondContact O-N 3.15Å; T278-G282 PolarHBondContact O-N 3.28Å; T278-T288 HydrophobicContact CG2-CG2 3.36Å; T278-E289 WeakPolarHBondContact CG2-O 3.28Å
279L94.9Very high91.8Very high1 Ų150 Ų501%0.00526%0.257CS..Hα-helixtrans-62.8-42.7175.5-64.1177.7000111.9F275 L276 Q277 G282 L283 W290 W355 I368 V419 L422 L423F275-L279 HydrophobicContact CD1-CD1 4.27Å; F275-L279 HydrophobicContact CE1-CD1 3.85Å; F275-L279 HydrophobicContact CE1-CG 4.32Å; F275-L279 HydrophobicContact CZ-CD1 4.26Å; F275-L279 HydrophobicContact CZ-CD2 4.2Å; F275-L279 HydrophobicContact CZ-CG 4.34Å; F275-L279 WeakPolarHBondContact O-CG 3.38Å; F275-L279 PolarHBondContact O-N 2.91Å; L276-L279 PolarHBondContact O-N 3.36Å; Q277-L279 PolarHBondContact O-N 3.24Å; L279-G282 PolarHBondContact O-N 3.08Å; L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 3.33Å; L279-L283 VanDerWaalsContact O-N 3.09Å; L279-W290 HydrophobicContact CD2-CH2 4.22Å; L279-W290 HydrophobicContact CD2-CZ3 3.93Å; L279-W355 HydrophobicContact CD1-CH2 4.24Å; L279-W355 HydrophobicContact CD1-CZ3 3.85Å; L279-I368 HydrophobicContact CD2-CD1 3.92Å; L279-V419 HydrophobicContact CB-CG1 4.28Å; L279-V419 HydrophobicContact CD2-CG1 4.22Å; L279-L422 HydrophobicContact CD1-CB 4.49Å; L279-L422 HydrophobicContact CD1-CD2 3.91Å; L279-L422 HydrophobicContact CD1-CG 3.99Å; L279-L422 HydrophobicContact CD2-CD2 4.43Å; L279-L423 HydrophobicContact CB-CD1 4.26Å
280A95Very high91.7Very high1 Ų152 Ų521%0.00826%0.263CS..Hα-helixtrans-64.8-48.9-179.600000111L276 Q277 T278 G282 L283 K284 L423 Q460 V463L276-A280 WeakPolarHBondContact O-CB 3.42Å; L276-A280 PolarHBondContact O-N 2.86Å; Q277-A280 PolarHBondContact O-N 3.38Å; T278-A280 PolarHBondContact O-N 3.15Å; A280-G282 VanDerWaalsContact C-N 3.31Å; A280-G282 PolarHBondContact O-N 2.97Å; A280-L283 WeakPolarHBondContact O-CB 3.43Å; A280-L283 PolarHBondContact O-N 3.15Å; A280-L283 VanDerWaalsContact O-N 3.12Å; A280-K284 PolarHBondContact O-N 3.15Å; A280-L423 HydrophobicContact CB-CD1 4.36Å; A280-L423 HydrophobicContact CB-CD2 4.15Å; A280-Q460 PolarHBondContact O-NE2 2.96Å; A280-Q460 PolarHBondContact O-OE1 2.59Å; A280-V463 HydrophobicContact CB-CB 4.28Å; A280-V463 HydrophobicContact CB-CG1 4.31Å; A280-V463 HydrophobicContact CB-CG2 3.89Å
281N92.8Very high91.4Very high87 Ų8751.8 Ų51.847%0.46526%0.264SS..Hα-helixtrans-58.6-43.3175.1-71.3-23.9000111.4Q277 L283 K284 T285Q277-N281 WeakPolarHBondContact O-CB 3.07Å; Q277-N281 VanDerWaalsContact O-CG 3.25Å; Q277-N281 PolarHBondContact O-N 3.23Å; Q277-N281 PolarHBondContact O-ND2 2.94Å; N281-L283 VanDerWaalsContact C-N 3.29Å; N281-L283 PolarHBondContact O-N 2.95Å; N281-K284 WeakPolarHBondContact O-CA 3.49Å; N281-K284 WeakPolarHBondContact O-CB 3.17Å; N281-K284 PolarHBondContact O-N 3.27Å; N281-T285 PolarHBondContact O-N 3.18Å; N281-T285 PolarHBondContact O-OG1 3.03Å
282G90.8Very high91.1Very high3 Ų357.9 Ų57.93%0.03130%0.295CS..Hα-helixtrans-56.1-39.7174.800000114T278 L279 A280 K284 G286 E287 T288T278-G282 PolarHBondContact O-N 3.28Å; L279-G282 PolarHBondContact O-N 3.08Å; A280-G282 VanDerWaalsContact C-N 3.31Å; A280-G282 PolarHBondContact O-N 2.97Å; G282-K284 VanDerWaalsContact C-N 3.28Å; G282-K284 PolarHBondContact O-N 3.31Å; G282-G286 VanDerWaalsContact O-CA 3.25Å; G282-G286 WeakPolarHBondContact O-CA 3.42Å; G282-G286 PolarHBondContact O-N 3.03Å; G282-E287 WeakPolarHBondContact CA-O 3.04Å; G282-T288 WeakPolarHBondContact CA-OG1 3.37Å
283L89.7Confident90.7Very high38 Ų3860.9 Ų60.920%0.19932%0.315CS..Hα-helixtrans-66-29.2173.6-70.2177.9000113.2L279 A280 N281 I416 V419 L423L279-L283 WeakPolarHBondContact O-CG 3.38Å; L279-L283 PolarHBondContact O-N 3.33Å; L279-L283 VanDerWaalsContact O-N 3.09Å; A280-L283 WeakPolarHBondContact O-CB 3.43Å; A280-L283 PolarHBondContact O-N 3.15Å; A280-L283 VanDerWaalsContact O-N 3.12Å; N281-L283 VanDerWaalsContact C-N 3.29Å; N281-L283 PolarHBondContact O-N 2.95Å; L283-I416 HydrophobicContact CD2-CB 3.68Å; L283-I416 HydrophobicContact CD2-CG2 4.03Å; L283-V419 HydrophobicContact CD1-CG1 4.29Å; L283-V419 HydrophobicContact CD2-CB 3.82Å; L283-V419 HydrophobicContact CD2-CG1 3.65Å; L283-V419 HydrophobicContact CG-CB 4.45Å; L283-V419 HydrophobicContact CG-CG1 3.74Å; L283-L423 HydrophobicContact CD1-CD2 3.45Å; L283-L423 VanDerWaalsContact CD1-CD2 3.45Å
284K88.6Confident90.2Very high167 Ų16764.6 Ų64.673%0.72634%0.337SS*.Hα-helixtrans-84.5-41.6-177.9-175-178.1177.2-175.60112.4A280 N281 G282A280-K284 PolarHBondContact O-N 3.15Å; N281-K284 WeakPolarHBondContact O-CA 3.49Å; N281-K284 WeakPolarHBondContact O-CB 3.17Å; N281-K284 PolarHBondContact O-N 3.27Å; G282-K284 VanDerWaalsContact C-N 3.28Å; G282-K284 PolarHBondContact O-N 3.31Å
285T88.6Confident89.7Confident94 Ų9464.4 Ų64.458%0.57734%0.336SS*.Hα-helixtrans-98.7-23.5-173.460.20000113N281 E287N281-T285 PolarHBondContact O-N 3.18Å; N281-T285 PolarHBondContact O-OG1 3.03Å; T285-E287 PolarHBondContact O-N 3.1Å; T285-E287 PolarHBondContact OG1-N 2.95Å; T285-E287 PolarHBondContact OG1-O 3.33Å
286G83.1Confident89.1Confident54 Ų5470.6 Ų70.656%0.55738%0.38SS*.SBendtrans81.7-9.2-170.700000114G282 Y365G282-G286 VanDerWaalsContact O-CA 3.25Å; G282-G286 WeakPolarHBondContact O-CA 3.42Å; G282-G286 PolarHBondContact O-N 3.03Å; G286-Y365 PolarHBondContact O-OH 3.32Å
287E84.9Confident88.8Confident162 Ų16273.5 Ų73.576%0.75740%0.398SS*.  trans-115.6137.6-179.8-65.7-177.8172.300109.6G282 T285G282-E287 WeakPolarHBondContact CA-O 3.04Å; T285-E287 PolarHBondContact O-N 3.1Å; T285-E287 PolarHBondContact OG1-N 2.95Å; T285-E287 PolarHBondContact OG1-O 3.33Å
288T88.3Confident88.7Confident25 Ų2574.4 Ų74.415%0.15341%0.407CS..  trans-132.1121-178.1-60.90000110.3T278 G282 W290 Y365T278-T288 HydrophobicContact CG2-CG2 3.36Å; G282-T288 WeakPolarHBondContact CA-OG1 3.37Å; T288-W290 HydrophobicContact CG2-CD2 3.77Å; T288-W290 HydrophobicContact CG2-CE3 4.02Å; T288-W290 HydrophobicContact CG2-CG 4.28Å; T288-W290 HydrophobicContact CG2-CH2 4.09Å; T288-W290 HydrophobicContact CG2-CZ2 3.84Å; T288-W290 HydrophobicContact CG2-CZ3 4.17Å; T288-W290 PolarHBondContact O-N 3.41Å; T288-Y365 VanDerWaalsContact OG1-CZ 3.32Å; T288-Y365 PolarHBondContact OG1-OH 2.98Å
289E88.3Confident88.6Confident181 Ų18173.3 Ų73.385%0.84640%0.401SS*.  trans-83.2101.1165.8-65.9-178.2173.500108T278T278-E289 WeakPolarHBondContact CG2-O 3.28Å
290W89.6Confident88.6Confident64 Ų6474.3 Ų74.324%0.24241%0.407CS..PPolyproline II helixtrans-70.8137.7-178.4-61.897000110.8F275 L279 T288 V362 S364 Y365 I368F275-W290 HydrophobicContact CE2-CZ3 4.48Å; L279-W290 HydrophobicContact CD2-CH2 4.22Å; L279-W290 HydrophobicContact CD2-CZ3 3.93Å; T288-W290 HydrophobicContact CG2-CD2 3.77Å; T288-W290 HydrophobicContact CG2-CE3 4.02Å; T288-W290 HydrophobicContact CG2-CG 4.28Å; T288-W290 HydrophobicContact CG2-CH2 4.09Å; T288-W290 HydrophobicContact CG2-CZ2 3.84Å; T288-W290 HydrophobicContact CG2-CZ3 4.17Å; T288-W290 PolarHBondContact O-N 3.41Å; W290-V362 HydrophobicContact CE3-CG1 3.95Å; W290-V362 HydrophobicContact CH2-CG1 4.27Å; W290-V362 HydrophobicContact CZ3-CG1 3.53Å; W290-S364 VanDerWaalsContact CZ2-C 3.45Å; W290-Y365 AromaticContact CH2-CD1 3.98Å; W290-Y365 HydrophobicContact CH2-CD1 3.98Å; W290-Y365 HydrophobicContact CH2-CE1 4.21Å; W290-Y365 HydrophobicContact CH2-CG 4.37Å; W290-Y365 AromaticContact CZ2-CD1 3.71Å; W290-Y365 HydrophobicContact CZ2-CD1 3.71Å; W290-Y365 AromaticContact CZ2-CD2 3.89Å; W290-Y365 HydrophobicContact CZ2-CD2 3.89Å; W290-Y365 AromaticContact CZ2-CE1 3.92Å; W290-Y365 HydrophobicContact CZ2-CE1 3.92Å; W290-Y365 HydrophobicContact CZ2-CE2 4.1Å; W290-Y365 AromaticContact CZ2-CG 3.74Å; W290-Y365 HydrophobicContact CZ2-CG 3.74Å; W290-Y365 VanDerWaalsContact CZ2-N 3.31Å; W290-I368 HydrophobicContact CH2-CD1 3.74Å; W290-I368 HydrophobicContact CZ3-CD1 4.09Å
291M87.4Confident88.5Confident35 Ų3578 Ų7817%0.17243%0.426CS..PPolyproline II helixtrans-68.8153.6173.5-53.6-168.8-34.600110.6E274 F275 P293E274-M291 HydrophobicContact CB-SD 4.13Å; E274-M291 HydrophobicContact CG-SD 3.88Å; F275-M291 HydrophobicContact CB-CE 3.47Å; F275-M291 VanDerWaalsContact CB-CE 3.47Å; F275-M291 HydrophobicContact CB-SD 3.97Å; F275-M291 HydrophobicContact CD2-CE 3.74Å; F275-M291 HydrophobicContact CD2-CG 4.5Å; F275-M291 HydrophobicContact CD2-SD 4.35Å; F275-M291 HydrophobicContact CG-CE 3.96Å; F275-M291 PolarHBondContact N-SD 3.1Å; M291-P293 WeakPolarHBondContact O-CD 3.48Å
292E85.9Confident88.5Confident174 Ų17475 Ų7581%0.81341%0.41SS*.PPolyproline II helixtrans-63.3128.3175.1-66.9-170.7163.100111.2V294E292-V294 PolarHBondContact O-N 3.01Å
293P85.9Confident88.6Confident70 Ų7074.8 Ų74.846%0.45541%0.409SS..PPolyproline II helixtrans-56.5131.9174.3-28.437.1000112.1M291 K360M291-P293 WeakPolarHBondContact O-CD 3.48Å; P293-K360 CarbonylContact C-O 3.52Å; P293-K360 WeakPolarHBondContact CA-O 3.48Å
294V83.9Confident88.8Confident79 Ų7977.3 Ų77.348%0.47942%0.418SS..SBendtrans-78.3-32.6175.5-175.40000110.9R271 E292 K360R271-V294 VanDerWaalsContact NH1-CG2 3.26Å; E292-V294 PolarHBondContact O-N 3.01Å; V294-K360 HydrophobicContact CB-CB 4.41Å; V294-K360 PolarHBondContact N-O 2.98Å
295E84.1Confident89.1Confident63 Ų6372.8 Ų72.829%0.29440%0.404SS..SBendtrans-110.9141.8179.8-65.7-175.3-166.100110.6T297 L302 K360E295-T297 PolarHBondContact O-N 3.28Å; E295-L302 WeakPolarHBondContact OE2-CD1 3.34Å; E295-L302 WeakPolarHBondContact OE2-CD2 3.46Å; E295-K360 HydrophobicContact CG-CB 4.28Å; E295-K360 HydrophobicContact CG-CD 4.12Å; E295-K360 PolarHBondContact N-O 3.08Å; E295-K360 WeakPolarHBondContact OE1-CD 3.32Å; E295-K360 IonicContact OE1-NZ 2.91Å; E295-K360 PolarHBondContact OE1-NZ 2.91Å
296S84.4Confident89.3Confident133 Ų13368.5 Ų68.593%0.9338%0.377SS*.SBendtrans-72.1-16.7175.856.50000113.2
297T89.4Confident89.8Confident60 Ų6066.9 Ų66.937%0.36836%0.356SS..SBendtrans-79.4132.7177.7-56.10000109.7E295 N301 L302 S361E295-T297 PolarHBondContact O-N 3.28Å; T297-N301 HydrophobicContact CG2-CB 3.71Å; T297-L302 HydrophobicContact CG2-CD2 3.84Å; T297-L302 HydrophobicContact CG2-CG 3.94Å; T297-S361 WeakPolarHBondContact O-CB 3.35Å; T297-S361 PolarHBondContact O-OG 2.83Å
298S92.4Very high90.1Very high49 Ų4964.8 Ų64.834%0.34335%0.346SS..  trans-64.2149.3179.269.10000112.6V300 N301 L302S298-V300 PolarHBondContact O-N 2.91Å; S298-N301 PolarHBondContact O-N 3.45Å; S298-N301 VanDerWaalsContact OG-CG 3.32Å; S298-N301 PolarHBondContact OG-N 3.4Å; S298-N301 PolarHBondContact OG-ND2 3.29Å; S298-L302 PolarHBondContact O-N 2.81Å
299A92.3Very high90.2Very high0 Ų067.9 Ų67.90%036%0.359CS..Hα-helixtrans-55.4-37.417900000112.7L302 T303 V362 D367 C371A299-L302 PolarHBondContact O-N 3.06Å; A299-T303 WeakPolarHBondContact O-CB 3.39Å; A299-T303 PolarHBondContact O-N 3.38Å; A299-T303 PolarHBondContact O-OG1 3.33Å; A299-V362 HydrophobicContact CB-CG2 3.72Å; A299-D367 HydrophobicContact CB-CB 4.37Å; A299-C371 PolarHBondContact O-SG 2.82Å
300V94.3Very high90.2Very high22 Ų2261.1 Ų61.113%0.13333%0.328CS..Hα-helixtrans-63.5-42177.3-179.50000111.2S298 T303 K304 D370 C371 L374S298-V300 PolarHBondContact O-N 2.91Å; V300-T303 PolarHBondContact O-N 2.74Å; V300-K304 WeakPolarHBondContact O-CG 3.47Å; V300-K304 PolarHBondContact O-N 3.12Å; V300-D370 HydrophobicContact CG2-CB 3.82Å; V300-C371 VanDerWaalsContact CA-SG 3.6Å; V300-C371 PolarHBondContact N-SG 2.87Å; V300-L374 HydrophobicContact CG1-CD1 3.73Å
301N93.4Very high90.1Very high77 Ų7763.9 Ų63.941%0.41234%0.339SS..Hα-helixtrans-70-42.2178.3-74.3-15.6000111.5T297 S298 T303 K304 V305T297-N301 HydrophobicContact CG2-CB 3.71Å; S298-N301 PolarHBondContact O-N 3.45Å; S298-N301 VanDerWaalsContact OG-CG 3.32Å; S298-N301 PolarHBondContact OG-N 3.4Å; S298-N301 PolarHBondContact OG-ND2 3.29Å; N301-T303 VanDerWaalsContact C-N 3.26Å; N301-T303 PolarHBondContact O-N 2.75Å; N301-K304 PolarHBondContact O-N 3.29Å; N301-V305 WeakPolarHBondContact O-CG2 3.38Å; N301-V305 PolarHBondContact O-N 2.91Å
302L92.4Very high90Very high24 Ų2466.4 Ų66.413%0.12635%0.353CS..Hα-helixtrans-58.4-40.4173.5-68.3178.2000111.8E295 T297 S298 A299 Y306 R357 S361E295-L302 WeakPolarHBondContact OE2-CD1 3.34Å; E295-L302 WeakPolarHBondContact OE2-CD2 3.46Å; T297-L302 HydrophobicContact CG2-CD2 3.84Å; T297-L302 HydrophobicContact CG2-CG 3.94Å; S298-L302 PolarHBondContact O-N 2.81Å; A299-L302 PolarHBondContact O-N 3.06Å; L302-Y306 WeakPolarHBondContact O-CB 3.31Å; L302-Y306 PolarHBondContact O-N 3.47Å; L302-R357 HydrophobicContact CB-CB 4.44Å; L302-S361 VanDerWaalsContact CD1-OG 3.28Å; L302-S361 WeakPolarHBondContact CD1-OG 3.36Å
303T94.3Very high89.7Confident0 Ų063.3 Ų63.30%034%0.34CS..Hα-helixtrans-65.1-44176.3-57.90000111.5A299 V300 N301 Y306 L307 L354 C371 V375A299-T303 WeakPolarHBondContact O-CB 3.39Å; A299-T303 PolarHBondContact O-N 3.38Å; A299-T303 PolarHBondContact O-OG1 3.33Å; V300-T303 PolarHBondContact O-N 2.74Å; N301-T303 VanDerWaalsContact C-N 3.26Å; N301-T303 PolarHBondContact O-N 2.75Å; T303-Y306 PolarHBondContact O-N 3.32Å; T303-L307 HydrophobicContact CG2-CD1 4.26Å; T303-L307 VanDerWaalsContact O-CG 3.3Å; T303-L307 WeakPolarHBondContact O-CG 3.35Å; T303-L307 PolarHBondContact O-N 3.34Å; T303-L354 HydrophobicContact CG2-CD1 3.97Å; T303-C371 HydrophobicContact CG2-CB 4.31Å; T303-C371 PolarHBondContact OG1-SG 2.95Å; T303-C371 VanDerWaalsContact OG1-SG 3.35Å; T303-V375 HydrophobicContact CG2-CG2 3.85Å
304K93.7Very high88.6Confident91 Ų9161.8 Ų61.840%0.39634%0.337SS..Hα-helixtrans-60.5-48.5176.2-73.8175.3-176.6171.30112.1V300 N301 Y306 L307 E308 L374V300-K304 WeakPolarHBondContact O-CG 3.47Å; V300-K304 PolarHBondContact O-N 3.12Å; N301-K304 PolarHBondContact O-N 3.29Å; K304-Y306 VanDerWaalsContact C-N 3.26Å; K304-Y306 PolarHBondContact O-N 2.81Å; K304-L307 PolarHBondContact O-N 2.94Å; K304-E308 WeakPolarHBondContact O-CG 3.36Å; K304-E308 PolarHBondContact O-N 3Å; K304-L374 HydrophobicContact CD-CD1 4.42Å; K304-L374 HydrophobicContact CG-CD1 3.73Å
305V93.5Very high87.8Confident71 Ų7162.5 Ų62.543%0.4333%0.333SS..Hα-helixtrans-56.8-45.4177.9172.20000110N301 L307 E308 E309N301-V305 WeakPolarHBondContact O-CG2 3.38Å; N301-V305 PolarHBondContact O-N 2.91Å; V305-L307 PolarHBondContact O-N 2.97Å; V305-E308 PolarHBondContact O-N 3.07Å; V305-E309 HydrophobicContact CG1-CG 4.46Å; V305-E309 WeakPolarHBondContact O-CG 3.47Å; V305-E309 PolarHBondContact O-N 3.17Å
306Y93.5Very high86.7Confident4 Ų462.9 Ų62.92%0.01634%0.34CS..Hα-helixtrans-62.7-42.4178.2-179-136.9000113.4L302 T303 K304 E308 E309 L310 F350 Q353 L354 R357L302-Y306 WeakPolarHBondContact O-CB 3.31Å; L302-Y306 PolarHBondContact O-N 3.47Å; T303-Y306 PolarHBondContact O-N 3.32Å; K304-Y306 VanDerWaalsContact C-N 3.26Å; K304-Y306 PolarHBondContact O-N 2.81Å; Y306-E308 VanDerWaalsContact C-N 3.31Å; Y306-E308 PolarHBondContact O-N 3.49Å; Y306-E309 WeakPolarHBondContact O-CB 3.17Å; Y306-E309 PolarHBondContact O-N 3.34Å; Y306-L310 HydrophobicContact CD2-CD1 4.3Å; Y306-L310 HydrophobicContact CD2-CG 4.35Å; Y306-L310 HydrophobicContact CE1-CD1 4.11Å; Y306-L310 HydrophobicContact CE2-CD1 3.88Å; Y306-L310 HydrophobicContact CE2-CD2 4.26Å; Y306-L310 HydrophobicContact CE2-CG 3.99Å; Y306-L310 WeakPolarHBondContact O-CG 3.2Å; Y306-L310 PolarHBondContact O-N 3.18Å; Y306-L310 VanDerWaalsContact O-N 3.13Å; Y306-F350 HydrophobicContact CD1-CE2 4.29Å; Y306-F350 AromaticContact CE1-CD2 3.68Å; Y306-F350 HydrophobicContact CE1-CD2 3.68Å; Y306-F350 AromaticContact CE1-CE2 3.58Å; Y306-F350 HydrophobicContact CE1-CE2 3.58Å; Y306-F350 HydrophobicContact CE1-CZ 4.42Å; Y306-F350 AromaticContact CZ-CD2 3.78Å; Y306-F350 WeakPolarHBondContact OH-CA 3.27Å; Y306-F350 WeakPolarHBondContact OH-CD2 3.34Å; Y306-F350 PolarHBondContact OH-O 2.93Å; Y306-Q353 HydrophobicContact CE1-CB 4.16Å; Y306-Q353 HydrophobicContact CE2-CB 4.29Å; Y306-Q353 VanDerWaalsContact OH-CB 3.22Å; Y306-Q353 WeakPolarHBondContact OH-CB 3.42Å; Y306-Q353 PolarHBondContact OH-OE1 3.02Å; Y306-L354 HydrophobicContact CE1-CB 4.33Å; Y306-R357 VanDerWaalsContact CD2-NH2 3.29Å
307L93.2Very high85.3Confident20 Ų2061.8 Ų61.811%0.10532%0.323CS..Hα-helixtrans-63.4-38175.2-69177000112T303 K304 V305 R311 F350 L374 V375 A378 I384T303-L307 HydrophobicContact CG2-CD1 4.26Å; T303-L307 VanDerWaalsContact O-CG 3.3Å; T303-L307 WeakPolarHBondContact O-CG 3.35Å; T303-L307 PolarHBondContact O-N 3.34Å; K304-L307 PolarHBondContact O-N 2.94Å; V305-L307 PolarHBondContact O-N 2.97Å; L307-R311 WeakPolarHBondContact O-CB 3.21Å; L307-R311 PolarHBondContact O-N 3.42Å; L307-F350 HydrophobicContact CD2-CE2 4.3Å; L307-F350 HydrophobicContact CD2-CZ 4.31Å; L307-L374 HydrophobicContact CD1-CB 4.09Å; L307-V375 HydrophobicContact CD1-CG2 4.46Å; L307-V375 HydrophobicContact CD2-CG2 4.42Å; L307-A378 HydrophobicContact CD1-CB 4.29Å; L307-A378 HydrophobicContact CD2-CB 4.3Å; L307-I384 HydrophobicContact CD2-CD1 3.71Å
308E92.1Very high83.5Confident118 Ų11866.3 Ų66.355%0.55134%0.34SS*.Hα-helixtrans-66.9-42.2175.3-72.6177.9-175.200112.3K304 V305 Y306 L310 R311 N312K304-E308 WeakPolarHBondContact O-CG 3.36Å; K304-E308 PolarHBondContact O-N 3Å; V305-E308 PolarHBondContact O-N 3.07Å; Y306-E308 VanDerWaalsContact C-N 3.31Å; Y306-E308 PolarHBondContact O-N 3.49Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.4Å; E308-R311 PolarHBondContact O-N 3.4Å; E308-N312 WeakPolarHBondContact O-CB 3.5Å; E308-N312 PolarHBondContact O-N 3.13Å; E308-N312 PolarHBondContact O-ND2 3.28Å
309E90.9Very high81.3Confident90 Ų9069.5 Ų69.542%0.42135%0.354SS..Hα-helixtrans-55-48.3173.9-74.5171.1174.300111.2V305 Y306 R311 N312 M313 R357V305-E309 HydrophobicContact CG1-CG 4.46Å; V305-E309 WeakPolarHBondContact O-CG 3.47Å; V305-E309 PolarHBondContact O-N 3.17Å; Y306-E309 WeakPolarHBondContact O-CB 3.17Å; Y306-E309 PolarHBondContact O-N 3.34Å; E309-R311 PolarHBondContact O-N 2.65Å; E309-N312 PolarHBondContact O-N 3.46Å; E309-M313 WeakPolarHBondContact O-CB 3.33Å; E309-M313 PolarHBondContact O-N 2.83Å; E309-R357 IonicContact OE2-NH2 2.75Å; E309-R357 PolarHBondContact OE2-NH2 3.05Å; E309-R357 VanDerWaalsContact OE2-NH2 3.17Å
310L88.1Confident79.1Confident40 Ų4074.6 Ų74.621%0.20938%0.377CS..Hα-helixtrans-64.7-40.7178.5-69.8168.9000112.4Y306 E308 N312 M313 G314 F350 I384Y306-L310 HydrophobicContact CD2-CD1 4.3Å; Y306-L310 HydrophobicContact CD2-CG 4.35Å; Y306-L310 HydrophobicContact CE1-CD1 4.11Å; Y306-L310 HydrophobicContact CE2-CD1 3.88Å; Y306-L310 HydrophobicContact CE2-CD2 4.26Å; Y306-L310 HydrophobicContact CE2-CG 3.99Å; Y306-L310 WeakPolarHBondContact O-CG 3.2Å; Y306-L310 PolarHBondContact O-N 3.18Å; Y306-L310 VanDerWaalsContact O-N 3.13Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 3.4Å; L310-N312 VanDerWaalsContact C-N 3.32Å; L310-N312 PolarHBondContact O-N 2.98Å; L310-M313 PolarHBondContact O-N 3.47Å; L310-G314 PolarHBondContact O-N 2.87Å; L310-F350 HydrophobicContact CD1-CD2 3.43Å; L310-F350 VanDerWaalsContact CD1-CD2 3.43Å; L310-F350 HydrophobicContact CD1-CE2 3.35Å; L310-I384 HydrophobicContact CB-CG2 4.38Å
311R87.6Confident76.5Confident122 Ų12278.1 Ų78.146%0.4641%0.408SS..Hα-helixtrans-63.2-41.1176.2-170.6-179.3-173.6-173.36.8111.3L307 E308 E309 G314 K315L307-R311 WeakPolarHBondContact O-CB 3.21Å; L307-R311 PolarHBondContact O-N 3.42Å; E308-R311 PolarHBondContact O-N 3.4Å; E309-R311 PolarHBondContact O-N 2.65Å; R311-G314 PolarHBondContact O-N 3.25Å; R311-K315 WeakPolarHBondContact O-CG 3.45Å; R311-K315 PolarHBondContact O-N 3.06Å; R311-K315 VanDerWaalsContact O-N 3.11Å
312N84.3Confident74.2Confident88 Ų8878.3 Ų78.347%0.47142%0.421SS..Hα-helixtrans-70.3-36.1178.9-69-23.9000111.8E308 E309 L310 K315 T316E308-N312 WeakPolarHBondContact O-CB 3.5Å; E308-N312 PolarHBondContact O-N 3.13Å; E308-N312 PolarHBondContact O-ND2 3.28Å; E309-N312 PolarHBondContact O-N 3.46Å; L310-N312 VanDerWaalsContact C-N 3.32Å; L310-N312 PolarHBondContact O-N 2.98Å; N312-K315 PolarHBondContact O-N 3Å; N312-T316 PolarHBondContact O-N 3.15Å; N312-T316 PolarHBondContact O-OG1 2.97Å
313M79Confident71.7Confident109 Ų10985.6 Ų85.654%0.53745%0.452SS..Hα-helixtrans-64-42.1173-164.6-174.5-60.800111.8E309 L310 K315 T316 L317E309-M313 WeakPolarHBondContact O-CB 3.33Å; E309-M313 PolarHBondContact O-N 2.83Å; L310-M313 PolarHBondContact O-N 3.47Å; M313-K315 VanDerWaalsContact C-N 3.34Å; M313-K315 PolarHBondContact O-N 3.01Å; M313-T316 WeakPolarHBondContact CA-OG1 3.48Å; M313-T316 PolarHBondContact O-N 3.15Å; M313-T316 PolarHBondContact O-OG1 3.01Å; M313-L317 HydrophobicContact CG-CD1 4.24Å; M313-L317 WeakPolarHBondContact O-CB 3.43Å; M313-L317 WeakPolarHBondContact O-CG 3.46Å; M313-L317 PolarHBondContact O-N 2.83Å
314G64.8Low68.9Low38 Ų3892 Ų9239%0.39249%0.491SS..Hα-helixtrans-62-39.4174.700000113.2L310 R311 Q318L310-G314 PolarHBondContact O-N 2.87Å; R311-G314 PolarHBondContact O-N 3.25Å; G314-Q318 PolarHBondContact O-N 2.84Å
315K66.3Low66.2Low93 Ų9393.4 Ų93.440%0.40451%0.507SS..Hα-helixtrans-69.4-44.4175.8-71173.3-177.4174.30112.5R311 N312 M313 L317 Q318 D319R311-K315 WeakPolarHBondContact O-CG 3.45Å; R311-K315 PolarHBondContact O-N 3.06Å; R311-K315 VanDerWaalsContact O-N 3.11Å; N312-K315 PolarHBondContact O-N 3Å; M313-K315 VanDerWaalsContact C-N 3.34Å; M313-K315 PolarHBondContact O-N 3.01Å; K315-L317 VanDerWaalsContact C-N 3.34Å; K315-L317 PolarHBondContact O-N 3.16Å; K315-Q318 PolarHBondContact O-N 2.84Å; K315-D319 WeakPolarHBondContact O-CB 3.34Å; K315-D319 PolarHBondContact O-N 3.5Å
316T60.8Low63.2Low72 Ų7298 Ų9844%0.44252%0.524SS..Hα-helixtrans-65.8-34178.532.90000112.5N312 M313 D319 Q320N312-T316 PolarHBondContact O-N 3.15Å; N312-T316 PolarHBondContact O-OG1 2.97Å; M313-T316 WeakPolarHBondContact CA-OG1 3.48Å; M313-T316 PolarHBondContact O-N 3.15Å; M313-T316 PolarHBondContact O-OG1 3.01Å; T316-D319 PolarHBondContact O-N 3.03Å; T316-Q320 WeakPolarHBondContact O-CB 3.39Å; T316-Q320 WeakPolarHBondContact O-CG 3.43Å; T316-Q320 PolarHBondContact O-N 3.48Å
317L54.6Low60.1Low110 Ų110103.8 Ų103.858%0.57656%0.56SS**Hα-helixtrans-70.2-34.6172.8-74165.2000112.8M313 K315 A321M313-L317 HydrophobicContact CG-CD1 4.24Å; M313-L317 WeakPolarHBondContact O-CB 3.43Å; M313-L317 WeakPolarHBondContact O-CG 3.46Å; M313-L317 PolarHBondContact O-N 2.83Å; K315-L317 VanDerWaalsContact C-N 3.34Å; K315-L317 PolarHBondContact O-N 3.16Å; L317-A321 PolarHBondContact O-N 2.89Å
318Q52.4Low57.1Low155 Ų155108.5 Ų108.572%0.72459%0.591SS**Hα-helixtrans-69.7-37.2171.5-91.3-180-20.600112.7G314 K315G314-Q318 PolarHBondContact O-N 2.84Å; K315-Q318 PolarHBondContact O-N 2.84Å
319D46.5Very low54.3Low116 Ų116112.5 Ų112.562%0.6261%0.607SS**Hα-helixtrans-78-30.9177.6-76.2-25.5000112.6K315 T316 A321 A322K315-D319 WeakPolarHBondContact O-CB 3.34Å; K315-D319 PolarHBondContact O-N 3.5Å; T316-D319 PolarHBondContact O-N 3.03Å; D319-A321 VanDerWaalsContact C-N 3.32Å; D319-A322 WeakPolarHBondContact O-CB 3.31Å; D319-A322 PolarHBondContact O-N 3.16Å; D319-A322 VanDerWaalsContact O-N 3.09Å
320Q45Very low51.3Low107 Ų107116.2 Ų116.250%0.563%0.629SS.*Hα-helixtrans-74.3-20174.2-77.6179.911.700113.1T316 A322 K323T316-Q320 WeakPolarHBondContact O-CB 3.39Å; T316-Q320 WeakPolarHBondContact O-CG 3.43Å; T316-Q320 PolarHBondContact O-N 3.48Å; Q320-A322 PolarHBondContact O-N 3.47Å; Q320-A322 VanDerWaalsContact O-N 3.12Å; Q320-K323 PolarHBondContact O-N 2.77Å; Q320-K323 VanDerWaalsContact O-O 3.12Å
321A41Very low48.5Very low95 Ų95123.5 Ų123.579%0.78566%0.659SS**THydrogen-bonded Turntrans-63-11.7165.600000112.6L317 D319L317-A321 PolarHBondContact O-N 2.89Å; D319-A321 VanDerWaalsContact C-N 3.32Å
322A45.2Very low45.7Very low82 Ų82126.6 Ų126.668%0.67868%0.679SS**THydrogen-bonded Turntrans-105.2-10.6175.600000115.2D319 Q320D319-A322 WeakPolarHBondContact O-CB 3.31Å; D319-A322 PolarHBondContact O-N 3.16Å; D319-A322 VanDerWaalsContact O-N 3.09Å; Q320-A322 PolarHBondContact O-N 3.47Å; Q320-A322 VanDerWaalsContact O-N 3.12Å
323K38.2Very low43.2Very low176 Ų176131.4 Ų131.477%0.76570%0.698SS**SBendtrans-150.9133176.3-70.9-171.3-179.3172.50113.7Q320Q320-K323 PolarHBondContact O-N 2.77Å; Q320-K323 VanDerWaalsContact O-O 3.12Å
324T35.4Very low41.1Very low136 Ų136132.1 Ų132.183%0.83471%0.709SS**  trans-67.8137.7-177.8-16.60000114
325V37.4Very low39.4Very low119 Ų119138.3 Ų138.372%0.72173%0.733SS**  trans69.2120.2155.8-138.80000121.1
326E31Very low38.1Very low169 Ų169136.8 Ų136.879%0.7973%0.732SS**  137.2107.3123.3-75.1-161.7175.800112.1P328E326-P328 WeakPolarHBondContact O-CD 3.46Å
327T28.9Very low37.5Very low125 Ų125136.2 Ų136.277%0.76773%0.731SS**  trans-86.7118.317238.90000110.7
328P30.2Very low37.2Very low119 Ų119137.2 Ų137.277%0.77374%0.736SS**  trans-88.7122.516025.1-12.8000109.5E326 L330E326-P328 WeakPolarHBondContact O-CD 3.46Å; P328-L330 PolarHBondContact O-N 3.1Å
329K33.1Very low37Very low201 Ų201134.8 Ų134.887%0.87472%0.723SS**  trans-66.3109.7166.2-76.4179.7173.8-1780108.4K331K329-K331 PolarHBondContact O-N 3.02Å
330L27.1Very low37.1Very low169 Ų169131.3 Ų131.389%0.88571%0.705SS**  trans-77.2107.7168.6-159.778000107.8P328P328-L330 PolarHBondContact O-N 3.1Å
331K30Very low37.4Very low193 Ų193129.1 Ų129.184%0.83971%0.705SS**  trans-76.8121.4167.4-70.9-179.5174.4-174.60107.7K329K329-K331 PolarHBondContact O-N 3.02Å
332Q28.3Very low38Very low187 Ų187132.1 Ų132.187%0.87470%0.7SS**  trans-87.3117.7161.7-119.8172.4-6.700107.2T334Q332-T334 PolarHBondContact O-N 3.42Å
333E32.7Very low38.8Very low189 Ų189129.4 Ų129.488%0.88368%0.675SS**  trans-77.499.7178.3-70.4178.5161.300110
334T33.7Very low40.3Very low124 Ų124127.9 Ų127.976%0.76167%0.67SS**  trans-137.9111.5142.8-47.30000103.2Q332 P336Q332-T334 PolarHBondContact O-N 3.42Å; T334-P336 WeakPolarHBondContact O-CD 3.48Å
335D30.7Very low42.6Very low167 Ų167122.4 Ų122.489%0.89363%0.634SS**  trans-58.9107.6176.5-102.8-25.1000107.5S337D335-S337 PolarHBondContact O-N 3.32Å
336P38.9Very low44.5Very low61 Ų61120.6 Ų120.640%0.39664%0.639SS.*  trans-62.9140.417028.4-30.1000106.3T334 I338 N340 A341T334-P336 WeakPolarHBondContact O-CD 3.48Å; P336-I338 PolarHBondContact O-N 3.09Å; P336-N340 HydrophobicContact CB-CB 3.97Å; P336-A341 HydrophobicContact CG-CB 4.14Å
337S46.9Very low47.1Very low60 Ų60117 Ų11742%0.4263%0.626SS.*  trans-48.5141.9166.678.10000107.7D335 F339 N340 A341D335-S337 PolarHBondContact O-N 3.32Å; S337-F339 CarbonylContact O-C 3.56Å; S337-F339 PolarHBondContact O-N 3.49Å; S337-N340 PolarHBondContact O-N 3.22Å; S337-N340 VanDerWaalsContact OG-CG 3.29Å; S337-N340 PolarHBondContact OG-N 3.48Å; S337-N340 PolarHBondContact OG-OD1 3.07Å; S337-A341 PolarHBondContact O-N 3.08Å
338I49.3Very low50.1Low132 Ų132112.9 Ų112.968%0.67760%0.599SS**THydrogen-bonded Turntrans-48.4-32.1-176.1-66.4169.7000110.9P336 F342P336-I338 PolarHBondContact O-N 3.09Å; I338-F342 HydrophobicContact CG2-CE2 4.06Å; I338-F342 WeakPolarHBondContact O-CD2 3.43Å
339F47.1Very low53.1Low103 Ų103107.3 Ų107.345%0.45256%0.562SS.*THydrogen-bonded Turntrans-69.3-44.4175.6-68.5-77.8000114.5P265 S337 A341 F342 L343 T481P265-F339 HydrophobicContact CB-CB 4.11Å; P265-F339 HydrophobicContact CB-CD1 4.42Å; P265-F339 HydrophobicContact CB-CG 4.37Å; P265-F339 HydrophobicContact CG-CD1 4.36Å; P265-F339 HydrophobicContact CG-CG 4.44Å; S337-F339 CarbonylContact O-C 3.56Å; S337-F339 PolarHBondContact O-N 3.49Å; F339-A341 PolarHBondContact O-N 3.4Å; F339-F342 PolarHBondContact O-N 3.44Å; F339-F342 VanDerWaalsContact O-N 3.09Å; F339-L343 WeakPolarHBondContact O-CD1 3.37Å; F339-T481 HydrophobicContact CD1-CG2 4.08Å; F339-T481 HydrophobicContact CE1-CG2 3.56Å; F339-T481 HydrophobicContact CZ-CG2 4.48Å
340N49.5Very low56.1Low44 Ų4498 Ų9824%0.23552%0.522CS..Hα-helixtrans-60.6-33.8178.8-71.7-4.6000111.7P336 S337 F342 L343 E344P336-N340 HydrophobicContact CB-CB 3.97Å; S337-N340 PolarHBondContact O-N 3.22Å; S337-N340 VanDerWaalsContact OG-CG 3.29Å; S337-N340 PolarHBondContact OG-N 3.48Å; S337-N340 PolarHBondContact OG-OD1 3.07Å; N340-F342 VanDerWaalsContact C-N 3.28Å; N340-F342 PolarHBondContact O-N 3.44Å; N340-L343 PolarHBondContact O-N 3.48Å; N340-E344 PolarHBondContact O-N 3.2Å
341A50.2Low59.3Low61 Ų6190.1 Ų90.150%0.50448%0.481SS..Hα-helixtrans-65.9-25.4177.600000114.1P336 S337 F339P336-A341 HydrophobicContact CG-CB 4.14Å; S337-A341 PolarHBondContact O-N 3.08Å; F339-A341 PolarHBondContact O-N 3.4Å
342F53.7Low62.4Low157 Ų15781.1 Ų81.169%0.68944%0.442SS*.Hα-helixtrans-79.3-20.1178.5-84.1-79.3000113.4I338 F339 N340I338-F342 HydrophobicContact CG2-CE2 4.06Å; I338-F342 WeakPolarHBondContact O-CD2 3.43Å; F339-F342 PolarHBondContact O-N 3.44Å; F339-F342 VanDerWaalsContact O-N 3.09Å; N340-F342 VanDerWaalsContact C-N 3.28Å; N340-F342 PolarHBondContact O-N 3.44Å
343L62.2Low65.6Low26 Ų2675.1 Ų75.114%0.13641%0.414CS..Hα-helixtrans-107.8-22.6-170.9-69.6142.9000113.5M266 M269 F339 N340 R345 Y437M266-L343 HydrophobicContact CE-CD1 3.15Å; M266-L343 HydrophobicContact CE-CD2 3.6Å; M266-L343 HydrophobicContact CE-CG 3.99Å; M266-L343 HydrophobicContact SD-CD2 4.16Å; M269-L343 HydrophobicContact CE-CB 4.47Å; M269-L343 HydrophobicContact CE-CD2 4.21Å; F339-L343 WeakPolarHBondContact O-CD1 3.37Å; N340-L343 PolarHBondContact O-N 3.48Å; L343-R345 PolarHBondContact O-N 3.45Å; L343-Y437 HydrophobicContact CD2-CD2 3.42Å; L343-Y437 VanDerWaalsContact CD2-CD2 3.42Å; L343-Y437 HydrophobicContact CD2-CE2 3.63Å; L343-Y437 HydrophobicContact CD2-CG 4.24Å; L343-Y437 HydrophobicContact CG-CD2 4.46Å
344E69.8Low68.6Low143 Ų14366.2 Ų66.267%0.66837%0.373SS*.  trans-73.6112.7-179.9-77.2-175.8178.700111.5N340 G346N340-E344 PolarHBondContact O-N 3.2Å; E344-G346 PolarHBondContact O-N 3.25Å
345R84.1Confident71.5Confident21 Ų2160.3 Ų60.38%0.07934%0.336CS..  trans-68.7119.2170.9179.5171.953.41211.7109.8L343 D347 L348 E352 K429 K432 D433L343-R345 PolarHBondContact O-N 3.45Å; R345-D347 WeakPolarHBondContact CD-OD1 3.45Å; R345-D347 WeakPolarHBondContact CG-OD1 3.5Å; R345-L348 HydrophobicContact CB-CD2 4.37Å; R345-L348 HydrophobicContact CG-CD2 4.4Å; R345-L348 WeakPolarHBondContact O-CG 3.27Å; R345-E352 IonicContact CZ-OE1 2.85Å; R345-E352 IonicContact CZ-OE2 3.15Å; R345-E352 IonicContact NH1-OE1 3.53Å; R345-E352 PolarHBondContact NH1-OE1 3.09Å; R345-E352 IonicContact NH1-OE2 3.56Å; R345-E352 PolarHBondContact NH1-OE2 3.22Å; R345-E352 VanDerWaalsContact NH2-CD 3.33Å; R345-E352 IonicContact NH2-OE1 2.92Å; R345-E352 PolarHBondContact NH2-OE1 3.47Å; R345-E352 IonicContact NH2-OE2 3.36Å; R345-K429 PolarHBondContact NH2-O 3.23Å; R345-K432 VanDerWaalsContact CZ-CB 3.48Å; R345-D433 IonicContact CZ-OD1 3.17Å; R345-D433 IonicContact NE-OD1 3.96Å; R345-D433 PolarHBondContact NE-OD1 3.41Å; R345-D433 IonicContact NH2-OD1 2.79Å; R345-D433 PolarHBondContact NH2-OD1 3.29Å
346G77.9Confident74.5Confident81 Ų8154 Ų5484%0.83530%0.303SS*.SBendtrans-84-13.3-175.200000115.7E344 L348E344-G346 PolarHBondContact O-N 3.25Å; G346-L348 PolarHBondContact O-N 2.89Å
347D85.6Confident77Confident95 Ų9553.8 Ų53.851%0.50830%0.295SS..  trans-99.440.5-175.366.1-24.9000113.2R345 D349 H389R345-D347 WeakPolarHBondContact CD-OD1 3.45Å; R345-D347 WeakPolarHBondContact CG-OD1 3.5Å; D347-D349 PolarHBondContact O-N 3.21Å; D347-H389 PolarHBondContact O-CE1 2.88Å; D347-H389 PolarHBondContact O-NE2 3.39Å
348L92.1Very high79.3Confident38 Ų3851 Ų5120%0.19928%0.275CS..  trans-64.6127.9179-56.4-176.3000112.1R345 G346 E352 Q353 V356R345-L348 HydrophobicContact CB-CD2 4.37Å; R345-L348 HydrophobicContact CG-CD2 4.4Å; R345-L348 WeakPolarHBondContact O-CG 3.27Å; G346-L348 PolarHBondContact O-N 2.89Å; L348-E352 HydrophobicContact CB-CB 4.07Å; L348-E352 HydrophobicContact CD2-CB 4.27Å; L348-Q353 HydrophobicContact CB-CG 3.77Å; L348-Q353 PolarHBondContact O-NE2 2.86Å; L348-V356 HydrophobicContact CD1-CG2 4Å
349D93.3Very high81.4Confident1 Ų146.2 Ų46.21%0.00525%0.249CC..  trans-75.3180172.977.629.9000113.1D347 A351 E352 Q353 W387 H389D347-D349 PolarHBondContact O-N 3.21Å; D349-A351 PolarHBondContact O-N 3.4Å; D349-A351 PolarHBondContact OD1-N 3.43Å; D349-E352 PolarHBondContact N-OE2 2.75Å; D349-E352 PolarHBondContact O-N 3.02Å; D349-E352 WeakPolarHBondContact OD1-CG 3.44Å; D349-E352 PolarHBondContact OD1-N 2.87Å; D349-Q353 VanDerWaalsContact O-CB 3.31Å; D349-Q353 WeakPolarHBondContact O-CB 3.4Å; D349-Q353 WeakPolarHBondContact O-CG 3.49Å; D349-Q353 PolarHBondContact O-N 3.3Å; D349-W387 HydrophobicContact CB-CE3 3.66Å; D349-W387 HydrophobicContact CB-CZ3 3.55Å; D349-H389 VanDerWaalsContact CB-ND1 3.34Å; D349-H389 WeakPolarHBondContact CB-ND1 3.46Å; D349-H389 IonicContact OD2-CE1 3.09Å; D349-H389 IonicContact OD2-CG 3.94Å; D349-H389 PolarHBondContact OD2-N 3.37Å; D349-H389 IonicContact OD2-ND1 3.95Å; D349-H389 PolarHBondContact OD2-ND1 2.88Å
350F94.9Very high83.4Confident7 Ų744.3 Ų44.33%0.03124%0.24CC..Hα-helixtrans-58.4-44.1-177.3170.6-94.9000114.3Y306 L307 L310 L354 V375 I384 P386 W387 I400Y306-F350 HydrophobicContact CD1-CE2 4.29Å; Y306-F350 AromaticContact CE1-CD2 3.68Å; Y306-F350 HydrophobicContact CE1-CD2 3.68Å; Y306-F350 AromaticContact CE1-CE2 3.58Å; Y306-F350 HydrophobicContact CE1-CE2 3.58Å; Y306-F350 HydrophobicContact CE1-CZ 4.42Å; Y306-F350 AromaticContact CZ-CD2 3.78Å; Y306-F350 WeakPolarHBondContact OH-CA 3.27Å; Y306-F350 WeakPolarHBondContact OH-CD2 3.34Å; Y306-F350 PolarHBondContact OH-O 2.93Å; L307-F350 HydrophobicContact CD2-CE2 4.3Å; L307-F350 HydrophobicContact CD2-CZ 4.31Å; L310-F350 HydrophobicContact CD1-CD2 3.43Å; L310-F350 VanDerWaalsContact CD1-CD2 3.43Å; L310-F350 HydrophobicContact CD1-CE2 3.35Å; F350-L354 WeakPolarHBondContact O-CB 3.47Å; F350-L354 PolarHBondContact O-N 2.89Å; F350-V375 HydrophobicContact CE1-CG1 3.87Å; F350-V375 HydrophobicContact CZ-CG1 3.83Å; F350-V375 HydrophobicContact CZ-CG2 4.44Å; F350-I384 HydrophobicContact CE2-CD1 4.08Å; F350-I384 HydrophobicContact CZ-CD1 3.98Å; F350-P386 HydrophobicContact CB-CB 3.42Å; F350-P386 VanDerWaalsContact CB-CB 3.42Å; F350-P386 HydrophobicContact CB-CG 4.36Å; F350-P386 HydrophobicContact CD1-CB 3.87Å; F350-P386 HydrophobicContact CD1-CG 3.95Å; F350-P386 HydrophobicContact CD2-CB 3.43Å; F350-P386 VanDerWaalsContact CD2-CB 3.43Å; F350-P386 HydrophobicContact CD2-CG 4.13Å; F350-P386 HydrophobicContact CE1-CG 4.27Å; F350-P386 HydrophobicContact CE2-CB 4.14Å; F350-P386 HydrophobicContact CE2-CG 4.44Å; F350-P386 HydrophobicContact CG-CB 3.26Å; F350-P386 HydrophobicContact CG-CG 3.87Å; F350-W387 WeakPolarHBondContact CB-O 3.36Å; F350-W387 PolarHBondContact N-O 3.12Å; F350-W387 VanDerWaalsContact N-O 3.16Å; F350-I400 HydrophobicContact CD1-CD1 3.52Å; F350-I400 HydrophobicContact CE1-CD1 3.91Å
351A95.5Very high85.4Confident3 Ų342.5 Ų42.53%0.02523%0.231CC..Hα-helixtrans-70.8-39-176.600000110.1D349 L354 W355 L396 V425D349-A351 PolarHBondContact O-N 3.4Å; D349-A351 PolarHBondContact OD1-N 3.43Å; A351-L354 WeakPolarHBondContact O-CB 3.46Å; A351-L354 PolarHBondContact O-N 2.76Å; A351-W355 PolarHBondContact O-N 3.16Å; A351-L396 HydrophobicContact CB-CD2 4.39Å; A351-V425 HydrophobicContact CB-CG1 3.97Å; A351-V425 HydrophobicContact CB-CG2 4.47Å; A351-V425 WeakPolarHBondContact O-CG1 3.47Å
352E95.1Very high87.5Confident3 Ų339.7 Ų39.71%0.01421%0.208CC..Hα-helixtrans-65.5-42.4177.2-62.4173.2131.400111.6R345 L348 D349 L354 W355 V356 H389 K429 K432R345-E352 IonicContact CZ-OE1 2.85Å; R345-E352 IonicContact CZ-OE2 3.15Å; R345-E352 IonicContact NH1-OE1 3.53Å; R345-E352 PolarHBondContact NH1-OE1 3.09Å; R345-E352 IonicContact NH1-OE2 3.56Å; R345-E352 PolarHBondContact NH1-OE2 3.22Å; R345-E352 VanDerWaalsContact NH2-CD 3.33Å; R345-E352 IonicContact NH2-OE1 2.92Å; R345-E352 PolarHBondContact NH2-OE1 3.47Å; R345-E352 IonicContact NH2-OE2 3.36Å; L348-E352 HydrophobicContact CB-CB 4.07Å; L348-E352 HydrophobicContact CD2-CB 4.27Å; D349-E352 PolarHBondContact N-OE2 2.75Å; D349-E352 PolarHBondContact O-N 3.02Å; D349-E352 WeakPolarHBondContact OD1-CG 3.44Å; D349-E352 PolarHBondContact OD1-N 2.87Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.3Å; E352-W355 WeakPolarHBondContact O-CB 3.2Å; E352-W355 PolarHBondContact O-N 3.22Å; E352-V356 WeakPolarHBondContact O-CG2 3.22Å; E352-V356 PolarHBondContact O-N 2.92Å; E352-H389 IonicContact OE2-CE1 3.17Å; E352-H389 PolarHBondContact OE2-CE1 3.43Å; E352-H389 IonicContact OE2-ND1 2.86Å; E352-H389 PolarHBondContact OE2-ND1 3.01Å; E352-H389 VanDerWaalsContact OE2-ND1 3.15Å; E352-K429 HydrophobicContact CB-CB 4.35Å; E352-K429 HydrophobicContact CB-CG 3.9Å; E352-K429 HydrophobicContact CG-CB 3.93Å; E352-K429 HydrophobicContact CG-CG 3.93Å; E352-K432 WeakPolarHBondContact OE1-CD 3.35Å; E352-K432 IonicContact OE1-NZ 3.25Å
353Q93.9Very high89.3Confident62 Ų6235 Ų3529%0.2919%0.194SC..Hα-helixtrans-65.8-33.4173.8-80.8-165.149.800113.6Y306 L348 D349 R357Y306-Q353 HydrophobicContact CE1-CB 4.16Å; Y306-Q353 HydrophobicContact CE2-CB 4.29Å; Y306-Q353 VanDerWaalsContact OH-CB 3.22Å; Y306-Q353 WeakPolarHBondContact OH-CB 3.42Å; Y306-Q353 PolarHBondContact OH-OE1 3.02Å; L348-Q353 HydrophobicContact CB-CG 3.77Å; L348-Q353 PolarHBondContact O-NE2 2.86Å; D349-Q353 VanDerWaalsContact O-CB 3.31Å; D349-Q353 WeakPolarHBondContact O-CB 3.4Å; D349-Q353 WeakPolarHBondContact O-CG 3.49Å; D349-Q353 PolarHBondContact O-N 3.3Å; Q353-R357 WeakPolarHBondContact O-CG 3.37Å; Q353-R357 PolarHBondContact O-N 2.88Å; Q353-R357 PolarHBondContact O-NH1 3.13Å
354L95.6Very high90.7Very high2 Ų235.4 Ų35.41%0.0120%0.199CC..Hα-helixtrans-64.7-45.8172.5178.366.4000110.2T303 Y306 F350 A351 E352 R357 M358 V375 L396T303-L354 HydrophobicContact CG2-CD1 3.97Å; Y306-L354 HydrophobicContact CE1-CB 4.33Å; F350-L354 WeakPolarHBondContact O-CB 3.47Å; F350-L354 PolarHBondContact O-N 2.89Å; A351-L354 WeakPolarHBondContact O-CB 3.46Å; A351-L354 PolarHBondContact O-N 2.76Å; E352-L354 VanDerWaalsContact C-N 3.33Å; E352-L354 PolarHBondContact O-N 3.3Å; L354-R357 PolarHBondContact O-N 3.37Å; L354-M358 HydrophobicContact CD1-CG 4.02Å; L354-M358 HydrophobicContact CD1-SD 3.79Å; L354-M358 HydrophobicContact CD2-SD 4.23Å; L354-M358 HydrophobicContact CG-CG 4.28Å; L354-M358 HydrophobicContact CG-SD 3.75Å; L354-M358 WeakPolarHBondContact O-CB 3.48Å; L354-M358 WeakPolarHBondContact O-CG 3.45Å; L354-M358 PolarHBondContact O-N 3.03Å; L354-V375 HydrophobicContact CD1-CG2 4.07Å; L354-V375 HydrophobicContact CD2-CG2 3.97Å; L354-L396 HydrophobicContact CD2-CD2 3.66Å
355W95.8Very high91.8Very high0 Ų032.9 Ų32.90%018%0.184CC..Hα-helixtrans-58.2-49.2175.9162.8-96.8000112.6E272 F275 L276 L279 A351 E352 R357 M358 R359 L422 V425 G426E272-W355 VanDerWaalsContact CD-NE1 3.32Å; E272-W355 HydrophobicContact CG-CZ2 3.86Å; E272-W355 PolarHBondContact OE1-NE1 2.68Å; F275-W355 AromaticContact CD1-CH2 3.4Å; F275-W355 HydrophobicContact CD1-CH2 3.4Å; F275-W355 AromaticContact CD1-CZ2 3.98Å; F275-W355 HydrophobicContact CD1-CZ2 3.98Å; F275-W355 AromaticContact CD1-CZ3 3.84Å; F275-W355 HydrophobicContact CD1-CZ3 3.84Å; F275-W355 AromaticContact CE1-CH2 3.89Å; F275-W355 HydrophobicContact CE1-CH2 3.89Å; F275-W355 AromaticContact CE1-CZ3 3.83Å; F275-W355 HydrophobicContact CE1-CZ3 3.83Å; F275-W355 HydrophobicContact CG-CH2 4.49Å; L276-W355 HydrophobicContact CB-CH2 4.31Å; L276-W355 HydrophobicContact CD1-CH2 3.42Å; L276-W355 VanDerWaalsContact CD1-CH2 3.42Å; L276-W355 HydrophobicContact CD1-CZ2 3.98Å; L276-W355 HydrophobicContact CD1-CZ3 4.05Å; L276-W355 HydrophobicContact CG-CH2 4.5Å; L279-W355 HydrophobicContact CD1-CH2 4.24Å; L279-W355 HydrophobicContact CD1-CZ3 3.85Å; A351-W355 PolarHBondContact O-N 3.16Å; E352-W355 WeakPolarHBondContact O-CB 3.2Å; E352-W355 PolarHBondContact O-N 3.22Å; W355-R357 PolarHBondContact O-N 3.15Å; W355-M358 PolarHBondContact O-N 3.34Å; W355-R359 WeakPolarHBondContact O-CB 3.43Å; W355-R359 WeakPolarHBondContact O-CG 3.38Å; W355-R359 PolarHBondContact O-N 3.48Å; W355-L422 HydrophobicContact CE3-CD1 3.78Å; W355-L422 HydrophobicContact CE3-CG 4.07Å; W355-L422 HydrophobicContact CZ3-CD1 4.26Å; W355-L422 HydrophobicContact CZ3-CG 4.04Å; W355-V425 HydrophobicContact CB-CG1 3.79Å; W355-G426 VanDerWaalsContact CD2-CA 3.47Å; W355-G426 VanDerWaalsContact CE3-CA 3.5Å
356V93.3Very high92.2Very high33 Ų3337.5 Ų37.520%0.221%0.207CC..Hα-helixtrans-57.2-36.3179.2169.20000112.1L348 E352 K360L348-V356 HydrophobicContact CD1-CG2 4Å; E352-V356 WeakPolarHBondContact O-CG2 3.22Å; E352-V356 PolarHBondContact O-N 2.92Å; V356-K360 WeakPolarHBondContact O-CG 3.4Å
357R92.4Very high93Very high58 Ų5834.8 Ų34.822%0.21917%0.173CC..Hα-helixtrans-77.2-47.5177.2-71.1176.1174.784.9-11.8111.9L302 Y306 E309 Q353 L354 W355 R359 K360L302-R357 HydrophobicContact CB-CB 4.44Å; Y306-R357 VanDerWaalsContact CD2-NH2 3.29Å; E309-R357 IonicContact OE2-NH2 2.75Å; E309-R357 PolarHBondContact OE2-NH2 3.05Å; E309-R357 VanDerWaalsContact OE2-NH2 3.17Å; Q353-R357 WeakPolarHBondContact O-CG 3.37Å; Q353-R357 PolarHBondContact O-N 2.88Å; Q353-R357 PolarHBondContact O-NH1 3.13Å; L354-R357 PolarHBondContact O-N 3.37Å; W355-R357 PolarHBondContact O-N 3.15Å; R357-R359 PolarHBondContact O-N 3.12Å; R357-K360 PolarHBondContact O-N 3.13Å
358M94.1Very high93.4Very high0 Ų030.3 Ų30.30%015%0.149CC..Hα-helixtrans-63-43.6-177.4-73.2-175.566.800112L354 W355 K360 S361 V362 I368 C371 L422L354-M358 HydrophobicContact CD1-CG 4.02Å; L354-M358 HydrophobicContact CD1-SD 3.79Å; L354-M358 HydrophobicContact CD2-SD 4.23Å; L354-M358 HydrophobicContact CG-CG 4.28Å; L354-M358 HydrophobicContact CG-SD 3.75Å; L354-M358 WeakPolarHBondContact O-CB 3.48Å; L354-M358 WeakPolarHBondContact O-CG 3.45Å; L354-M358 PolarHBondContact O-N 3.03Å; W355-M358 PolarHBondContact O-N 3.34Å; M358-K360 PolarHBondContact O-N 2.82Å; M358-S361 PolarHBondContact O-N 3.17Å; M358-S361 VanDerWaalsContact O-N 3.11Å; M358-V362 HydrophobicContact CB-CG2 4.05Å; M358-V362 HydrophobicContact CE-CG2 4.1Å; M358-V362 WeakPolarHBondContact O-CB 3.47Å; M358-V362 VanDerWaalsContact O-CG2 3.23Å; M358-V362 WeakPolarHBondContact O-CG2 3.15Å; M358-V362 PolarHBondContact O-N 2.79Å; M358-I368 HydrophobicContact CE-CB 4.46Å; M358-I368 HydrophobicContact CE-CG2 4.26Å; M358-C371 HydrophobicContact CE-CB 3.43Å; M358-C371 VanDerWaalsContact CE-CB 3.43Å; M358-C371 HydrophobicContact CG-CB 4.45Å; M358-C371 HydrophobicContact SD-CB 3.81Å; M358-L422 HydrophobicContact CB-CD1 4.44Å; M358-L422 HydrophobicContact CE-CD1 4.02Å; M358-L422 HydrophobicContact CE-CD2 4.14Å; M358-L422 HydrophobicContact SD-CD1 4Å
359R93.2Very high93.6Very high33 Ų3329 Ų2913%0.12514%0.144CC..THydrogen-bonded Turntrans-60-21.7-176.574.6171.4-175.784-11.4114.6E272 F275 W355 R357E272-R359 IonicContact OE2-CZ 3.39Å; E272-R359 IonicContact OE2-NE 2.9Å; E272-R359 PolarHBondContact OE2-NE 2.92Å; E272-R359 IonicContact OE2-NH2 2.69Å; E272-R359 PolarHBondContact OE2-NH2 3.3Å; E272-R359 VanDerWaalsContact OE2-NH2 3.1Å; F275-R359 HydrophobicContact CD1-CB 3.5Å; F275-R359 HydrophobicContact CE1-CB 3.67Å; F275-R359 HydrophobicContact CG-CB 4.22Å; F275-R359 HydrophobicContact CZ-CB 4.48Å; W355-R359 WeakPolarHBondContact O-CB 3.43Å; W355-R359 WeakPolarHBondContact O-CG 3.38Å; W355-R359 PolarHBondContact O-N 3.48Å; R357-R359 PolarHBondContact O-N 3.12Å
360K89.8Confident93.8Very high63 Ų6331.8 Ų31.827%0.27416%0.159SC..THydrogen-bonded Turntrans-80-18.7-178.3-66.8-176.3-178.2-1750113.7P293 V294 E295 V356 R357 M358P293-K360 CarbonylContact C-O 3.52Å; P293-K360 WeakPolarHBondContact CA-O 3.48Å; V294-K360 HydrophobicContact CB-CB 4.41Å; V294-K360 PolarHBondContact N-O 2.98Å; E295-K360 HydrophobicContact CG-CB 4.28Å; E295-K360 HydrophobicContact CG-CD 4.12Å; E295-K360 PolarHBondContact N-O 3.08Å; E295-K360 WeakPolarHBondContact OE1-CD 3.32Å; E295-K360 IonicContact OE1-NZ 2.91Å; E295-K360 PolarHBondContact OE1-NZ 2.91Å; V356-K360 WeakPolarHBondContact O-CG 3.4Å; R357-K360 PolarHBondContact O-N 3.13Å; M358-K360 PolarHBondContact O-N 2.82Å
361S91.7Very high93.8Very high5 Ų531.4 Ų31.44%0.03516%0.158CC..THydrogen-bonded Turntrans-140.3-5.8-168.8-57.40000115.3T297 L302 M358 S363T297-S361 WeakPolarHBondContact O-CB 3.35Å; T297-S361 PolarHBondContact O-OG 2.83Å; L302-S361 VanDerWaalsContact CD1-OG 3.28Å; L302-S361 WeakPolarHBondContact CD1-OG 3.36Å; M358-S361 PolarHBondContact O-N 3.17Å; M358-S361 VanDerWaalsContact O-N 3.11Å; S361-S363 PolarHBondContact O-N 3.37Å
362V93.6Very high93.9Very high3 Ų331.4 Ų31.42%0.01816%0.158CC..  trans-66.5124.2175.31640000109F275 W290 A299 M358 D367 I368F275-V362 HydrophobicContact CE2-CB 4.45Å; F275-V362 HydrophobicContact CE2-CG1 4.4Å; F275-V362 HydrophobicContact CZ-CB 3.99Å; F275-V362 HydrophobicContact CZ-CG1 4.03Å; W290-V362 HydrophobicContact CE3-CG1 3.95Å; W290-V362 HydrophobicContact CH2-CG1 4.27Å; W290-V362 HydrophobicContact CZ3-CG1 3.53Å; A299-V362 HydrophobicContact CB-CG2 3.72Å; M358-V362 HydrophobicContact CB-CG2 4.05Å; M358-V362 HydrophobicContact CE-CG2 4.1Å; M358-V362 WeakPolarHBondContact O-CB 3.47Å; M358-V362 VanDerWaalsContact O-CG2 3.23Å; M358-V362 WeakPolarHBondContact O-CG2 3.15Å; M358-V362 PolarHBondContact O-N 2.79Å; V362-D367 HydrophobicContact CG1-CB 4.48Å; V362-D367 HydrophobicContact CG2-CB 4.31Å; V362-I368 HydrophobicContact CG1-CD1 3.97Å; V362-I368 HydrophobicContact CG1-CG1 3.6Å; V362-I368 HydrophobicContact CG2-CG1 4.18Å
363S91.7Very high93.9Very high58 Ų5836.3 Ų36.341%0.40618%0.179SC..  trans-129.20.3-178.464.70000112.9S361 D367S361-S363 PolarHBondContact O-N 3.37Å; S363-D367 PolarHBondContact N-OD2 2.87Å; S363-D367 PolarHBondContact OG-OD2 3.08Å
364S91.9Very high94Very high35 Ų3535.5 Ų35.525%0.24518%0.176CC..SBendtrans-157.6160.1-178.769.20000112W290 Q366 D367W290-S364 VanDerWaalsContact CZ2-C 3.45Å; S364-Q366 PolarHBondContact O-N 2.76Å; S364-D367 PolarHBondContact N-OD2 3.19Å; S364-D367 VanDerWaalsContact N-OD2 3.15Å; S364-D367 WeakPolarHBondContact O-CB 3.36Å; S364-D367 PolarHBondContact O-N 2.97Å; S364-D367 PolarHBondContact OG-N 3.36Å; S364-D367 VanDerWaalsContact OG-N 3.15Å; S364-D367 PolarHBondContact OG-OD2 2.97Å
365Y91.8Very high94Very high89 Ų8935.4 Ų35.435%0.34918%0.175SC..Hα-helixtrans-60.5-31.9171.2-67.2-68.7000112.7G286 T288 W290 I368 G369 V419G286-Y365 PolarHBondContact O-OH 3.32Å; T288-Y365 VanDerWaalsContact OG1-CZ 3.32Å; T288-Y365 PolarHBondContact OG1-OH 2.98Å; W290-Y365 AromaticContact CH2-CD1 3.98Å; W290-Y365 HydrophobicContact CH2-CD1 3.98Å; W290-Y365 HydrophobicContact CH2-CE1 4.21Å; W290-Y365 HydrophobicContact CH2-CG 4.37Å; W290-Y365 AromaticContact CZ2-CD1 3.71Å; W290-Y365 HydrophobicContact CZ2-CD1 3.71Å; W290-Y365 AromaticContact CZ2-CD2 3.89Å; W290-Y365 HydrophobicContact CZ2-CD2 3.89Å; W290-Y365 AromaticContact CZ2-CE1 3.92Å; W290-Y365 HydrophobicContact CZ2-CE1 3.92Å; W290-Y365 HydrophobicContact CZ2-CE2 4.1Å; W290-Y365 AromaticContact CZ2-CG 3.74Å; W290-Y365 HydrophobicContact CZ2-CG 3.74Å; W290-Y365 VanDerWaalsContact CZ2-N 3.31Å; Y365-I368 PolarHBondContact O-N 2.76Å; Y365-G369 PolarHBondContact O-N 2.68Å; Y365-G369 VanDerWaalsContact O-N 3.15Å; Y365-V419 HydrophobicContact CD1-CG2 3.4Å; Y365-V419 HydrophobicContact CE1-CG2 3.6Å
366Q92.6Very high93.9Very high119 Ų11935.8 Ų35.856%0.55618%0.178SC*.Hα-helixtrans-67.4-39.4179.3-171.860.446.600111.3S364 I368 G369 D370S364-Q366 PolarHBondContact O-N 2.76Å; Q366-I368 VanDerWaalsContact C-N 3.27Å; Q366-I368 PolarHBondContact O-N 3.48Å; Q366-G369 PolarHBondContact O-N 3.06Å; Q366-D370 PolarHBondContact NE2-OD1 3.44Å; Q366-D370 PolarHBondContact NE2-OD2 2.88Å; Q366-D370 WeakPolarHBondContact O-CB 3.44Å; Q366-D370 PolarHBondContact O-N 2.76Å
367D94.4Very high93.9Very high24 Ų2437.7 Ų37.713%0.12818%0.184CC..Hα-helixtrans-55.9-45175.6-68.3-35.9000111A299 V362 S363 S364 D370 C371A299-D367 HydrophobicContact CB-CB 4.37Å; V362-D367 HydrophobicContact CG1-CB 4.48Å; V362-D367 HydrophobicContact CG2-CB 4.31Å; S363-D367 PolarHBondContact N-OD2 2.87Å; S363-D367 PolarHBondContact OG-OD2 3.08Å; S364-D367 PolarHBondContact N-OD2 3.19Å; S364-D367 VanDerWaalsContact N-OD2 3.15Å; S364-D367 WeakPolarHBondContact O-CB 3.36Å; S364-D367 PolarHBondContact O-N 2.97Å; S364-D367 PolarHBondContact OG-N 3.36Å; S364-D367 VanDerWaalsContact OG-N 3.15Å; S364-D367 PolarHBondContact OG-OD2 2.97Å; D367-D370 PolarHBondContact O-N 3.43Å; D367-C371 WeakPolarHBondContact O-CB 3.32Å; D367-C371 PolarHBondContact O-N 3.23Å; D367-C371 PolarHBondContact O-SG 2.95Å
368I95.6Very high93.9Very high0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-63.2-48.2178.9-55.9174.9000110.3L279 W290 M358 V362 Y365 Q366 D370 C371 L372 P418 V419 L422L279-I368 HydrophobicContact CD2-CD1 3.92Å; W290-I368 HydrophobicContact CH2-CD1 3.74Å; W290-I368 HydrophobicContact CZ3-CD1 4.09Å; M358-I368 HydrophobicContact CE-CB 4.46Å; M358-I368 HydrophobicContact CE-CG2 4.26Å; V362-I368 HydrophobicContact CG1-CD1 3.97Å; V362-I368 HydrophobicContact CG1-CG1 3.6Å; V362-I368 HydrophobicContact CG2-CG1 4.18Å; Y365-I368 PolarHBondContact O-N 2.76Å; Q366-I368 VanDerWaalsContact C-N 3.27Å; Q366-I368 PolarHBondContact O-N 3.48Å; I368-D370 PolarHBondContact O-N 2.83Å; I368-C371 PolarHBondContact O-N 2.81Å; I368-L372 HydrophobicContact CG2-CD1 3.92Å; I368-L372 HydrophobicContact CG2-CG 4.43Å; I368-L372 WeakPolarHBondContact O-CB 3.48Å; I368-L372 WeakPolarHBondContact O-CG 3.2Å; I368-L372 PolarHBondContact O-N 2.99Å; I368-P418 HydrophobicContact CG2-CB 3.88Å; I368-P418 WeakPolarHBondContact CG2-O 3.45Å; I368-V419 HydrophobicContact CD1-CG2 4.26Å; I368-L422 HydrophobicContact CD1-CD2 3.73Å; I368-L422 HydrophobicContact CG1-CD2 3.8Å; I368-L422 HydrophobicContact CG2-CB 4Å; I368-L422 HydrophobicContact CG2-CD2 3.97Å
369G95.7Very high93.8Very high10 Ų1035.6 Ų35.610%0.10318%0.179CC..Hα-helixtrans-58.7-46.3178.700000112.6Y365 Q366 K373Y365-G369 PolarHBondContact O-N 2.68Å; Y365-G369 VanDerWaalsContact O-N 3.15Å; Q366-G369 PolarHBondContact O-N 3.06Å; G369-K373 VanDerWaalsContact O-CB 3.29Å; G369-K373 WeakPolarHBondContact O-CB 3.28Å; G369-K373 PolarHBondContact O-N 2.84Å
370D96.3Very high93.6Very high60 Ų6039.2 Ų39.232%0.32119%0.193SC..Hα-helixtrans-68.4-41.1-179.4-72.4-22.7000112.2V300 Q366 D367 I368 K373 L374V300-D370 HydrophobicContact CG2-CB 3.82Å; Q366-D370 PolarHBondContact NE2-OD1 3.44Å; Q366-D370 PolarHBondContact NE2-OD2 2.88Å; Q366-D370 WeakPolarHBondContact O-CB 3.44Å; Q366-D370 PolarHBondContact O-N 2.76Å; D367-D370 PolarHBondContact O-N 3.43Å; I368-D370 PolarHBondContact O-N 2.83Å; D370-K373 PolarHBondContact O-N 2.72Å; D370-L374 WeakPolarHBondContact O-CG 3.44Å; D370-L374 PolarHBondContact O-N 3Å; D370-L374 VanDerWaalsContact O-N 3.1Å
371C96.9Very high93.6Very high0 Ų044.3 Ų44.30%021%0.211CC..Hα-helixtrans-62.1-48.4175.2-67.20000111.5A299 V300 T303 M358 D367 I368 K373 L374 V375A299-C371 PolarHBondContact O-SG 2.82Å; V300-C371 VanDerWaalsContact CA-SG 3.6Å; V300-C371 PolarHBondContact N-SG 2.87Å; T303-C371 HydrophobicContact CG2-CB 4.31Å; T303-C371 PolarHBondContact OG1-SG 2.95Å; T303-C371 VanDerWaalsContact OG1-SG 3.35Å; M358-C371 HydrophobicContact CE-CB 3.43Å; M358-C371 VanDerWaalsContact CE-CB 3.43Å; M358-C371 HydrophobicContact CG-CB 4.45Å; M358-C371 HydrophobicContact SD-CB 3.81Å; D367-C371 WeakPolarHBondContact O-CB 3.32Å; D367-C371 PolarHBondContact O-N 3.23Å; D367-C371 PolarHBondContact O-SG 2.95Å; I368-C371 PolarHBondContact O-N 2.81Å; C371-K373 VanDerWaalsContact C-N 3.31Å; C371-K373 PolarHBondContact O-N 2.97Å; C371-L374 PolarHBondContact O-N 2.74Å; C371-V375 WeakPolarHBondContact O-CG2 3.47Å; C371-V375 PolarHBondContact O-N 2.9Å; C371-V375 VanDerWaalsContact O-N 3.13Å
372L96.8Very high93.3Very high3 Ų346.2 Ų46.22%0.01623%0.231CC..Hα-helixtrans-65.1-35.8178.9-72176.3000112I368 V375 I376 L413 P418 M421I368-L372 HydrophobicContact CG2-CD1 3.92Å; I368-L372 HydrophobicContact CG2-CG 4.43Å; I368-L372 WeakPolarHBondContact O-CB 3.48Å; I368-L372 WeakPolarHBondContact O-CG 3.2Å; I368-L372 PolarHBondContact O-N 2.99Å; L372-V375 PolarHBondContact O-N 3.37Å; L372-I376 WeakPolarHBondContact O-CB 3.4Å; L372-I376 VanDerWaalsContact O-CG1 3.27Å; L372-I376 WeakPolarHBondContact O-CG1 3.25Å; L372-I376 PolarHBondContact O-N 3.34Å; L372-L413 HydrophobicContact CB-CD1 4.14Å; L372-L413 HydrophobicContact CB-CD2 4.17Å; L372-L413 HydrophobicContact CD1-CD2 4.38Å; L372-P418 HydrophobicContact CD1-CB 3.96Å; L372-P418 WeakPolarHBondContact CD1-O 3.41Å; L372-M421 HydrophobicContact CD1-CB 3.93Å; L372-M421 HydrophobicContact CD1-SD 4.28Å
373K95.5Very high92.9Very high106 Ų10649.9 Ų49.946%0.46125%0.251SS..Hα-helixtrans-60.1-47.1175-175.9177.6175.7-176.90111.4G369 D370 C371 V375 I376 E377 L413G369-K373 VanDerWaalsContact O-CB 3.29Å; G369-K373 WeakPolarHBondContact O-CB 3.28Å; G369-K373 PolarHBondContact O-N 2.84Å; D370-K373 PolarHBondContact O-N 2.72Å; C371-K373 VanDerWaalsContact C-N 3.31Å; C371-K373 PolarHBondContact O-N 2.97Å; K373-V375 VanDerWaalsContact C-N 3.33Å; K373-V375 PolarHBondContact O-N 3.36Å; K373-I376 PolarHBondContact O-N 2.94Å; K373-E377 WeakPolarHBondContact CE-OE1 3.45Å; K373-E377 HydrophobicContact CG-CG 4.48Å; K373-E377 WeakPolarHBondContact O-CB 3.5Å; K373-E377 WeakPolarHBondContact O-CG 3.41Å; K373-E377 PolarHBondContact O-N 2.72Å; K373-L413 HydrophobicContact CB-CD1 3.77Å
374L95.7Very high92.8Very high44 Ų4447.7 Ų47.723%0.2324%0.235CC..Hα-helixtrans-59-44.5176.7-70.4171.7000111.9V300 K304 L307 D370 C371 A378V300-L374 HydrophobicContact CG1-CD1 3.73Å; K304-L374 HydrophobicContact CD-CD1 4.42Å; K304-L374 HydrophobicContact CG-CD1 3.73Å; L307-L374 HydrophobicContact CD1-CB 4.09Å; D370-L374 WeakPolarHBondContact O-CG 3.44Å; D370-L374 PolarHBondContact O-N 3Å; D370-L374 VanDerWaalsContact O-N 3.1Å; C371-L374 PolarHBondContact O-N 2.74Å; L374-A378 WeakPolarHBondContact O-CB 3.46Å; L374-A378 PolarHBondContact O-N 3.06Å
375V95.8Very high92.6Very high0 Ų053.6 Ų53.60%026%0.256CS..Hα-helixtrans-64.5-46.9178.8172.90000111.2T303 L307 F350 L354 C371 L372 K373 E377 A378 L379 L396T303-V375 HydrophobicContact CG2-CG2 3.85Å; L307-V375 HydrophobicContact CD1-CG2 4.46Å; L307-V375 HydrophobicContact CD2-CG2 4.42Å; F350-V375 HydrophobicContact CE1-CG1 3.87Å; F350-V375 HydrophobicContact CZ-CG1 3.83Å; F350-V375 HydrophobicContact CZ-CG2 4.44Å; L354-V375 HydrophobicContact CD1-CG2 4.07Å; L354-V375 HydrophobicContact CD2-CG2 3.97Å; C371-V375 WeakPolarHBondContact O-CG2 3.47Å; C371-V375 PolarHBondContact O-N 2.9Å; C371-V375 VanDerWaalsContact O-N 3.13Å; L372-V375 PolarHBondContact O-N 3.37Å; K373-V375 VanDerWaalsContact C-N 3.33Å; K373-V375 PolarHBondContact O-N 3.36Å; V375-E377 PolarHBondContact O-N 3.11Å; V375-A378 PolarHBondContact O-N 2.93Å; V375-L379 HydrophobicContact CG1-CD1 3.99Å; V375-L379 VanDerWaalsContact O-CG 3.3Å; V375-L379 WeakPolarHBondContact O-CG 3.41Å; V375-L379 PolarHBondContact O-N 2.94Å; V375-L396 HydrophobicContact CG1-CD1 4.06Å
376I93.6Very high92.5Very high9 Ų949.7 Ų49.75%0.04624%0.242CC..Hα-helixtrans-65.5-39.3-179.6-69.3168.8000111.2L372 K373 L379 R380 L399 V411 L413 M421L372-I376 WeakPolarHBondContact O-CB 3.4Å; L372-I376 VanDerWaalsContact O-CG1 3.27Å; L372-I376 WeakPolarHBondContact O-CG1 3.25Å; L372-I376 PolarHBondContact O-N 3.34Å; K373-I376 PolarHBondContact O-N 2.94Å; I376-L379 PolarHBondContact O-N 2.76Å; I376-R380 VanDerWaalsContact O-CB 3.23Å; I376-R380 WeakPolarHBondContact O-CB 3.45Å; I376-R380 PolarHBondContact O-N 2.87Å; I376-L399 HydrophobicContact CD1-CD1 4.14Å; I376-L399 HydrophobicContact CG1-CD1 4.21Å; I376-V411 HydrophobicContact CD1-CB 4.35Å; I376-V411 HydrophobicContact CD1-CG1 4.49Å; I376-L413 HydrophobicContact CD1-CD1 4.2Å; I376-L413 HydrophobicContact CD1-CD2 4.01Å; I376-L413 HydrophobicContact CD1-CG 4.35Å; I376-M421 HydrophobicContact CD1-CE 4.42Å
377E93.1Very high92.5Very high72 Ų7251.5 Ų51.534%0.33624%0.243SC..Hα-helixtrans-63.6-47.1174.6-75.4177.4-18000111.2K373 V375 L379 R380 Y381K373-E377 WeakPolarHBondContact CE-OE1 3.45Å; K373-E377 HydrophobicContact CG-CG 4.48Å; K373-E377 WeakPolarHBondContact O-CB 3.5Å; K373-E377 WeakPolarHBondContact O-CG 3.41Å; K373-E377 PolarHBondContact O-N 2.72Å; V375-E377 PolarHBondContact O-N 3.11Å; E377-L379 VanDerWaalsContact C-N 3.3Å; E377-L379 PolarHBondContact O-N 2.89Å; E377-R380 PolarHBondContact O-N 2.51Å; E377-R380 VanDerWaalsContact O-N 3.13Å; E377-Y381 HydrophobicContact CB-CD2 4.35Å; E377-Y381 HydrophobicContact CB-CE2 4.22Å; E377-Y381 HydrophobicContact CG-CE2 4.48Å; E377-Y381 WeakPolarHBondContact O-CD2 3.2Å; E377-Y381 PolarHBondContact O-N 3.02Å
378A92.5Very high92.4Very high10 Ų1050.9 Ų50.98%0.08324%0.24CC..Hα-helixtrans-59.8-39177.200000112.5L307 L374 V375 G382 D383 I384L307-A378 HydrophobicContact CD1-CB 4.29Å; L307-A378 HydrophobicContact CD2-CB 4.3Å; L374-A378 WeakPolarHBondContact O-CB 3.46Å; L374-A378 PolarHBondContact O-N 3.06Å; V375-A378 PolarHBondContact O-N 2.93Å; A378-G382 PolarHBondContact O-N 2.8Å; A378-D383 HydrophobicContact CB-CB 4.42Å; A378-D383 PolarHBondContact O-N 3.32Å; A378-I384 HydrophobicContact CB-CD1 4.13Å; A378-I384 HydrophobicContact CB-CG1 4.06Å
379L92.1Very high92.1Very high4 Ų452.2 Ų52.22%0.02125%0.246CC..Hα-helixtrans-67.4-44.3173.6-69.3168.3000111.7V375 I376 E377 Y381 G382 I384 P386 I400 I408V375-L379 HydrophobicContact CG1-CD1 3.99Å; V375-L379 VanDerWaalsContact O-CG 3.3Å; V375-L379 WeakPolarHBondContact O-CG 3.41Å; V375-L379 PolarHBondContact O-N 2.94Å; I376-L379 PolarHBondContact O-N 2.76Å; E377-L379 VanDerWaalsContact C-N 3.3Å; E377-L379 PolarHBondContact O-N 2.89Å; L379-Y381 PolarHBondContact O-N 3.16Å; L379-G382 PolarHBondContact O-N 2.92Å; L379-G382 VanDerWaalsContact O-N 3.08Å; L379-I384 HydrophobicContact CD2-CD1 3.88Å; L379-I384 HydrophobicContact CD2-CG1 3.88Å; L379-I384 HydrophobicContact CG-CD1 4.12Å; L379-I384 HydrophobicContact CG-CG1 4.32Å; L379-P386 HydrophobicContact CD2-CG 3.81Å; L379-I400 HydrophobicContact CD1-CG1 3.71Å; L379-I400 HydrophobicContact CD2-CG1 4.1Å; L379-I408 VanDerWaalsContact C-CD1 3.42Å; L379-I408 HydrophobicContact CB-CD1 3.58Å
380R89.8Confident91.6Very high110 Ų11064.2 Ų64.242%0.41529%0.288SS..Hα-helixtrans-64.4-40.6-176.6-178.5179.8-68.6167.20.5112.5I376 E377 G382 I408I376-R380 VanDerWaalsContact O-CB 3.23Å; I376-R380 WeakPolarHBondContact O-CB 3.45Å; I376-R380 PolarHBondContact O-N 2.87Å; E377-R380 PolarHBondContact O-N 2.51Å; E377-R380 VanDerWaalsContact O-N 3.13Å; R380-G382 PolarHBondContact O-N 3.24Å; R380-I408 HydrophobicContact CB-CD1 4.19Å
381Y89Confident90.9Very high169 Ų16966.6 Ų66.666%0.66330%0.301SS*.THydrogen-bonded Turntrans-81.4-3.7176.2-63.2-61.2000113E377 L379 D383E377-Y381 HydrophobicContact CB-CD2 4.35Å; E377-Y381 HydrophobicContact CB-CE2 4.22Å; E377-Y381 HydrophobicContact CG-CE2 4.48Å; E377-Y381 WeakPolarHBondContact O-CD2 3.2Å; E377-Y381 PolarHBondContact O-N 3.02Å; L379-Y381 PolarHBondContact O-N 3.16Å; Y381-D383 PolarHBondContact O-N 3.35Å
382G84.5Confident90.3Very high45 Ų4567.3 Ų67.346%0.46431%0.306SS..THydrogen-bonded Turntrans69.222.5-179.800000113.5A378 L379 R380 I384A378-G382 PolarHBondContact O-N 2.8Å; L379-G382 PolarHBondContact O-N 2.92Å; L379-G382 VanDerWaalsContact O-N 3.08Å; R380-G382 PolarHBondContact O-N 3.24Å; G382-I384 PolarHBondContact O-N 3.41Å
383D86.3Confident89.8Confident80 Ų8069.7 Ų69.743%0.42832%0.323SS..SBendtrans-66.3-27.1178.6-73.7-41.6000112A378 Y381A378-D383 HydrophobicContact CB-CB 4.42Å; A378-D383 PolarHBondContact O-N 3.32Å; Y381-D383 PolarHBondContact O-N 3.35Å
384I89.2Confident89.7Confident12 Ų1264.8 Ų64.86%0.06230%0.302CS..  trans-130.3151.1177.562.3167.8000110.9L307 L310 F350 A378 L379 G382 P386L307-I384 HydrophobicContact CD2-CD1 3.71Å; L310-I384 HydrophobicContact CB-CG2 4.38Å; F350-I384 HydrophobicContact CE2-CD1 4.08Å; F350-I384 HydrophobicContact CZ-CD1 3.98Å; A378-I384 HydrophobicContact CB-CD1 4.13Å; A378-I384 HydrophobicContact CB-CG1 4.06Å; L379-I384 HydrophobicContact CD2-CD1 3.88Å; L379-I384 HydrophobicContact CD2-CG1 3.88Å; L379-I384 HydrophobicContact CG-CD1 4.12Å; L379-I384 HydrophobicContact CG-CG1 4.32Å; G382-I384 PolarHBondContact O-N 3.41Å; I384-P386 HydrophobicContact CD1-CG 4.11Å
385K87.6Confident89.6Confident159 Ų15964.6 Ų64.669%0.69131%0.305SS*.  trans-131.570.9168.6-68-173.6-179.1-176.90109
386P90.4Very high89.5Confident8 Ų864.6 Ų64.65%0.05231%0.305CS..  trans-67.2154.2-173.625.9-31.3000111.1F350 L379 I384 I400 Y404F350-P386 HydrophobicContact CB-CB 3.42Å; F350-P386 VanDerWaalsContact CB-CB 3.42Å; F350-P386 HydrophobicContact CB-CG 4.36Å; F350-P386 HydrophobicContact CD1-CB 3.87Å; F350-P386 HydrophobicContact CD1-CG 3.95Å; F350-P386 HydrophobicContact CD2-CB 3.43Å; F350-P386 VanDerWaalsContact CD2-CB 3.43Å; F350-P386 HydrophobicContact CD2-CG 4.13Å; F350-P386 HydrophobicContact CE1-CG 4.27Å; F350-P386 HydrophobicContact CE2-CB 4.14Å; F350-P386 HydrophobicContact CE2-CG 4.44Å; F350-P386 HydrophobicContact CG-CB 3.26Å; F350-P386 HydrophobicContact CG-CG 3.87Å; L379-P386 HydrophobicContact CD2-CG 3.81Å; I384-P386 HydrophobicContact CD1-CG 4.11Å; P386-I400 HydrophobicContact CG-CD1 4.47Å; P386-I400 HydrophobicContact CG-CG1 4.35Å; P386-I400 HydrophobicContact CG-CG2 3.91Å; P386-Y404 PolarHBondContact O-OH 2.89Å
387W91.1Very high89.5Confident156 Ų15664.2 Ų64.259%0.59130%0.303SS*.  trans-90.9145.3171.717484.1000110.9D349 F350 H389D349-W387 HydrophobicContact CB-CE3 3.66Å; D349-W387 HydrophobicContact CB-CZ3 3.55Å; F350-W387 WeakPolarHBondContact CB-O 3.36Å; F350-W387 PolarHBondContact N-O 3.12Å; F350-W387 VanDerWaalsContact N-O 3.16Å; W387-H389 AromaticContact CH2-CD2 3.51Å; W387-H389 AromaticContact CH2-CE1 3.73Å; W387-H389 AromaticContact CH2-CG 4Å; W387-H389 AromaticContact CH2-NE2 3.33Å; W387-H389 VanDerWaalsContact CH2-NE2 3.33Å; W387-H389 WeakPolarHBondContact CH2-NE2 3.43Å; W387-H389 AromaticContact CZ3-CE1 3.78Å; W387-H389 AromaticContact CZ3-NE2 3.85Å
388I92.8Very high89.4Confident12 Ų1266.5 Ų66.56%0.06231%0.312CS..  trans-134.6153176.661.4167000111.3I400 L401I388-I400 HydrophobicContact CD1-CB 4.41Å; I388-I400 HydrophobicContact CD1-CG2 4.29Å; I388-I400 HydrophobicContact CG1-CG2 4.43Å; I388-I400 HydrophobicContact CG2-CB 4.38Å; I388-I400 HydrophobicContact CG2-CD1 3.7Å; I388-I400 HydrophobicContact CG2-CG2 3.92Å; I388-L401 HydrophobicContact CD1-CD1 4.26Å; I388-L401 HydrophobicContact CD1-CD2 3.77Å; I388-L401 HydrophobicContact CD1-CG 3.68Å; I388-L401 HydrophobicContact CG1-CD2 4.33Å
389H90.6Very high89.4Confident28 Ų2866.6 Ų66.613%0.1331%0.31CS..  trans-65.7148.4171.3-67.298.7000111.9D347 D349 E352 W387 D391 S392D347-H389 PolarHBondContact O-CE1 2.88Å; D347-H389 PolarHBondContact O-NE2 3.39Å; D349-H389 VanDerWaalsContact CB-ND1 3.34Å; D349-H389 WeakPolarHBondContact CB-ND1 3.46Å; D349-H389 IonicContact OD2-CE1 3.09Å; D349-H389 IonicContact OD2-CG 3.94Å; D349-H389 PolarHBondContact OD2-N 3.37Å; D349-H389 IonicContact OD2-ND1 3.95Å; D349-H389 PolarHBondContact OD2-ND1 2.88Å; E352-H389 IonicContact OE2-CE1 3.17Å; E352-H389 PolarHBondContact OE2-CE1 3.43Å; E352-H389 IonicContact OE2-ND1 2.86Å; E352-H389 PolarHBondContact OE2-ND1 3.01Å; E352-H389 VanDerWaalsContact OE2-ND1 3.15Å; W387-H389 AromaticContact CH2-CD2 3.51Å; W387-H389 AromaticContact CH2-CE1 3.73Å; W387-H389 AromaticContact CH2-CG 4Å; W387-H389 AromaticContact CH2-NE2 3.33Å; W387-H389 VanDerWaalsContact CH2-NE2 3.33Å; W387-H389 WeakPolarHBondContact CH2-NE2 3.43Å; W387-H389 AromaticContact CZ3-CE1 3.78Å; W387-H389 AromaticContact CZ3-NE2 3.85Å; H389-D391 VanDerWaalsContact C-N 3.3Å; H389-D391 WeakPolarHBondContact CB-OD1 3.38Å; H389-D391 PolarHBondContact O-N 2.77Å; H389-S392 PolarHBondContact O-N 2.93Å; H389-S392 PolarHBondContact O-OG 2.95Å
390R83.4Confident89.4Confident261 Ų26166.4 Ų66.499%0.98531%0.309SS*.THydrogen-bonded Turntrans-70-24.7-174.1-70.1-175.2178.6179.10.8114.2
391D82.6Confident89.5Confident110 Ų11065.1 Ų65.159%0.58831%0.311SS*.THydrogen-bonded Turntrans-95.7-1.5-17662.2-22.5000113.1H389 S393 K432H389-D391 VanDerWaalsContact C-N 3.3Å; H389-D391 WeakPolarHBondContact CB-OD1 3.38Å; H389-D391 PolarHBondContact O-N 2.77Å; D391-S393 PolarHBondContact O-N 3.38Å; D391-K432 WeakPolarHBondContact OD1-CE 3.32Å; D391-K432 IonicContact OD1-NZ 3.44Å
392S84.8Confident89.5Confident16 Ų1659.8 Ų59.811%0.11229%0.292CS..  trans-67126.4176.9-60.40000111H389 S397 K432H389-S392 PolarHBondContact O-N 2.93Å; H389-S392 PolarHBondContact O-OG 2.95Å; S392-S397 WeakPolarHBondContact CB-OG 3.32Å; S392-K432 PolarHBondContact OG-NZ 3.18Å
393S85.3Confident89.8Confident52 Ų5258.2 Ų58.236%0.36427%0.274SS..  trans-113.9-5.2-172.4710000113.5D391 K398 D428D391-S393 PolarHBondContact O-N 3.38Å; S393-K398 VanDerWaalsContact O-CE 3.28Å; S393-K398 WeakPolarHBondContact O-CE 3.38Å; S393-K398 PolarHBondContact O-NZ 2.81Å; S393-D428 PolarHBondContact N-OD2 2.72Å
394S92.8Very high89.9Confident3 Ų358.7 Ų58.72%0.02127%0.27CS..SBendtrans-57.2152.7178.871.10000113.6L396 S397 K398 D428S394-L396 PolarHBondContact O-N 3.4Å; S394-S397 WeakPolarHBondContact O-CB 3.23Å; S394-S397 PolarHBondContact O-N 3.15Å; S394-S397 VanDerWaalsContact O-N 3.08Å; S394-S397 WeakPolarHBondContact OG-CB 3.36Å; S394-S397 PolarHBondContact OG-N 2.88Å; S394-S397 PolarHBondContact OG-OG 3.43Å; S394-K398 PolarHBondContact O-N 3.38Å; S394-K398 VanDerWaalsContact O-N 3.12Å; S394-D428 PolarHBondContact N-OD2 3.13Å
395S93.6Very high89.8Confident41 Ų4165 Ų6529%0.28730%0.299SS..Hα-helixtrans-57.7-39.1177.7-60.50000111.7K398 L399 E424S395-K398 PolarHBondContact O-N 3.46Å; S395-L399 WeakPolarHBondContact O-CG 3.35Å; S395-L399 PolarHBondContact O-N 3.28Å; S395-E424 WeakPolarHBondContact CB-OE2 2.95Å; S395-E424 PolarHBondContact N-OE2 3.4Å; S395-E424 PolarHBondContact OG-OE1 3.37Å; S395-E424 PolarHBondContact OG-OE2 3.01Å
396L94.6Very high89.4Confident0 Ų065.8 Ų65.80%031%0.305CS..Hα-helixtrans-64.2-41.3175.5-177.960.6000112.1A351 L354 V375 S394 K398 L399 I400 M421 V425A351-L396 HydrophobicContact CB-CD2 4.39Å; L354-L396 HydrophobicContact CD2-CD2 3.66Å; V375-L396 HydrophobicContact CG1-CD1 4.06Å; S394-L396 PolarHBondContact O-N 3.4Å; L396-K398 VanDerWaalsContact C-N 3.29Å; L396-K398 PolarHBondContact O-N 3.3Å; L396-L399 PolarHBondContact O-N 2.78Å; L396-I400 HydrophobicContact CG-CD1 4.12Å; L396-I400 WeakPolarHBondContact O-CG1 3.27Å; L396-I400 PolarHBondContact O-N 2.99Å; L396-M421 HydrophobicContact CB-CE 4.08Å; L396-M421 HydrophobicContact CD1-CE 4.31Å; L396-V425 HydrophobicContact CB-CG2 4.05Å; L396-V425 HydrophobicContact CD2-CG2 4.05Å
397S92.7Very high89Confident1 Ų172.6 Ų72.61%0.00734%0.336CS..Hα-helixtrans-60.8-40.2177.2-59.30000111.6S392 S394 L399 I400 L401S392-S397 WeakPolarHBondContact CB-OG 3.32Å; S394-S397 WeakPolarHBondContact O-CB 3.23Å; S394-S397 PolarHBondContact O-N 3.15Å; S394-S397 VanDerWaalsContact O-N 3.08Å; S394-S397 WeakPolarHBondContact OG-CB 3.36Å; S394-S397 PolarHBondContact OG-N 2.88Å; S394-S397 PolarHBondContact OG-OG 3.43Å; S397-L399 PolarHBondContact O-N 2.83Å; S397-I400 PolarHBondContact O-N 3.39Å; S397-L401 WeakPolarHBondContact O-CG 3.29Å; S397-L401 PolarHBondContact O-N 3.45Å
398K92.2Very high88.7Confident120 Ų12066.5 Ų66.552%0.52232%0.315SS..Hα-helixtrans-62.2-42.2175-67.1172.3-175.2160.70112.1S393 S394 S395 L396 I400 L401 Q402S393-K398 VanDerWaalsContact O-CE 3.28Å; S393-K398 WeakPolarHBondContact O-CE 3.38Å; S393-K398 PolarHBondContact O-NZ 2.81Å; S394-K398 PolarHBondContact O-N 3.38Å; S394-K398 VanDerWaalsContact O-N 3.12Å; S395-K398 PolarHBondContact O-N 3.46Å; L396-K398 VanDerWaalsContact C-N 3.29Å; L396-K398 PolarHBondContact O-N 3.3Å; K398-I400 VanDerWaalsContact C-N 3.33Å; K398-I400 PolarHBondContact O-N 3.37Å; K398-L401 PolarHBondContact O-N 3.4Å; K398-Q402 WeakPolarHBondContact O-CB 3.23Å; K398-Q402 WeakPolarHBondContact O-CG 3.13Å; K398-Q402 PolarHBondContact O-N 2.82Å
399L92.8Very high88.2Confident11 Ų1170.6 Ų70.66%0.05834%0.337CS..Hα-helixtrans-64.4-37.5175.9-63.7169.5000112.1I376 S395 L396 S397 Q402 S403 I408 V411 M421I376-L399 HydrophobicContact CD1-CD1 4.14Å; I376-L399 HydrophobicContact CG1-CD1 4.21Å; S395-L399 WeakPolarHBondContact O-CG 3.35Å; S395-L399 PolarHBondContact O-N 3.28Å; L396-L399 PolarHBondContact O-N 2.78Å; S397-L399 PolarHBondContact O-N 2.83Å; L399-Q402 WeakPolarHBondContact O-CB 3.47Å; L399-Q402 PolarHBondContact O-N 3.44Å; L399-S403 PolarHBondContact O-N 3.19Å; L399-I408 HydrophobicContact CD2-CG2 3.92Å; L399-V411 HydrophobicContact CD1-CG2 3.73Å; L399-V411 HydrophobicContact CD2-CG2 3.48Å; L399-V411 VanDerWaalsContact CD2-CG2 3.48Å; L399-V411 HydrophobicContact CG-CG2 4.2Å; L399-M421 HydrophobicContact CD1-CE 3.64Å
400I92.3Very high87.9Confident0 Ų076.5 Ų76.50%036%0.364CS..Hα-helixtrans-63.7-45.7175.4-67.4163.5000110.4F350 L379 P386 I388 L396 S397 K398 Q402 S403 Y404F350-I400 HydrophobicContact CD1-CD1 3.52Å; F350-I400 HydrophobicContact CE1-CD1 3.91Å; L379-I400 HydrophobicContact CD1-CG1 3.71Å; L379-I400 HydrophobicContact CD2-CG1 4.1Å; P386-I400 HydrophobicContact CG-CD1 4.47Å; P386-I400 HydrophobicContact CG-CG1 4.35Å; P386-I400 HydrophobicContact CG-CG2 3.91Å; I388-I400 HydrophobicContact CD1-CB 4.41Å; I388-I400 HydrophobicContact CD1-CG2 4.29Å; I388-I400 HydrophobicContact CG1-CG2 4.43Å; I388-I400 HydrophobicContact CG2-CB 4.38Å; I388-I400 HydrophobicContact CG2-CD1 3.7Å; I388-I400 HydrophobicContact CG2-CG2 3.92Å; L396-I400 HydrophobicContact CG-CD1 4.12Å; L396-I400 WeakPolarHBondContact O-CG1 3.27Å; L396-I400 PolarHBondContact O-N 2.99Å; S397-I400 PolarHBondContact O-N 3.39Å; K398-I400 VanDerWaalsContact C-N 3.33Å; K398-I400 PolarHBondContact O-N 3.37Å; I400-Q402 VanDerWaalsContact C-N 3.34Å; I400-Q402 PolarHBondContact O-N 2.9Å; I400-S403 WeakPolarHBondContact O-CB 3.34Å; I400-S403 PolarHBondContact O-N 2.66Å; I400-S403 VanDerWaalsContact O-N 3.15Å; I400-S403 PolarHBondContact O-OG 3.28Å; I400-Y404 HydrophobicContact CG2-CE1 4.15Å; I400-Y404 PolarHBondContact O-N 3.48Å
401L90.8Very high88.1Confident84 Ų8465.7 Ų65.744%0.4433%0.327SS..Hα-helixtrans-61.2-42.7176.2-67.9173.4000112.1I388 S397 K398 S403 Y404 H405I388-L401 HydrophobicContact CD1-CD1 4.26Å; I388-L401 HydrophobicContact CD1-CD2 3.77Å; I388-L401 HydrophobicContact CD1-CG 3.68Å; I388-L401 HydrophobicContact CG1-CD2 4.33Å; S397-L401 WeakPolarHBondContact O-CG 3.29Å; S397-L401 PolarHBondContact O-N 3.45Å; K398-L401 PolarHBondContact O-N 3.4Å; L401-S403 VanDerWaalsContact C-N 3.29Å; L401-S403 PolarHBondContact O-N 2.69Å; L401-Y404 HydrophobicContact CD2-CD2 4.27Å; L401-Y404 HydrophobicContact CD2-CE2 3.92Å; L401-Y404 WeakPolarHBondContact O-CB 3.18Å; L401-Y404 PolarHBondContact O-N 2.82Å; L401-H405 PolarHBondContact O-CD2 2.81Å
402Q89.9Confident88.3Confident57 Ų5763.2 Ų63.227%0.26632%0.318SS..Hα-helixtrans-60.9-37.1174.6-79.6-178.1-10.500112.7K398 L399 I400 Y404 H405 Q406 Q407 D409K398-Q402 WeakPolarHBondContact O-CB 3.23Å; K398-Q402 WeakPolarHBondContact O-CG 3.13Å; K398-Q402 PolarHBondContact O-N 2.82Å; L399-Q402 WeakPolarHBondContact O-CB 3.47Å; L399-Q402 PolarHBondContact O-N 3.44Å; I400-Q402 VanDerWaalsContact C-N 3.34Å; I400-Q402 PolarHBondContact O-N 2.9Å; Q402-Y404 PolarHBondContact O-N 2.92Å; Q402-H405 PolarHBondContact O-N 2.74Å; Q402-Q406 PolarHBondContact O-N 2.79Å; Q402-Q407 WeakPolarHBondContact CB-O 3.48Å; Q402-Q407 PolarHBondContact O-N 3.26Å; Q402-D409 PolarHBondContact NE2-OD2 3.42Å
403S91Very high88.6Confident12 Ų1264.7 Ų64.78%0.08433%0.325CS..Hα-helixtrans-60.1-32.6178.681.90000113.1L399 I400 L401 H405 Q406 I408L399-S403 PolarHBondContact O-N 3.19Å; I400-S403 WeakPolarHBondContact O-CB 3.34Å; I400-S403 PolarHBondContact O-N 2.66Å; I400-S403 VanDerWaalsContact O-N 3.15Å; I400-S403 PolarHBondContact O-OG 3.28Å; L401-S403 VanDerWaalsContact C-N 3.29Å; L401-S403 PolarHBondContact O-N 2.69Å; S403-H405 PolarHBondContact O-N 2.76Å; S403-Q406 PolarHBondContact O-N 3.23Å; S403-I408 VanDerWaalsContact CB-CD1 3.45Å
404Y88.6Confident88.8Confident90 Ų9066.6 Ų66.635%0.35333%0.334SS..Hα-helixtrans-63.7-25.7177.4-58.2-27.2000112.7P386 I400 L401 Q402P386-Y404 PolarHBondContact O-OH 2.89Å; I400-Y404 HydrophobicContact CG2-CE1 4.15Å; I400-Y404 PolarHBondContact O-N 3.48Å; L401-Y404 HydrophobicContact CD2-CD2 4.27Å; L401-Y404 HydrophobicContact CD2-CE2 3.92Å; L401-Y404 WeakPolarHBondContact O-CB 3.18Å; L401-Y404 PolarHBondContact O-N 2.82Å; Q402-Y404 PolarHBondContact O-N 2.92Å
405H85.8Confident88.5Confident143 Ų14370 Ų7066%0.66237%0.37SS*.THydrogen-bonded Turntrans-95.95.3176.4-58.8-63.3000113.2L401 Q402 S403 Q407L401-H405 PolarHBondContact O-CD2 2.81Å; Q402-H405 PolarHBondContact O-N 2.74Å; S403-H405 PolarHBondContact O-N 2.76Å; H405-Q407 PolarHBondContact O-N 2.6Å
406Q80.3Confident88.4Confident177 Ų17773.3 Ų73.383%0.82738%0.383SS*.THydrogen-bonded Turntrans57.325.9-176.9-58.2179.1-11.600114Q402 S403Q402-Q406 PolarHBondContact O-N 2.79Å; S403-Q406 PolarHBondContact O-N 3.23Å
407Q80.8Confident88.4Confident150 Ų15075.8 Ų75.870%0.70140%0.399SS*.  trans-128.775.4-179.8-70.5-174.5-10.200109.2Q402 H405Q402-Q407 WeakPolarHBondContact CB-O 3.48Å; Q402-Q407 PolarHBondContact O-N 3.26Å; H405-Q407 PolarHBondContact O-N 2.6Å
408I85.3Confident88.5Confident29 Ų2976.1 Ų76.115%0.14940%0.401CS..  trans-88.3125.1176-55.7-171.7000109.3L379 R380 L399 S403L379-I408 VanDerWaalsContact C-CD1 3.42Å; L379-I408 HydrophobicContact CB-CD1 3.58Å; R380-I408 HydrophobicContact CB-CD1 4.19Å; L399-I408 HydrophobicContact CD2-CG2 3.92Å; S403-I408 VanDerWaalsContact CB-CD1 3.45Å
409D82.4Confident88.6Confident98 Ų9870.6 Ų70.652%0.52438%0.377SS..  trans-62.4149.5174.5-70.8-34000111.6Q402 V411Q402-D409 PolarHBondContact NE2-OD2 3.42Å; D409-V411 PolarHBondContact O-N 3.45Å; D409-V411 VanDerWaalsContact O-N 3.16Å
410H83.9Confident88.7Confident151 Ų15171.5 Ų71.570%0.69938%0.383SS*.  trans-71.2112.1173.8179-75.7000110.1
411V86.9Confident88.9Confident34 Ų3471.7 Ų71.721%0.20638%0.384CS..  trans-97.4122.3174-176.90000110.1I376 L399 D409 L413 T417 M421I376-V411 HydrophobicContact CD1-CB 4.35Å; I376-V411 HydrophobicContact CD1-CG1 4.49Å; L399-V411 HydrophobicContact CD1-CG2 3.73Å; L399-V411 HydrophobicContact CD2-CG2 3.48Å; L399-V411 VanDerWaalsContact CD2-CG2 3.48Å; L399-V411 HydrophobicContact CG-CG2 4.2Å; D409-V411 PolarHBondContact O-N 3.45Å; D409-V411 VanDerWaalsContact O-N 3.16Å; V411-L413 HydrophobicContact CG1-CD2 4.15Å; V411-L413 PolarHBondContact O-N 2.95Å; V411-T417 HydrophobicContact CG1-CG2 4.45Å; V411-M421 HydrophobicContact CG1-SD 4.12Å
412S88.8Confident89.2Confident58 Ų5867.9 Ų67.941%0.40636%0.364SS..  trans-83.1107.9171.8-170.80000109.7T414S412-T414 PolarHBondContact O-N 3.03Å; S412-T414 PolarHBondContact OG-OG1 3.38Å
413L90.7Very high89.5Confident47 Ų4765.1 Ų65.125%0.24635%0.351CS..  trans-80.254.4174.9-63.5177.5000111.3L372 K373 I376 V411 P418 M421L372-L413 HydrophobicContact CB-CD1 4.14Å; L372-L413 HydrophobicContact CB-CD2 4.17Å; L372-L413 HydrophobicContact CD1-CD2 4.38Å; K373-L413 HydrophobicContact CB-CD1 3.77Å; I376-L413 HydrophobicContact CD1-CD1 4.2Å; I376-L413 HydrophobicContact CD1-CD2 4.01Å; I376-L413 HydrophobicContact CD1-CG 4.35Å; V411-L413 HydrophobicContact CG1-CD2 4.15Å; V411-L413 PolarHBondContact O-N 2.95Å; L413-P418 HydrophobicContact CB-CG 4.1Å; L413-P418 HydrophobicContact CD2-CG 4.32Å; L413-M421 HydrophobicContact CD2-SD 4.08Å
414T88.3Confident89.8Confident92 Ų9266.5 Ų66.556%0.56436%0.357SS*.  trans-120.6155.918055.90000111S412 T417S412-T414 PolarHBondContact O-N 3.03Å; S412-T414 PolarHBondContact OG-OG1 3.38Å; T414-T417 WeakPolarHBondContact O-CB 3.43Å; T414-T417 PolarHBondContact O-N 3.01Å; T414-T417 PolarHBondContact O-OG1 3.16Å
415G88.1Confident90.2Very high75 Ų7562.5 Ų62.577%0.77334%0.341SS*.THydrogen-bonded Turntrans60.8-135-177.900000111.9T417 P418G415-T417 VanDerWaalsContact C-N 3.34Å; G415-P418 WeakPolarHBondContact O-CD 3.25Å
416I91.1Very high90.7Very high110 Ų11055.7 Ų55.756%0.56431%0.31SS*.THydrogen-bonded Turntrans-81-10.4-176.660.3170.1000114.4L283 V419 T420L283-I416 HydrophobicContact CD2-CB 3.68Å; L283-I416 HydrophobicContact CD2-CG2 4.03Å; I416-V419 WeakPolarHBondContact O-CB 3.48Å; I416-V419 PolarHBondContact O-N 3.43Å; I416-V419 VanDerWaalsContact O-N 3.08Å; I416-T420 PolarHBondContact O-N 2.85Å; I416-T420 PolarHBondContact O-OG1 2.81Å
417T93.8Very high91.5Very high52 Ų5247.2 Ų47.232%0.31927%0.27SS..Hα-helixtrans-52.8-47-173.5-46.90000113.7V411 T414 G415 V419 T420 M421V411-T417 HydrophobicContact CG1-CG2 4.45Å; T414-T417 WeakPolarHBondContact O-CB 3.43Å; T414-T417 PolarHBondContact O-N 3.01Å; T414-T417 PolarHBondContact O-OG1 3.16Å; G415-T417 VanDerWaalsContact C-N 3.34Å; T417-V419 VanDerWaalsContact C-N 3.3Å; T417-V419 PolarHBondContact O-N 2.81Å; T417-T420 PolarHBondContact O-N 2.66Å; T417-M421 HydrophobicContact CG2-SD 4.41Å; T417-M421 WeakPolarHBondContact O-CG 3.5Å; T417-M421 PolarHBondContact O-N 2.91Å
418P94.6Very high92.1Very high8 Ų840.9 Ų40.95%0.05224%0.241CC..Hα-helixtrans-60.7-39.2179.4-23.936.4000113I368 L372 L413 G415 M421 L422I368-P418 HydrophobicContact CG2-CB 3.88Å; I368-P418 WeakPolarHBondContact CG2-O 3.45Å; L372-P418 HydrophobicContact CD1-CB 3.96Å; L372-P418 WeakPolarHBondContact CD1-O 3.41Å; L413-P418 HydrophobicContact CB-CG 4.1Å; L413-P418 HydrophobicContact CD2-CG 4.32Å; G415-P418 WeakPolarHBondContact O-CD 3.25Å; P418-M421 PolarHBondContact O-N 3.23Å; P418-L422 PolarHBondContact O-N 2.85Å
419V94.4Very high92.6Very high4 Ų440.1 Ų40.12%0.02424%0.237CC..Hα-helixtrans-69.8-44.3-180-178.10000110.3L279 L283 Y365 I368 I416 T417 M421 L422 L423L279-V419 HydrophobicContact CB-CG1 4.28Å; L279-V419 HydrophobicContact CD2-CG1 4.22Å; L283-V419 HydrophobicContact CD1-CG1 4.29Å; L283-V419 HydrophobicContact CD2-CB 3.82Å; L283-V419 HydrophobicContact CD2-CG1 3.65Å; L283-V419 HydrophobicContact CG-CB 4.45Å; L283-V419 HydrophobicContact CG-CG1 3.74Å; Y365-V419 HydrophobicContact CD1-CG2 3.4Å; Y365-V419 HydrophobicContact CE1-CG2 3.6Å; I368-V419 HydrophobicContact CD1-CG2 4.26Å; I416-V419 WeakPolarHBondContact O-CB 3.48Å; I416-V419 PolarHBondContact O-N 3.43Å; I416-V419 VanDerWaalsContact O-N 3.08Å; T417-V419 VanDerWaalsContact C-N 3.3Å; T417-V419 PolarHBondContact O-N 2.81Å; V419-M421 VanDerWaalsContact C-N 3.32Å; V419-M421 PolarHBondContact O-N 3.2Å; V419-L422 PolarHBondContact O-N 3.38Å; V419-L423 VanDerWaalsContact O-CB 3.27Å; V419-L423 WeakPolarHBondContact O-CB 3.37Å; V419-L423 PolarHBondContact O-N 3.5Å
420T95.5Very high93.2Very high31 Ų3135.5 Ų35.519%0.1921%0.212CC..Hα-helixtrans-55.8-47.4173.8-57.90000111.1I416 T417 L422 L423 E424 L459I416-T420 PolarHBondContact O-N 2.85Å; I416-T420 PolarHBondContact O-OG1 2.81Å; T417-T420 PolarHBondContact O-N 2.66Å; T420-L422 PolarHBondContact O-N 2.9Å; T420-L423 PolarHBondContact O-N 3.14Å; T420-E424 VanDerWaalsContact O-CG 3.29Å; T420-E424 WeakPolarHBondContact O-CG 3.31Å; T420-E424 PolarHBondContact O-N 2.94Å; T420-L459 HydrophobicContact CG2-CD1 3.79Å
421M96.6Very high93.7Very high4 Ų429.1 Ų29.12%0.0218%0.182CC..Hα-helixtrans-61.3-44.3178.4-70.1-177.47000112.3L372 I376 L396 L399 V411 L413 T417 P418 V419 V425L372-M421 HydrophobicContact CD1-CB 3.93Å; L372-M421 HydrophobicContact CD1-SD 4.28Å; I376-M421 HydrophobicContact CD1-CE 4.42Å; L396-M421 HydrophobicContact CB-CE 4.08Å; L396-M421 HydrophobicContact CD1-CE 4.31Å; L399-M421 HydrophobicContact CD1-CE 3.64Å; V411-M421 HydrophobicContact CG1-SD 4.12Å; L413-M421 HydrophobicContact CD2-SD 4.08Å; T417-M421 HydrophobicContact CG2-SD 4.41Å; T417-M421 WeakPolarHBondContact O-CG 3.5Å; T417-M421 PolarHBondContact O-N 2.91Å; P418-M421 PolarHBondContact O-N 3.23Å; V419-M421 VanDerWaalsContact C-N 3.32Å; V419-M421 PolarHBondContact O-N 3.2Å; M421-V425 WeakPolarHBondContact O-CG2 3.33Å; M421-V425 PolarHBondContact O-N 3.28Å
422L96.4Very high94Very high3 Ų328.5 Ų28.52%0.01618%0.176CC..Hα-helixtrans-67.3-41.2179.1-175.363000111.8F275 L279 W355 M358 I368 P418 V419 T420 V425 G426F275-L422 HydrophobicContact CE1-CD2 4.28Å; F275-L422 HydrophobicContact CZ-CD2 4.41Å; L279-L422 HydrophobicContact CD1-CB 4.49Å; L279-L422 HydrophobicContact CD1-CD2 3.91Å; L279-L422 HydrophobicContact CD1-CG 3.99Å; L279-L422 HydrophobicContact CD2-CD2 4.43Å; W355-L422 HydrophobicContact CE3-CD1 3.78Å; W355-L422 HydrophobicContact CE3-CG 4.07Å; W355-L422 HydrophobicContact CZ3-CD1 4.26Å; W355-L422 HydrophobicContact CZ3-CG 4.04Å; M358-L422 HydrophobicContact CB-CD1 4.44Å; M358-L422 HydrophobicContact CE-CD1 4.02Å; M358-L422 HydrophobicContact CE-CD2 4.14Å; M358-L422 HydrophobicContact SD-CD1 4Å; I368-L422 HydrophobicContact CD1-CD2 3.73Å; I368-L422 HydrophobicContact CG1-CD2 3.8Å; I368-L422 HydrophobicContact CG2-CB 4Å; I368-L422 HydrophobicContact CG2-CD2 3.97Å; P418-L422 PolarHBondContact O-N 2.85Å; V419-L422 PolarHBondContact O-N 3.38Å; T420-L422 PolarHBondContact O-N 2.9Å; L422-V425 PolarHBondContact O-N 2.78Å; L422-G426 PolarHBondContact O-N 2.79Å
423L96.5Very high94.2Very high0 Ų026.2 Ų26.20%016%0.16CC..Hα-helixtrans-61.4-43.6177.3179.358.6000111.7L276 L279 A280 L283 V419 T420 V425 G426 L427 L459 V463L276-L423 HydrophobicContact CD1-CD1 3.53Å; L276-L423 HydrophobicContact CG-CD1 3.67Å; L279-L423 HydrophobicContact CB-CD1 4.26Å; A280-L423 HydrophobicContact CB-CD1 4.36Å; A280-L423 HydrophobicContact CB-CD2 4.15Å; L283-L423 HydrophobicContact CD1-CD2 3.45Å; L283-L423 VanDerWaalsContact CD1-CD2 3.45Å; V419-L423 VanDerWaalsContact O-CB 3.27Å; V419-L423 WeakPolarHBondContact O-CB 3.37Å; V419-L423 PolarHBondContact O-N 3.5Å; T420-L423 PolarHBondContact O-N 3.14Å; L423-V425 VanDerWaalsContact C-N 3.33Å; L423-V425 PolarHBondContact O-N 2.99Å; L423-G426 PolarHBondContact O-N 2.61Å; L423-L427 HydrophobicContact CD1-CD1 4.28Å; L423-L427 HydrophobicContact CD1-CG 4.39Å; L423-L427 HydrophobicContact CG-CD1 4.04Å; L423-L427 WeakPolarHBondContact O-CB 3.35Å; L423-L427 WeakPolarHBondContact O-CG 3.36Å; L423-L427 PolarHBondContact O-N 3.07Å; L423-L459 HydrophobicContact CD2-CB 3.89Å; L423-L459 HydrophobicContact CD2-CD1 4.08Å; L423-V463 HydrophobicContact CD1-CG2 3.91Å
424E96.9Very high94.3Very high41 Ų4124 Ų2419%0.19215%0.148CC..Hα-helixtrans-59.7-41.9175.2-73.9172.5173.100112.2S395 T420 L427 D428 L459S395-E424 WeakPolarHBondContact CB-OE2 2.95Å; S395-E424 PolarHBondContact N-OE2 3.4Å; S395-E424 PolarHBondContact OG-OE1 3.37Å; S395-E424 PolarHBondContact OG-OE2 3.01Å; T420-E424 VanDerWaalsContact O-CG 3.29Å; T420-E424 WeakPolarHBondContact O-CG 3.31Å; T420-E424 PolarHBondContact O-N 2.94Å; E424-L427 PolarHBondContact O-N 2.92Å; E424-D428 PolarHBondContact O-N 2.81Å; E424-L459 HydrophobicContact CG-CD1 4.43Å; E424-L459 HydrophobicContact CG-CD2 4.04Å
425V96.8Very high94.6Very high5 Ų521.7 Ų21.73%0.0313%0.132CC..Hα-helixtrans-65.4-44.6177.7176.10000110.9A351 W355 L396 M421 L422 L423 L427 D428 K429A351-V425 HydrophobicContact CB-CG1 3.97Å; A351-V425 HydrophobicContact CB-CG2 4.47Å; A351-V425 WeakPolarHBondContact O-CG1 3.47Å; W355-V425 HydrophobicContact CB-CG1 3.79Å; L396-V425 HydrophobicContact CB-CG2 4.05Å; L396-V425 HydrophobicContact CD2-CG2 4.05Å; M421-V425 WeakPolarHBondContact O-CG2 3.33Å; M421-V425 PolarHBondContact O-N 3.28Å; L422-V425 PolarHBondContact O-N 2.78Å; L423-V425 VanDerWaalsContact C-N 3.33Å; L423-V425 PolarHBondContact O-N 2.99Å; V425-L427 PolarHBondContact O-N 3.37Å; V425-D428 PolarHBondContact O-N 2.94Å; V425-K429 WeakPolarHBondContact O-CB 3.36Å; V425-K429 PolarHBondContact O-N 2.87Å
426G96.3Very high94.7Very high0 Ų021.7 Ų21.70%011%0.114CC..Hα-helixtrans-62.5-40.9176.600000112.8W355 L422 L423 K429 M430W355-G426 VanDerWaalsContact CD2-CA 3.47Å; W355-G426 VanDerWaalsContact CE3-CA 3.5Å; L422-G426 PolarHBondContact O-N 2.79Å; L423-G426 PolarHBondContact O-N 2.61Å; G426-K429 PolarHBondContact O-N 2.73Å; G426-M430 WeakPolarHBondContact O-CB 3.35Å; G426-M430 VanDerWaalsContact O-CG 3.26Å; G426-M430 WeakPolarHBondContact O-CG 3.16Å; G426-M430 PolarHBondContact O-N 2.83Å
427L96.6Very high94.7Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-60.8-47.8174.5-80164.3000111.9L276 L423 E424 V425 K429 M430 R431 L459 Q462 V463 L466L276-L427 HydrophobicContact CD1-CG 4.45Å; L276-L427 HydrophobicContact CD2-CD2 3.87Å; L276-L427 HydrophobicContact CD2-CG 4.11Å; L423-L427 HydrophobicContact CD1-CD1 4.28Å; L423-L427 HydrophobicContact CD1-CG 4.39Å; L423-L427 HydrophobicContact CG-CD1 4.04Å; L423-L427 WeakPolarHBondContact O-CB 3.35Å; L423-L427 WeakPolarHBondContact O-CG 3.36Å; L423-L427 PolarHBondContact O-N 3.07Å; E424-L427 PolarHBondContact O-N 2.92Å; V425-L427 PolarHBondContact O-N 3.37Å; L427-K429 PolarHBondContact O-N 3.12Å; L427-M430 PolarHBondContact O-N 3.35Å; L427-R431 WeakPolarHBondContact O-CB 3.3Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.48Å; L427-R431 PolarHBondContact O-N 3.45Å; L427-L459 HydrophobicContact CD1-CB 4.47Å; L427-L459 HydrophobicContact CD1-CD2 3.63Å; L427-Q462 HydrophobicContact CD1-CB 4.17Å; L427-Q462 HydrophobicContact CD2-CB 3.87Å; L427-V463 HydrophobicContact CD1-CG2 4.46Å; L427-V463 HydrophobicContact CD2-CG2 3.83Å; L427-V463 HydrophobicContact CG-CG2 4.35Å; L427-L466 HydrophobicContact CD2-CD1 3.68Å; L427-L466 HydrophobicContact CD2-CG 4.25Å
428D94.9Very high94.7Very high16 Ų1615.7 Ų15.79%0.0868%0.078CC..Hα-helixtrans-62.4-42179.1-83.1-3.1000111.8S393 S394 E424 V425 R431 K432S393-D428 PolarHBondContact N-OD2 2.72Å; S394-D428 PolarHBondContact N-OD2 3.13Å; E424-D428 PolarHBondContact O-N 2.81Å; V425-D428 PolarHBondContact O-N 2.94Å; D428-R431 IonicContact OD1-NH1 3.02Å; D428-R431 PolarHBondContact OD1-NH1 2.77Å; D428-K432 PolarHBondContact O-N 3.42Å
429K94.6Very high94.7Very high14 Ų1417.8 Ų17.86%0.0619%0.089CC..Hα-helixtrans-62.8-54.5176.6-173.4-82.6-167.1175.30111.1E272 R345 E352 V425 G426 L427 R431 K432 D433E272-K429 WeakPolarHBondContact OE1-CD 3.47Å; E272-K429 WeakPolarHBondContact OE1-CE 3.49Å; E272-K429 IonicContact OE1-NZ 3.2Å; E272-K429 PolarHBondContact OE1-NZ 2.99Å; E272-K429 IonicContact OE2-NZ 3.88Å; E272-K429 PolarHBondContact OE2-NZ 3.42Å; R345-K429 PolarHBondContact NH2-O 3.23Å; E352-K429 HydrophobicContact CB-CB 4.35Å; E352-K429 HydrophobicContact CB-CG 3.9Å; E352-K429 HydrophobicContact CG-CB 3.93Å; E352-K429 HydrophobicContact CG-CG 3.93Å; V425-K429 WeakPolarHBondContact O-CB 3.36Å; V425-K429 PolarHBondContact O-N 2.87Å; G426-K429 PolarHBondContact O-N 2.73Å; L427-K429 PolarHBondContact O-N 3.12Å; K429-R431 VanDerWaalsContact C-N 3.33Å; K429-R431 PolarHBondContact O-N 2.95Å; K429-K432 PolarHBondContact O-N 2.84Å; K429-K432 VanDerWaalsContact O-N 3.09Å; K429-D433 VanDerWaalsContact CD-OD2 3.26Å; K429-D433 WeakPolarHBondContact CD-OD2 3.37Å; K429-D433 WeakPolarHBondContact CE-OD2 3.33Å; K429-D433 IonicContact NZ-OD2 2.72Å; K429-D433 PolarHBondContact NZ-OD2 3.45Å; K429-D433 PolarHBondContact O-N 3.47Å
430M94.6Very high94.5Very high0 Ų020 Ų200%011%0.113CC..Hα-helixtrans-63.3-37.9-175.2-72.7-72.1-80.600111.9M269 E272 L273 G426 L427 K432 D433 Y434 L466M269-M430 HydrophobicContact CG-CE 4.05Å; M269-M430 HydrophobicContact CG-SD 4.46Å; E272-M430 HydrophobicContact CB-CE 4.43Å; E272-M430 HydrophobicContact CB-SD 4.22Å; E272-M430 VanDerWaalsContact CD-SD 3.58Å; E272-M430 HydrophobicContact CG-CE 4.39Å; E272-M430 HydrophobicContact CG-CG 4.44Å; E272-M430 HydrophobicContact CG-SD 3.7Å; L273-M430 HydrophobicContact CB-CE 3.74Å; L273-M430 HydrophobicContact CD1-CE 4.46Å; G426-M430 WeakPolarHBondContact O-CB 3.35Å; G426-M430 VanDerWaalsContact O-CG 3.26Å; G426-M430 WeakPolarHBondContact O-CG 3.16Å; G426-M430 PolarHBondContact O-N 2.83Å; L427-M430 PolarHBondContact O-N 3.35Å; M430-K432 VanDerWaalsContact C-N 3.33Å; M430-K432 PolarHBondContact O-N 3.39Å; M430-D433 PolarHBondContact O-N 2.83Å; M430-Y434 HydrophobicContact CB-CE2 4.17Å; M430-Y434 HydrophobicContact CE-CE2 4.02Å; M430-Y434 VanDerWaalsContact CE-OH 3.3Å; M430-Y434 WeakPolarHBondContact CE-OH 3.44Å; M430-Y434 WeakPolarHBondContact O-CD2 3.33Å; M430-Y434 PolarHBondContact O-N 2.89Å; M430-L466 HydrophobicContact CB-CD1 3.71Å
431R94.9Very high94.2Very high17 Ų1723.4 Ų23.46%0.06413%0.126CC..Hα-helixtrans-54.9-48.5171.6-79.1179.7-167.5115.59.9112.1L427 D428 K429 D433 Y434 I435 L453 Q462 L466L427-R431 WeakPolarHBondContact O-CB 3.3Å; L427-R431 VanDerWaalsContact O-CG 3.27Å; L427-R431 WeakPolarHBondContact O-CG 3.48Å; L427-R431 PolarHBondContact O-N 3.45Å; D428-R431 IonicContact OD1-NH1 3.02Å; D428-R431 PolarHBondContact OD1-NH1 2.77Å; K429-R431 VanDerWaalsContact C-N 3.33Å; K429-R431 PolarHBondContact O-N 2.95Å; R431-D433 VanDerWaalsContact C-N 3.27Å; R431-D433 PolarHBondContact O-N 3.29Å; R431-Y434 PolarHBondContact O-N 3.14Å; R431-I435 WeakPolarHBondContact O-CB 3.38Å; R431-I435 WeakPolarHBondContact O-CD1 3.42Å; R431-I435 WeakPolarHBondContact O-CG1 2.96Å; R431-I435 PolarHBondContact O-N 3.02Å; R431-L453 HydrophobicContact CB-CD2 3.97Å; R431-L453 HydrophobicContact CG-CD2 3.79Å; R431-L453 PolarHBondContact NE-O 3.1Å; R431-Q462 VanDerWaalsContact NH2-CD 3.33Å; R431-L466 HydrophobicContact CG-CD1 4.45Å; R431-L466 HydrophobicContact CG-CD2 3.91Å
432K93.4Very high94Very high21 Ų2129.8 Ų29.89%0.09116%0.156CC..Hα-helixtrans-65.1-33.7-179.2-75171.3178.1125.30111.9R345 E352 D391 S392 D428 K429 M430 I435 N436R345-K432 VanDerWaalsContact CZ-CB 3.48Å; E352-K432 WeakPolarHBondContact OE1-CD 3.35Å; E352-K432 IonicContact OE1-NZ 3.25Å; D391-K432 WeakPolarHBondContact OD1-CE 3.32Å; D391-K432 IonicContact OD1-NZ 3.44Å; S392-K432 PolarHBondContact OG-NZ 3.18Å; D428-K432 PolarHBondContact O-N 3.42Å; K429-K432 PolarHBondContact O-N 2.84Å; K429-K432 VanDerWaalsContact O-N 3.09Å; M430-K432 VanDerWaalsContact C-N 3.33Å; M430-K432 PolarHBondContact O-N 3.39Å; K432-I435 PolarHBondContact O-N 3.2Å; K432-N436 VanDerWaalsContact O-CB 3.25Å; K432-N436 WeakPolarHBondContact O-CB 3.39Å; K432-N436 PolarHBondContact O-N 2.76Å
433D92.5Very high93.9Very high11 Ų1129.6 Ų29.66%0.05916%0.155CC..Hα-helixtrans-68.1-45.7175.1-670.6000112.2R345 K429 M430 R431 I435 N436 Y437R345-D433 IonicContact CZ-OD1 3.17Å; R345-D433 IonicContact NE-OD1 3.96Å; R345-D433 PolarHBondContact NE-OD1 3.41Å; R345-D433 IonicContact NH2-OD1 2.79Å; R345-D433 PolarHBondContact NH2-OD1 3.29Å; K429-D433 VanDerWaalsContact CD-OD2 3.26Å; K429-D433 WeakPolarHBondContact CD-OD2 3.37Å; K429-D433 WeakPolarHBondContact CE-OD2 3.33Å; K429-D433 IonicContact NZ-OD2 2.72Å; K429-D433 PolarHBondContact NZ-OD2 3.45Å; K429-D433 PolarHBondContact O-N 3.47Å; M430-D433 PolarHBondContact O-N 2.83Å; R431-D433 VanDerWaalsContact C-N 3.27Å; R431-D433 PolarHBondContact O-N 3.29Å; D433-I435 VanDerWaalsContact C-N 3.3Å; D433-I435 PolarHBondContact O-N 2.87Å; D433-N436 WeakPolarHBondContact O-CB 3.38Å; D433-N436 PolarHBondContact O-N 2.83Å; D433-Y437 PolarHBondContact O-N 2.9Å
434Y94.1Very high93.9Very high0 Ų029.9 Ų29.90%016%0.157CC..Hα-helixtrans-62.7-38.4174.3-68-59.8000112.1M269 M430 R431 L438 L466 L469 H470 L473M269-Y434 HydrophobicContact SD-CD1 4.26Å; M269-Y434 HydrophobicContact SD-CE1 3.61Å; M430-Y434 HydrophobicContact CB-CE2 4.17Å; M430-Y434 HydrophobicContact CE-CE2 4.02Å; M430-Y434 VanDerWaalsContact CE-OH 3.3Å; M430-Y434 WeakPolarHBondContact CE-OH 3.44Å; M430-Y434 WeakPolarHBondContact O-CD2 3.33Å; M430-Y434 PolarHBondContact O-N 2.89Å; R431-Y434 PolarHBondContact O-N 3.14Å; Y434-L438 VanDerWaalsContact O-CB 3.26Å; Y434-L438 WeakPolarHBondContact O-CB 3.32Å; Y434-L438 WeakPolarHBondContact O-CG 3.39Å; Y434-L438 PolarHBondContact O-N 3.09Å; Y434-L466 HydrophobicContact CD2-CD2 3.9Å; Y434-L466 HydrophobicContact CE2-CB 4.31Å; Y434-L466 HydrophobicContact CE2-CD1 4.49Å; Y434-L466 HydrophobicContact CE2-CD2 4.13Å; Y434-L469 HydrophobicContact CD1-CB 4.41Å; Y434-L469 HydrophobicContact CD2-CB 4.46Å; Y434-L469 HydrophobicContact CD2-CD1 4.43Å; Y434-L469 HydrophobicContact CG-CB 4.34Å; Y434-L469 HydrophobicContact CG-CD1 4.39Å; Y434-H470 HydrophobicContact CE1-CB 4.11Å; Y434-H470 AromaticContact CE1-ND1 3.88Å; Y434-H470 AromaticContact CZ-ND1 3.81Å; Y434-H470 VanDerWaalsContact OH-CB 3.23Å; Y434-H470 WeakPolarHBondContact OH-CB 3.46Å; Y434-H470 PolarHBondContact OH-ND1 3.32Å; Y434-L473 HydrophobicContact CD1-CD2 3.87Å; Y434-L473 HydrophobicContact CE1-CD2 3.86Å
435I93.3Very high93.9Very high44 Ų4431.2 Ų31.223%0.22617%0.168CC..Hα-helixtrans-62.2-49.5173.2-70.1163.8000110R431 K432 D433 Y437 L438 I439 L446 L449 L453R431-I435 WeakPolarHBondContact O-CB 3.38Å; R431-I435 WeakPolarHBondContact O-CD1 3.42Å; R431-I435 WeakPolarHBondContact O-CG1 2.96Å; R431-I435 PolarHBondContact O-N 3.02Å; K432-I435 PolarHBondContact O-N 3.2Å; D433-I435 VanDerWaalsContact C-N 3.3Å; D433-I435 PolarHBondContact O-N 2.87Å; I435-Y437 VanDerWaalsContact C-N 3.26Å; I435-Y437 PolarHBondContact O-N 3.1Å; I435-L438 PolarHBondContact O-N 2.81Å; I435-I439 HydrophobicContact CG2-CB 4.42Å; I435-I439 HydrophobicContact CG2-CG1 3.94Å; I435-I439 WeakPolarHBondContact O-CA 3.33Å; I435-I439 WeakPolarHBondContact O-CB 3.38Å; I435-I439 WeakPolarHBondContact O-CG1 3.11Å; I435-I439 PolarHBondContact O-N 3.27Å; I435-L446 HydrophobicContact CD1-CD2 4.26Å; I435-L446 HydrophobicContact CG1-CD2 4.17Å; I435-L446 HydrophobicContact CG2-CD2 4.12Å; I435-L449 HydrophobicContact CG1-CD1 4.49Å; I435-L453 HydrophobicContact CD1-CD1 3.69Å; I435-L453 HydrophobicContact CD1-CD2 4.18Å; I435-L453 HydrophobicContact CG1-CD1 3.69Å; I435-L453 HydrophobicContact CG1-CD2 4.13Å
436N91.6Very high93.8Very high74 Ų7435.6 Ų35.640%0.39619%0.191SC..Hα-helixtrans-55.2-44.5-178.3-179.170.8000111K432 D433 G440K432-N436 VanDerWaalsContact O-CB 3.25Å; K432-N436 WeakPolarHBondContact O-CB 3.39Å; K432-N436 PolarHBondContact O-N 2.76Å; D433-N436 WeakPolarHBondContact O-CB 3.38Å; D433-N436 PolarHBondContact O-N 2.83Å; N436-G440 WeakPolarHBondContact O-CA 3.37Å; N436-G440 PolarHBondContact O-N 3.13Å
437Y90.9Very high93.7Very high36 Ų3642.4 Ų42.414%0.14123%0.227CC..Hα-helixtrans-73.8-59.1177.1-171.3-87.4000112.7L343 D433 I435 I439 G440 E441 L443 L473 V477L343-Y437 HydrophobicContact CD2-CD2 3.42Å; L343-Y437 VanDerWaalsContact CD2-CD2 3.42Å; L343-Y437 HydrophobicContact CD2-CE2 3.63Å; L343-Y437 HydrophobicContact CD2-CG 4.24Å; L343-Y437 HydrophobicContact CG-CD2 4.46Å; D433-Y437 PolarHBondContact O-N 2.9Å; I435-Y437 VanDerWaalsContact C-N 3.26Å; I435-Y437 PolarHBondContact O-N 3.1Å; Y437-I439 VanDerWaalsContact C-N 3.31Å; Y437-I439 PolarHBondContact O-N 3.08Å; Y437-G440 PolarHBondContact O-N 3.19Å; Y437-E441 HydrophobicContact CD1-CG 4.44Å; Y437-E441 HydrophobicContact CD2-CG 4.21Å; Y437-E441 HydrophobicContact CE1-CG 4.25Å; Y437-E441 HydrophobicContact CE2-CG 4Å; Y437-E441 HydrophobicContact CG-CG 4.46Å; Y437-E441 VanDerWaalsContact O-CB 3.31Å; Y437-E441 WeakPolarHBondContact O-CB 3.49Å; Y437-E441 WeakPolarHBondContact O-CG 3.23Å; Y437-E441 PolarHBondContact O-N 2.82Å; Y437-L443 HydrophobicContact CD1-CD1 4.41Å; Y437-L443 HydrophobicContact CE1-CD1 3.83Å; Y437-L473 HydrophobicContact CD1-CD1 3.12Å; Y437-L473 HydrophobicContact CD1-CG 4.47Å; Y437-L473 HydrophobicContact CE1-CD1 3.18Å; Y437-L473 HydrophobicContact CG-CD1 3.88Å; Y437-V477 HydrophobicContact CE1-CG2 4.29Å; Y437-V477 WeakPolarHBondContact OH-CG2 3.47Å
438L93.2Very high93.6Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-68.1-30.1-169.8-66.3171000113.2Y434 I435 L443 T444 L449 L469 L472 L473 I476Y434-L438 VanDerWaalsContact O-CB 3.26Å; Y434-L438 WeakPolarHBondContact O-CB 3.32Å; Y434-L438 WeakPolarHBondContact O-CG 3.39Å; Y434-L438 PolarHBondContact O-N 3.09Å; I435-L438 PolarHBondContact O-N 2.81Å; L438-L443 HydrophobicContact CD2-CD1 4.31Å; L438-L443 PolarHBondContact O-N 3.36Å; L438-T444 HydrophobicContact CB-CG2 3.89Å; L438-T444 PolarHBondContact O-N 3.39Å; L438-L449 HydrophobicContact CB-CD1 4.36Å; L438-L449 HydrophobicContact CD1-CD1 4.41Å; L438-L449 HydrophobicContact CD1-CD2 4Å; L438-L469 HydrophobicContact CD1-CD2 4.23Å; L438-L472 HydrophobicContact CD1-CD2 4.27Å; L438-L472 HydrophobicContact CD2-CD2 3.82Å; L438-L473 HydrophobicContact CD2-CD1 4.31Å; L438-I476 HydrophobicContact CD2-CD1 4.17Å
439I93.8Very high93.6Very high53 Ų5346.2 Ų46.227%0.27224%0.244SC..Hα-helixtrans-89.2-38.8174.3-53-57.5000110.9I435 Y437 E441 E442 T444 T445 L446 L449I435-I439 HydrophobicContact CG2-CB 4.42Å; I435-I439 HydrophobicContact CG2-CG1 3.94Å; I435-I439 WeakPolarHBondContact O-CA 3.33Å; I435-I439 WeakPolarHBondContact O-CB 3.38Å; I435-I439 WeakPolarHBondContact O-CG1 3.11Å; I435-I439 PolarHBondContact O-N 3.27Å; Y437-I439 VanDerWaalsContact C-N 3.31Å; Y437-I439 PolarHBondContact O-N 3.08Å; I439-E441 VanDerWaalsContact C-N 3.33Å; I439-E441 PolarHBondContact O-N 3.1Å; I439-E442 WeakPolarHBondContact O-CA 3.49Å; I439-E442 PolarHBondContact O-N 3.12Å; I439-T444 HydrophobicContact CD1-CG2 3.84Å; I439-T444 VanDerWaalsContact CD1-O 3.24Å; I439-T444 WeakPolarHBondContact CD1-O 3.48Å; I439-T445 VanDerWaalsContact CD1-C 3.43Å; I439-L446 HydrophobicContact CD1-CG 4.5Å; I439-L446 HydrophobicContact CG1-CD2 4.36Å; I439-L446 HydrophobicContact CG1-CG 4.49Å; I439-L449 HydrophobicContact CD1-CD1 3.82Å; I439-L449 HydrophobicContact CG1-CD1 4.12Å
440G90.3Very high93.7Very high51 Ų5152.2 Ų52.253%0.52627%0.267SS..Hα-helixtrans-63.9-37.6179.600000112.9N436 Y437 E442N436-G440 WeakPolarHBondContact O-CA 3.37Å; N436-G440 PolarHBondContact O-N 3.13Å; Y437-G440 PolarHBondContact O-N 3.19Å; G440-E442 PolarHBondContact O-N 3.48Å
441E89.6Confident93.7Very high101 Ų10154.4 Ų54.447%0.47228%0.276SS..THydrogen-bonded Turntrans-83.48.8172.7-62.7-59.712900112.9Y437 I439 L443 Y487Y437-E441 HydrophobicContact CD1-CG 4.44Å; Y437-E441 HydrophobicContact CD2-CG 4.21Å; Y437-E441 HydrophobicContact CE1-CG 4.25Å; Y437-E441 HydrophobicContact CE2-CG 4Å; Y437-E441 HydrophobicContact CG-CG 4.46Å; Y437-E441 VanDerWaalsContact O-CB 3.31Å; Y437-E441 WeakPolarHBondContact O-CB 3.49Å; Y437-E441 WeakPolarHBondContact O-CG 3.23Å; Y437-E441 PolarHBondContact O-N 2.82Å; I439-E441 VanDerWaalsContact C-N 3.33Å; I439-E441 PolarHBondContact O-N 3.1Å; E441-L443 HydrophobicContact CB-CD1 4.01Å; E441-L443 HydrophobicContact CB-CG 3.94Å; E441-L443 PolarHBondContact O-N 2.81Å; E441-Y487 WeakPolarHBondContact O-CE2 3.37Å
442E93.5Very high93.8Very high138 Ų13853.7 Ų53.765%0.64527%0.273SS*.SBendtrans58.113.2179.4-56.2-174.2169.500115.4I439 G440 T444 Y487I439-E442 WeakPolarHBondContact O-CA 3.49Å; I439-E442 PolarHBondContact O-N 3.12Å; G440-E442 PolarHBondContact O-N 3.48Å; E442-T444 PolarHBondContact O-N 3.17Å; E442-Y487 HydrophobicContact CB-CE2 4.26Å; E442-Y487 PolarHBondContact O-OH 2.92Å
443L94.8Very high93.9Very high0 Ų054 Ų540%028%0.276CS..SBendtrans-66.3-21.8-176.1-65.2171.2000113.6Y437 L438 E441 I476 Y487 Q490 F491 T494 Q495Y437-L443 HydrophobicContact CD1-CD1 4.41Å; Y437-L443 HydrophobicContact CE1-CD1 3.83Å; L438-L443 HydrophobicContact CD2-CD1 4.31Å; L438-L443 PolarHBondContact O-N 3.36Å; E441-L443 HydrophobicContact CB-CD1 4.01Å; E441-L443 HydrophobicContact CB-CG 3.94Å; E441-L443 PolarHBondContact O-N 2.81Å; L443-I476 HydrophobicContact CD1-CD1 4.48Å; L443-I476 HydrophobicContact CD1-CG2 3.92Å; L443-Y487 HydrophobicContact CD2-CD2 4.21Å; L443-Y487 HydrophobicContact CD2-CE2 4.07Å; L443-Q490 HydrophobicContact CD2-CB 3.86Å; L443-F491 WeakPolarHBondContact O-CD2 3.24Å; L443-F491 WeakPolarHBondContact O-CE2 3.31Å; L443-T494 HydrophobicContact CB-CG2 4.15Å; L443-Q495 PolarHBondContact O-NE2 2.81Å; L443-Q495 VanDerWaalsContact O-NE2 3.09Å
444T96.5Very high93.9Very high5 Ų554.1 Ų54.13%0.03128%0.278CS..  trans-158.6-175177.1-161.90000112.3L438 I439 E442 H448 L449 Q495 L498L438-T444 HydrophobicContact CB-CG2 3.89Å; L438-T444 PolarHBondContact O-N 3.39Å; I439-T444 HydrophobicContact CD1-CG2 3.84Å; I439-T444 VanDerWaalsContact CD1-O 3.24Å; I439-T444 WeakPolarHBondContact CD1-O 3.48Å; E442-T444 PolarHBondContact O-N 3.17Å; T444-H448 WeakPolarHBondContact OG1-CB 3.46Å; T444-L449 HydrophobicContact CG2-CD1 3.85Å; T444-L449 HydrophobicContact CG2-CD2 3.83Å; T444-L449 HydrophobicContact CG2-CG 3.7Å; T444-Q495 PolarHBondContact OG1-NE2 2.86Å; T444-L498 HydrophobicContact CG2-CD1 4.34Å; T444-L498 VanDerWaalsContact OG1-CD1 3.28Å; T444-L498 WeakPolarHBondContact OG1-CD1 3.46Å
445T95.6Very high93.9Very high69 Ų6957.6 Ų57.642%0.42330%0.299SS..  trans-123.2158.2175.371.50000111.3I439 N447 H448 L449I439-T445 VanDerWaalsContact CD1-C 3.43Å; T445-N447 PolarHBondContact O-N 3.34Å; T445-N447 VanDerWaalsContact O-N 3.12Å; T445-H448 PolarHBondContact O-N 2.78Å; T445-H448 PolarHBondContact OG1-ND1 3.24Å; T445-L449 PolarHBondContact O-N 2.96Å
446L94.1Very high93.9Very high98 Ų9863.1 Ų63.151%0.51332%0.324SS..Hα-helixtrans-54.2-34177.8-75.5172.8000113I435 I439 H448 L449 Y450 L453I435-L446 HydrophobicContact CD1-CD2 4.26Å; I435-L446 HydrophobicContact CG1-CD2 4.17Å; I435-L446 HydrophobicContact CG2-CD2 4.12Å; I439-L446 HydrophobicContact CD1-CG 4.5Å; I439-L446 HydrophobicContact CG1-CD2 4.36Å; I439-L446 HydrophobicContact CG1-CG 4.49Å; L446-H448 VanDerWaalsContact C-N 3.3Å; L446-H448 PolarHBondContact O-N 3.37Å; L446-L449 CarbonylContact O-C 3.56Å; L446-L449 PolarHBondContact O-N 3.4Å; L446-L449 VanDerWaalsContact O-N 3.13Å; L446-Y450 PolarHBondContact O-N 2.77Å; L446-L453 HydrophobicContact CD2-CD1 4.23Å
447N94.6Very high94Very high143 Ų14361.6 Ų61.677%0.76532%0.317SS*.Hα-helixtrans-61.7-38.2177.4-71.2-14.7000112.3T445 L449 Y450T445-N447 PolarHBondContact O-N 3.34Å; T445-N447 VanDerWaalsContact O-N 3.12Å; N447-L449 VanDerWaalsContact C-N 3.34Å; N447-Y450 WeakPolarHBondContact O-CB 3.4Å
448H94.1Very high94.2Very high96 Ų9664.5 Ų64.544%0.44434%0.335SS..Hα-helixtrans-75.3-27.1177-63.3104000111.9T444 T445 L446 L498T444-H448 WeakPolarHBondContact OG1-CB 3.46Å; T445-H448 PolarHBondContact O-N 2.78Å; T445-H448 PolarHBondContact OG1-ND1 3.24Å; L446-H448 VanDerWaalsContact C-N 3.3Å; L446-H448 PolarHBondContact O-N 3.37Å; H448-L498 HydrophobicContact CB-CD1 4.25Å
449L96.5Very high94.3Very high0 Ų066.1 Ų66.10%034%0.343CS..Hα-helixtrans-82.6-12.5176.1-63.2-178.1000114.1I435 L438 I439 T444 T445 L446 N447 Y451 Y452 L453 L469 L498I435-L449 HydrophobicContact CG1-CD1 4.49Å; L438-L449 HydrophobicContact CB-CD1 4.36Å; L438-L449 HydrophobicContact CD1-CD1 4.41Å; L438-L449 HydrophobicContact CD1-CD2 4Å; I439-L449 HydrophobicContact CD1-CD1 3.82Å; I439-L449 HydrophobicContact CG1-CD1 4.12Å; T444-L449 HydrophobicContact CG2-CD1 3.85Å; T444-L449 HydrophobicContact CG2-CD2 3.83Å; T444-L449 HydrophobicContact CG2-CG 3.7Å; T445-L449 PolarHBondContact O-N 2.96Å; L446-L449 CarbonylContact O-C 3.56Å; L446-L449 PolarHBondContact O-N 3.4Å; L446-L449 VanDerWaalsContact O-N 3.13Å; N447-L449 VanDerWaalsContact C-N 3.34Å; L449-Y451 VanDerWaalsContact C-N 3.27Å; L449-Y451 PolarHBondContact O-N 2.96Å; L449-Y451 VanDerWaalsContact O-N 3.1Å; L449-Y452 PolarHBondContact O-N 3.33Å; L449-L453 HydrophobicContact CB-CD1 3.5Å; L449-L453 VanDerWaalsContact CB-CD1 3.5Å; L449-L453 HydrophobicContact CB-CG 3.96Å; L449-L453 HydrophobicContact CD1-CD1 4.25Å; L449-L453 WeakPolarHBondContact O-CG 3.35Å; L449-L453 PolarHBondContact O-N 3.46Å; L449-L469 HydrophobicContact CD2-CD2 3.88Å; L449-L498 HydrophobicContact CD2-CD2 3.85Å
450Y95Very high94.3Very high140 Ų14065.5 Ų65.555%0.54934%0.339SS..Hα-helixtrans-47.4-45.2-175.3177.5-96.4000114L446 N447 Y452 L453 S454L446-Y450 PolarHBondContact O-N 2.77Å; N447-Y450 WeakPolarHBondContact O-CB 3.4Å; Y450-Y452 VanDerWaalsContact C-N 3.31Å; Y450-Y452 PolarHBondContact O-N 3.42Å; Y450-L453 PolarHBondContact O-N 3.35Å; Y450-S454 PolarHBondContact O-N 2.95Å
451Y96.1Very high94.6Very high46 Ų4665.4 Ų65.418%0.1833%0.325CS..Hα-helixtrans-56.9-46.2177.8165.4-103.9000111.7L449 R465 K468 K502L449-Y451 VanDerWaalsContact C-N 3.27Å; L449-Y451 PolarHBondContact O-N 2.96Å; L449-Y451 VanDerWaalsContact O-N 3.1Å; Y451-R465 HydrophobicContact CE1-CG 4.3Å; Y451-R465 WeakPolarHBondContact O-CD 3.23Å; Y451-R465 PolarHBondContact O-NH1 2.81Å; Y451-K468 PolarHBondContact OH-NZ 3.27Å; Y451-K502 HydrophobicContact CD1-CB 4.36Å; Y451-K502 HydrophobicContact CD1-CG 4.13Å; Y451-K502 HydrophobicContact CD2-CG 4.48Å; Y451-K502 HydrophobicContact CG-CG 4.1Å
452Y96.8Very high94.9Very high2 Ų261.2 Ų61.21%0.00831%0.306CS..Hα-helixtrans-75.8-30.8-175.3-59.8-86.1000113.3L449 Y450 K468 L469 L498 Y501 K502L449-Y452 PolarHBondContact O-N 3.33Å; Y450-Y452 VanDerWaalsContact C-N 3.31Å; Y450-Y452 PolarHBondContact O-N 3.42Å; Y452-K468 HydrophobicContact CD1-CB 4.35Å; Y452-K468 HydrophobicContact CE1-CB 3.96Å; Y452-K468 HydrophobicContact CE1-CD 4.49Å; Y452-L469 VanDerWaalsContact CB-CD1 3.48Å; Y452-L469 HydrophobicContact CD1-CD2 3.76Å; Y452-L469 HydrophobicContact CD1-CG 3.68Å; Y452-L469 HydrophobicContact CD2-CD2 3.9Å; Y452-L469 HydrophobicContact CE1-CD2 4.24Å; Y452-L469 HydrophobicContact CE1-CG 4.47Å; Y452-L469 HydrophobicContact CE2-CD2 4.39Å; Y452-L469 HydrophobicContact CG-CD1 4.14Å; Y452-L469 HydrophobicContact CG-CD2 3.56Å; Y452-L469 HydrophobicContact CG-CG 3.68Å; Y452-L498 HydrophobicContact CD2-CD2 4.02Å; Y452-L498 HydrophobicContact CE2-CD2 3.44Å; Y452-L498 VanDerWaalsContact CE2-CD2 3.44Å; Y452-L498 WeakPolarHBondContact OH-CA 3.42Å; Y452-L498 PolarHBondContact OH-O 2.96Å; Y452-Y501 VanDerWaalsContact OH-CB 3.31Å; Y452-Y501 WeakPolarHBondContact OH-CB 3.47Å; Y452-K502 PolarHBondContact OH-N 3.09Å
453L94.7Very high95.1Very high28 Ų2854.9 Ų54.915%0.14728%0.276CS..Hα-helixtrans-91.6-7.8-176.3-58.1174.6000113.3R431 I435 L446 L449 Y450 T455 L469R431-L453 HydrophobicContact CB-CD2 3.97Å; R431-L453 HydrophobicContact CG-CD2 3.79Å; R431-L453 PolarHBondContact NE-O 3.1Å; I435-L453 HydrophobicContact CD1-CD1 3.69Å; I435-L453 HydrophobicContact CD1-CD2 4.18Å; I435-L453 HydrophobicContact CG1-CD1 3.69Å; I435-L453 HydrophobicContact CG1-CD2 4.13Å; L446-L453 HydrophobicContact CD2-CD1 4.23Å; L449-L453 HydrophobicContact CB-CD1 3.5Å; L449-L453 VanDerWaalsContact CB-CD1 3.5Å; L449-L453 HydrophobicContact CB-CG 3.96Å; L449-L453 HydrophobicContact CD1-CD1 4.25Å; L449-L453 WeakPolarHBondContact O-CG 3.35Å; L449-L453 PolarHBondContact O-N 3.46Å; Y450-L453 PolarHBondContact O-N 3.35Å; L453-T455 PolarHBondContact O-N 3.32Å; L453-L469 HydrophobicContact CD2-CD1 4.22Å
454S93.6Very high95.2Very high13 Ų1358.5 Ų58.59%0.09130%0.295CS..  trans-58.4130.5-177.8177.20000112.4Y450 E456Y450-S454 PolarHBondContact O-N 2.95Å; S454-E456 PolarHBondContact OG-N 3.16Å
455T93.3Very high95.2Very high72 Ų7259.5 Ų59.544%0.44230%0.298SS..  trans-985.1175.158.80000112.8L453 V457 Q462L453-T455 PolarHBondContact O-N 3.32Å; T455-V457 VanDerWaalsContact C-N 3.32Å; T455-Q462 PolarHBondContact O-NE2 3.37Å
456E92.9Very high95.3Very high161 Ų16156.2 Ų56.275%0.75228%0.278SS*.SBendtrans-80.1-16.4-176.3-61.3-177.6160.100113S454S454-E456 PolarHBondContact OG-N 3.16Å
457V94.8Very high95.4Very high42 Ų4255 Ų5526%0.25527%0.266SS..SBendtrans-92.3168.3176.8-61.10000111.1T455 E461 Q462T455-V457 VanDerWaalsContact C-N 3.32Å; V457-E461 HydrophobicContact CB-CB 4.2Å; V457-E461 HydrophobicContact CB-CG 3.9Å; V457-E461 HydrophobicContact CG1-CG 4.39Å; V457-E461 HydrophobicContact CG2-CB 4.01Å; V457-E461 HydrophobicContact CG2-CG 3.65Å; V457-Q462 HydrophobicContact CG2-CG 3.69Å; V457-Q462 PolarHBondContact O-NE2 2.96Å
458D94.6Very high95.5Very high97 Ų9748.7 Ų48.752%0.51923%0.232SC..  trans-66.2160178.369.890.9000112.3Q460 E461 Q462D458-Q460 PolarHBondContact O-N 2.85Å; D458-Q460 WeakPolarHBondContact OD1-CA 3.47Å; D458-Q460 WeakPolarHBondContact OD1-CB 3.47Å; D458-Q460 PolarHBondContact OD1-N 3.41Å; D458-E461 PolarHBondContact O-N 2.91Å; D458-E461 PolarHBondContact OD1-N 3.48Å; D458-E461 VanDerWaalsContact OD1-N 3.08Å; D458-E461 WeakPolarHBondContact OD2-CB 3.37Å; D458-Q462 WeakPolarHBondContact O-CG 2.81Å; D458-Q462 PolarHBondContact O-N 3.48Å
459L94.9Very high95.7Very high33 Ų3344.1 Ų44.117%0.17321%0.211CC..Hα-helixtrans-60.5-30.4-174.7-63.9173.9000113.2T420 L423 E424 L427 Q462 V463T420-L459 HydrophobicContact CG2-CD1 3.79Å; L423-L459 HydrophobicContact CD2-CB 3.89Å; L423-L459 HydrophobicContact CD2-CD1 4.08Å; E424-L459 HydrophobicContact CG-CD1 4.43Å; E424-L459 HydrophobicContact CG-CD2 4.04Å; L427-L459 HydrophobicContact CD1-CB 4.47Å; L427-L459 HydrophobicContact CD1-CD2 3.63Å; L459-Q462 PolarHBondContact O-N 3.33Å; L459-V463 WeakPolarHBondContact O-CG2 3.45Å; L459-V463 PolarHBondContact O-N 3.16Å
460Q94.8Very high95.7Very high41 Ų4144.1 Ų44.119%0.19221%0.211CC..Hα-helixtrans-69.6-46.9179.8-52.3-60.7-35.300110.3A280 D458 Q462 V463 I464A280-Q460 PolarHBondContact O-NE2 2.96Å; A280-Q460 PolarHBondContact O-OE1 2.59Å; D458-Q460 PolarHBondContact O-N 2.85Å; D458-Q460 WeakPolarHBondContact OD1-CA 3.47Å; D458-Q460 WeakPolarHBondContact OD1-CB 3.47Å; D458-Q460 PolarHBondContact OD1-N 3.41Å; Q460-Q462 VanDerWaalsContact C-N 3.29Å; Q460-Q462 PolarHBondContact O-N 2.95Å; Q460-V463 PolarHBondContact O-N 3.11Å; Q460-V463 VanDerWaalsContact O-N 3.15Å; Q460-I464 WeakPolarHBondContact O-CG1 3.38Å; Q460-I464 PolarHBondContact O-N 2.82Å
461E95.7Very high95.7Very high49 Ų4937.5 Ų37.523%0.22919%0.185CC..Hα-helixtrans-62.7-36.7174.617660.6-16900111.6V457 D458 V463 I464 R465V457-E461 HydrophobicContact CB-CB 4.2Å; V457-E461 HydrophobicContact CB-CG 3.9Å; V457-E461 HydrophobicContact CG1-CG 4.39Å; V457-E461 HydrophobicContact CG2-CB 4.01Å; V457-E461 HydrophobicContact CG2-CG 3.65Å; D458-E461 PolarHBondContact O-N 2.91Å; D458-E461 PolarHBondContact OD1-N 3.48Å; D458-E461 VanDerWaalsContact OD1-N 3.08Å; D458-E461 WeakPolarHBondContact OD2-CB 3.37Å; E461-V463 VanDerWaalsContact C-N 3.32Å; E461-V463 PolarHBondContact O-N 3.05Å; E461-I464 PolarHBondContact O-N 2.78Å; E461-R465 VanDerWaalsContact O-CG 3.32Å; E461-R465 WeakPolarHBondContact O-CG 3.49Å; E461-R465 PolarHBondContact O-N 2.95Å; E461-R465 IonicContact OE1-CZ 2.94Å; E461-R465 IonicContact OE1-NE 3.34Å; E461-R465 PolarHBondContact OE1-NE 3.08Å; E461-R465 IonicContact OE1-NH2 2.67Å; E461-R465 PolarHBondContact OE1-NH2 2.89Å; E461-R465 VanDerWaalsContact OE1-NH2 3.17Å
462Q97.1Very high95.7Very high13 Ų1335.4 Ų35.46%0.06118%0.177CC..Hα-helixtrans-59.2-42.4173.1-6617632.500111.6L427 R431 T455 V457 D458 L459 Q460 R465 L466L427-Q462 HydrophobicContact CD1-CB 4.17Å; L427-Q462 HydrophobicContact CD2-CB 3.87Å; R431-Q462 VanDerWaalsContact NH2-CD 3.33Å; T455-Q462 PolarHBondContact O-NE2 3.37Å; V457-Q462 HydrophobicContact CG2-CG 3.69Å; V457-Q462 PolarHBondContact O-NE2 2.96Å; D458-Q462 WeakPolarHBondContact O-CG 2.81Å; D458-Q462 PolarHBondContact O-N 3.48Å; L459-Q462 PolarHBondContact O-N 3.33Å; Q460-Q462 VanDerWaalsContact C-N 3.29Å; Q460-Q462 PolarHBondContact O-N 2.95Å; Q462-R465 PolarHBondContact O-N 3.26Å; Q462-L466 PolarHBondContact O-N 3.21Å
463V97.3Very high95.6Very high5 Ų535.3 Ų35.33%0.0318%0.176CC..Hα-helixtrans-66.5-43.1176.6172.70000111.7L276 Q277 A280 L423 L427 L459 Q460 E461 R465 L466 R467L276-V463 HydrophobicContact CD2-CG2 3.97Å; L276-V463 HydrophobicContact CG-CG2 4.02Å; Q277-V463 HydrophobicContact CB-CG1 4.44Å; Q277-V463 HydrophobicContact CG-CG1 3.62Å; A280-V463 HydrophobicContact CB-CB 4.28Å; A280-V463 HydrophobicContact CB-CG1 4.31Å; A280-V463 HydrophobicContact CB-CG2 3.89Å; L423-V463 HydrophobicContact CD1-CG2 3.91Å; L427-V463 HydrophobicContact CD1-CG2 4.46Å; L427-V463 HydrophobicContact CD2-CG2 3.83Å; L427-V463 HydrophobicContact CG-CG2 4.35Å; L459-V463 WeakPolarHBondContact O-CG2 3.45Å; L459-V463 PolarHBondContact O-N 3.16Å; Q460-V463 PolarHBondContact O-N 3.11Å; Q460-V463 VanDerWaalsContact O-N 3.15Å; E461-V463 VanDerWaalsContact C-N 3.32Å; E461-V463 PolarHBondContact O-N 3.05Å; V463-R465 VanDerWaalsContact C-N 3.27Å; V463-R465 PolarHBondContact O-N 3.14Å; V463-L466 PolarHBondContact O-N 3.12Å; V463-R467 PolarHBondContact O-N 2.81Å
464I96.4Very high95.5Very high76 Ų7634 Ų3439%0.3917%0.17SC..Hα-helixtrans-59.7-40.3176.4-67.4167.3000110.8Q460 E461 R467 K468Q460-I464 WeakPolarHBondContact O-CG1 3.38Å; Q460-I464 PolarHBondContact O-N 2.82Å; E461-I464 PolarHBondContact O-N 2.78Å; I464-R467 WeakPolarHBondContact O-CB 3.33Å; I464-R467 PolarHBondContact O-N 3.39Å; I464-K468 PolarHBondContact O-N 2.76Å
465R97.4Very high95.6Very high26 Ų2633.4 Ų33.410%0.09817%0.166CC..Hα-helixtrans-66.6-39.5176.3-72.3177.5-174-171.69.7112.8Y451 E461 Q462 V463 R467 K468 L469Y451-R465 HydrophobicContact CE1-CG 4.3Å; Y451-R465 WeakPolarHBondContact O-CD 3.23Å; Y451-R465 PolarHBondContact O-NH1 2.81Å; E461-R465 VanDerWaalsContact O-CG 3.32Å; E461-R465 WeakPolarHBondContact O-CG 3.49Å; E461-R465 PolarHBondContact O-N 2.95Å; E461-R465 IonicContact OE1-CZ 2.94Å; E461-R465 IonicContact OE1-NE 3.34Å; E461-R465 PolarHBondContact OE1-NE 3.08Å; E461-R465 IonicContact OE1-NH2 2.67Å; E461-R465 PolarHBondContact OE1-NH2 2.89Å; E461-R465 VanDerWaalsContact OE1-NH2 3.17Å; Q462-R465 PolarHBondContact O-N 3.26Å; V463-R465 VanDerWaalsContact C-N 3.27Å; V463-R465 PolarHBondContact O-N 3.14Å; R465-R467 VanDerWaalsContact C-N 3.31Å; R465-K468 WeakPolarHBondContact O-CB 3.34Å; R465-K468 PolarHBondContact O-N 2.9Å; R465-L469 PolarHBondContact O-N 3.08Å; R465-L469 VanDerWaalsContact O-N 3.07Å
466L96.9Very high95.6Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-65.3-36171.9-71.9-164.5000112.1L273 L276 L427 M430 R431 Y434 Q462 V463 K468 L469 H470L273-L466 HydrophobicContact CD1-CB 4.19Å; L276-L466 HydrophobicContact CD2-CD1 4.1Å; L427-L466 HydrophobicContact CD2-CD1 3.68Å; L427-L466 HydrophobicContact CD2-CG 4.25Å; M430-L466 HydrophobicContact CB-CD1 3.71Å; R431-L466 HydrophobicContact CG-CD1 4.45Å; R431-L466 HydrophobicContact CG-CD2 3.91Å; Y434-L466 HydrophobicContact CD2-CD2 3.9Å; Y434-L466 HydrophobicContact CE2-CB 4.31Å; Y434-L466 HydrophobicContact CE2-CD1 4.49Å; Y434-L466 HydrophobicContact CE2-CD2 4.13Å; Q462-L466 PolarHBondContact O-N 3.21Å; V463-L466 PolarHBondContact O-N 3.12Å; L466-K468 VanDerWaalsContact C-N 3.33Å; L466-K468 PolarHBondContact O-N 2.65Å; L466-L469 HydrophobicContact CD2-CD1 4.11Å; L466-L469 PolarHBondContact O-N 3.29Å; L466-L469 VanDerWaalsContact O-N 3.17Å; L466-H470 WeakPolarHBondContact O-CB 3.2Å; L466-H470 PolarHBondContact O-N 2.95Å
467R96.6Very high95.5Very high72 Ų7222.7 Ų22.727%0.27211%0.111SC..Hα-helixtrans-61.4-41.8174-171-176.8175.7173.4-8.4112L273 V463 I464 R465 L469 H470 H471 Y506 E508L273-R467 HydrophobicContact CD2-CB 4.13Å; L273-R467 HydrophobicContact CD2-CG 4.11Å; V463-R467 PolarHBondContact O-N 2.81Å; I464-R467 WeakPolarHBondContact O-CB 3.33Å; I464-R467 PolarHBondContact O-N 3.39Å; R465-R467 VanDerWaalsContact C-N 3.31Å; R467-L469 PolarHBondContact O-N 3.47Å; R467-H470 WeakPolarHBondContact O-CB 3.29Å; R467-H470 PolarHBondContact O-N 2.94Å; R467-H471 PolarHBondContact O-N 2.8Å; R467-Y506 HydrophobicContact CB-CE2 4.46Å; R467-Y506 HydrophobicContact CG-CD2 4.15Å; R467-Y506 HydrophobicContact CG-CE1 4.4Å; R467-Y506 HydrophobicContact CG-CE2 3.63Å; R467-Y506 PolarHBondContact NE-OH 3.37Å; R467-Y506 VanDerWaalsContact NE-OH 3.16Å; R467-E508 IonicContact CZ-OE1 3.36Å; R467-E508 IonicContact NH2-OE1 2.66Å; R467-E508 PolarHBondContact NH2-OE1 3.43Å
468K97.4Very high95.2Very high11 Ų1121 Ų215%0.04810%0.101CC..Hα-helixtrans-60.3-42.3171.8-71.1168.5163.3-166.50112.6Y451 Y452 I464 R465 L466 L472 Y501 S504 Y506Y451-K468 PolarHBondContact OH-NZ 3.27Å; Y452-K468 HydrophobicContact CD1-CB 4.35Å; Y452-K468 HydrophobicContact CE1-CB 3.96Å; Y452-K468 HydrophobicContact CE1-CD 4.49Å; I464-K468 PolarHBondContact O-N 2.76Å; R465-K468 WeakPolarHBondContact O-CB 3.34Å; R465-K468 PolarHBondContact O-N 2.9Å; L466-K468 VanDerWaalsContact C-N 3.33Å; L466-K468 PolarHBondContact O-N 2.65Å; K468-L472 WeakPolarHBondContact O-CB 3.21Å; K468-L472 PolarHBondContact O-N 2.85Å; K468-L472 VanDerWaalsContact O-N 3.13Å; K468-Y501 HydrophobicContact CB-CD1 4.36Å; K468-Y501 HydrophobicContact CB-CG 4.05Å; K468-Y501 HydrophobicContact CD-CD1 4.32Å; K468-Y501 HydrophobicContact CD-CG 4.45Å; K468-Y501 HydrophobicContact CG-CD1 3.9Å; K468-Y501 HydrophobicContact CG-CG 4.07Å; K468-Y501 PolarHBondContact NZ-O 2.73Å; K468-S504 WeakPolarHBondContact CE-O 3.37Å; K468-S504 PolarHBondContact NZ-O 3.41Å; K468-Y506 HydrophobicContact CG-CD2 3.81Å
469L96.8Very high95Very high0 Ų016.4 Ų16.40%08%0.076CC..Hα-helixtrans-65.2-39.8175.5-78.2-176.7000112.4Y434 L438 L449 Y452 L453 R465 L466 R467 L472 L473 L498Y434-L469 HydrophobicContact CD1-CB 4.41Å; Y434-L469 HydrophobicContact CD2-CB 4.46Å; Y434-L469 HydrophobicContact CD2-CD1 4.43Å; Y434-L469 HydrophobicContact CG-CB 4.34Å; Y434-L469 HydrophobicContact CG-CD1 4.39Å; L438-L469 HydrophobicContact CD1-CD2 4.23Å; L449-L469 HydrophobicContact CD2-CD2 3.88Å; Y452-L469 VanDerWaalsContact CB-CD1 3.48Å; Y452-L469 HydrophobicContact CD1-CD2 3.76Å; Y452-L469 HydrophobicContact CD1-CG 3.68Å; Y452-L469 HydrophobicContact CD2-CD2 3.9Å; Y452-L469 HydrophobicContact CE1-CD2 4.24Å; Y452-L469 HydrophobicContact CE1-CG 4.47Å; Y452-L469 HydrophobicContact CE2-CD2 4.39Å; Y452-L469 HydrophobicContact CG-CD1 4.14Å; Y452-L469 HydrophobicContact CG-CD2 3.56Å; Y452-L469 HydrophobicContact CG-CG 3.68Å; L453-L469 HydrophobicContact CD2-CD1 4.22Å; R465-L469 PolarHBondContact O-N 3.08Å; R465-L469 VanDerWaalsContact O-N 3.07Å; L466-L469 HydrophobicContact CD2-CD1 4.11Å; L466-L469 PolarHBondContact O-N 3.29Å; L466-L469 VanDerWaalsContact O-N 3.17Å; R467-L469 PolarHBondContact O-N 3.47Å; L469-L472 WeakPolarHBondContact O-CB 3.37Å; L469-L472 PolarHBondContact O-N 2.8Å; L469-L473 WeakPolarHBondContact O-CB 3.36Å; L469-L473 PolarHBondContact O-N 2.92Å; L469-L498 HydrophobicContact CD2-CD2 4.04Å
470H96.4Very high94.8Very high0 Ų015.7 Ų15.70%08%0.077CC..Hα-helixtrans-61.7-49178-170.774.2000111.7Y270 L273 Y434 L466 R467 L472 L473 E474Y270-H470 VanDerWaalsContact CA-CE1 3.49Å; Y270-H470 WeakPolarHBondContact CA-CE1 3.3Å; Y270-H470 WeakPolarHBondContact CA-NE2 3.32Å; Y270-H470 VanDerWaalsContact CB-NE2 3.33Å; Y270-H470 WeakPolarHBondContact CB-NE2 3.39Å; Y270-H470 AromaticContact CD2-NE2 3.79Å; Y270-H470 PolarHBondContact N-CE1 2.84Å; Y270-H470 VanDerWaalsContact N-CE1 3.28Å; L273-H470 HydrophobicContact CD2-CB 3.52Å; Y434-H470 HydrophobicContact CE1-CB 4.11Å; Y434-H470 AromaticContact CE1-ND1 3.88Å; Y434-H470 AromaticContact CZ-ND1 3.81Å; Y434-H470 VanDerWaalsContact OH-CB 3.23Å; Y434-H470 WeakPolarHBondContact OH-CB 3.46Å; Y434-H470 PolarHBondContact OH-ND1 3.32Å; L466-H470 WeakPolarHBondContact O-CB 3.2Å; L466-H470 PolarHBondContact O-N 2.95Å; R467-H470 WeakPolarHBondContact O-CB 3.29Å; R467-H470 PolarHBondContact O-N 2.94Å; H470-L472 VanDerWaalsContact C-N 3.32Å; H470-L472 PolarHBondContact O-N 2.95Å; H470-L473 CarbonylContact O-C 3.59Å; H470-L473 WeakPolarHBondContact O-CA 3.41Å; H470-L473 WeakPolarHBondContact O-CB 3.23Å; H470-L473 PolarHBondContact O-N 3.14Å; H470-E474 IonicContact CD2-OE2 3.19Å; H470-E474 IonicContact NE2-OE2 3.78Å; H470-E474 PolarHBondContact NE2-OE2 2.89Å; H470-E474 PolarHBondContact O-N 2.79Å
471H96.4Very high94.4Very high1 Ų116.2 Ų16.21%0.0058%0.083CC..Hα-helixtrans-61.7-41.9179.1-179-147.6000112.2V257 C259 R467 L473 E474 I475 Y501 Y506V257-H471 PolarHBondContact O-NE2 2.79Å; C259-H471 VanDerWaalsContact SG-CB 3.57Å; C259-H471 PolarHBondContact SG-CD2 2.89Å; R467-H471 PolarHBondContact O-N 2.8Å; H471-L473 VanDerWaalsContact C-N 3.31Å; H471-L473 PolarHBondContact O-N 2.82Å; H471-E474 PolarHBondContact O-N 2.8Å; H471-I475 VanDerWaalsContact O-CG1 3.31Å; H471-I475 WeakPolarHBondContact O-CG1 3.37Å; H471-I475 PolarHBondContact O-N 3.06Å; H471-Y501 AromaticContact CE1-CZ 3.98Å; H471-Y501 PolarHBondContact CE1-OH 3.28Å; H471-Y501 AromaticContact ND1-CE2 3.81Å; H471-Y501 AromaticContact ND1-CZ 3.4Å; H471-Y501 PolarHBondContact ND1-OH 3.1Å; H471-Y506 HydrophobicContact CB-CE2 3.81Å
472L96.1Very high93.9Very high1 Ų118 Ų181%0.0059%0.09CC..Hα-helixtrans-56.3-45.2169.9170.6156000112L438 K468 L469 H470 E474 I475 I476 T494 C497 L498L438-L472 HydrophobicContact CD1-CD2 4.27Å; L438-L472 HydrophobicContact CD2-CD2 3.82Å; K468-L472 WeakPolarHBondContact O-CB 3.21Å; K468-L472 PolarHBondContact O-N 2.85Å; K468-L472 VanDerWaalsContact O-N 3.13Å; L469-L472 WeakPolarHBondContact O-CB 3.37Å; L469-L472 PolarHBondContact O-N 2.8Å; H470-L472 VanDerWaalsContact C-N 3.32Å; H470-L472 PolarHBondContact O-N 2.95Å; L472-E474 VanDerWaalsContact C-N 3.34Å; L472-I475 WeakPolarHBondContact O-CB 3.3Å; L472-I475 PolarHBondContact O-N 2.91Å; L472-I476 HydrophobicContact CD2-CD1 3.36Å; L472-I476 HydrophobicContact CG-CD1 3.99Å; L472-I476 WeakPolarHBondContact O-CD1 3.37Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.38Å; L472-I476 PolarHBondContact O-N 3.14Å; L472-T494 HydrophobicContact CD2-CG2 4.41Å; L472-C497 HydrophobicContact CB-CB 4.09Å; L472-C497 HydrophobicContact CD1-CB 3.36Å; L472-C497 HydrophobicContact CG-CB 3.64Å; L472-L498 HydrophobicContact CD1-CB 4.35Å; L472-L498 HydrophobicContact CD1-CD2 3.57Å; L472-L498 HydrophobicContact CD1-CG 3.58Å
473L94.1Very high93.5Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-64.7-42.5-179.717860.9000110.7M266 M269 Y434 Y437 L438 L469 H470 H471 I475 I476 V477M266-L473 HydrophobicContact SD-CD2 3.64Å; M266-L473 HydrophobicContact SD-CG 3.67Å; M269-L473 HydrophobicContact CE-CD2 4.25Å; M269-L473 HydrophobicContact SD-CD2 3.73Å; Y434-L473 HydrophobicContact CD1-CD2 3.87Å; Y434-L473 HydrophobicContact CE1-CD2 3.86Å; Y437-L473 HydrophobicContact CD1-CD1 3.12Å; Y437-L473 HydrophobicContact CD1-CG 4.47Å; Y437-L473 HydrophobicContact CE1-CD1 3.18Å; Y437-L473 HydrophobicContact CG-CD1 3.88Å; L438-L473 HydrophobicContact CD2-CD1 4.31Å; L469-L473 WeakPolarHBondContact O-CB 3.36Å; L469-L473 PolarHBondContact O-N 2.92Å; H470-L473 CarbonylContact O-C 3.59Å; H470-L473 WeakPolarHBondContact O-CA 3.41Å; H470-L473 WeakPolarHBondContact O-CB 3.23Å; H470-L473 PolarHBondContact O-N 3.14Å; H471-L473 VanDerWaalsContact C-N 3.31Å; H471-L473 PolarHBondContact O-N 2.82Å; L473-I475 VanDerWaalsContact C-N 3.33Å; L473-I475 PolarHBondContact O-N 2.93Å; L473-I476 PolarHBondContact O-N 2.7Å; L473-V477 HydrophobicContact CD1-CG2 3.8Å; L473-V477 HydrophobicContact CG-CG2 4.2Å; L473-V477 WeakPolarHBondContact O-CB 3.15Å; L473-V477 WeakPolarHBondContact O-CG2 3.45Å; L473-V477 PolarHBondContact O-N 2.85Å
474E92.9Very high93.1Very high1 Ų120.2 Ų20.21%0.00512%0.115CC..Hα-helixtrans-63.5-38.5178-163.8147.2-158.800112V257 C259 S264 M266 H470 H471 L472 T478V257-E474 HydrophobicContact CG1-CB 4.49Å; V257-E474 HydrophobicContact CG1-CG 3.96Å; C259-E474 WeakPolarHBondContact CA-OE2 3.29Å; C259-E474 VanDerWaalsContact CB-OE2 3.27Å; C259-E474 WeakPolarHBondContact CB-OE2 3.31Å; C259-E474 PolarHBondContact SG-OE2 2.87Å; S264-E474 WeakPolarHBondContact CB-OE1 3.3Å; S264-E474 PolarHBondContact OG-OE1 2.77Å; M266-E474 HydrophobicContact CB-CB 4.43Å; M266-E474 HydrophobicContact CB-CG 4.15Å; M266-E474 HydrophobicContact CG-CB 4.12Å; M266-E474 HydrophobicContact CG-CG 4.16Å; H470-E474 IonicContact CD2-OE2 3.19Å; H470-E474 IonicContact NE2-OE2 3.78Å; H470-E474 PolarHBondContact NE2-OE2 2.89Å; H470-E474 PolarHBondContact O-N 2.79Å; H471-E474 PolarHBondContact O-N 2.8Å; L472-E474 VanDerWaalsContact C-N 3.34Å; E474-T478 WeakPolarHBondContact O-CB 3.4Å; E474-T478 PolarHBondContact O-N 3.38Å; E474-T478 PolarHBondContact O-OG1 3.31Å
475I94.6Very high92.9Very high1 Ų116.9 Ų16.91%0.00510%0.098CC..Hα-helixtrans-58.6-50.7170.4-71.6161.9000111.2I255 V257 H471 L472 L473 C479 L493 F512I255-I475 HydrophobicContact CG2-CG2 3.96Å; V257-I475 HydrophobicContact CB-CG1 3.78Å; V257-I475 HydrophobicContact CG2-CG1 4.03Å; H471-I475 VanDerWaalsContact O-CG1 3.31Å; H471-I475 WeakPolarHBondContact O-CG1 3.37Å; H471-I475 PolarHBondContact O-N 3.06Å; L472-I475 WeakPolarHBondContact O-CB 3.3Å; L472-I475 PolarHBondContact O-N 2.91Å; L473-I475 VanDerWaalsContact C-N 3.33Å; L473-I475 PolarHBondContact O-N 2.93Å; I475-C479 WeakPolarHBondContact O-CB 3.41Å; I475-C479 PolarHBondContact O-N 2.82Å; I475-C479 PolarHBondContact O-SG 2.63Å; I475-L493 HydrophobicContact CG2-CD1 4.27Å; I475-L493 HydrophobicContact CG2-CD2 3.82Å; I475-L493 HydrophobicContact CG2-CG 4.12Å; I475-F512 HydrophobicContact CD1-CD2 3.66Å; I475-F512 HydrophobicContact CD1-CE2 3.5Å
476I93.9Very high92.7Very high1 Ų117.7 Ų17.71%0.00511%0.107CC..Hα-helixtrans-66.4-47.8-175.9-65.5159.8000110.6L438 L443 L472 L473 C479 G480 Q490 T494L438-I476 HydrophobicContact CD2-CD1 4.17Å; L443-I476 HydrophobicContact CD1-CD1 4.48Å; L443-I476 HydrophobicContact CD1-CG2 3.92Å; L472-I476 HydrophobicContact CD2-CD1 3.36Å; L472-I476 HydrophobicContact CG-CD1 3.99Å; L472-I476 WeakPolarHBondContact O-CD1 3.37Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.38Å; L472-I476 PolarHBondContact O-N 3.14Å; L473-I476 PolarHBondContact O-N 2.7Å; I476-C479 PolarHBondContact O-N 3.34Å; I476-G480 PolarHBondContact O-N 2.88Å; I476-Q490 HydrophobicContact CG2-CB 4.42Å; I476-T494 HydrophobicContact CD1-CG2 3.85Å; I476-T494 WeakPolarHBondContact CD1-OG1 3.28Å
477V90.6Very high92.6Very high6 Ų622.8 Ų22.84%0.03613%0.127CC..Hα-helixtrans-63.4-46-179.5174.70000109.6P265 M266 Y437 L473 C479 G480 T481P265-V477 HydrophobicContact CB-CG1 4.02Å; P265-V477 HydrophobicContact CG-CG1 4.07Å; M266-V477 HydrophobicContact CE-CB 4.22Å; M266-V477 HydrophobicContact CE-CG1 3.85Å; M266-V477 HydrophobicContact CE-CG2 3.87Å; M266-V477 HydrophobicContact CG-CB 4.3Å; M266-V477 HydrophobicContact CG-CG2 4.39Å; M266-V477 HydrophobicContact SD-CB 4.42Å; M266-V477 HydrophobicContact SD-CG2 3.91Å; Y437-V477 HydrophobicContact CE1-CG2 4.29Å; Y437-V477 WeakPolarHBondContact OH-CG2 3.47Å; L473-V477 HydrophobicContact CD1-CG2 3.8Å; L473-V477 HydrophobicContact CG-CG2 4.2Å; L473-V477 WeakPolarHBondContact O-CB 3.15Å; L473-V477 WeakPolarHBondContact O-CG2 3.45Å; L473-V477 PolarHBondContact O-N 2.85Å; V477-C479 VanDerWaalsContact C-N 3.33Å; V477-C479 PolarHBondContact O-N 3.13Å; V477-G480 PolarHBondContact O-N 3.45Å; V477-G480 VanDerWaalsContact O-N 3.16Å; V477-T481 HydrophobicContact CG1-CG2 3.82Å; V477-T481 WeakPolarHBondContact O-CB 3.32Å; V477-T481 WeakPolarHBondContact O-CG2 3.36Å; V477-T481 PolarHBondContact O-N 3.21Å; V477-T481 PolarHBondContact O-OG1 2.78Å
478T88.8Confident92.5Very high7 Ų722.9 Ų22.94%0.04313%0.133CC..Hα-helixtrans-56.2-48.3176.4-61.50000111.1F213 V257 E474 G480 F482F213-T478 HydrophobicContact CD1-CG2 4.41Å; F213-T478 HydrophobicContact CE1-CG2 4.12Å; F213-T478 HydrophobicContact CZ-CG2 4.35Å; V257-T478 HydrophobicContact CG2-CG2 4.3Å; E474-T478 WeakPolarHBondContact O-CB 3.4Å; E474-T478 PolarHBondContact O-N 3.38Å; E474-T478 PolarHBondContact O-OG1 3.31Å; T478-G480 PolarHBondContact O-N 2.96Å; T478-F482 HydrophobicContact CG2-CD2 3.77Å; T478-F482 HydrophobicContact CG2-CE2 4.26Å; T478-F482 WeakPolarHBondContact O-CB 3.39Å; T478-F482 VanDerWaalsContact O-CD2 3.29Å; T478-F482 WeakPolarHBondContact O-CD2 3.41Å; T478-F482 PolarHBondContact O-N 3.17Å
479C91.1Very high92.4Very high1 Ų125.1 Ų25.11%0.00714%0.141CC..Hα-helixtrans-68.6-36178.8-65.10000112.6I475 I476 V477 L483 G484 L485 L493I475-C479 WeakPolarHBondContact O-CB 3.41Å; I475-C479 PolarHBondContact O-N 2.82Å; I475-C479 PolarHBondContact O-SG 2.63Å; I476-C479 PolarHBondContact O-N 3.34Å; V477-C479 VanDerWaalsContact C-N 3.33Å; V477-C479 PolarHBondContact O-N 3.13Å; C479-L483 WeakPolarHBondContact O-CA 3.05Å; C479-L483 VanDerWaalsContact O-CB 3.28Å; C479-L483 WeakPolarHBondContact O-CB 3.34Å; C479-L483 PolarHBondContact O-N 3.4Å; C479-G484 PolarHBondContact O-N 3.05Å; C479-L485 HydrophobicContact CB-CD1 3.7Å; C479-L485 HydrophobicContact CB-CG 4.21Å; C479-L485 PolarHBondContact O-N 3.18Å; C479-L493 HydrophobicContact CB-CD2 4.16Å
480G90.4Very high92.4Very high18 Ų1826.7 Ų26.719%0.18615%0.148CC..Hα-helixtrans-69.7-44.5179.600000112.7I476 V477 T478 G484I476-G480 PolarHBondContact O-N 2.88Å; V477-G480 PolarHBondContact O-N 3.45Å; V477-G480 VanDerWaalsContact O-N 3.16Å; T478-G480 PolarHBondContact O-N 2.96Å; G480-G484 VanDerWaalsContact O-CA 3.26Å; G480-G484 WeakPolarHBondContact O-CA 3.43Å; G480-G484 PolarHBondContact O-N 3.12Å
481T86.7Confident92.4Very high52 Ų5230.4 Ų30.432%0.31917%0.165SC..Hα-helixtrans-80.4-45.9-17659.70000112.3F339 V477F339-T481 HydrophobicContact CD1-CG2 4.08Å; F339-T481 HydrophobicContact CE1-CG2 3.56Å; F339-T481 HydrophobicContact CZ-CG2 4.48Å; V477-T481 HydrophobicContact CG1-CG2 3.82Å; V477-T481 WeakPolarHBondContact O-CB 3.32Å; V477-T481 WeakPolarHBondContact O-CG2 3.36Å; V477-T481 PolarHBondContact O-N 3.21Å; V477-T481 PolarHBondContact O-OG1 2.78Å
482F84.6Confident92.4Very high87 Ų8733.9 Ų33.938%0.38219%0.186SC..Hα-helixtrans-85.1-40.4-174.8-65.5-73.8000112.7F213 T478 F524F213-F482 HydrophobicContact CD2-CB 4.38Å; F213-F482 HydrophobicContact CD2-CD1 4.35Å; F213-F482 HydrophobicContact CD2-CD2 4.4Å; F213-F482 HydrophobicContact CD2-CG 4.13Å; F213-F482 HydrophobicContact CE2-CD1 4.03Å; F213-F482 AromaticContact CE2-CD2 3.92Å; F213-F482 HydrophobicContact CE2-CD2 3.92Å; F213-F482 HydrophobicContact CE2-CE1 4.09Å; F213-F482 AromaticContact CE2-CE2 3.99Å; F213-F482 HydrophobicContact CE2-CE2 3.99Å; F213-F482 AromaticContact CE2-CG 3.96Å; F213-F482 HydrophobicContact CE2-CG 3.96Å; F213-F482 HydrophobicContact CE2-CZ 4.07Å; F213-F482 HydrophobicContact CZ-CD2 4.38Å; F213-F482 HydrophobicContact CZ-CE2 4.23Å; T478-F482 HydrophobicContact CG2-CD2 3.77Å; T478-F482 HydrophobicContact CG2-CE2 4.26Å; T478-F482 WeakPolarHBondContact O-CB 3.39Å; T478-F482 VanDerWaalsContact O-CD2 3.29Å; T478-F482 WeakPolarHBondContact O-CD2 3.41Å; T478-F482 PolarHBondContact O-N 3.17Å; F482-F524 VanDerWaalsContact O-CZ 3.23Å; F482-F524 WeakPolarHBondContact O-CZ 3.47Å
483L88Confident92.4Very high6 Ų634 Ų343%0.03119%0.186CC..SBendtrans-94-9-179.3-54.6178.1000113.6L212 V229 L253 C479 L485 F524L212-L483 HydrophobicContact CB-CD2 3.79Å; L212-L483 HydrophobicContact CD1-CD1 4.46Å; L212-L483 HydrophobicContact CD1-CD2 4.02Å; V229-L483 HydrophobicContact CG1-CD1 3.85Å; L253-L483 HydrophobicContact CD1-CD1 4.3Å; L253-L483 HydrophobicContact CD2-CD1 4.42Å; C479-L483 WeakPolarHBondContact O-CA 3.05Å; C479-L483 VanDerWaalsContact O-CB 3.28Å; C479-L483 WeakPolarHBondContact O-CB 3.34Å; C479-L483 PolarHBondContact O-N 3.4Å; L483-L485 HydrophobicContact CB-CD2 4.05Å; L483-L485 HydrophobicContact CB-CG 4.05Å; L483-L485 PolarHBondContact O-N 3.35Å; L483-F524 HydrophobicContact CB-CE2 4.31Å; L483-F524 HydrophobicContact CD2-CD2 4.36Å; L483-F524 HydrophobicContact CD2-CE1 4.37Å; L483-F524 HydrophobicContact CD2-CE2 3.88Å; L483-F524 HydrophobicContact CD2-CZ 3.93Å
484G89.4Confident92.6Very high57 Ų5734 Ų3459%0.58819%0.186SC*.  trans60.733.3-176.400000112.6C479 G480C479-G484 PolarHBondContact O-N 3.05Å; G480-G484 VanDerWaalsContact O-CA 3.26Å; G480-G484 WeakPolarHBondContact O-CA 3.43Å; G480-G484 PolarHBondContact O-N 3.12Å
485L91.8Very high92.8Very high6 Ų635.2 Ų35.23%0.03119%0.192CC..  trans-60133.5-176.3-70-165.7000110.8L253 C479 L483 R489 Q490 L514 I516L253-L485 HydrophobicContact CD1-CD1 4.25Å; L253-L485 HydrophobicContact CD1-CD2 4.17Å; C479-L485 HydrophobicContact CB-CD1 3.7Å; C479-L485 HydrophobicContact CB-CG 4.21Å; C479-L485 PolarHBondContact O-N 3.18Å; L483-L485 HydrophobicContact CB-CD2 4.05Å; L483-L485 HydrophobicContact CB-CG 4.05Å; L483-L485 PolarHBondContact O-N 3.35Å; L485-R489 HydrophobicContact CB-CB 4.38Å; L485-R489 HydrophobicContact CD1-CB 4.4Å; L485-Q490 HydrophobicContact CB-CG 4.01Å; L485-Q490 PolarHBondContact O-NE2 3.16Å; L485-L514 HydrophobicContact CD1-CD2 3.89Å; L485-I516 HydrophobicContact CD2-CD1 3.41Å; L485-I516 VanDerWaalsContact CD2-CD1 3.41Å
486P93.5Very high92.9Very high43 Ų4337.6 Ų37.628%0.27921%0.209SC..  trans-69158.4176.129.2-34.8000111.2D488 R489 Q490 L520P486-D488 VanDerWaalsContact C-N 3.29Å; P486-D488 WeakPolarHBondContact CB-OD1 3.39Å; P486-D488 VanDerWaalsContact CG-OD1 3.3Å; P486-D488 WeakPolarHBondContact CG-OD1 3.36Å; P486-D488 PolarHBondContact O-N 2.88Å; P486-R489 HydrophobicContact CG-CB 4.35Å; P486-R489 HydrophobicContact CG-CG 3.82Å; P486-R489 WeakPolarHBondContact O-CB 3.49Å; P486-R489 PolarHBondContact O-N 3.11Å; P486-Q490 PolarHBondContact O-N 2.93Å; P486-Q490 VanDerWaalsContact O-N 3.1Å; P486-L520 HydrophobicContact CG-CD1 3.99Å; P486-L520 HydrophobicContact CG-CD2 4.25Å
487Y94.4Very high93.1Very high108 Ų10837.6 Ų37.642%0.42421%0.209SC..Hα-helixtrans-50.7-42.5-176.7171.4-99.2000113.9E441 E442 L443 R489 Q490 F491E441-Y487 WeakPolarHBondContact O-CE2 3.37Å; E442-Y487 HydrophobicContact CB-CE2 4.26Å; E442-Y487 PolarHBondContact O-OH 2.92Å; L443-Y487 HydrophobicContact CD2-CD2 4.21Å; L443-Y487 HydrophobicContact CD2-CE2 4.07Å; Y487-R489 PolarHBondContact O-N 3.29Å; Y487-Q490 PolarHBondContact O-N 3.43Å; Y487-F491 WeakPolarHBondContact O-CB 3.29Å; Y487-F491 PolarHBondContact O-N 3.32Å
488D94.8Very high93.4Very high74 Ų7437.5 Ų37.540%0.39621%0.208SC..Hα-helixtrans-59.8-33.9-179.969.8-58.3000112.5P486 V492P486-D488 VanDerWaalsContact C-N 3.29Å; P486-D488 WeakPolarHBondContact CB-OD1 3.39Å; P486-D488 VanDerWaalsContact CG-OD1 3.3Å; P486-D488 WeakPolarHBondContact CG-OD1 3.36Å; P486-D488 PolarHBondContact O-N 2.88Å; D488-V492 VanDerWaalsContact O-CG2 3.31Å; D488-V492 WeakPolarHBondContact O-CG2 3.31Å; D488-V492 PolarHBondContact O-N 3.31Å
489R95.4Very high93.7Very high58 Ų5842.1 Ų42.122%0.21923%0.232CC..Hα-helixtrans-78-42.3177.2-61.4-64.4137.4-175.9-9.4111.4L485 P486 Y487 F491 V492 L493 L514 Q515 L520L485-R489 HydrophobicContact CB-CB 4.38Å; L485-R489 HydrophobicContact CD1-CB 4.4Å; P486-R489 HydrophobicContact CG-CB 4.35Å; P486-R489 HydrophobicContact CG-CG 3.82Å; P486-R489 WeakPolarHBondContact O-CB 3.49Å; P486-R489 PolarHBondContact O-N 3.11Å; Y487-R489 PolarHBondContact O-N 3.29Å; R489-F491 VanDerWaalsContact C-N 3.32Å; R489-F491 PolarHBondContact O-N 2.81Å; R489-V492 PolarHBondContact O-N 3.1Å; R489-L493 WeakPolarHBondContact O-CB 3.35Å; R489-L493 PolarHBondContact O-N 3.5Å; R489-L514 HydrophobicContact CB-CD2 4.23Å; R489-Q515 PolarHBondContact NH1-O 3.12Å; R489-L520 HydrophobicContact CG-CD1 4.37Å
490Q95.4Very high94Very high32 Ų3243.8 Ų43.815%0.1524%0.24CC..Hα-helixtrans-61.4-41.8175.9-64.4-174.215.200111.5L443 I476 L485 P486 Y487 L493 T494L443-Q490 HydrophobicContact CD2-CB 3.86Å; I476-Q490 HydrophobicContact CG2-CB 4.42Å; L485-Q490 HydrophobicContact CB-CG 4.01Å; L485-Q490 PolarHBondContact O-NE2 3.16Å; P486-Q490 PolarHBondContact O-N 2.93Å; P486-Q490 VanDerWaalsContact O-N 3.1Å; Y487-Q490 PolarHBondContact O-N 3.43Å; Q490-L493 PolarHBondContact O-N 3.44Å; Q490-T494 WeakPolarHBondContact O-CB 3.41Å; Q490-T494 PolarHBondContact O-N 3.42Å; Q490-T494 PolarHBondContact O-OG1 3.28Å
491F96.6Very high94.2Very high78 Ų7843 Ų4334%0.34223%0.231SC..Hα-helixtrans-59.5-50.5175.5-178.3-92000111.4L443 Y487 R489 L493 T494 Q495L443-F491 WeakPolarHBondContact O-CD2 3.24Å; L443-F491 WeakPolarHBondContact O-CE2 3.31Å; Y487-F491 WeakPolarHBondContact O-CB 3.29Å; Y487-F491 PolarHBondContact O-N 3.32Å; R489-F491 VanDerWaalsContact C-N 3.32Å; R489-F491 PolarHBondContact O-N 2.81Å; F491-L493 VanDerWaalsContact C-N 3.31Å; F491-L493 PolarHBondContact O-N 3.24Å; F491-T494 WeakPolarHBondContact O-CB 3.16Å; F491-T494 PolarHBondContact O-N 2.91Å; F491-Q495 HydrophobicContact CD1-CG 4.17Å; F491-Q495 HydrophobicContact CE1-CG 3.76Å; F491-Q495 HydrophobicContact CE2-CG 4.49Å; F491-Q495 HydrophobicContact CZ-CG 3.94Å; F491-Q495 WeakPolarHBondContact O-CG 3.22Å; F491-Q495 PolarHBondContact O-N 3.02Å
492V96.9Very high94.6Very high75 Ų7546.2 Ų46.246%0.45524%0.241SC..Hα-helixtrans-60.3-41.9178.4171.50000111.6D488 R489 Q495 S496 L514D488-V492 VanDerWaalsContact O-CG2 3.31Å; D488-V492 WeakPolarHBondContact O-CG2 3.31Å; D488-V492 PolarHBondContact O-N 3.31Å; R489-V492 PolarHBondContact O-N 3.1Å; V492-Q495 PolarHBondContact O-N 2.84Å; V492-S496 PolarHBondContact O-N 2.81Å; V492-L514 HydrophobicContact CB-CD1 4.23Å; V492-L514 HydrophobicContact CG1-CD1 3.78Å
493L97.3Very high95Very high2 Ų247.9 Ų47.91%0.0126%0.259CS..Hα-helixtrans-61.6-46.8176-176.758000111.4I255 I475 C479 R489 Q490 F491 Q495 S496 C497 F512 L514I255-L493 HydrophobicContact CD1-CD1 3.9Å; I255-L493 HydrophobicContact CD1-CD2 3.92Å; I475-L493 HydrophobicContact CG2-CD1 4.27Å; I475-L493 HydrophobicContact CG2-CD2 3.82Å; I475-L493 HydrophobicContact CG2-CG 4.12Å; C479-L493 HydrophobicContact CB-CD2 4.16Å; R489-L493 WeakPolarHBondContact O-CB 3.35Å; R489-L493 PolarHBondContact O-N 3.5Å; Q490-L493 PolarHBondContact O-N 3.44Å; F491-L493 VanDerWaalsContact C-N 3.31Å; F491-L493 PolarHBondContact O-N 3.24Å; L493-Q495 VanDerWaalsContact C-N 3.33Å; L493-Q495 PolarHBondContact O-N 2.79Å; L493-S496 WeakPolarHBondContact O-CB 3.49Å; L493-S496 PolarHBondContact O-N 2.82Å; L493-S496 VanDerWaalsContact O-N 3.1Å; L493-C497 PolarHBondContact O-N 2.86Å; L493-C497 PolarHBondContact O-SG 3.29Å; L493-C497 VanDerWaalsContact O-SG 3.34Å; L493-F512 HydrophobicContact CD1-CB 4.28Å; L493-L514 HydrophobicContact CB-CD2 4.22Å; L493-L514 HydrophobicContact CD2-CD2 4.5Å
494T97.6Very high95.3Very high0 Ų049.4 Ų49.40%027%0.27CS..Hα-helixtrans-53.8-50.2175.7-54.70000111L443 L472 I476 Q490 F491 S496 C497 L498L443-T494 HydrophobicContact CB-CG2 4.15Å; L472-T494 HydrophobicContact CD2-CG2 4.41Å; I476-T494 HydrophobicContact CD1-CG2 3.85Å; I476-T494 WeakPolarHBondContact CD1-OG1 3.28Å; Q490-T494 WeakPolarHBondContact O-CB 3.41Å; Q490-T494 PolarHBondContact O-N 3.42Å; Q490-T494 PolarHBondContact O-OG1 3.28Å; F491-T494 WeakPolarHBondContact O-CB 3.16Å; F491-T494 PolarHBondContact O-N 2.91Å; T494-S496 VanDerWaalsContact C-N 3.31Å; T494-S496 PolarHBondContact O-N 3.49Å; T494-C497 PolarHBondContact O-N 3.28Å; T494-L498 HydrophobicContact CG2-CD1 4.03Å; T494-L498 HydrophobicContact CG2-CG 4.4Å; T494-L498 WeakPolarHBondContact O-CG 3.38Å; T494-L498 PolarHBondContact O-N 2.8Å
495Q96.9Very high95.5Very high28 Ų2852.2 Ų52.213%0.13128%0.276CS..Hα-helixtrans-64.7-36.1179.7-61.6-51.7-48.300112L443 T444 F491 V492 L493 N499L443-Q495 PolarHBondContact O-NE2 2.81Å; L443-Q495 VanDerWaalsContact O-NE2 3.09Å; T444-Q495 PolarHBondContact OG1-NE2 2.86Å; F491-Q495 HydrophobicContact CD1-CG 4.17Å; F491-Q495 HydrophobicContact CE1-CG 3.76Å; F491-Q495 HydrophobicContact CE2-CG 4.49Å; F491-Q495 HydrophobicContact CZ-CG 3.94Å; F491-Q495 WeakPolarHBondContact O-CG 3.22Å; F491-Q495 PolarHBondContact O-N 3.02Å; V492-Q495 PolarHBondContact O-N 2.84Å; L493-Q495 VanDerWaalsContact C-N 3.33Å; L493-Q495 PolarHBondContact O-N 2.79Å; Q495-N499 WeakPolarHBondContact O-CB 3.44Å; Q495-N499 VanDerWaalsContact O-CG 3.27Å; Q495-N499 PolarHBondContact O-N 2.8Å; Q495-N499 PolarHBondContact O-ND2 2.83Å
496S96.6Very high95.5Very high51 Ų5154.1 Ų54.136%0.35728%0.283SS..Hα-helixtrans-62.1-47.8174.3-171.50000111.7V492 L493 T494 N499 H500V492-S496 PolarHBondContact O-N 2.81Å; L493-S496 WeakPolarHBondContact O-CB 3.49Å; L493-S496 PolarHBondContact O-N 2.82Å; L493-S496 VanDerWaalsContact O-N 3.1Å; T494-S496 VanDerWaalsContact C-N 3.31Å; T494-S496 PolarHBondContact O-N 3.49Å; S496-N499 PolarHBondContact O-N 3.03Å; S496-H500 WeakPolarHBondContact O-CB 3.49Å; S496-H500 PolarHBondContact O-N 3.29Å
497C97.4Very high95.4Very high0 Ų055.2 Ų55.20%029%0.286CS..Hα-helixtrans-65.1-43.2179-62.40000112L472 L493 T494 N499 H500 Y501 F512L472-C497 HydrophobicContact CB-CB 4.09Å; L472-C497 HydrophobicContact CD1-CB 3.36Å; L472-C497 HydrophobicContact CG-CB 3.64Å; L493-C497 PolarHBondContact O-N 2.86Å; L493-C497 PolarHBondContact O-SG 3.29Å; L493-C497 VanDerWaalsContact O-SG 3.34Å; T494-C497 PolarHBondContact O-N 3.28Å; C497-N499 VanDerWaalsContact C-N 3.35Å; C497-N499 PolarHBondContact O-N 2.97Å; C497-H500 PolarHBondContact O-N 2.93Å; C497-Y501 WeakPolarHBondContact O-CD2 3.46Å; C497-Y501 PolarHBondContact O-N 3.41Å; C497-F512 HydrophobicContact CB-CE1 4.15Å; C497-F512 HydrophobicContact CB-CZ 4.19Å
498L96.9Very high95.2Very high5 Ų551.6 Ų51.63%0.02627%0.273CS..Hα-helixtrans-60.6-42.8175.9-72.4173.8000111.8T444 H448 L449 Y452 L469 L472 T494 K502T444-L498 HydrophobicContact CG2-CD1 4.34Å; T444-L498 VanDerWaalsContact OG1-CD1 3.28Å; T444-L498 WeakPolarHBondContact OG1-CD1 3.46Å; H448-L498 HydrophobicContact CB-CD1 4.25Å; L449-L498 HydrophobicContact CD2-CD2 3.85Å; Y452-L498 HydrophobicContact CD2-CD2 4.02Å; Y452-L498 HydrophobicContact CE2-CD2 3.44Å; Y452-L498 VanDerWaalsContact CE2-CD2 3.44Å; Y452-L498 WeakPolarHBondContact OH-CA 3.42Å; Y452-L498 PolarHBondContact OH-O 2.96Å; L469-L498 HydrophobicContact CD2-CD2 4.04Å; L472-L498 HydrophobicContact CD1-CB 4.35Å; L472-L498 HydrophobicContact CD1-CD2 3.57Å; L472-L498 HydrophobicContact CD1-CG 3.58Å; T494-L498 HydrophobicContact CG2-CD1 4.03Å; T494-L498 HydrophobicContact CG2-CG 4.4Å; T494-L498 WeakPolarHBondContact O-CG 3.38Å; T494-L498 PolarHBondContact O-N 2.8Å; L498-K502 WeakPolarHBondContact O-CB 3.32Å; L498-K502 PolarHBondContact O-N 3Å
499N95.9Very high94.9Very high103 Ų10353.8 Ų53.855%0.55128%0.281SS*.Hα-helixtrans-68.4-40.2179.5-74-39.1000111.9Q495 S496 C497Q495-N499 WeakPolarHBondContact O-CB 3.44Å; Q495-N499 VanDerWaalsContact O-CG 3.27Å; Q495-N499 PolarHBondContact O-N 2.8Å; Q495-N499 PolarHBondContact O-ND2 2.83Å; S496-N499 PolarHBondContact O-N 3.03Å; C497-N499 VanDerWaalsContact C-N 3.35Å; C497-N499 PolarHBondContact O-N 2.97Å
500H96.4Very high94.7Very high37 Ų3753.8 Ų53.817%0.17128%0.284CS..Hα-helixtrans-62.2-56.5177.7179.290000111.7S496 C497 K502 T503 S504 H510 F512S496-H500 WeakPolarHBondContact O-CB 3.49Å; S496-H500 PolarHBondContact O-N 3.29Å; C497-H500 PolarHBondContact O-N 2.93Å; H500-K502 PolarHBondContact O-N 3.16Å; H500-K502 VanDerWaalsContact O-N 3.16Å; H500-T503 PolarHBondContact O-N 3.28Å; H500-T503 VanDerWaalsContact O-N 3.13Å; H500-T503 PolarHBondContact O-OG1 2.64Å; H500-S504 PolarHBondContact CE1-OG 3.32Å; H500-S504 VanDerWaalsContact CE1-OG 3.28Å; H500-S504 VanDerWaalsContact NE2-CB 3.33Å; H500-S504 WeakPolarHBondContact NE2-CB 3.42Å; H500-S504 PolarHBondContact NE2-OG 3.41Å; H500-S504 WeakPolarHBondContact O-CB 3.31Å; H500-S504 PolarHBondContact O-N 3.27Å; H500-S504 PolarHBondContact O-OG 2.92Å; H500-H510 AromaticContact CE1-CD2 3.61Å; H500-H510 AromaticContact CE1-CE1 3.38Å; H500-H510 PolarHBondContact CE1-CE1 3.22Å; H500-H510 AromaticContact CE1-CG 3.61Å; H500-H510 AromaticContact CE1-ND1 3.46Å; H500-H510 PolarHBondContact CE1-ND1 3.39Å; H500-H510 AromaticContact CE1-NE2 3.45Å; H500-H510 PolarHBondContact CE1-NE2 3.4Å; H500-H510 AromaticContact ND1-CD2 3.88Å; H500-H510 AromaticContact ND1-CE1 3.69Å; H500-H510 AromaticContact ND1-NE2 3.43Å; H500-H510 PolarHBondContact ND1-NE2 2.74Å; H500-H510 AromaticContact NE2-CD2 3.89Å; H500-H510 AromaticContact NE2-CG 3.82Å; H500-F512 HydrophobicContact CB-CE1 3.81Å; H500-F512 HydrophobicContact CB-CZ 4.24Å
501Y96.5Very high94.6Very high0 Ų056 Ų560%029%0.294CS..Hα-helixtrans-71.4-12.2-173.5-76.7-52.9000114.5Y452 K468 H471 C497 T503 D507 F512Y452-Y501 VanDerWaalsContact OH-CB 3.31Å; Y452-Y501 WeakPolarHBondContact OH-CB 3.47Å; K468-Y501 HydrophobicContact CB-CD1 4.36Å; K468-Y501 HydrophobicContact CB-CG 4.05Å; K468-Y501 HydrophobicContact CD-CD1 4.32Å; K468-Y501 HydrophobicContact CD-CG 4.45Å; K468-Y501 HydrophobicContact CG-CD1 3.9Å; K468-Y501 HydrophobicContact CG-CG 4.07Å; K468-Y501 PolarHBondContact NZ-O 2.73Å; H471-Y501 AromaticContact CE1-CZ 3.98Å; H471-Y501 PolarHBondContact CE1-OH 3.28Å; H471-Y501 AromaticContact ND1-CE2 3.81Å; H471-Y501 AromaticContact ND1-CZ 3.4Å; H471-Y501 PolarHBondContact ND1-OH 3.1Å; C497-Y501 WeakPolarHBondContact O-CD2 3.46Å; C497-Y501 PolarHBondContact O-N 3.41Å; Y501-T503 VanDerWaalsContact C-N 3.32Å; Y501-D507 PolarHBondContact OH-O 3.23Å; Y501-F512 HydrophobicContact CD2-CZ 4.42Å; Y501-F512 HydrophobicContact CE2-CE2 4.07Å; Y501-F512 AromaticContact CE2-CZ 3.69Å; Y501-F512 HydrophobicContact CE2-CZ 3.69Å; Y501-F512 AromaticContact CZ-CZ 3.96Å
502K94.6Very high94.6Very high120 Ų12052.4 Ų52.452%0.52228%0.278SS..Hα-helixtrans-68.9-30.8172-171.6173.3-177.6177.50112.6Y451 Y452 L498 H500Y451-K502 HydrophobicContact CD1-CB 4.36Å; Y451-K502 HydrophobicContact CD1-CG 4.13Å; Y451-K502 HydrophobicContact CD2-CG 4.48Å; Y451-K502 HydrophobicContact CG-CG 4.1Å; Y452-K502 PolarHBondContact OH-N 3.09Å; L498-K502 WeakPolarHBondContact O-CB 3.32Å; L498-K502 PolarHBondContact O-N 3Å; H500-K502 PolarHBondContact O-N 3.16Å; H500-K502 VanDerWaalsContact O-N 3.16Å
503T93.4Very high94.6Very high123 Ų12355 Ų5576%0.75528%0.284SS*.Hα-helixtrans-113.7-27.4-177.155.20000113.6H500 Y501H500-T503 PolarHBondContact O-N 3.28Å; H500-T503 VanDerWaalsContact O-N 3.13Å; H500-T503 PolarHBondContact O-OG1 2.64Å; Y501-T503 VanDerWaalsContact C-N 3.32Å
504S93.3Very high94.6Very high38 Ų3855.2 Ų55.227%0.26629%0.285SS..SBendtrans-89.7157.8-177.6-55.10000112.1K468 H500K468-S504 WeakPolarHBondContact CE-O 3.37Å; K468-S504 PolarHBondContact NZ-O 3.41Å; H500-S504 PolarHBondContact CE1-OG 3.32Å; H500-S504 VanDerWaalsContact CE1-OG 3.28Å; H500-S504 VanDerWaalsContact NE2-CB 3.33Å; H500-S504 WeakPolarHBondContact NE2-CB 3.42Å; H500-S504 PolarHBondContact NE2-OG 3.41Å; H500-S504 WeakPolarHBondContact O-CB 3.31Å; H500-S504 PolarHBondContact O-N 3.27Å; H500-S504 PolarHBondContact O-OG 2.92Å
505T92.8Very high94.5Very high116 Ų11660.4 Ų60.471%0.71231%0.309SS*.PPolyproline II helixtrans-66163.916549.40000110.3D507T505-D507 PolarHBondContact O-N 3.49Å
506Y92.9Very high94.4Very high46 Ų4659.5 Ų59.518%0.1831%0.305CS..PPolyproline II helixtrans-66.7127.1171.4-178.7-94.9000109.6R467 K468 H471 E508R467-Y506 HydrophobicContact CB-CE2 4.46Å; R467-Y506 HydrophobicContact CG-CD2 4.15Å; R467-Y506 HydrophobicContact CG-CE1 4.4Å; R467-Y506 HydrophobicContact CG-CE2 3.63Å; R467-Y506 PolarHBondContact NE-OH 3.37Å; R467-Y506 VanDerWaalsContact NE-OH 3.16Å; K468-Y506 HydrophobicContact CG-CD2 3.81Å; H471-Y506 HydrophobicContact CB-CE2 3.81Å; Y506-E508 HydrophobicContact CE1-CG 3.54Å; Y506-E508 WeakPolarHBondContact CE1-OE1 3.48Å; Y506-E508 HydrophobicContact CE2-CG 4.49Å; Y506-E508 VanDerWaalsContact OH-CG 3.29Å; Y506-E508 WeakPolarHBondContact OH-CG 3.43Å; Y506-E508 PolarHBondContact OH-OE1 3.39Å
507D91.3Very high94.3Very high65 Ų6563.7 Ų63.735%0.34832%0.317SS..  trans-153117-177.5-178.814.6000109.2Y501 T505 E509 H510Y501-D507 PolarHBondContact OH-O 3.23Å; T505-D507 PolarHBondContact O-N 3.49Å; D507-E509 WeakPolarHBondContact OD1-CB 3.3Å; D507-E509 PolarHBondContact OD1-N 3.32Å; D507-H510 HydrophobicContact CB-CB 4.47Å
508E89.7Confident94.2Very high33 Ų3364 Ų6415%0.15432%0.318CS..SBendtrans-86.6-15177.9-64-178.8-142.900112.2V258 C259 R467 Y506 H510V258-E508 WeakPolarHBondContact CA-OE2 3.15Å; V258-E508 WeakPolarHBondContact CG1-OE2 3.33Å; C259-E508 PolarHBondContact N-OE2 2.9Å; R467-E508 IonicContact CZ-OE1 3.36Å; R467-E508 IonicContact NH2-OE1 2.66Å; R467-E508 PolarHBondContact NH2-OE1 3.43Å; Y506-E508 HydrophobicContact CE1-CG 3.54Å; Y506-E508 WeakPolarHBondContact CE1-OE1 3.48Å; Y506-E508 HydrophobicContact CE2-CG 4.49Å; Y506-E508 VanDerWaalsContact OH-CG 3.29Å; Y506-E508 WeakPolarHBondContact OH-CG 3.43Å; Y506-E508 PolarHBondContact OH-OE1 3.39Å; E508-H510 PolarHBondContact O-N 2.87Å
509E89.3Confident94Very high119 Ų11966.6 Ų66.656%0.55634%0.341SS*.SBendtrans-79.8-11.3176-63.9-64124.900112.2K256 D507 E511K256-E509 WeakPolarHBondContact CE-OE1 3.14Å; K256-E509 WeakPolarHBondContact CE-OE2 3.27Å; K256-E509 IonicContact NZ-OE1 3.98Å; K256-E509 PolarHBondContact NZ-OE1 2.91Å; K256-E509 IonicContact NZ-OE2 3.87Å; K256-E509 PolarHBondContact NZ-OE2 3.48Å; D507-E509 WeakPolarHBondContact OD1-CB 3.3Å; D507-E509 PolarHBondContact OD1-N 3.32Å; E509-E511 PolarHBondContact O-N 2.93Å
510H91.7Very high93.9Very high59 Ų5965 Ų6527%0.27333%0.332SS..  trans-64.6122.1178.5-171.870.7000111.9H500 D507 E508 F512H500-H510 AromaticContact CE1-CD2 3.61Å; H500-H510 AromaticContact CE1-CE1 3.38Å; H500-H510 PolarHBondContact CE1-CE1 3.22Å; H500-H510 AromaticContact CE1-CG 3.61Å; H500-H510 AromaticContact CE1-ND1 3.46Å; H500-H510 PolarHBondContact CE1-ND1 3.39Å; H500-H510 AromaticContact CE1-NE2 3.45Å; H500-H510 PolarHBondContact CE1-NE2 3.4Å; H500-H510 AromaticContact ND1-CD2 3.88Å; H500-H510 AromaticContact ND1-CE1 3.69Å; H500-H510 AromaticContact ND1-NE2 3.43Å; H500-H510 PolarHBondContact ND1-NE2 2.74Å; H500-H510 AromaticContact NE2-CD2 3.89Å; H500-H510 AromaticContact NE2-CG 3.82Å; D507-H510 HydrophobicContact CB-CB 4.47Å; E508-H510 PolarHBondContact O-N 2.87Å; H510-F512 AromaticContact CD2-CD1 3.93Å; H510-F512 AromaticContact CD2-CD2 3.93Å; H510-F512 AromaticContact CD2-CE1 3.68Å; H510-F512 AromaticContact CD2-CE2 3.71Å; H510-F512 AromaticContact CD2-CZ 3.58Å; H510-F512 AromaticContact NE2-CE1 3.97Å
511E93.6Very high93.7Very high77 Ų7763.2 Ų63.236%0.3632%0.324SS..  trans-89.5112.2176.4-175.3-175.1-103.800111.2N254 E509 K513N254-E511 HydrophobicContact CB-CG 3.91Å; N254-E511 WeakPolarHBondContact CB-OE1 3.3Å; E509-E511 PolarHBondContact O-N 2.93Å; E511-K513 WeakPolarHBondContact OE2-CE 3.26Å; E511-K513 IonicContact OE2-NZ 2.98Å; E511-K513 PolarHBondContact OE2-NZ 3.37Å
512F96.1Very high93.5Very high4 Ų464.5 Ų64.52%0.01833%0.332CS..EExtended strand (participates in β ladder)trans-80.6136.8173.7-71.5-80.7000111.4I255 I475 L493 C497 H500 Y501 H510I255-F512 HydrophobicContact CB-CB 4.37Å; I255-F512 PolarHBondContact N-O 2.9Å; I255-F512 PolarHBondContact O-N 3.46Å; I475-F512 HydrophobicContact CD1-CD2 3.66Å; I475-F512 HydrophobicContact CD1-CE2 3.5Å; L493-F512 HydrophobicContact CD1-CB 4.28Å; C497-F512 HydrophobicContact CB-CE1 4.15Å; C497-F512 HydrophobicContact CB-CZ 4.19Å; H500-F512 HydrophobicContact CB-CE1 3.81Å; H500-F512 HydrophobicContact CB-CZ 4.24Å; Y501-F512 HydrophobicContact CD2-CZ 4.42Å; Y501-F512 HydrophobicContact CE2-CE2 4.07Å; Y501-F512 AromaticContact CE2-CZ 3.69Å; Y501-F512 HydrophobicContact CE2-CZ 3.69Å; Y501-F512 AromaticContact CZ-CZ 3.96Å; H510-F512 AromaticContact CD2-CD1 3.93Å; H510-F512 AromaticContact CD2-CD2 3.93Å; H510-F512 AromaticContact CD2-CE1 3.68Å; H510-F512 AromaticContact CD2-CE2 3.71Å; H510-F512 AromaticContact CD2-CZ 3.58Å; H510-F512 AromaticContact NE2-CE1 3.97Å
513K96.2Very high93.3Very high130 Ų13064.5 Ų64.557%0.56533%0.334SS*.EExtended strand (participates in β ladder)trans-111.4126.7-179.1-63.9-172.7178.6-176.90112.1T252 L253 N254 E511T252-K513 HydrophobicContact CG2-CB 4.09Å; L253-K513 CarbonylContact O-C 3.54Å; L253-K513 VanDerWaalsContact O-CA 3.28Å; L253-K513 WeakPolarHBondContact O-CA 3.31Å; N254-K513 WeakPolarHBondContact OD1-CE 3.36Å; E511-K513 WeakPolarHBondContact OE2-CE 3.26Å; E511-K513 IonicContact OE2-NZ 2.98Å; E511-K513 PolarHBondContact OE2-NZ 3.37Å
514L97.1Very high93.1Very high6 Ų661 Ų613%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-128.9122.6-179.8-178.166.4000111.5L253 I255 L485 R489 V492 L493 I516L253-L514 HydrophobicContact CB-CB 4.28Å; L253-L514 HydrophobicContact CD1-CD2 4.32Å; L253-L514 PolarHBondContact N-O 2.93Å; L253-L514 PolarHBondContact O-N 3.42Å; I255-L514 HydrophobicContact CD1-CB 4.18Å; L485-L514 HydrophobicContact CD1-CD2 3.89Å; R489-L514 HydrophobicContact CB-CD2 4.23Å; V492-L514 HydrophobicContact CB-CD1 4.23Å; V492-L514 HydrophobicContact CG1-CD1 3.78Å; L493-L514 HydrophobicContact CB-CD2 4.22Å; L493-L514 HydrophobicContact CD2-CD2 4.5Å; L514-I516 PolarHBondContact O-N 3.1Å
515Q96.1Very high92.9Very high108 Ų10859.2 Ų59.251%0.50530%0.296SS..EExtended strand (participates in β ladder)trans-72.6127.4174-65.5-60.8-41.300110.6A251 T252 R489A251-Q515 PolarHBondContact O-OE1 3.31Å; T252-Q515 PolarHBondContact OG1-NE2 3.43Å; T252-Q515 PolarHBondContact OG1-OE1 3.01Å; R489-Q515 PolarHBondContact NH1-O 3.12Å
516I95.4Very high92.7Very high9 Ų957.9 Ų57.95%0.04628%0.281CS..EExtended strand (participates in β ladder)trans-131.3152-178-162161.5000111.5A251 L253 L485 L514 L520 I521A251-I516 HydrophobicContact CB-CG2 3.77Å; A251-I516 WeakPolarHBondContact CB-O 3.49Å; A251-I516 PolarHBondContact O-N 3.33Å; L253-I516 HydrophobicContact CD1-CB 4.26Å; L253-I516 HydrophobicContact CD1-CD1 3.68Å; L253-I516 HydrophobicContact CD1-CG2 4.27Å; L253-I516 HydrophobicContact CG-CB 4.35Å; L253-I516 HydrophobicContact CG-CD1 4.44Å; L253-I516 HydrophobicContact CG-CG2 3.89Å; L485-I516 HydrophobicContact CD2-CD1 3.41Å; L485-I516 VanDerWaalsContact CD2-CD1 3.41Å; L514-I516 PolarHBondContact O-N 3.1Å; I516-L520 HydrophobicContact CD1-CB 4.13Å; I516-L520 HydrophobicContact CD1-CD1 4.3Å; I516-L520 HydrophobicContact CG1-CB 4.14Å; I516-L520 HydrophobicContact CG1-CD1 3.86Å; I516-I521 HydrophobicContact CD1-CG2 3.67Å; I516-I521 HydrophobicContact CG2-CD1 3.85Å; I516-I521 HydrophobicContact CG2-CG1 4.45Å
517K94.7Very high92.4Very high140 Ų14065 Ų6561%0.60931%0.313SS*.  trans-78.9130.4169.8-67.9-177.4179.8176.70108.8A519 L520K517-A519 PolarHBondContact O-N 2.95Å; K517-L520 HydrophobicContact CB-CD1 4.35Å; K517-L520 HydrophobicContact CB-CG 4.36Å; K517-L520 PolarHBondContact O-N 3.29Å
518P94.6Very high92.1Very high5 Ų567.7 Ų67.73%0.03232%0.324CS..G310 helixtrans-51.1-35.4177.7-28.733.8000113.8F233 L247 S249 A251 L520 I521 S522F233-P518 HydrophobicContact CD1-CG 4.42Å; F233-P518 HydrophobicContact CE1-CB 3.92Å; F233-P518 HydrophobicContact CE1-CG 4.07Å; L247-P518 HydrophobicContact CD2-CB 4.24Å; S249-P518 WeakPolarHBondContact O-CD 3.39Å; S249-P518 WeakPolarHBondContact O-CG 3.28Å; S249-P518 WeakPolarHBondContact OG-CG 3.15Å; A251-P518 HydrophobicContact CB-CG 4.1Å; P518-L520 PolarHBondContact O-N 3.45Å; P518-L520 VanDerWaalsContact O-N 3.16Å; P518-I521 CarbonylContact O-C 3.59Å; P518-I521 PolarHBondContact O-N 3.02Å; P518-I521 VanDerWaalsContact O-N 3.14Å; P518-S522 PolarHBondContact O-N 2.62Å
519A93.5Very high91.9Very high61 Ų6169.9 Ų69.950%0.50434%0.336SS..G310 helixtrans-59.8-24.317900000114.8L247 K517L247-A519 HydrophobicContact CD2-CB 4.39Å; K517-A519 PolarHBondContact O-N 2.95Å
520L92.4Very high91.9Very high69 Ų6964.9 Ų64.936%0.36131%0.314SS..G310 helixtrans-76.2-26.4179.1-67.2173.6000112.6P486 R489 I516 K517 P518P486-L520 HydrophobicContact CG-CD1 3.99Å; P486-L520 HydrophobicContact CG-CD2 4.25Å; R489-L520 HydrophobicContact CG-CD1 4.37Å; I516-L520 HydrophobicContact CD1-CB 4.13Å; I516-L520 HydrophobicContact CD1-CD1 4.3Å; I516-L520 HydrophobicContact CG1-CB 4.14Å; I516-L520 HydrophobicContact CG1-CD1 3.86Å; K517-L520 HydrophobicContact CB-CD1 4.35Å; K517-L520 HydrophobicContact CB-CG 4.36Å; K517-L520 PolarHBondContact O-N 3.29Å; P518-L520 PolarHBondContact O-N 3.45Å; P518-L520 VanDerWaalsContact O-N 3.16Å
521I92.8Very high91.8Very high0 Ų064.3 Ų64.30%031%0.313CS..SBendtrans-120.313.2-174.155.3165.9000112.2L212 V231 F233 L253 I516 P518 H523 F524 Y525L212-I521 HydrophobicContact CD1-CD1 4.46Å; V231-I521 HydrophobicContact CB-CD1 4.18Å; V231-I521 HydrophobicContact CG1-CD1 4.3Å; V231-I521 HydrophobicContact CG2-CD1 3.67Å; F233-I521 HydrophobicContact CZ-CD1 3.9Å; L253-I521 HydrophobicContact CD2-CD1 4.42Å; I516-I521 HydrophobicContact CD1-CG2 3.67Å; I516-I521 HydrophobicContact CG2-CD1 3.85Å; I516-I521 HydrophobicContact CG2-CG1 4.45Å; P518-I521 CarbonylContact O-C 3.59Å; P518-I521 PolarHBondContact O-N 3.02Å; P518-I521 VanDerWaalsContact O-N 3.14Å; I521-H523 PolarHBondContact O-N 2.98Å; I521-H523 VanDerWaalsContact O-N 3.15Å; I521-F524 HydrophobicContact CB-CD2 4.03Å; I521-F524 HydrophobicContact CG2-CD2 4.26Å; I521-F524 WeakPolarHBondContact O-CB 3.32Å; I521-F524 PolarHBondContact O-N 3.14Å; I521-Y525 HydrophobicContact CG1-CD1 4.35Å; I521-Y525 HydrophobicContact CG1-CE1 4.25Å; I521-Y525 VanDerWaalsContact O-CD1 3.26Å; I521-Y525 WeakPolarHBondContact O-CD1 3.36Å
522S91.8Very high91.7Very high26 Ų2662.4 Ų62.418%0.18230%0.304CS..Hα-helixtrans-57.7-34.2-173.466.20000113.4P518 F524 Y525 Q526P518-S522 PolarHBondContact O-N 2.62Å; S522-F524 PolarHBondContact O-N 2.68Å; S522-Y525 PolarHBondContact O-N 3.35Å; S522-Q526 VanDerWaalsContact O-CB 3.25Å; S522-Q526 WeakPolarHBondContact O-CB 3.35Å; S522-Q526 WeakPolarHBondContact O-CG 3.48Å; S522-Q526 PolarHBondContact O-N 2.9Å
523H90.4Very high91.6Very high120 Ų12062.3 Ų62.356%0.55630%0.304SS*.Hα-helixtrans-65.4-23.5178.861-81.8000113.7I521I521-H523 PolarHBondContact O-N 2.98Å; I521-H523 VanDerWaalsContact O-N 3.15Å
524F89Confident91.4Very high49 Ų4956.2 Ų56.222%0.21528%0.277CS..Hα-helixtrans-82.3-26.8178.3-68.5-72.1000114.2L212 F482 L483 I521 S522 E528L212-F524 HydrophobicContact CD2-CB 3.5Å; L212-F524 VanDerWaalsContact CD2-CB 3.5Å; L212-F524 HydrophobicContact CD2-CG 4.13Å; F482-F524 VanDerWaalsContact O-CZ 3.23Å; F482-F524 WeakPolarHBondContact O-CZ 3.47Å; L483-F524 HydrophobicContact CB-CE2 4.31Å; L483-F524 HydrophobicContact CD2-CD2 4.36Å; L483-F524 HydrophobicContact CD2-CE1 4.37Å; L483-F524 HydrophobicContact CD2-CE2 3.88Å; L483-F524 HydrophobicContact CD2-CZ 3.93Å; I521-F524 HydrophobicContact CB-CD2 4.03Å; I521-F524 HydrophobicContact CG2-CD2 4.26Å; I521-F524 WeakPolarHBondContact O-CB 3.32Å; I521-F524 PolarHBondContact O-N 3.14Å; S522-F524 PolarHBondContact O-N 2.68Å; F524-E528 WeakPolarHBondContact O-CG 3.45Å
525Y89.8Confident91.3Very high1 Ų156 Ų560%0.00428%0.277CS..Hα-helixtrans-118.7-18.8-170.775.5-99.3000114.2F210 F233 I244 P245 I521 S522 K527 E528F210-Y525 HydrophobicContact CE2-CD2 4.42Å; F210-Y525 HydrophobicContact CZ-CD2 4.39Å; F233-Y525 HydrophobicContact CE1-CD1 4.36Å; F233-Y525 AromaticContact CE1-CE1 3.86Å; F233-Y525 HydrophobicContact CE1-CE1 3.86Å; F233-Y525 AromaticContact CE2-CD1 3.92Å; F233-Y525 HydrophobicContact CE2-CD1 3.92Å; F233-Y525 HydrophobicContact CE2-CD2 4.28Å; F233-Y525 HydrophobicContact CE2-CE1 4.23Å; F233-Y525 AromaticContact CE2-CG 3.94Å; F233-Y525 HydrophobicContact CE2-CG 3.94Å; F233-Y525 AromaticContact CZ-CD1 3.41Å; F233-Y525 HydrophobicContact CZ-CD1 3.41Å; F233-Y525 VanDerWaalsContact CZ-CD1 3.41Å; F233-Y525 HydrophobicContact CZ-CD2 4.26Å; F233-Y525 AromaticContact CZ-CE1 3.35Å; F233-Y525 HydrophobicContact CZ-CE1 3.35Å; F233-Y525 HydrophobicContact CZ-CE2 4.24Å; F233-Y525 AromaticContact CZ-CG 3.88Å; F233-Y525 HydrophobicContact CZ-CG 3.88Å; F233-Y525 AromaticContact CZ-CZ 3.82Å; I244-Y525 HydrophobicContact CG2-CD2 4.13Å; I244-Y525 HydrophobicContact CG2-CE2 3.82Å; P245-Y525 HydrophobicContact CB-CE2 4.31Å; P245-Y525 HydrophobicContact CG-CE2 4.42Å; P245-Y525 PolarHBondContact O-OH 3.49Å; I521-Y525 HydrophobicContact CG1-CD1 4.35Å; I521-Y525 HydrophobicContact CG1-CE1 4.25Å; I521-Y525 VanDerWaalsContact O-CD1 3.26Å; I521-Y525 WeakPolarHBondContact O-CD1 3.36Å; S522-Y525 PolarHBondContact O-N 3.35Å; Y525-K527 PolarHBondContact O-N 3.24Å; Y525-E528 PolarHBondContact O-N 2.93Å
526Q88.6Confident91.2Very high88 Ų8852.6 Ų52.641%0.41126%0.26SS..SBendtrans-67.7-20.2-175.5-79.9179.5-22.300114.3I244 S522I244-Q526 WeakPolarHBondContact CD1-O 3.44Å; I244-Q526 HydrophobicContact CG2-CG 4.25Å; S522-Q526 VanDerWaalsContact O-CB 3.25Å; S522-Q526 WeakPolarHBondContact O-CB 3.35Å; S522-Q526 WeakPolarHBondContact O-CG 3.48Å; S522-Q526 PolarHBondContact O-N 2.9Å
527K85.6Confident91.1Very high195 Ų19552.1 Ų52.185%0.84826%0.258SS*.SBendtrans-115.3-8.8179.4-64.3-177.7-179.4178.30113.3Y525Y525-K527 PolarHBondContact O-N 3.24Å
528E86Confident90.9Very high122 Ų12246 Ų4657%0.5723%0.233SC*.SBendtrans-93.3158.3-177.5-63.5-54.8140.300110.5F210 F524 Y525F210-E528 HydrophobicContact CD1-CB 4.42Å; F524-E528 WeakPolarHBondContact O-CG 3.45Å; Y525-E528 PolarHBondContact O-N 2.93Å
529L85.6Confident90.8Very high80 Ų8046 Ų4642%0.41923%0.233SC..PPolyproline II helixtrans-89.4140172-69.3170.9000110.1P579 F581L529-P579 HydrophobicContact CD1-CG 3.23Å; L529-F581 HydrophobicContact CD1-CZ 4.46Å; L529-F581 HydrophobicContact CD2-CZ 4.39Å
530P89.8Confident90.3Very high13 Ų1345.5 Ų45.58%0.08423%0.234CC..PPolyproline II helixtrans-69.6139.5177.327.8-32.8000110.6A208 R209 F210 L242 M532 W533A208-P530 HydrophobicContact CB-CB 4.44Å; R209-P530 CarbonylContact O-C 3.6Å; R209-P530 WeakPolarHBondContact O-CA 3.44Å; R209-P530 WeakPolarHBondContact O-CB 3.31Å; F210-P530 HydrophobicContact CD1-CB 4.14Å; F210-P530 HydrophobicContact CD2-CB 4.46Å; F210-P530 HydrophobicContact CE1-CB 3.76Å; F210-P530 HydrophobicContact CE1-CG 4.3Å; F210-P530 HydrophobicContact CE2-CB 4.1Å; F210-P530 HydrophobicContact CG-CB 4.48Å; F210-P530 HydrophobicContact CZ-CB 3.74Å; F210-P530 HydrophobicContact CZ-CG 4.26Å; L242-P530 HydrophobicContact CD2-CG 4.33Å; P530-M532 PolarHBondContact O-N 3.1Å; P530-W533 HydrophobicContact CB-CB 4.23Å; P530-W533 HydrophobicContact CG-CB 3.73Å; P530-W533 HydrophobicContact CG-CG 4.32Å
531I89.8Confident89.6Confident48 Ų4850.5 Ų50.525%0.24626%0.255CS..SBendtrans-67.4-27.4168.860172.8000111R209 T230 S553 D554R209-I531 HydrophobicContact CB-CD1 4.47Å; R209-I531 HydrophobicContact CB-CG1 3.97Å; R209-I531 HydrophobicContact CG-CD1 3.72Å; R209-I531 HydrophobicContact CG-CG1 3.75Å; R209-I531 VanDerWaalsContact O-CG1 3.32Å; R209-I531 WeakPolarHBondContact O-CG1 3.45Å; R209-I531 PolarHBondContact O-N 2.75Å; T230-I531 HydrophobicContact CG2-CD1 4.4Å; I531-S553 WeakPolarHBondContact O-CA 3.42Å; I531-D554 PolarHBondContact O-N 2.9Å
532M90.6Very high89Confident37 Ų3753.7 Ų53.718%0.18229%0.288CS..EExtended strand (participates in β ladder)trans-145.4130.7172-172.6-177.2-66.500109.7A208 R209 P530 L552 L557A208-M532 CarbonylContact C-O 3.48Å; A208-M532 VanDerWaalsContact CA-O 3.27Å; A208-M532 WeakPolarHBondContact CA-O 3.37Å; R209-M532 HydrophobicContact CB-CB 4.07Å; R209-M532 PolarHBondContact N-O 2.8Å; R209-M532 PolarHBondContact O-N 3.32Å; P530-M532 PolarHBondContact O-N 3.1Å; M532-L552 CarbonylContact C-O 3.56Å; M532-L552 WeakPolarHBondContact CA-O 3.47Å; M532-L557 HydrophobicContact CE-CD2 3.95Å
533W93.4Very high88.2Confident2 Ų257.2 Ų57.21%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-128142.4171.8-171.299000109.1S207 W235 V238 I241 L242 E243 P530 V535 Q551 L552S207-W533 CarbonylContact O-C 3.53Å; W235-W533 AromaticContact CH2-NE1 3.79Å; W235-W533 HydrophobicContact CZ2-CZ2 4.49Å; V238-W533 HydrophobicContact CG1-CH2 4.21Å; V238-W533 HydrophobicContact CG1-CZ2 4.13Å; I241-W533 HydrophobicContact CB-CH2 4.31Å; I241-W533 HydrophobicContact CB-CZ3 4.41Å; I241-W533 HydrophobicContact CD1-CH2 3.71Å; I241-W533 HydrophobicContact CD1-CZ3 3.78Å; I241-W533 HydrophobicContact CG2-CE3 4.43Å; I241-W533 HydrophobicContact CG2-CH2 4.29Å; I241-W533 HydrophobicContact CG2-CZ3 3.92Å; L242-W533 HydrophobicContact CD2-CB 3.79Å; L242-W533 HydrophobicContact CD2-CD2 4.17Å; L242-W533 HydrophobicContact CD2-CG 3.83Å; L242-W533 VanDerWaalsContact N-CE2 3.33Å; L242-W533 VanDerWaalsContact N-CZ2 3.26Å; E243-W533 HydrophobicContact CG-CZ2 4.37Å; E243-W533 PolarHBondContact O-NE1 3.48Å; E243-W533 VanDerWaalsContact O-NE1 3.11Å; P530-W533 HydrophobicContact CB-CB 4.23Å; P530-W533 HydrophobicContact CG-CB 3.73Å; P530-W533 HydrophobicContact CG-CG 4.32Å; W533-V535 HydrophobicContact CH2-CB 3.67Å; W533-V535 HydrophobicContact CH2-CG1 3.9Å; W533-V535 HydrophobicContact CZ3-CB 3.84Å; W533-V535 HydrophobicContact CZ3-CG1 3.72Å; W533-Q551 CarbonylContact O-C 3.45Å; W533-Q551 VanDerWaalsContact O-CA 3.3Å; W533-Q551 WeakPolarHBondContact O-CA 3.48Å; W533-L552 HydrophobicContact CE3-CD1 4.17Å; W533-L552 PolarHBondContact N-O 3.28Å; W533-L552 PolarHBondContact O-N 3.16Å
534G93.3Very high87.7Confident1 Ų159 Ų591%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-150150.8-178.800000113.3G206 S207 L550G206-G534 CarbonylContact C-O 3.51Å; G206-G534 WeakPolarHBondContact CA-O 3.15Å; S207-G534 PolarHBondContact N-O 2.85Å; S207-G534 PolarHBondContact O-N 2.74Å; S207-G534 VanDerWaalsContact O-O 3.11Å; S207-G534 PolarHBondContact OG-O 3.41Å; G534-L550 CarbonylContact C-O 3.49Å; G534-L550 WeakPolarHBondContact CA-O 3.48Å
535V94.3Very high87.6Confident3 Ų358.5 Ų58.52%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-129.2135.8170.759.70000109.1L186 L189 I204 K205 V238 I241 W533 S549 L550L186-V535 HydrophobicContact CD1-CG2 4.07Å; L189-V535 HydrophobicContact CD2-CG1 3.57Å; I204-V535 HydrophobicContact CG2-CG2 3.72Å; K205-V535 CarbonylContact O-C 3.52Å; K205-V535 WeakPolarHBondContact O-CA 3.36Å; V238-V535 HydrophobicContact CB-CG2 4.22Å; V238-V535 HydrophobicContact CG1-CG2 4.22Å; V238-V535 HydrophobicContact CG2-CG2 4.1Å; I241-V535 HydrophobicContact CD1-CG1 3.77Å; W533-V535 HydrophobicContact CH2-CB 3.67Å; W533-V535 HydrophobicContact CH2-CG1 3.9Å; W533-V535 HydrophobicContact CZ3-CB 3.84Å; W533-V535 HydrophobicContact CZ3-CG1 3.72Å; V535-S549 CarbonylContact O-C 3.55Å; V535-S549 WeakPolarHBondContact O-CA 3.15Å; V535-S549 WeakPolarHBondContact O-CB 3.35Å; V535-L550 HydrophobicContact CG1-CB 3.93Å; V535-L550 PolarHBondContact N-O 3.11Å; V535-L550 PolarHBondContact O-N 3.12Å
536E93.6Very high87.6Confident35 Ų3559 Ų5916%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-118125.2175.7-175.9-17283.400109I204 K205 R547I204-E536 WeakPolarHBondContact CA-O 3.5Å; K205-E536 PolarHBondContact N-O 3.44Å; K205-E536 IonicContact NZ-OE1 3.03Å; K205-E536 PolarHBondContact O-N 3.48Å; E536-R547 HydrophobicContact CG-CB 4.44Å; E536-R547 IonicContact OE1-NE 3.86Å; E536-R547 IonicContact OE1-NH1 3.82Å; E536-R547 WeakPolarHBondContact OE2-CD 3.34Å; E536-R547 IonicContact OE2-CZ 2.77Å; E536-R547 IonicContact OE2-NE 3.13Å; E536-R547 IonicContact OE2-NH1 3.39Å; E536-R547 PolarHBondContact OE2-NH1 3.37Å; E536-R547 VanDerWaalsContact OE2-NH1 3.14Å
537I93Very high87.7Confident0 Ų058 Ų580%030%0.3CS..EExtended strand (participates in β ladder)trans-106.1124170.3-55.2179.3000107.8L189 K190 H193 M202 G203 I204 R547 T548L189-I537 HydrophobicContact CB-CD1 4.06Å; L189-I537 HydrophobicContact CD2-CD1 3.89Å; L189-I537 HydrophobicContact CD2-CG1 4.28Å; L189-I537 HydrophobicContact CG-CD1 3.8Å; K190-I537 HydrophobicContact CB-CD1 4.3Å; K190-I537 HydrophobicContact CG-CD1 3.71Å; H193-I537 HydrophobicContact CB-CG2 4.19Å; H193-I537 PolarHBondContact CE1-O 3.08Å; M202-I537 HydrophobicContact CB-CG2 4.26Å; M202-I537 HydrophobicContact CE-CG2 4.09Å; G203-I537 CarbonylContact O-C 3.56Å; G203-I537 WeakPolarHBondContact O-CA 3.33Å; I204-I537 HydrophobicContact CG1-CG1 4.42Å; I537-R547 CarbonylContact O-C 3.49Å; I537-R547 VanDerWaalsContact O-CA 3.29Å; I537-R547 WeakPolarHBondContact O-CA 3.48Å; I537-T548 PolarHBondContact N-O 3.36Å; I537-T548 PolarHBondContact O-N 3.43Å
538S92Very high88Confident12 Ų1248.8 Ų48.88%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-123.3149.6177.8800000113.1M202 G203 E545 V546M202-S538 CarbonylContact C-O 3.55Å; M202-S538 WeakPolarHBondContact CA-O 3.27Å; G203-S538 PolarHBondContact N-O 2.98Å; G203-S538 PolarHBondContact O-N 3Å; S538-E545 VanDerWaalsContact CB-OE1 3.23Å; S538-E545 WeakPolarHBondContact CB-OE1 3.3Å; S538-E545 PolarHBondContact OG-OE1 2.84Å; S538-V546 VanDerWaalsContact CA-O 3.3Å; S538-V546 WeakPolarHBondContact CA-O 3.49Å
539S90.7Very high88.3Confident4 Ų443.3 Ų43.33%0.02824%0.235CC..EExtended strand (participates in β ladder)trans-143.7158.117165.70000111.3H193 S199 S201 E545 V546H193-S539 WeakPolarHBondContact NE2-CB 3.39Å; H193-S539 PolarHBondContact NE2-OG 3.03Å; S199-S539 PolarHBondContact OG-OG 3.48Å; S201-S539 WeakPolarHBondContact O-CB 3.14Å; S539-E545 WeakPolarHBondContact O-CA 3.34Å; S539-V546 PolarHBondContact N-O 3.38Å; S539-V546 WeakPolarHBondContact O-CG2 3.12Å; S539-V546 PolarHBondContact O-N 3.22Å; S539-V546 WeakPolarHBondContact OG-CG2 3.27Å
540G84.4Confident88.6Confident50 Ų5039.6 Ų39.652%0.51522%0.216SC..SBendtrans91.8-171.8-173.100000113.5
541Q78Confident88.7Confident175 Ų17539.7 Ų39.782%0.81822%0.215SC*.  trans-139.5143.7-179.1-71-176.9-13.600111.5L543 R544Q541-L543 PolarHBondContact O-N 2.82Å; Q541-R544 PolarHBondContact O-N 3.39Å
542G79.2Confident88.7Confident66 Ų6637.5 Ų37.568%0.6820%0.204SC*.G310 helixtrans55.6-130.3175.900000112.8R544 E545G542-R544 PolarHBondContact O-N 3.1Å; G542-R544 VanDerWaalsContact O-N 3.16Å; G542-E545 WeakPolarHBondContact O-CB 3.43Å; G542-E545 PolarHBondContact O-N 3.09Å; G542-E545 VanDerWaalsContact O-N 3.1Å
543L75.3Confident88.6Confident101 Ų10135.8 Ų35.853%0.52920%0.196SC..G310 helixtrans-65.2-18.1-175.8-68.8172.1000114.4V157 C158 K167 Q541V157-L543 HydrophobicContact CG1-CB 3.68Å; V157-L543 HydrophobicContact CG1-CD1 4.44Å; V157-L543 HydrophobicContact CG1-CD2 4.34Å; V157-L543 HydrophobicContact CG1-CG 4.37Å; C158-L543 WeakPolarHBondContact O-CD1 3.42Å; K167-L543 WeakPolarHBondContact CE-O 3.35Å; K167-L543 PolarHBondContact NZ-O 3.24Å; Q541-L543 PolarHBondContact O-N 2.82Å
544R80.8Confident88.1Confident158 Ų15839.6 Ų39.660%0.59622%0.216SC*.G310 helixtrans-95.65.3177.8-61.7-175.5-179.5-175-2.1113.2Q541 G542 V546 F590Q541-R544 PolarHBondContact O-N 3.39Å; G542-R544 PolarHBondContact O-N 3.1Å; G542-R544 VanDerWaalsContact O-N 3.16Å; R544-V546 PolarHBondContact O-N 2.84Å; R544-F590 HydrophobicContact CB-CD1 4.4Å; R544-F590 HydrophobicContact CG-CD1 4.16Å; R544-F590 HydrophobicContact CG-CE1 3.84Å; R544-F590 HydrophobicContact CG-CZ 4.12Å
545E86.2Confident87.6Confident37 Ų3745.7 Ų45.717%0.17324%0.242CC..  trans-61.5127.3176.1-170.3-173.8-153.300110.4K167 S538 S539 G542 R547K167-E545 WeakPolarHBondContact CE-O 3.4Å; K167-E545 PolarHBondContact NZ-O 3.04Å; S538-E545 VanDerWaalsContact CB-OE1 3.23Å; S538-E545 WeakPolarHBondContact CB-OE1 3.3Å; S538-E545 PolarHBondContact OG-OE1 2.84Å; S539-E545 WeakPolarHBondContact O-CA 3.34Å; G542-E545 WeakPolarHBondContact O-CB 3.43Å; G542-E545 PolarHBondContact O-N 3.09Å; G542-E545 VanDerWaalsContact O-N 3.1Å; E545-R547 HydrophobicContact CG-CG 4.41Å; E545-R547 IonicContact OE1-NE 2.76Å; E545-R547 IonicContact OE2-CZ 3.5Å; E545-R547 IonicContact OE2-NE 3.62Å; E545-R547 PolarHBondContact OE2-NE 3.21Å; E545-R547 VanDerWaalsContact OE2-NE 3.13Å; E545-R547 IonicContact OE2-NH2 3.51Å; E545-R547 PolarHBondContact OE2-NH2 3.04Å
546V89.6Confident87Confident11 Ų1148.2 Ų48.27%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-113.8148.5176.1-69.70000109.5H197 S538 S539 R544 F590H197-V546 HydrophobicContact CB-CG2 3.99Å; H197-V546 VanDerWaalsContact CG-CG2 3.46Å; S538-V546 VanDerWaalsContact CA-O 3.3Å; S538-V546 WeakPolarHBondContact CA-O 3.49Å; S539-V546 PolarHBondContact N-O 3.38Å; S539-V546 WeakPolarHBondContact O-CG2 3.12Å; S539-V546 PolarHBondContact O-N 3.22Å; S539-V546 WeakPolarHBondContact OG-CG2 3.27Å; R544-V546 PolarHBondContact O-N 2.84Å; V546-F590 HydrophobicContact CG1-CB 3.72Å
547R91.2Very high86.6Confident69 Ų6947.2 Ų47.226%0.2625%0.254SS..EExtended strand (participates in β ladder)trans-139.5142.9-168.3-62178.2-179.9-178.215.4111.4Y50 E536 I537 E545 C588Y50-R547 HydrophobicContact CE1-CB 4.2Å; E536-R547 HydrophobicContact CG-CB 4.44Å; E536-R547 IonicContact OE1-NE 3.86Å; E536-R547 IonicContact OE1-NH1 3.82Å; E536-R547 WeakPolarHBondContact OE2-CD 3.34Å; E536-R547 IonicContact OE2-CZ 2.77Å; E536-R547 IonicContact OE2-NE 3.13Å; E536-R547 IonicContact OE2-NH1 3.39Å; E536-R547 PolarHBondContact OE2-NH1 3.37Å; E536-R547 VanDerWaalsContact OE2-NH1 3.14Å; I537-R547 CarbonylContact O-C 3.49Å; I537-R547 VanDerWaalsContact O-CA 3.29Å; I537-R547 WeakPolarHBondContact O-CA 3.48Å; E545-R547 HydrophobicContact CG-CG 4.41Å; E545-R547 IonicContact OE1-NE 2.76Å; E545-R547 IonicContact OE2-CZ 3.5Å; E545-R547 IonicContact OE2-NE 3.62Å; E545-R547 PolarHBondContact OE2-NE 3.21Å; E545-R547 VanDerWaalsContact OE2-NE 3.13Å; E545-R547 IonicContact OE2-NH2 3.51Å; E545-R547 PolarHBondContact OE2-NH2 3.04Å; R547-C588 WeakPolarHBondContact O-CB 3.31Å; R547-C588 PolarHBondContact O-N 2.89Å
548T91.9Very high86.1Confident0 Ų047.5 Ų47.50%026%0.256CS..EExtended strand (participates in β ladder)trans-128.3118.5169.6-59.30000107.2L189 H193 I537 M586L189-T548 HydrophobicContact CD1-CG2 3.74Å; L189-T548 HydrophobicContact CG-CG2 4.2Å; H193-T548 WeakPolarHBondContact ND1-CB 3.42Å; H193-T548 PolarHBondContact ND1-OG1 2.9Å; I537-T548 PolarHBondContact N-O 3.36Å; I537-T548 PolarHBondContact O-N 3.43Å; T548-M586 CarbonylContact C-O 3.59Å; T548-M586 WeakPolarHBondContact CA-O 3.31Å
549S91.8Very high85.6Confident8 Ų851 Ų516%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-122.1142.7179.161.20000111.8Y50 V535 T585 M586Y50-S549 VanDerWaalsContact OH-CB 3.23Å; Y50-S549 WeakPolarHBondContact OH-CB 3.33Å; Y50-S549 PolarHBondContact OH-OG 3.48Å; V535-S549 CarbonylContact O-C 3.55Å; V535-S549 WeakPolarHBondContact O-CA 3.15Å; V535-S549 WeakPolarHBondContact O-CB 3.35Å; S549-T585 CarbonylContact O-C 3.42Å; S549-T585 WeakPolarHBondContact O-CA 3.2Å; S549-M586 PolarHBondContact N-O 3.13Å; S549-M586 PolarHBondContact O-N 3.39Å
550L92Very high85.2Confident2 Ų251.5 Ų51.51%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-112.4134.9168.2171.567.1000107.8V184 L189 I241 G534 V535 L552 S583 T585V184-L550 HydrophobicContact CB-CD2 4.45Å; L189-L550 HydrophobicContact CD1-CB 4.24Å; L189-L550 HydrophobicContact CD2-CB 3.84Å; I241-L550 HydrophobicContact CD1-CD2 4.08Å; G534-L550 CarbonylContact C-O 3.49Å; G534-L550 WeakPolarHBondContact CA-O 3.48Å; V535-L550 HydrophobicContact CG1-CB 3.93Å; V535-L550 PolarHBondContact N-O 3.11Å; V535-L550 PolarHBondContact O-N 3.12Å; L550-L552 HydrophobicContact CD1-CD2 4.33Å; L550-S583 WeakPolarHBondContact CD1-OG 3.4Å; L550-T585 WeakPolarHBondContact CD1-OG1 3.4Å
551Q91.1Very high84.9Confident15 Ų1550.2 Ų50.27%0.0726%0.258CS..EExtended strand (participates in β ladder)trans-126.3139.3171.5-67.6-162.6-18.900110.8W533 L557 S583 T584W533-Q551 CarbonylContact O-C 3.45Å; W533-Q551 VanDerWaalsContact O-CA 3.3Å; W533-Q551 WeakPolarHBondContact O-CA 3.48Å; Q551-L557 HydrophobicContact CB-CD1 4.04Å; Q551-S583 CarbonylContact O-C 3.52Å; Q551-S583 WeakPolarHBondContact O-CA 3.4Å; Q551-T584 PolarHBondContact N-O 3.3Å; Q551-T584 PolarHBondContact O-N 2.9Å
552L90.6Very high84.8Confident1 Ų149.7 Ų49.71%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-119.2128.7175.8-57.3176.7000106.8L183 I241 L242 M532 W533 L550 F581 F582L183-L552 HydrophobicContact CD1-CD1 4.16Å; L183-L552 HydrophobicContact CD2-CD2 4.01Å; I241-L552 HydrophobicContact CG2-CD1 3.76Å; L242-L552 HydrophobicContact CD1-CD1 4.09Å; L242-L552 HydrophobicContact CD2-CB 4.5Å; L242-L552 HydrophobicContact CD2-CD1 3.58Å; L242-L552 HydrophobicContact CG-CD1 3.66Å; M532-L552 CarbonylContact C-O 3.56Å; M532-L552 WeakPolarHBondContact CA-O 3.47Å; W533-L552 HydrophobicContact CE3-CD1 4.17Å; W533-L552 PolarHBondContact N-O 3.28Å; W533-L552 PolarHBondContact O-N 3.16Å; L550-L552 HydrophobicContact CD1-CD2 4.33Å; L552-F581 HydrophobicContact CB-CB 4.43Å; L552-F581 HydrophobicContact CB-CD1 4.2Å; L552-F581 HydrophobicContact CB-CG 4.48Å; L552-F582 WeakPolarHBondContact CA-O 3.47Å
553S88.6Confident84.4Confident2 Ų247.9 Ų47.91%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-140.9156.9179.951.20000111.3I531 K555 L557 F582I531-S553 WeakPolarHBondContact O-CA 3.42Å; S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 WeakPolarHBondContact CB-O 3.31Å; S553-K555 PolarHBondContact OG-O 2.73Å; S553-L557 WeakPolarHBondContact OG-CD2 3.42Å; S553-L557 WeakPolarHBondContact OG-CG 3.46Å; S553-F582 PolarHBondContact N-O 2.96Å; S553-F582 PolarHBondContact O-N 3.36Å
554D82.8Confident83.7Confident81 Ų8151.8 Ų51.843%0.43325%0.248SC..SBendtrans-71.4-25.3173.861.1-10000112.9I531 F582I531-D554 PolarHBondContact O-N 2.9Å; D554-F582 WeakPolarHBondContact O-CD2 3.43Å; D554-F582 WeakPolarHBondContact O-CE2 3.47Å
555K82.4Confident82.4Confident130 Ų13047.4 Ų47.457%0.56524%0.239SC*.SBendtrans-120.6152.8177.6-64.7179.4-176.2-178.30111.4S553 L557S553-K555 VanDerWaalsContact C-N 3.3Å; S553-K555 WeakPolarHBondContact CB-O 3.31Å; S553-K555 PolarHBondContact OG-O 2.73Å; K555-L557 PolarHBondContact O-N 2.87Å
556P82.8Confident80.2Confident56 Ų5653.1 Ų53.136%0.36427%0.27SS..  trans-64.5134.5175.926.5-33.4000111.1V558 F563 F582P556-V558 PolarHBondContact O-N 2.94Å; P556-F563 HydrophobicContact CB-CD2 3.86Å; P556-F563 HydrophobicContact CB-CE2 3.54Å; P556-F563 HydrophobicContact CB-CZ 4.45Å; P556-F563 HydrophobicContact CG-CD2 4.35Å; P556-F563 HydrophobicContact CG-CE2 4.47Å; P556-F582 HydrophobicContact CB-CD1 3.97Å; P556-F582 HydrophobicContact CB-CE1 4.14Å; P556-F582 HydrophobicContact CB-CG 4.3Å; P556-F582 HydrophobicContact CG-CE1 4.43Å; P556-F582 HydrophobicContact CG-CZ 4.49Å
557L83.9Confident78Confident13 Ų1359.2 Ų59.27%0.06830%0.296CS..SBendtrans-823.7178.3-55.5-177.7000113.4T45 A46 M532 Q551 S553 K555 T584T45-L557 HydrophobicContact CG2-CD2 3.84Å; A46-L557 HydrophobicContact CB-CB 4.26Å; A46-L557 WeakPolarHBondContact CB-O 3.37Å; A46-L557 PolarHBondContact N-O 3.48Å; M532-L557 HydrophobicContact CE-CD2 3.95Å; Q551-L557 HydrophobicContact CB-CD1 4.04Å; S553-L557 WeakPolarHBondContact OG-CD2 3.42Å; S553-L557 WeakPolarHBondContact OG-CG 3.46Å; K555-L557 PolarHBondContact O-N 2.87Å; L557-T584 HydrophobicContact CD1-CG2 4.37Å
558V83.5Confident75.3Confident7 Ų760.6 Ų60.64%0.04231%0.314CS..  trans-122.2128.4-175.4-176.20000108.9A150 C173 P556 H560 V561A150-V558 HydrophobicContact CB-CG1 4.16Å; A150-V558 HydrophobicContact CB-CG2 3.94Å; C173-V558 HydrophobicContact CB-CG2 4.31Å; P556-V558 PolarHBondContact O-N 2.94Å; V558-H560 WeakPolarHBondContact CG1-CE1 3.41Å; V558-H560 VanDerWaalsContact CG1-ND1 3.29Å; V558-H560 WeakPolarHBondContact CG1-ND1 3.39Å; V558-V561 HydrophobicContact CB-CG2 4.5Å; V558-V561 HydrophobicContact CG1-CB 4.08Å; V558-V561 HydrophobicContact CG1-CG2 3.61Å
559D81.6Confident72.4Confident85 Ų8568.1 Ų68.146%0.45536%0.355SS..SBendtrans-86.1-27.4-172.558.3-14.1000114.5R140R140-D559 IonicContact CZ-OD2 2.63Å; R140-D559 IonicContact NE-OD1 3.53Å; R140-D559 IonicContact NE-OD2 3.82Å; R140-D559 IonicContact NH2-OD1 3.7Å; R140-D559 IonicContact NH2-OD2 3.95Å; R140-D559 PolarHBondContact NH2-OD2 3.49Å
560H81.9Confident69.8Low15 Ų1575.7 Ų75.77%0.06939%0.389CS..SBendtrans-99.37.3-171.662-89.5000114P102 C141 A150 W151 V558P102-H560 HydrophobicContact CB-CB 4.29Å; P102-H560 HydrophobicContact CG-CB 3.98Å; P102-H560 VanDerWaalsContact O-CB 3.26Å; P102-H560 WeakPolarHBondContact O-CB 3.25Å; C141-H560 PolarHBondContact O-NE2 3.37Å; A150-H560 PolarHBondContact O-CE1 3.1Å; A150-H560 PolarHBondContact O-NE2 3.48Å; A150-H560 VanDerWaalsContact O-NE2 3.13Å; W151-H560 AromaticContact CE2-CE1 3.46Å; W151-H560 VanDerWaalsContact CE2-CE1 3.46Å; W151-H560 AromaticContact CE2-ND1 3.94Å; W151-H560 AromaticContact CZ2-CE1 3.73Å; W151-H560 AromaticContact CZ2-ND1 3.76Å; W151-H560 AromaticContact NE1-CE1 3.39Å; W151-H560 PolarHBondContact NE1-CE1 2.89Å; V558-H560 WeakPolarHBondContact CG1-CE1 3.41Å; V558-H560 VanDerWaalsContact CG1-ND1 3.29Å; V558-H560 WeakPolarHBondContact CG1-ND1 3.39Å
561V78.3Confident66.9Low22 Ų2281 Ų8113%0.13342%0.422CS..  trans-124.6115.6-175.2179.10000108.5R143 V558 F563R143-V561 VanDerWaalsContact CD-CG1 3.42Å; R143-V561 HydrophobicContact CG-CG2 4.36Å; V558-V561 HydrophobicContact CB-CG2 4.5Å; V558-V561 HydrophobicContact CG1-CB 4.08Å; V558-V561 HydrophobicContact CG1-CG2 3.61Å; V561-F563 HydrophobicContact CB-CE2 4.29Å; V561-F563 HydrophobicContact CG1-CD2 4.37Å; V561-F563 HydrophobicContact CG1-CE2 3.95Å; V561-F563 HydrophobicContact CG1-CZ 4.13Å
562I74.6Confident64.3Low164 Ų16486.7 Ų86.784%0.84146%0.457SS*.  trans-84.5126.8173.4-57.9172000107.6
563F71.6Confident61.5Low28 Ų2893.7 Ų93.712%0.12349%0.494CS..  trans-96.4123.3170.7-66.1-94.8000107.6R143 C173 K174 P556 V561 T565 F582R143-F563 VanDerWaalsContact CZ-CE1 3.48Å; C173-F563 HydrophobicContact CB-CZ 4.42Å; C173-F563 VanDerWaalsContact SG-CZ 3.55Å; K174-F563 WeakPolarHBondContact O-CE1 3.47Å; P556-F563 HydrophobicContact CB-CD2 3.86Å; P556-F563 HydrophobicContact CB-CE2 3.54Å; P556-F563 HydrophobicContact CB-CZ 4.45Å; P556-F563 HydrophobicContact CG-CD2 4.35Å; P556-F563 HydrophobicContact CG-CE2 4.47Å; V561-F563 HydrophobicContact CB-CE2 4.29Å; V561-F563 HydrophobicContact CG1-CD2 4.37Å; V561-F563 HydrophobicContact CG1-CE2 3.95Å; V561-F563 HydrophobicContact CG1-CZ 4.13Å; F563-T565 VanDerWaalsContact C-N 3.33Å; F563-T565 PolarHBondContact O-N 3.25Å; F563-F582 HydrophobicContact CB-CE1 4.12Å; F563-F582 HydrophobicContact CD1-CD1 4.43Å; F563-F582 HydrophobicContact CD1-CE1 4.16Å; F563-F582 HydrophobicContact CD2-CD1 4.39Å; F563-F582 AromaticContact CD2-CE1 3.97Å; F563-F582 HydrophobicContact CD2-CE1 3.97Å; F563-F582 HydrophobicContact CE1-CD1 4.34Å; F563-F582 HydrophobicContact CE2-CD1 4.4Å; F563-F582 HydrophobicContact CE2-CE1 4.43Å; F563-F582 HydrophobicContact CG-CD1 4.41Å; F563-F582 AromaticContact CG-CE1 3.83Å; F563-F582 HydrophobicContact CG-CE1 3.83Å; F563-F582 HydrophobicContact CZ-CD1 4.36Å
564E60Low58.9Low183 Ų18397.8 Ų97.886%0.85554%0.537SS*.  trans-66.2100.4164.6-69.3177.1-179.700106.7
565T54.7Low56.5Low67 Ų67100.8 Ų100.841%0.41155%0.553SS.*  trans-87.7105.2170.947.10000107.6F563 F567 F582F563-T565 VanDerWaalsContact C-N 3.33Å; F563-T565 PolarHBondContact O-N 3.25Å; T565-F567 VanDerWaalsContact CB-CD2 3.5Å; T565-F567 HydrophobicContact CG2-CD2 4.13Å; T565-F567 HydrophobicContact CG2-CE2 3.83Å; T565-F567 PolarHBondContact O-N 3.48Å; T565-F582 HydrophobicContact CG2-CZ 4.31Å
566D40.3Very low54.5Low156 Ų156102.7 Ų102.783%0.83457%0.568SS**  trans-69.464.9167.6-69.6-34.7000109.7P568D566-P568 WeakPolarHBondContact O-CD 3.37Å
567F43.1Very low53Low139 Ų139106.7 Ų106.761%0.6159%0.586SS**  trans-90.9113.9164.4-71.8-67.3000107.7T565 N569 A580T565-F567 VanDerWaalsContact CB-CD2 3.5Å; T565-F567 HydrophobicContact CG2-CD2 4.13Å; T565-F567 HydrophobicContact CG2-CE2 3.83Å; T565-F567 PolarHBondContact O-N 3.48Å; F567-N569 PolarHBondContact O-N 3.46Å; F567-A580 HydrophobicContact CZ-CB 4.41Å
568P34.5Very low51.8Low99 Ų99110.5 Ų110.564%0.64360%0.604SS**  trans-60.6135.1158.426.1-29.1000107.4D566 E570D566-P568 WeakPolarHBondContact O-CD 3.37Å; P568-E570 PolarHBondContact O-N 3.3Å; P568-E570 VanDerWaalsContact O-N 3.16Å
569N30.6Very low51Low158 Ų158113.5 Ų113.585%0.84562%0.623SS**SBendtrans-40.4126.2167.3-75.7-25.7000109.3F567 T571F567-N569 PolarHBondContact O-N 3.46Å; N569-T571 PolarHBondContact O-N 2.97Å
570E36.5Very low50.7Low167 Ų167110.2 Ų110.278%0.7861%0.608SS**  trans-22.6101-178.8-67179.1157.700113P568 V572P568-E570 PolarHBondContact O-N 3.3Å; P568-E570 VanDerWaalsContact O-N 3.16Å; E570-V572 PolarHBondContact O-N 3.06Å; E570-V572 VanDerWaalsContact O-N 3.15Å
571T30.7Very low50.8Low113 Ų113110 Ų11069%0.69361%0.607SS**  trans-73.2111.716737.50000108.2N569 N573N569-T571 PolarHBondContact O-N 2.97Å; T571-N573 VanDerWaalsContact C-N 3.26Å; T571-N573 PolarHBondContact O-N 3.37Å
572V36.8Very low51.1Low135 Ų135109.8 Ų109.882%0.81860%0.604SS**SBendtrans-42.984.7161.2-178.20000110.2E570E570-V572 PolarHBondContact O-N 3.06Å; E570-V572 VanDerWaalsContact O-N 3.15Å
573N31.7Very low51.8Low147 Ų147102.2 Ų102.279%0.78657%0.565SS**  trans-179.395.1157.1-91.2-22.8000111.4T571 D575T571-N573 VanDerWaalsContact C-N 3.26Å; T571-N573 PolarHBondContact O-N 3.37Å; N573-D575 VanDerWaalsContact C-N 3.26Å; N573-D575 PolarHBondContact O-N 2.83Å
574G34.4Very low52.6Low88 Ų88101.2 Ų101.291%0.90756%0.562SS**  54.8-6.7119.800000123.6
575D32Very low54.1Low145 Ų14593 Ų9378%0.77552%0.524SS*.  trans-106.1126.4170.5-80.7-33.4000108.7N573 D577N573-D575 VanDerWaalsContact C-N 3.26Å; N573-D575 PolarHBondContact O-N 2.83Å; D575-D577 VanDerWaalsContact C-N 3.32Å; D575-D577 PolarHBondContact O-N 2.99Å
576I40.5Very low55.7Low170 Ų17090 Ų9087%0.87251%0.505SS*.  trans-67.693177.6-61.5162.2000107.2E578I576-E578 PolarHBondContact O-N 2.7Å
577D52.3Low58.1Low139 Ų13982.9 Ų82.974%0.74347%0.468SS*.PPolyproline II helixtrans-58125.3167.2-79.8-30.6000108D575D575-D577 VanDerWaalsContact C-N 3.32Å; D575-D577 PolarHBondContact O-N 2.99Å
578E59.3Low60.4Low94 Ų9476.5 Ų76.544%0.43944%0.44SS..PPolyproline II helixtrans-56.8128.1176.1-73.8-164139.800108.5K180 I576 A580K180-E578 WeakPolarHBondContact CE-OE1 3.26Å; K180-E578 IonicContact NZ-OE1 3.1Å; K180-E578 PolarHBondContact NZ-OE1 3.22Å; I576-E578 PolarHBondContact O-N 2.7Å; E578-A580 PolarHBondContact O-N 2.99Å
579P65.2Low63Low69 Ų6972.9 Ų72.945%0.44842%0.418SS..PPolyproline II helixtrans-66.6137.3-175.826.9-33.8000109.8L529L529-P579 HydrophobicContact CD1-CG 3.23Å
580A76.4Confident65.7Low16 Ų1667.2 Ų67.213%0.13239%0.385CS..PPolyproline II helixtrans-77.4141-176.600000111S176 V178 F567 E578S176-A580 WeakPolarHBondContact OG-CB 3.3Å; V178-A580 HydrophobicContact CG2-CB 3.89Å; F567-A580 HydrophobicContact CZ-CB 4.41Å; E578-A580 PolarHBondContact O-N 2.99Å
581F82.8Confident68.1Low12 Ų1263 Ų635%0.05337%0.368CS..EExtended strand (participates in β ladder)trans-108.2140.2178.4-67.9-81.3000111.6T177 L242 L529 L552T177-F581 PolarHBondContact N-O 3.09Å; T177-F581 PolarHBondContact O-N 3.24Å; L242-F581 HydrophobicContact CD1-CE2 4.25Å; L529-F581 HydrophobicContact CD1-CZ 4.46Å; L529-F581 HydrophobicContact CD2-CZ 4.39Å; L552-F581 HydrophobicContact CB-CB 4.43Å; L552-F581 HydrophobicContact CB-CD1 4.2Å; L552-F581 HydrophobicContact CB-CG 4.48Å
582F86Confident70.7Confident16 Ų1660.4 Ų60.47%0.0735%0.354CS..EExtended strand (participates in β ladder)trans-84.7123163.9-67.3-89.8000109.5L552 S553 D554 P556 F563 T565L552-F582 WeakPolarHBondContact CA-O 3.47Å; S553-F582 PolarHBondContact N-O 2.96Å; S553-F582 PolarHBondContact O-N 3.36Å; D554-F582 WeakPolarHBondContact O-CD2 3.43Å; D554-F582 WeakPolarHBondContact O-CE2 3.47Å; P556-F582 HydrophobicContact CB-CD1 3.97Å; P556-F582 HydrophobicContact CB-CE1 4.14Å; P556-F582 HydrophobicContact CB-CG 4.3Å; P556-F582 HydrophobicContact CG-CE1 4.43Å; P556-F582 HydrophobicContact CG-CZ 4.49Å; F563-F582 HydrophobicContact CB-CE1 4.12Å; F563-F582 HydrophobicContact CD1-CD1 4.43Å; F563-F582 HydrophobicContact CD1-CE1 4.16Å; F563-F582 HydrophobicContact CD2-CD1 4.39Å; F563-F582 AromaticContact CD2-CE1 3.97Å; F563-F582 HydrophobicContact CD2-CE1 3.97Å; F563-F582 HydrophobicContact CE1-CD1 4.34Å; F563-F582 HydrophobicContact CE2-CD1 4.4Å; F563-F582 HydrophobicContact CE2-CE1 4.43Å; F563-F582 HydrophobicContact CG-CD1 4.41Å; F563-F582 AromaticContact CG-CE1 3.83Å; F563-F582 HydrophobicContact CG-CE1 3.83Å; F563-F582 HydrophobicContact CZ-CD1 4.36Å; T565-F582 HydrophobicContact CG2-CZ 4.31Å
583S88.3Confident72.8Confident5 Ų556 Ų564%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-99.3117.4179.7163.80000111.1C173 K174 L550 Q551C173-S583 CarbonylContact C-O 3.54Å; C173-S583 WeakPolarHBondContact CA-O 3.39Å; K174-S583 PolarHBondContact N-O 3.35Å; L550-S583 WeakPolarHBondContact CD1-OG 3.4Å; Q551-S583 CarbonylContact O-C 3.52Å; Q551-S583 WeakPolarHBondContact O-CA 3.4Å
584T89.4Confident74.3Confident7 Ų757.2 Ų57.24%0.04334%0.337CS..EExtended strand (participates in β ladder)trans-115.5116.8175.2-57.70000110.1I171 T172 C173 Q551 L557I171-T584 HydrophobicContact CG2-CG2 3.44Å; I171-T584 VanDerWaalsContact CG2-CG2 3.44Å; T172-T584 CarbonylContact O-C 3.51Å; T172-T584 WeakPolarHBondContact O-CA 3.47Å; C173-T584 PolarHBondContact SG-OG1 2.93Å; C173-T584 VanDerWaalsContact SG-OG1 3.37Å; Q551-T584 PolarHBondContact N-O 3.3Å; Q551-T584 PolarHBondContact O-N 2.9Å; L557-T584 HydrophobicContact CD1-CG2 4.37Å
585T90.3Very high76.3Confident10 Ų1055.7 Ų55.76%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-107.7127.1175.6-58.40000110T172 L189 S549 L550T172-T585 PolarHBondContact N-O 3.01Å; T172-T585 PolarHBondContact O-N 3.22Å; T172-T585 VanDerWaalsContact O-O 3.12Å; T172-T585 WeakPolarHBondContact OG1-CB 3.43Å; T172-T585 PolarHBondContact OG1-O 3.41Å; T172-T585 VanDerWaalsContact OG1-O 3.08Å; L189-T585 HydrophobicContact CD1-CG2 4.42Å; S549-T585 CarbonylContact O-C 3.42Å; S549-T585 WeakPolarHBondContact O-CA 3.2Å; L550-T585 WeakPolarHBondContact CD1-OG1 3.4Å
586M89.4Confident78.6Confident5 Ų551 Ų513%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-116.2135.7176175.9166.217100110.6Y50 W138 Y169 S170 I171 T548 S549Y50-M586 HydrophobicContact CD1-CE 4.23Å; Y50-M586 HydrophobicContact CD2-CE 3.18Å; Y50-M586 HydrophobicContact CD2-SD 3.3Å; Y50-M586 WeakPolarHBondContact CD2-SD 2.99Å; Y50-M586 HydrophobicContact CE1-CE 4.43Å; Y50-M586 HydrophobicContact CE2-CE 3.48Å; Y50-M586 VanDerWaalsContact CE2-CE 3.48Å; Y50-M586 HydrophobicContact CE2-CG 4.09Å; Y50-M586 HydrophobicContact CE2-SD 3.15Å; Y50-M586 WeakPolarHBondContact CE2-SD 3.4Å; Y50-M586 HydrophobicContact CG-CE 3.6Å; Y50-M586 HydrophobicContact CG-SD 4.31Å; W138-M586 HydrophobicContact CH2-CE 3.89Å; Y169-M586 HydrophobicContact CD1-CE 3.28Å; Y169-M586 HydrophobicContact CE1-CE 3.89Å; Y169-M586 HydrophobicContact CG-CE 3.98Å; S170-M586 WeakPolarHBondContact O-CA 3.3Å; I171-M586 HydrophobicContact CD1-SD 3.91Å; I171-M586 HydrophobicContact CG1-CB 4.18Å; I171-M586 HydrophobicContact CG1-CG 3.96Å; I171-M586 HydrophobicContact CG1-SD 3.91Å; T548-M586 CarbonylContact C-O 3.59Å; T548-M586 WeakPolarHBondContact CA-O 3.31Å; S549-M586 PolarHBondContact N-O 3.13Å; S549-M586 PolarHBondContact O-N 3.39Å
587C90.5Very high80.8Confident7 Ų744.4 Ų44.45%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-130.7132.4177.5-59.30000110.8Y169 S170Y169-C587 WeakPolarHBondContact CA-O 3.39Å; S170-C587 PolarHBondContact N-O 3.12Å; S170-C587 PolarHBondContact O-N 3.19Å
588C90.5Very high82.4Confident4 Ų438.8 Ų38.83%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-110.1135.8176176.10000110.2L168 Y169 H197 R547L168-C588 CarbonylContact O-C 3.55Å; L168-C588 WeakPolarHBondContact O-CA 3.48Å; Y169-C588 HydrophobicContact CD1-CB 3.61Å; Y169-C588 HydrophobicContact CE1-CB 3.53Å; Y169-C588 WeakPolarHBondContact CE1-SG 3.49Å; H197-C588 PolarHBondContact CE1-O 3.04Å; H197-C588 PolarHBondContact NE2-O 3.13Å; H197-C588 VanDerWaalsContact NE2-O 3.11Å; R547-C588 WeakPolarHBondContact O-CB 3.31Å; R547-C588 PolarHBondContact O-N 2.89Å
589S88.7Confident83.9Confident24 Ų2435.4 Ų35.417%0.16821%0.209CC..EExtended strand (participates in β ladder)trans-129.6135.8175.5-34.10000110.3K167 L168 R196K167-S589 CarbonylContact C-O 3.59Å; K167-S589 VanDerWaalsContact CA-O 3.31Å; K167-S589 WeakPolarHBondContact CA-O 3.48Å; L168-S589 PolarHBondContact N-O 2.89Å; L168-S589 PolarHBondContact O-N 3.11Å; R196-S589 PolarHBondContact NH1-OG 3.33Å; R196-S589 VanDerWaalsContact NH1-OG 3.14Å
590F88.9Confident85.1Confident39 Ų3933.1 Ų33.117%0.17119%0.193CC..EExtended strand (participates in β ladder)trans-100.6126178.1176.4-102.5000110.7V157 K167 R544 V546V157-F590 HydrophobicContact CB-CE2 3.95Å; V157-F590 HydrophobicContact CG1-CE2 4.14Å; V157-F590 HydrophobicContact CG2-CD2 4.21Å; V157-F590 HydrophobicContact CG2-CE2 4.04Å; K167-F590 HydrophobicContact CG-CB 4.47Å; K167-F590 HydrophobicContact CG-CD2 4.04Å; R544-F590 HydrophobicContact CB-CD1 4.4Å; R544-F590 HydrophobicContact CG-CD1 4.16Å; R544-F590 HydrophobicContact CG-CE1 3.84Å; R544-F590 HydrophobicContact CG-CZ 4.12Å; V546-F590 HydrophobicContact CG1-CB 3.72Å
591N87.1Confident85.7Confident78 Ų7834.4 Ų34.442%0.41720%0.197SC..EExtended strand (participates in β ladder)trans-113.2121.4174-67.4-20.4000109.3G165 I166 L168G165-N591 CarbonylContact C-O 3.57Å; G165-N591 WeakPolarHBondContact CA-O 3.47Å; I166-N591 HydrophobicContact CG2-CB 3.96Å; I166-N591 PolarHBondContact N-O 3.25Å; I166-N591 PolarHBondContact O-N 3.12Å; L168-N591 WeakPolarHBondContact CD1-ND2 3.32Å
592S84.5Confident86Confident58 Ų5836.1 Ų36.141%0.40621%0.208SC..EExtended strand (participates in β ladder)trans-72.3138.6172.8-1770000110.1V594S592-V594 VanDerWaalsContact C-N 3.34Å; S592-V594 PolarHBondContact OG-N 3.21Å; S592-V594 VanDerWaalsContact OG-N 3.1Å; S592-V594 PolarHBondContact OG-O 3Å
593F81Confident86Confident42 Ų4237.8 Ų37.818%0.18422%0.22CC..  trans-89.2-6.8166.5-64.8-40.4000113T118 N122 V163 A164 I166T118-F593 HydrophobicContact CG2-CE1 3.81Å; T118-F593 HydrophobicContact CG2-CZ 3.97Å; N122-F593 HydrophobicContact CB-CD1 4.21Å; N122-F593 HydrophobicContact CB-CE1 4.11Å; N122-F593 HydrophobicContact CB-CZ 4.31Å; V163-F593 HydrophobicContact CG1-CD2 3.62Å; V163-F593 HydrophobicContact CG1-CE2 3.67Å; A164-F593 PolarHBondContact O-N 2.94Å; I166-F593 HydrophobicContact CB-CE1 4.35Å; I166-F593 HydrophobicContact CB-CE2 4.24Å; I166-F593 HydrophobicContact CB-CZ 3.7Å; I166-F593 HydrophobicContact CG2-CE1 3.87Å; I166-F593 HydrophobicContact CG2-CZ 3.72Å
594V63Low85.8Confident174 Ų17440.7 Ų40.7100%1.05524%0.237SC*.  trans-97.30175.9-1720000110.2S592S592-V594 VanDerWaalsContact C-N 3.34Å; S592-V594 PolarHBondContact OG-N 3.21Å; S592-V594 VanDerWaalsContact OG-N 3.1Å; S592-V594 PolarHBondContact OG-O 3Å

Retrieved 594 of 594 residues in 453.7 ms (Link to these results)

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