A0A077ZC80_TRITR Loading...

p450 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC80, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 503 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
1M63Low83.9Confident150 Ų150117.5 Ų117.574%0.73957%0.566SS**  0122.70-98.9164.951.500107.8Q5 I6 I9M1-Q5 VanDerWaalsContact CA-OE1 3.26Å; M1-Q5 HydrophobicContact CB-CB 4.42Å; M1-Q5 HydrophobicContact CG-CB 4.14Å; M1-I6 HydrophobicContact CB-CD1 4.38Å; M1-I6 HydrophobicContact CB-CG1 4.12Å; M1-I6 HydrophobicContact CE-CB 4.21Å; M1-I6 HydrophobicContact CE-CD1 4.38Å; M1-I6 HydrophobicContact CE-CG1 3.28Å; M1-I9 HydrophobicContact CE-CD1 3.66Å; M1-I9 HydrophobicContact SD-CD1 4.28Å
2E81Confident84.5Confident139 Ų139113.1 Ų113.165%0.6556%0.557SS**  trans-65.3150.3172.1-65.8-166.9161.100110W4 Q5 I6E2-W4 PolarHBondContact O-N 2.82Å; E2-Q5 WeakPolarHBondContact O-CB 3.26Å; E2-Q5 PolarHBondContact O-N 2.74Å; E2-I6 PolarHBondContact O-N 2.9Å
3L82Confident85.1Confident125 Ų125110.1 Ų110.165%0.65455%0.549SS*.Hα-helixtrans-48.8-36.1-179.5-16586.8000112.1I6 L7L3-I6 PolarHBondContact O-N 3.29Å; L3-L7 HydrophobicContact CD2-CD1 4.17Å; L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 WeakPolarHBondContact O-CB 3.34Å; L3-L7 WeakPolarHBondContact O-CG 3.28Å; L3-L7 PolarHBondContact O-N 3.43Å
4W82.7Confident85.7Confident198 Ų198106.4 Ų106.475%0.7555%0.545SS*.Hα-helixtrans-64.2-36.2176.2-64.2109.3000114.2E2 L7 G8E2-W4 PolarHBondContact O-N 2.82Å; W4-L7 HydrophobicContact CE3-CD1 4.49Å; W4-G8 PolarHBondContact O-N 3.46Å
5Q82.8Confident86.2Confident105 Ų105104.3 Ų104.349%0.49153%0.534SS..Hα-helixtrans-69.7-39.8175.8-67.7177.1-27.100110.9M1 E2 G8 I9M1-Q5 VanDerWaalsContact CA-OE1 3.26Å; M1-Q5 HydrophobicContact CB-CB 4.42Å; M1-Q5 HydrophobicContact CG-CB 4.14Å; E2-Q5 WeakPolarHBondContact O-CB 3.26Å; E2-Q5 PolarHBondContact O-N 2.74Å; Q5-G8 PolarHBondContact O-N 3.46Å; Q5-I9 VanDerWaalsContact O-CG1 3.29Å; Q5-I9 WeakPolarHBondContact O-CG1 3.42Å; Q5-I9 PolarHBondContact O-N 3.49Å
6I84.3Confident86.7Confident65 Ų65101.3 Ų101.333%0.33353%0.53SS..Hα-helixtrans-62.3-51.2174.2-67.2165.3000110M1 E2 L3 G8 I9 F10M1-I6 HydrophobicContact CB-CD1 4.38Å; M1-I6 HydrophobicContact CB-CG1 4.12Å; M1-I6 HydrophobicContact CE-CB 4.21Å; M1-I6 HydrophobicContact CE-CD1 4.38Å; M1-I6 HydrophobicContact CE-CG1 3.28Å; E2-I6 PolarHBondContact O-N 2.9Å; L3-I6 PolarHBondContact O-N 3.29Å; I6-G8 VanDerWaalsContact C-N 3.3Å; I6-G8 PolarHBondContact O-N 3.1Å; I6-I9 PolarHBondContact O-N 2.96Å; I6-F10 HydrophobicContact CG2-CD2 3.59Å; I6-F10 HydrophobicContact CG2-CE2 3.5Å; I6-F10 VanDerWaalsContact O-CD2 3.26Å; I6-F10 WeakPolarHBondContact O-CD2 3.41Å; I6-F10 PolarHBondContact O-N 3.37Å
7L86.1Confident87.2Confident91 Ų91100.9 Ų100.948%0.47653%0.532SS..Hα-helixtrans-59.6-40177.8-73.2169000112.1L3 W4 F10 F11L3-L7 HydrophobicContact CD2-CD1 4.17Å; L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 WeakPolarHBondContact O-CB 3.34Å; L3-L7 WeakPolarHBondContact O-CG 3.28Å; L3-L7 PolarHBondContact O-N 3.43Å; W4-L7 HydrophobicContact CE3-CD1 4.49Å; L7-F10 PolarHBondContact O-N 2.87Å; L7-F11 VanDerWaalsContact O-CB 3.31Å; L7-F11 WeakPolarHBondContact O-CB 3.34Å; L7-F11 PolarHBondContact O-N 3.03Å
8G89.2Confident87.4Confident39 Ų3998.2 Ų98.240%0.40253%0.527SS..Hα-helixtrans-62.3-43.3175.600000113W4 Q5 I6 F11 S12W4-G8 PolarHBondContact O-N 3.46Å; Q5-G8 PolarHBondContact O-N 3.46Å; I6-G8 VanDerWaalsContact C-N 3.3Å; I6-G8 PolarHBondContact O-N 3.1Å; G8-F11 PolarHBondContact O-N 3.48Å; G8-S12 WeakPolarHBondContact O-CB 3.43Å; G8-S12 PolarHBondContact O-N 3.4Å; G8-S12 PolarHBondContact O-OG 3.01Å
9I89.4Confident87.8Confident90 Ų9098 Ų9846%0.46252%0.524SS..Hα-helixtrans-66.6-42.7176.1-67.7165.1000111M1 Q5 I6 F11 S12 T13M1-I9 HydrophobicContact CE-CD1 3.66Å; M1-I9 HydrophobicContact SD-CD1 4.28Å; Q5-I9 VanDerWaalsContact O-CG1 3.29Å; Q5-I9 WeakPolarHBondContact O-CG1 3.42Å; Q5-I9 PolarHBondContact O-N 3.49Å; I6-I9 PolarHBondContact O-N 2.96Å; I9-F11 VanDerWaalsContact C-N 3.35Å; I9-F11 PolarHBondContact O-N 3.4Å; I9-S12 WeakPolarHBondContact CA-OG 3.28Å; I9-S12 PolarHBondContact O-N 3.43Å; I9-S12 PolarHBondContact O-OG 2.85Å; I9-T13 VanDerWaalsContact O-CB 3.28Å; I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 3.06Å; I9-T13 PolarHBondContact O-OG1 2.72Å
10F90.9Very high88.1Confident145 Ų14596.8 Ų96.864%0.63652%0.523SS*.Hα-helixtrans-61.7-44175.7-86.5-71000111.7I6 L7 T13 A14I6-F10 HydrophobicContact CG2-CD2 3.59Å; I6-F10 HydrophobicContact CG2-CE2 3.5Å; I6-F10 VanDerWaalsContact O-CD2 3.26Å; I6-F10 WeakPolarHBondContact O-CD2 3.41Å; I6-F10 PolarHBondContact O-N 3.37Å; L7-F10 PolarHBondContact O-N 2.87Å; F10-T13 PolarHBondContact O-N 3.42Å; F10-A14 VanDerWaalsContact O-CB 3.32Å; F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.19Å
11F91.4Very high88.4Confident145 Ų14599.3 Ų99.364%0.63653%0.525SS*.Hα-helixtrans-65.4-44.6179-172.8-106000112.2L7 G8 I9 A14 I15L7-F11 VanDerWaalsContact O-CB 3.31Å; L7-F11 WeakPolarHBondContact O-CB 3.34Å; L7-F11 PolarHBondContact O-N 3.03Å; G8-F11 PolarHBondContact O-N 3.48Å; I9-F11 VanDerWaalsContact C-N 3.35Å; I9-F11 PolarHBondContact O-N 3.4Å; F11-A14 PolarHBondContact O-N 3.31Å; F11-I15 HydrophobicContact CD1-CD1 3.66Å; F11-I15 HydrophobicContact CE1-CD1 3.25Å; F11-I15 HydrophobicContact CE1-CG1 4.36Å; F11-I15 HydrophobicContact CE2-CD1 4.38Å; F11-I15 HydrophobicContact CG-CD1 4.4Å; F11-I15 HydrophobicContact CZ-CD1 3.66Å; F11-I15 HydrophobicContact CZ-CG1 4.45Å; F11-I15 WeakPolarHBondContact O-CG1 3.46Å; F11-I15 PolarHBondContact O-N 2.92Å
12S91.3Very high89.9Confident65 Ų6593.8 Ų93.846%0.45550%0.5SS..Hα-helixtrans-65.2-40.4177.265.90000112.1G8 I9 I15 A16G8-S12 WeakPolarHBondContact O-CB 3.43Å; G8-S12 PolarHBondContact O-N 3.4Å; G8-S12 PolarHBondContact O-OG 3.01Å; I9-S12 WeakPolarHBondContact CA-OG 3.28Å; I9-S12 PolarHBondContact O-N 3.43Å; I9-S12 PolarHBondContact O-OG 2.85Å; S12-I15 PolarHBondContact O-N 3.33Å; S12-A16 WeakPolarHBondContact O-CB 3.45Å; S12-A16 PolarHBondContact O-N 3.25Å
13T92.8Very high90.6Very high74 Ų7491.7 Ų91.745%0.45449%0.492SS..Hα-helixtrans-63.5-43.8175.2-53.60000111I9 F10 I15 A16 V17I9-T13 VanDerWaalsContact O-CB 3.28Å; I9-T13 WeakPolarHBondContact O-CB 3.49Å; I9-T13 PolarHBondContact O-N 3.06Å; I9-T13 PolarHBondContact O-OG1 2.72Å; F10-T13 PolarHBondContact O-N 3.42Å; T13-I15 PolarHBondContact O-N 3.12Å; T13-A16 PolarHBondContact O-N 3.44Å; T13-V17 HydrophobicContact CG2-CG2 4.48Å; T13-V17 VanDerWaalsContact O-CG2 3.31Å; T13-V17 WeakPolarHBondContact O-CG2 3.21Å; T13-V17 PolarHBondContact O-N 2.71Å
14A92.9Very high91.2Very high59 Ų5989.1 Ų89.149%0.48848%0.484SS..Hα-helixtrans-61.6-41.917700000112.2F10 F11 V17 A18F10-A14 VanDerWaalsContact O-CB 3.32Å; F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.19Å; F11-A14 PolarHBondContact O-N 3.31Å; A14-V17 PolarHBondContact O-N 2.78Å; A14-A18 WeakPolarHBondContact O-CB 3.34Å; A14-A18 PolarHBondContact O-N 3.28Å
15I92.9Very high91.7Very high74 Ų7483.5 Ų83.538%0.37947%0.465SS..Hα-helixtrans-63.2-46.6174.3-70.9170.1000110.9F11 S12 T13 V17 A18 I19F11-I15 HydrophobicContact CD1-CD1 3.66Å; F11-I15 HydrophobicContact CE1-CD1 3.25Å; F11-I15 HydrophobicContact CE1-CG1 4.36Å; F11-I15 HydrophobicContact CE2-CD1 4.38Å; F11-I15 HydrophobicContact CG-CD1 4.4Å; F11-I15 HydrophobicContact CZ-CD1 3.66Å; F11-I15 HydrophobicContact CZ-CG1 4.45Å; F11-I15 WeakPolarHBondContact O-CG1 3.46Å; F11-I15 PolarHBondContact O-N 2.92Å; S12-I15 PolarHBondContact O-N 3.33Å; T13-I15 PolarHBondContact O-N 3.12Å; I15-V17 VanDerWaalsContact C-N 3.33Å; I15-V17 PolarHBondContact O-N 3.3Å; I15-A18 PolarHBondContact O-N 3.4Å; I15-I19 HydrophobicContact CG2-CD1 3.67Å; I15-I19 HydrophobicContact CG2-CG1 4.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.46Å; I15-I19 PolarHBondContact O-N 3.02Å
16A93.9Very high92.3Very high57 Ų5779.6 Ų79.647%0.47145%0.447SS..Hα-helixtrans-60.7-42.5179.500000111.9S12 T13 I19 C20S12-A16 WeakPolarHBondContact O-CB 3.45Å; S12-A16 PolarHBondContact O-N 3.25Å; T13-A16 PolarHBondContact O-N 3.44Å; A16-I19 PolarHBondContact O-N 2.92Å; A16-C20 WeakPolarHBondContact O-CB 3.42Å; A16-C20 PolarHBondContact O-N 3.38Å
17V95Very high92.9Very high95 Ų9580.3 Ų80.358%0.57645%0.454SS*.Hα-helixtrans-62.3-43.8174.51710000111T13 A14 I15 C20 W21T13-V17 HydrophobicContact CG2-CG2 4.48Å; T13-V17 VanDerWaalsContact O-CG2 3.31Å; T13-V17 WeakPolarHBondContact O-CG2 3.21Å; T13-V17 PolarHBondContact O-N 2.71Å; A14-V17 PolarHBondContact O-N 2.78Å; I15-V17 VanDerWaalsContact C-N 3.33Å; I15-V17 PolarHBondContact O-N 3.3Å; V17-C20 PolarHBondContact O-N 3.22Å; V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 3.02Å
18A92.2Very high93.3Very high52 Ų5279.7 Ų79.743%0.4346%0.457SS..Hα-helixtrans-63.2-44177.600000112.2A14 I15 W21 V22A14-A18 WeakPolarHBondContact O-CB 3.34Å; A14-A18 PolarHBondContact O-N 3.28Å; I15-A18 PolarHBondContact O-N 3.4Å; A18-W21 PolarHBondContact O-N 2.95Å; A18-V22 WeakPolarHBondContact O-CG2 3.4Å; A18-V22 PolarHBondContact O-N 3.04Å
19I93.6Very high93.6Very high94 Ų9478.7 Ų78.748%0.48244%0.443SS..Hα-helixtrans-62.4-47176.3-68.1169.7000110.4I15 A16 W21 V22 I23I15-I19 HydrophobicContact CG2-CD1 3.67Å; I15-I19 HydrophobicContact CG2-CG1 4.28Å; I15-I19 WeakPolarHBondContact O-CG1 3.46Å; I15-I19 PolarHBondContact O-N 3.02Å; A16-I19 PolarHBondContact O-N 2.92Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 2.74Å; I19-V22 PolarHBondContact O-N 2.8Å; I19-I23 HydrophobicContact CG2-CD1 3.78Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CG1 3.28Å; I19-I23 PolarHBondContact O-N 3.06Å
20C95.2Very high93.8Very high74 Ų7476.9 Ų76.950%0.543%0.434SS..Hα-helixtrans-59-45.2177.4-174.50000111.2A16 V17 V22 I23 C24A16-C20 WeakPolarHBondContact O-CB 3.42Å; A16-C20 PolarHBondContact O-N 3.38Å; V17-C20 PolarHBondContact O-N 3.22Å; C20-V22 PolarHBondContact O-N 3.49Å; C20-I23 PolarHBondContact O-N 3.01Å; C20-C24 WeakPolarHBondContact O-CB 3.41Å; C20-C24 PolarHBondContact O-N 3.38Å; C20-C24 PolarHBondContact O-SG 3.29Å; C20-C24 VanDerWaalsContact O-SG 3.33Å
21W94.6Very high94Very high149 Ų14972.1 Ų72.156%0.56442%0.421SS*.Hα-helixtrans-59.7-44.4175.4178.584.4000112.3V17 A18 I19 C24 K25 F82V17-W21 WeakPolarHBondContact O-CB 3.4Å; V17-W21 PolarHBondContact O-N 3.02Å; A18-W21 PolarHBondContact O-N 2.95Å; I19-W21 VanDerWaalsContact C-N 3.32Å; I19-W21 PolarHBondContact O-N 2.74Å; W21-C24 PolarHBondContact O-N 3.05Å; W21-K25 VanDerWaalsContact O-CB 3.29Å; W21-K25 WeakPolarHBondContact O-CB 3.48Å; W21-K25 PolarHBondContact O-N 2.96Å; W21-F82 HydrophobicContact CH2-CE2 4.4Å; W21-F82 HydrophobicContact CZ3-CE2 4.37Å; W21-F82 HydrophobicContact CZ3-CZ 4.2Å
22V93.4Very high94.1Very high34 Ų3466.5 Ų66.521%0.20640%0.4CS..Hα-helixtrans-61.4-46.6176.4167.90000111.2A18 I19 C20 K25 I26 L47 F82A18-V22 WeakPolarHBondContact O-CG2 3.4Å; A18-V22 PolarHBondContact O-N 3.04Å; I19-V22 PolarHBondContact O-N 2.8Å; C20-V22 PolarHBondContact O-N 3.49Å; V22-K25 PolarHBondContact O-N 3.04Å; V22-I26 HydrophobicContact CG1-CD1 3.65Å; V22-I26 HydrophobicContact CG1-CG1 4.44Å; V22-I26 WeakPolarHBondContact O-CG1 3.36Å; V22-I26 PolarHBondContact O-N 2.85Å; V22-L47 HydrophobicContact CG1-CD1 4.18Å; V22-F82 HydrophobicContact CG1-CD1 3.98Å; V22-F82 HydrophobicContact CG1-CE1 4.18Å; V22-F82 HydrophobicContact CG2-CD1 4.3Å; V22-F82 HydrophobicContact CG2-CE1 3.84Å
23I95.3Very high94.2Very high96 Ų9665.8 Ų65.849%0.49239%0.394SS..Hα-helixtrans-60.7-50.4178.3-68.2169.3000110I19 C20 K25 I26 T27I19-I23 HydrophobicContact CG2-CD1 3.78Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CG1 3.28Å; I19-I23 PolarHBondContact O-N 3.06Å; C20-I23 PolarHBondContact O-N 3.01Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 2.56Å; I23-I26 PolarHBondContact O-N 3.39Å; I23-T27 HydrophobicContact CG2-CG2 4.29Å; I23-T27 WeakPolarHBondContact O-CG2 3.41Å; I23-T27 PolarHBondContact O-N 2.84Å; I23-T27 PolarHBondContact O-OG1 3.14Å; I23-T27 VanDerWaalsContact O-OG1 3.06Å
24C95Very high94.2Very high70 Ų7062.4 Ų62.447%0.47337%0.373SS..Hα-helixtrans-58.5-38.6177.3-73.60000112.4C20 W21 T27 S28C20-C24 WeakPolarHBondContact O-CB 3.41Å; C20-C24 PolarHBondContact O-N 3.38Å; C20-C24 PolarHBondContact O-SG 3.29Å; C20-C24 VanDerWaalsContact O-SG 3.33Å; W21-C24 PolarHBondContact O-N 3.05Å; C24-T27 WeakPolarHBondContact CA-OG1 3.21Å; C24-T27 PolarHBondContact O-OG1 3.21Å; C24-T27 VanDerWaalsContact O-OG1 3.13Å; C24-S28 WeakPolarHBondContact O-CB 3.15Å; C24-S28 PolarHBondContact O-N 2.99Å
25K94.2Very high94.3Very high81 Ų8159.9 Ų59.935%0.35235%0.352SS..Hα-helixtrans-67-46.7178.2-170.764.8176.3174.30111.3W21 V22 I23 N29 F82W21-K25 VanDerWaalsContact O-CB 3.29Å; W21-K25 WeakPolarHBondContact O-CB 3.48Å; W21-K25 PolarHBondContact O-N 2.96Å; V22-K25 PolarHBondContact O-N 3.04Å; I23-K25 VanDerWaalsContact C-N 3.27Å; I23-K25 PolarHBondContact O-N 2.56Å; K25-N29 VanDerWaalsContact O-CB 3.3Å; K25-N29 WeakPolarHBondContact O-CB 3.49Å; K25-N29 PolarHBondContact O-N 2.41Å; K25-N29 PolarHBondContact O-ND2 3.45Å; K25-F82 HydrophobicContact CG-CB 3.99Å; K25-F82 HydrophobicContact CG-CG 4.5Å
26I95.6Very high94.3Very high23 Ų2365 Ų6512%0.11837%0.367CS..Hα-helixtrans-62.3-48.5177.9-69.7165.9000110.6V22 I23 S28 N29 L30 Y46 F82 C83V22-I26 HydrophobicContact CG1-CD1 3.65Å; V22-I26 HydrophobicContact CG1-CG1 4.44Å; V22-I26 WeakPolarHBondContact O-CG1 3.36Å; V22-I26 PolarHBondContact O-N 2.85Å; I23-I26 PolarHBondContact O-N 3.39Å; I26-S28 PolarHBondContact O-N 3.19Å; I26-N29 PolarHBondContact O-N 3.21Å; I26-L30 HydrophobicContact CG2-CD1 3.78Å; I26-L30 HydrophobicContact CG2-CG 4.39Å; I26-L30 WeakPolarHBondContact O-CB 3.43Å; I26-L30 WeakPolarHBondContact O-CG 3.34Å; I26-L30 PolarHBondContact O-N 3.02Å; I26-Y46 HydrophobicContact CG2-CD1 4.25Å; I26-F82 HydrophobicContact CG1-CB 4.01Å; I26-C83 HydrophobicContact CG2-CB 4.46Å
27T95.5Very high94.3Very high79 Ų7967.2 Ų67.249%0.48537%0.37SS..Hα-helixtrans-64.8-42.2-178.455.20000111.8I23 C24 L30 A31I23-T27 HydrophobicContact CG2-CG2 4.29Å; I23-T27 WeakPolarHBondContact O-CG2 3.41Å; I23-T27 PolarHBondContact O-N 2.84Å; I23-T27 PolarHBondContact O-OG1 3.14Å; I23-T27 VanDerWaalsContact O-OG1 3.06Å; C24-T27 WeakPolarHBondContact CA-OG1 3.21Å; C24-T27 PolarHBondContact O-OG1 3.21Å; C24-T27 VanDerWaalsContact O-OG1 3.13Å; T27-L30 PolarHBondContact O-N 3.42Å; T27-A31 VanDerWaalsContact O-CB 3.26Å; T27-A31 WeakPolarHBondContact O-CB 3.46Å; T27-A31 PolarHBondContact O-N 2.82Å
28S94.8Very high94.3Very high78 Ų7863 Ų6355%0.54534%0.344SS..Hα-helixtrans-61-46.9174.5179.60000111.8C24 I26 L30 A31 S32C24-S28 WeakPolarHBondContact O-CB 3.15Å; C24-S28 PolarHBondContact O-N 2.99Å; I26-S28 PolarHBondContact O-N 3.19Å; S28-L30 PolarHBondContact O-N 2.85Å; S28-A31 PolarHBondContact O-N 3.44Å; S28-S32 PolarHBondContact O-N 3.38Å; S28-S32 VanDerWaalsContact O-N 3.16Å
29N95Very high94.5Very high18 Ų1862.3 Ų62.310%0.09634%0.335CS..Hα-helixtrans-63.2-43.1179.1-75.2-16.3000112.1K25 I26 A31 S32 S35 F82 C83 E84K25-N29 VanDerWaalsContact O-CB 3.3Å; K25-N29 WeakPolarHBondContact O-CB 3.49Å; K25-N29 PolarHBondContact O-N 2.41Å; K25-N29 PolarHBondContact O-ND2 3.45Å; I26-N29 PolarHBondContact O-N 3.21Å; N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 2.97Å; N29-S32 WeakPolarHBondContact O-CB 3.38Å; N29-S32 PolarHBondContact O-N 2.92Å; N29-S32 PolarHBondContact O-OG 3.31Å; N29-S35 WeakPolarHBondContact O-CB 3.4Å; N29-S35 PolarHBondContact O-OG 3.02Å; N29-F82 PolarHBondContact ND2-O 3.27Å; N29-C83 VanDerWaalsContact CB-O 3.26Å; N29-C83 WeakPolarHBondContact CB-O 3.16Å; N29-E84 WeakPolarHBondContact ND2-CA 3.28Å; N29-E84 PolarHBondContact ND2-N 3.01Å
30L95.2Very high94.7Very high53 Ų5358.4 Ų58.428%0.27732%0.318SS..Hα-helixtrans-69.1-26.1176.1-70173.7000113I26 T27 S28 S32 S35 Y46 Y79 C83I26-L30 HydrophobicContact CG2-CD1 3.78Å; I26-L30 HydrophobicContact CG2-CG 4.39Å; I26-L30 WeakPolarHBondContact O-CB 3.43Å; I26-L30 WeakPolarHBondContact O-CG 3.34Å; I26-L30 PolarHBondContact O-N 3.02Å; T27-L30 PolarHBondContact O-N 3.42Å; S28-L30 PolarHBondContact O-N 2.85Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S35 WeakPolarHBondContact O-CB 3.42Å; L30-Y46 HydrophobicContact CD1-CD1 3.99Å; L30-Y46 HydrophobicContact CD1-CE1 3.87Å; L30-Y79 HydrophobicContact CD2-CE1 4.17Å; L30-C83 HydrophobicContact CD2-CB 3.89Å; L30-C83 HydrophobicContact CG-CB 4.01Å
31A94.7Very high94.6Very high44 Ų4455.3 Ų55.336%0.36430%0.297SS..Hα-helixtrans-79-13.7174.900000113.5T27 S28 N29 R36T27-A31 VanDerWaalsContact O-CB 3.26Å; T27-A31 WeakPolarHBondContact O-CB 3.46Å; T27-A31 PolarHBondContact O-N 2.82Å; S28-A31 PolarHBondContact O-N 3.44Å; N29-A31 VanDerWaalsContact C-N 3.29Å; N29-A31 PolarHBondContact O-N 2.97Å; A31-R36 PolarHBondContact O-NE 2.57Å
32S93.7Very high94.6Very high28 Ų2856.7 Ų56.720%0.19631%0.307CS..SBendtrans-61.1150.8-177.973.90000112.5S28 N29 L30 V34 S35 R36S28-S32 PolarHBondContact O-N 3.38Å; S28-S32 VanDerWaalsContact O-N 3.16Å; N29-S32 WeakPolarHBondContact O-CB 3.38Å; N29-S32 PolarHBondContact O-N 2.92Å; N29-S32 PolarHBondContact O-OG 3.31Å; L30-S32 VanDerWaalsContact C-N 3.31Å; S32-V34 PolarHBondContact O-N 3.17Å; S32-S35 PolarHBondContact O-N 3.04Å; S32-S35 VanDerWaalsContact O-N 3.14Å; S32-S35 PolarHBondContact OG-N 2.78Å; S32-S35 PolarHBondContact OG-OG 3.13Å; S32-S35 VanDerWaalsContact OG-OG 3.12Å; S32-R36 PolarHBondContact O-N 2.84Å; S32-R36 VanDerWaalsContact O-N 3.12Å
33P91.9Very high94.5Very high49 Ų4956.5 Ų56.532%0.31831%0.307SS..Hα-helixtrans-55.3-38.8175.9-25.634.4000112.2S35 R36 L37 Y397 P399P33-S35 PolarHBondContact O-N 2.98Å; P33-R36 PolarHBondContact O-N 2.87Å; P33-L37 HydrophobicContact CB-CD1 4.17Å; P33-L37 VanDerWaalsContact O-CB 3.25Å; P33-L37 WeakPolarHBondContact O-CB 3.23Å; P33-L37 WeakPolarHBondContact O-CG 3.32Å; P33-L37 PolarHBondContact O-N 3.25Å; P33-Y397 HydrophobicContact CB-CD1 4.05Å; P33-Y397 HydrophobicContact CG-CD1 4.28Å; P33-Y397 HydrophobicContact CG-CE1 4.47Å; P33-P399 HydrophobicContact CG-CG 4.32Å
34V94Very high94.2Very high4 Ų455.1 Ų55.12%0.02431%0.309CS..Hα-helixtrans-60.2-47.5179.2-177.80000110.9S32 R36 L38 R77 P85 I87 T402S32-V34 PolarHBondContact O-N 3.17Å; V34-R36 VanDerWaalsContact C-N 3.34Å; V34-R36 PolarHBondContact O-N 2.78Å; V34-L38 HydrophobicContact CB-CD1 4.49Å; V34-L38 HydrophobicContact CG1-CD1 4.16Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 PolarHBondContact O-N 2.7Å; V34-R77 HydrophobicContact CG1-CB 4.41Å; V34-R77 WeakPolarHBondContact O-CD 3.32Å; V34-P85 HydrophobicContact CB-CB 4.23Å; V34-P85 HydrophobicContact CB-CG 4.14Å; V34-P85 HydrophobicContact CG1-CB 3.8Å; V34-P85 HydrophobicContact CG1-CG 4.2Å; V34-I87 HydrophobicContact CG1-CD1 3.95Å; V34-I87 HydrophobicContact CG1-CG1 3.56Å; V34-I87 HydrophobicContact CG2-CD1 4.09Å; V34-T402 HydrophobicContact CG2-CG2 4.27Å
35S94.4Very high94Very high6 Ų653.8 Ų53.84%0.04230%0.301CS..Hα-helixtrans-64-36.9179.1-66.50000113.5N29 L30 S32 P33 R77 Y79 P85N29-S35 WeakPolarHBondContact O-CB 3.4Å; N29-S35 PolarHBondContact O-OG 3.02Å; L30-S35 WeakPolarHBondContact O-CB 3.42Å; S32-S35 PolarHBondContact O-N 3.04Å; S32-S35 VanDerWaalsContact O-N 3.14Å; S32-S35 PolarHBondContact OG-N 2.78Å; S32-S35 PolarHBondContact OG-OG 3.13Å; S32-S35 VanDerWaalsContact OG-OG 3.12Å; P33-S35 PolarHBondContact O-N 2.98Å; S35-R77 PolarHBondContact O-NE 3.18Å; S35-R77 PolarHBondContact O-NH2 2.96Å; S35-Y79 WeakPolarHBondContact CB-OH 3.41Å; S35-Y79 WeakPolarHBondContact OG-CE1 3.39Å; S35-Y79 PolarHBondContact OG-OH 3.33Å; S35-P85 WeakPolarHBondContact OG-CG 3.46Å
36R94.2Very high93.9Very high182 Ų18257.1 Ų57.169%0.68731%0.312SS*.Hα-helixtrans-85.7-34.9-174.1-70-174.8174.3-179.32.7114.1A31 S32 P33 V34A31-R36 PolarHBondContact O-NE 2.57Å; S32-R36 PolarHBondContact O-N 2.84Å; S32-R36 VanDerWaalsContact O-N 3.12Å; P33-R36 PolarHBondContact O-N 2.87Å; V34-R36 VanDerWaalsContact C-N 3.34Å; V34-R36 PolarHBondContact O-N 2.78Å
37L92.7Very high93.7Very high102 Ų10259.4 Ų59.453%0.53432%0.324SS..Hα-helixtrans-99.8-36.5-169.6-60176.8000113P33 Y396P33-L37 HydrophobicContact CB-CD1 4.17Å; P33-L37 VanDerWaalsContact O-CB 3.25Å; P33-L37 WeakPolarHBondContact O-CB 3.23Å; P33-L37 WeakPolarHBondContact O-CG 3.32Å; P33-L37 PolarHBondContact O-N 3.25Å; L37-Y396 WeakPolarHBondContact O-CE1 3.1Å
38L96Very high93.3Very high6 Ų659.3 Ų59.33%0.03132%0.317CS..SBendtrans-79139.7-179-80.682.4000111.2V34 I75 R77 I87 Y396V34-L38 HydrophobicContact CB-CD1 4.49Å; V34-L38 HydrophobicContact CG1-CD1 4.16Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 PolarHBondContact O-N 2.7Å; L38-I75 HydrophobicContact CD2-CD1 4.11Å; L38-I75 HydrophobicContact CD2-CG1 3.79Å; L38-R77 HydrophobicContact CB-CB 4.05Å; L38-R77 HydrophobicContact CB-CG 3.8Å; L38-R77 HydrophobicContact CD2-CB 4.47Å; L38-R77 PolarHBondContact O-NE 2.7Å; L38-I87 HydrophobicContact CD2-CB 4.38Å; L38-I87 HydrophobicContact CD2-CD1 4.09Å; L38-I87 HydrophobicContact CD2-CG1 3.94Å; L38-I87 HydrophobicContact CD2-CG2 3.82Å; L38-Y396 HydrophobicContact CD1-CD1 4.04Å; L38-Y396 HydrophobicContact CD1-CG 4.27Å; L38-Y396 HydrophobicContact CG-CD1 3.82Å; L38-Y396 HydrophobicContact CG-CE1 4.42Å; L38-Y396 HydrophobicContact CG-CG 4.06Å
39P96.6Very high93.1Very high39 Ų3955.6 Ų55.625%0.25329%0.291SS..  trans-67.7166.1169.333.1-36.3000110.2Y72 I75 F76 R77P39-Y72 HydrophobicContact CB-CD1 4.31Å; P39-I75 WeakPolarHBondContact CG-O 3.43Å; P39-F76 CarbonylContact O-C 3.43Å; P39-F76 VanDerWaalsContact O-CA 3.24Å; P39-F76 WeakPolarHBondContact O-CA 3.4Å; P39-F76 WeakPolarHBondContact O-CB 3.24Å; P39-R77 VanDerWaalsContact O-CG 3.27Å; P39-R77 WeakPolarHBondContact O-CG 3.45Å; P39-R77 PolarHBondContact O-N 2.95Å
40G96Very high92.8Very high12 Ų1254.8 Ų54.812%0.12429%0.287CS..  trans146.8170.9175.800000113.3R77G40-R77 WeakPolarHBondContact CA-O 3.48Å
41P94.6Very high92.1Very high8 Ų852.2 Ų52.25%0.05227%0.274CS..PPolyproline II helixtrans-56.7146.3-178.625.8-38.4000111.8W68 Y72 R77P41-W68 HydrophobicContact CB-CZ2 4.12Å; P41-W68 HydrophobicContact CG-CD2 4.01Å; P41-W68 HydrophobicContact CG-CE3 4.31Å; P41-W68 HydrophobicContact CG-CH2 4.04Å; P41-W68 HydrophobicContact CG-CZ2 3.72Å; P41-W68 HydrophobicContact CG-CZ3 4.33Å; P41-Y72 HydrophobicContact CB-CE2 4.34Å; P41-Y72 VanDerWaalsContact CD-CE2 3.44Å; P41-Y72 HydrophobicContact CG-CE2 4.47Å; P41-R77 VanDerWaalsContact CD-O 3.28Å; P41-R77 WeakPolarHBondContact CD-O 3.31Å; P41-R77 PolarHBondContact O-NH1 3.16Å
42K93.2Very high91.3Very high178 Ų17856.7 Ų56.777%0.77429%0.285SS*.PPolyproline II helixtrans-71.5148.4166.7-68.7-177.5-178.5175.80109A44 N50K42-A44 PolarHBondContact O-N 3.34Å; K42-N50 PolarHBondContact O-ND2 3.48Å
43P92.4Very high90.7Very high31 Ų3157.5 Ų57.520%0.20129%0.285CS..PPolyproline II helixtrans-68.1128.7178.428-30000109.6S45 Y46 Y79P43-S45 PolarHBondContact O-N 3.29Å; P43-Y46 HydrophobicContact CG-CD1 4.45Å; P43-Y46 HydrophobicContact CG-CE1 4.42Å; P43-Y79 HydrophobicContact CB-CD2 3.68Å; P43-Y79 HydrophobicContact CB-CE2 4.38Å; P43-Y79 HydrophobicContact CB-CG 4.16Å; P43-Y79 HydrophobicContact CG-CD2 3.88Å; P43-Y79 HydrophobicContact CG-CE2 4.07Å
44A88.7Confident89.8Confident66 Ų6655.3 Ų55.355%0.54527%0.271SS..SBendtrans-65.2-22.9172.600000112.4K42 G49 E53K42-A44 PolarHBondContact O-N 3.34Å; A44-G49 PolarHBondContact N-O 3.31Å; A44-G49 VanDerWaalsContact N-O 3.08Å; A44-E53 WeakPolarHBondContact CB-OE1 3.32Å
45S91.1Very high88.4Confident42 Ų4256.9 Ų56.929%0.29428%0.282SS..BIsolated β-bridgetrans-147139.6173.71740000110.3P43 L47 F48 G49P43-S45 PolarHBondContact O-N 3.29Å; S45-L47 PolarHBondContact O-N 3.45Å; S45-L47 PolarHBondContact OG-N 2.98Å; S45-F48 PolarHBondContact OG-N 3.29Å; S45-G49 PolarHBondContact N-O 3.22Å; S45-G49 WeakPolarHBondContact O-CA 3.5Å; S45-G49 PolarHBondContact O-N 2.7Å
46Y92.5Very high86.6Confident152 Ų15261.9 Ų61.960%0.59631%0.312SS*.THydrogen-bonded Turntrans-65.3-27.9172.7-67.5-66000113.2I26 L30 P43 F82 C83I26-Y46 HydrophobicContact CG2-CD1 4.25Å; L30-Y46 HydrophobicContact CD1-CD1 3.99Å; L30-Y46 HydrophobicContact CD1-CE1 3.87Å; P43-Y46 HydrophobicContact CG-CD1 4.45Å; P43-Y46 HydrophobicContact CG-CE1 4.42Å; Y46-F82 CarbonylContact O-C 3.54Å; Y46-F82 WeakPolarHBondContact O-CA 3.37Å; Y46-C83 VanDerWaalsContact CA-SG 3.59Å; Y46-C83 PolarHBondContact O-N 2.95Å; Y46-C83 PolarHBondContact O-SG 3.33Å
47L89.8Confident84.8Confident70 Ų7059.1 Ų59.137%0.36630%0.302SS..THydrogen-bonded Turntrans-83-39.2179.7-170.464.7000111.9V22 S45 L81 F82V22-L47 HydrophobicContact CG1-CD1 4.18Å; S45-L47 PolarHBondContact O-N 3.45Å; S45-L47 PolarHBondContact OG-N 2.98Å; L47-L81 CarbonylContact O-C 3.59Å; L47-L81 WeakPolarHBondContact O-CA 3.32Å; L47-F82 HydrophobicContact CD1-CD1 3.65Å; L47-F82 HydrophobicContact CD1-CE1 3.42Å; L47-F82 VanDerWaalsContact CD1-CE1 3.42Å; L47-F82 PolarHBondContact O-N 3.05Å
48F86.8Confident82.8Confident78 Ų7855.4 Ų55.434%0.34229%0.288SS..THydrogen-bonded Turntrans-108.6-0.8-173.5-58.4-68.4000114.6S45 N50 V51 L81 I232S45-F48 PolarHBondContact OG-N 3.29Å; F48-N50 PolarHBondContact O-N 3.5Å; F48-V51 WeakPolarHBondContact O-CB 3.45Å; F48-V51 WeakPolarHBondContact O-CG2 3.47Å; F48-V51 PolarHBondContact O-N 2.88Å; F48-L81 HydrophobicContact CD1-CD2 3.65Å; F48-L81 HydrophobicContact CE1-CD2 4.34Å; F48-I232 HydrophobicContact CD1-CG2 3.53Å; F48-I232 HydrophobicContact CE1-CG2 3.49Å; F48-I232 VanDerWaalsContact CE1-CG2 3.49Å
49G90.7Very high80.7Confident0 Ų055.7 Ų55.70%029%0.29CS..BIsolated β-bridgetrans57.5-125.8-176.600000112A44 S45 L80A44-G49 PolarHBondContact N-O 3.31Å; A44-G49 VanDerWaalsContact N-O 3.08Å; S45-G49 PolarHBondContact N-O 3.22Å; S45-G49 WeakPolarHBondContact O-CA 3.5Å; S45-G49 PolarHBondContact O-N 2.7Å; G49-L80 VanDerWaalsContact CA-O 3.32Å; G49-L80 WeakPolarHBondContact CA-O 3.36Å; G49-L80 PolarHBondContact N-O 2.96Å
50N89.1Confident78.8Confident0 Ų055.4 Ų55.40%029%0.286CS..THydrogen-bonded Turntrans-10318.1175.9-59.6107000112.9K42 F48 K52 E53 F54 W68 Y79K42-N50 PolarHBondContact O-ND2 3.48Å; F48-N50 PolarHBondContact O-N 3.5Å; N50-K52 PolarHBondContact O-N 3.3Å; N50-E53 WeakPolarHBondContact CA-OE2 3.18Å; N50-E53 PolarHBondContact ND2-OE1 3.33Å; N50-E53 PolarHBondContact O-N 2.94Å; N50-F54 WeakPolarHBondContact O-CD2 3.31Å; N50-W68 HydrophobicContact CB-CH2 4.13Å; N50-Y79 PolarHBondContact N-O 2.99Å; N50-Y79 PolarHBondContact OD1-N 3.17Å
51V81.8Confident77.3Confident0 Ų055.2 Ų55.20%028%0.284CS..Hα-helixtrans-64.1-27.4-177.2173.10000112.2F48 E53 F54 S55 L80 I232 F235F48-V51 WeakPolarHBondContact O-CB 3.45Å; F48-V51 WeakPolarHBondContact O-CG2 3.47Å; F48-V51 PolarHBondContact O-N 2.88Å; V51-E53 VanDerWaalsContact C-N 3.33Å; V51-E53 PolarHBondContact O-N 2.87Å; V51-F54 PolarHBondContact O-N 3.48Å; V51-S55 PolarHBondContact O-N 3.15Å; V51-S55 PolarHBondContact O-OG 3.49Å; V51-L80 HydrophobicContact CG2-CD2 3.97Å; V51-I232 HydrophobicContact CG1-CG1 4.04Å; V51-F235 HydrophobicContact CB-CE2 4.43Å; V51-F235 HydrophobicContact CG1-CD2 4.03Å; V51-F235 HydrophobicContact CG1-CE2 3.53Å; V51-F235 HydrophobicContact CG1-CZ 4.34Å; V51-F235 HydrophobicContact CG2-CD2 4.21Å; V51-F235 HydrophobicContact CG2-CE2 3.95Å; V51-F235 HydrophobicContact CG2-CZ 4.21Å
52K78Confident76.6Confident138 Ų13854.9 Ų54.960%0.628%0.281SS*.Hα-helixtrans-67.9-34.7-179.2-170.1-180178.1-174.40111.7N50 F54 S55 V56N50-K52 PolarHBondContact O-N 3.3Å; K52-F54 VanDerWaalsContact C-N 3.33Å; K52-F54 PolarHBondContact O-N 3.44Å; K52-S55 CarbonylContact O-C 3.6Å; K52-S55 WeakPolarHBondContact O-CA 3.26Å; K52-S55 WeakPolarHBondContact O-CB 3.28Å; K52-S55 PolarHBondContact O-N 3.39Å; K52-V56 HydrophobicContact CG-CG2 4.1Å; K52-V56 WeakPolarHBondContact O-CG2 3.44Å; K52-V56 PolarHBondContact O-N 3.21Å
53E80.2Confident76Confident45 Ų4548.6 Ų48.621%0.2126%0.256CS..Hα-helixtrans-64.2-40-179-66.886.6137.700110.6A44 N50 V51 S55 R57 L64 W68A44-E53 WeakPolarHBondContact CB-OE1 3.32Å; N50-E53 WeakPolarHBondContact CA-OE2 3.18Å; N50-E53 PolarHBondContact ND2-OE1 3.33Å; N50-E53 PolarHBondContact O-N 2.94Å; V51-E53 VanDerWaalsContact C-N 3.33Å; V51-E53 PolarHBondContact O-N 2.87Å; E53-S55 VanDerWaalsContact C-N 3.26Å; E53-S55 PolarHBondContact O-N 3.19Å; E53-R57 PolarHBondContact O-N 2.85Å; E53-L64 HydrophobicContact CB-CD2 4.03Å; E53-W68 HydrophobicContact CB-CZ2 4.42Å
54F74Confident75.7Confident2 Ų247.3 Ų47.31%0.00925%0.247CC..Hα-helixtrans-66.4-28.9170.5-54.2-57.3000112.8N50 V51 K52 T59 L60 L64 F65 W68 Y78N50-F54 WeakPolarHBondContact O-CD2 3.31Å; V51-F54 PolarHBondContact O-N 3.48Å; K52-F54 VanDerWaalsContact C-N 3.33Å; K52-F54 PolarHBondContact O-N 3.44Å; F54-T59 CarbonylContact O-C 3.55Å; F54-T59 PolarHBondContact O-N 3.4Å; F54-T59 VanDerWaalsContact O-N 3.09Å; F54-T59 VanDerWaalsContact O-O 3.07Å; F54-L60 HydrophobicContact CD1-CD2 3.84Å; F54-L60 HydrophobicContact CD1-CG 4.17Å; F54-L60 HydrophobicContact CE1-CD2 3.71Å; F54-L60 HydrophobicContact CG-CD2 4.32Å; F54-L60 HydrophobicContact CG-CG 4.42Å; F54-L60 HydrophobicContact CZ-CD2 4.1Å; F54-L64 HydrophobicContact CD1-CD2 3.73Å; F54-L64 HydrophobicContact CE1-CD2 3.77Å; F54-F65 HydrophobicContact CE1-CE1 4.21Å; F54-F65 HydrophobicContact CE1-CE2 4.03Å; F54-F65 AromaticContact CE1-CZ 3.64Å; F54-F65 HydrophobicContact CE1-CZ 3.64Å; F54-F65 HydrophobicContact CZ-CE1 4.3Å; F54-F65 AromaticContact CZ-CZ 3.88Å; F54-F65 HydrophobicContact CZ-CZ 3.88Å; F54-W68 HydrophobicContact CE1-CH2 4.25Å; F54-W68 HydrophobicContact CE1-CZ3 4.09Å; F54-W68 HydrophobicContact CZ-CH2 4.06Å; F54-W68 AromaticContact CZ-CZ3 3.93Å; F54-W68 HydrophobicContact CZ-CZ3 3.93Å; F54-Y78 AromaticContact CE2-CD2 3.92Å; F54-Y78 HydrophobicContact CE2-CD2 3.92Å; F54-Y78 AromaticContact CE2-CE2 3.8Å; F54-Y78 HydrophobicContact CE2-CE2 3.8Å; F54-Y78 AromaticContact CZ-CD2 3.81Å; F54-Y78 HydrophobicContact CZ-CD2 3.81Å; F54-Y78 AromaticContact CZ-CE2 3.79Å; F54-Y78 HydrophobicContact CZ-CE2 3.79Å; F54-Y78 HydrophobicContact CZ-CG 4.49Å
55S62.7Low75.8Confident37 Ų3744.2 Ų44.226%0.25922%0.222SC..Hα-helixtrans-81.3-40.8-175.8-55.80000111.9V51 K52 E53 G58V51-S55 PolarHBondContact O-N 3.15Å; V51-S55 PolarHBondContact O-OG 3.49Å; K52-S55 CarbonylContact O-C 3.6Å; K52-S55 WeakPolarHBondContact O-CA 3.26Å; K52-S55 WeakPolarHBondContact O-CB 3.28Å; K52-S55 PolarHBondContact O-N 3.39Å; E53-S55 VanDerWaalsContact C-N 3.26Å; E53-S55 PolarHBondContact O-N 3.19Å; S55-G58 PolarHBondContact O-N 3.45Å
56V57.2Low75.8Confident112 Ų11243 Ų4368%0.67921%0.212SC*.Hα-helixtrans-68.8-36.8-179.9173.30000111.5K52 G58K52-V56 HydrophobicContact CG-CG2 4.1Å; K52-V56 WeakPolarHBondContact O-CG2 3.44Å; K52-V56 PolarHBondContact O-N 3.21Å; V56-G58 VanDerWaalsContact C-N 3.26Å; V56-G58 PolarHBondContact O-N 3.25Å
57R57.2Low75.7Confident123 Ų12339.8 Ų39.846%0.46420%0.202SC..THydrogen-bonded Turntrans-85.51.6178.2-63.6-171.8175.7-156.57.1113.8E53 T59 E67E53-R57 PolarHBondContact O-N 2.85Å; R57-T59 VanDerWaalsContact C-N 3.34Å; R57-T59 PolarHBondContact O-N 3.37Å; R57-E67 IonicContact CZ-OE1 3.84Å; R57-E67 IonicContact CZ-OE2 2.8Å; R57-E67 IonicContact NH1-OE1 3Å; R57-E67 PolarHBondContact NH1-OE1 3.06Å; R57-E67 IonicContact NH1-OE2 3.55Å; R57-E67 PolarHBondContact NH1-OE2 3.33Å; R57-E67 IonicContact NH2-OE1 2.76Å; R57-E67 IonicContact NH2-OE2 3.75Å; R57-E67 PolarHBondContact NH2-OE2 3Å
58G49.6Very low75.9Confident25 Ų2537.1 Ų37.126%0.25819%0.187SC..THydrogen-bonded Turntrans76.811171.800000115.4S55 V56S55-G58 PolarHBondContact O-N 3.45Å; V56-G58 VanDerWaalsContact C-N 3.26Å; V56-G58 PolarHBondContact O-N 3.25Å
59T51.5Low76.3Confident12 Ų1233.7 Ų33.77%0.07417%0.173CC..SBendtrans-177.3169.8169.229.10000112.5F54 R57 S61 R484F54-T59 CarbonylContact O-C 3.55Å; F54-T59 PolarHBondContact O-N 3.4Å; F54-T59 VanDerWaalsContact O-N 3.09Å; F54-T59 VanDerWaalsContact O-O 3.07Å; R57-T59 VanDerWaalsContact C-N 3.34Å; R57-T59 PolarHBondContact O-N 3.37Å; T59-S61 PolarHBondContact O-N 2.93Å; T59-R484 HydrophobicContact CG2-CB 4.22Å; T59-R484 VanDerWaalsContact CG2-CD 3.49Å; T59-R484 HydrophobicContact CG2-CG 3.44Å; T59-R484 VanDerWaalsContact CG2-CG 3.44Å
60L57.7Low76.4Confident32 Ų3239.7 Ų39.717%0.16820%0.201CC..  trans-59.870.3147.3-82.4147.3000107.7F54 L62 F65 F229F54-L60 HydrophobicContact CD1-CD2 3.84Å; F54-L60 HydrophobicContact CD1-CG 4.17Å; F54-L60 HydrophobicContact CE1-CD2 3.71Å; F54-L60 HydrophobicContact CG-CD2 4.32Å; F54-L60 HydrophobicContact CG-CG 4.42Å; F54-L60 HydrophobicContact CZ-CD2 4.1Å; L60-L62 PolarHBondContact O-N 3.15Å; L60-F65 HydrophobicContact CD2-CE2 3.52Å; L60-F65 HydrophobicContact CD2-CZ 3.69Å; L60-F229 HydrophobicContact CD1-CE2 4.46Å; L60-F229 HydrophobicContact CD1-CZ 4.17Å
61S65Low76.7Confident9 Ų945.7 Ų45.76%0.06323%0.229CC..  trans-69.2124.3176-177.20000106.5T59 D63 L64T59-S61 PolarHBondContact O-N 2.93Å; S61-D63 PolarHBondContact O-N 3.44Å; S61-D63 VanDerWaalsContact OG-CB 3.25Å; S61-D63 WeakPolarHBondContact OG-CB 3.37Å; S61-D63 PolarHBondContact OG-N 2.81Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; S61-D63 PolarHBondContact OG-OD2 3.07Å; S61-L64 WeakPolarHBondContact O-CB 3.29Å; S61-L64 PolarHBondContact O-N 3.27Å
62L78.5Confident77.4Confident0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-56-28.1169.7-67.9164.5000110.5L60 L64 F65 E66 P381 L407 V410 M485 Q489L60-L62 PolarHBondContact O-N 3.15Å; L62-L64 PolarHBondContact O-N 3.35Å; L62-F65 CarbonylContact O-C 3.56Å; L62-F65 WeakPolarHBondContact O-CA 3.49Å; L62-F65 PolarHBondContact O-N 2.97Å; L62-E66 WeakPolarHBondContact O-CG 3.4Å; L62-E66 PolarHBondContact O-N 3.02Å; L62-P381 HydrophobicContact CD1-CB 3.82Å; L62-P381 HydrophobicContact CD1-CG 3.85Å; L62-P381 HydrophobicContact CD2-CB 4.17Å; L62-P381 HydrophobicContact CD2-CG 4.16Å; L62-L407 HydrophobicContact CD2-CD2 4.01Å; L62-V410 HydrophobicContact CB-CG2 4.17Å; L62-V410 HydrophobicContact CD2-CG2 3.85Å; L62-M485 HydrophobicContact CD2-SD 3.92Å; L62-M485 HydrophobicContact CG-SD 4.36Å; L62-Q489 HydrophobicContact CD1-CG 3.89Å
63D81.5Confident78.2Confident46 Ų4643.5 Ų43.525%0.24623%0.227CC..Hα-helixtrans-58.3-35174.8-43.9-29000112S61 E66 E67 R377S61-D63 PolarHBondContact O-N 3.44Å; S61-D63 VanDerWaalsContact OG-CB 3.25Å; S61-D63 WeakPolarHBondContact OG-CB 3.37Å; S61-D63 PolarHBondContact OG-N 2.81Å; S61-D63 VanDerWaalsContact OG-N 3.14Å; S61-D63 PolarHBondContact OG-OD2 3.07Å; D63-E66 WeakPolarHBondContact O-CB 3.19Å; D63-E66 PolarHBondContact O-N 2.83Å; D63-E67 WeakPolarHBondContact O-CG 3.41Å; D63-E67 PolarHBondContact O-N 3.26Å; D63-R377 IonicContact OD1-NH1 3.62Å; D63-R377 IonicContact OD1-NH2 3.22Å
64L86.1Confident78.9Confident4 Ų442.4 Ų42.42%0.02123%0.228CC..Hα-helixtrans-69.5-37.8175.317862.7000111.7E53 F54 S61 L62 E66 W68E53-L64 HydrophobicContact CB-CD2 4.03Å; F54-L64 HydrophobicContact CD1-CD2 3.73Å; F54-L64 HydrophobicContact CE1-CD2 3.77Å; S61-L64 WeakPolarHBondContact O-CB 3.29Å; S61-L64 PolarHBondContact O-N 3.27Å; L62-L64 PolarHBondContact O-N 3.35Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-W68 HydrophobicContact CD1-CD2 4.27Å; L64-W68 HydrophobicContact CD1-CZ2 3.91Å; L64-W68 HydrophobicContact CD2-CH2 3.82Å; L64-W68 HydrophobicContact CD2-CZ2 3.91Å; L64-W68 HydrophobicContact CD2-CZ3 4.25Å; L64-W68 HydrophobicContact CG-CD2 4.17Å; L64-W68 HydrophobicContact CG-CE3 4.3Å; L64-W68 HydrophobicContact CG-CH2 4.16Å; L64-W68 HydrophobicContact CG-CZ2 3.99Å; L64-W68 HydrophobicContact CG-CZ3 4.31Å; L64-W68 PolarHBondContact O-N 2.8Å
65F90.7Very high80Confident1 Ų142.9 Ų42.90%0.00423%0.23CC..Hα-helixtrans-73.9-28.3175.5-70.1-67.1000112.3F54 L60 L62 W68 A69 F76 Y78 V88 L405 L407 V410F54-F65 HydrophobicContact CE1-CE1 4.21Å; F54-F65 HydrophobicContact CE1-CE2 4.03Å; F54-F65 AromaticContact CE1-CZ 3.64Å; F54-F65 HydrophobicContact CE1-CZ 3.64Å; F54-F65 HydrophobicContact CZ-CE1 4.3Å; F54-F65 AromaticContact CZ-CZ 3.88Å; F54-F65 HydrophobicContact CZ-CZ 3.88Å; L60-F65 HydrophobicContact CD2-CE2 3.52Å; L60-F65 HydrophobicContact CD2-CZ 3.69Å; L62-F65 CarbonylContact O-C 3.56Å; L62-F65 WeakPolarHBondContact O-CA 3.49Å; L62-F65 PolarHBondContact O-N 2.97Å; F65-W68 AromaticContact CD1-CE3 3.87Å; F65-W68 HydrophobicContact CD1-CE3 3.87Å; F65-W68 HydrophobicContact CD1-CZ3 4.23Å; F65-W68 HydrophobicContact CE1-CE3 4.08Å; F65-W68 AromaticContact CE1-CZ3 3.98Å; F65-W68 HydrophobicContact CE1-CZ3 3.98Å; F65-A69 WeakPolarHBondContact O-CB 3.42Å; F65-A69 PolarHBondContact O-N 3.46Å; F65-F76 HydrophobicContact CD1-CE2 4.1Å; F65-F76 HydrophobicContact CD1-CZ 4.02Å; F65-Y78 HydrophobicContact CE1-CD1 4.22Å; F65-Y78 HydrophobicContact CE1-CE1 4.14Å; F65-Y78 HydrophobicContact CZ-CE1 4.47Å; F65-V88 HydrophobicContact CD1-CG1 4.39Å; F65-V88 HydrophobicContact CD1-CG2 4.3Å; F65-V88 HydrophobicContact CE1-CG2 3.96Å; F65-L405 HydrophobicContact CE1-CD2 4.44Å; F65-L405 HydrophobicContact CZ-CD2 4.07Å; F65-L407 HydrophobicContact CB-CD1 3.5Å; F65-L407 VanDerWaalsContact CB-CD1 3.5Å; F65-L407 HydrophobicContact CD1-CD1 3.65Å; F65-L407 HydrophobicContact CD2-CD1 3.74Å; F65-L407 HydrophobicContact CE1-CD1 4.25Å; F65-L407 HydrophobicContact CE2-CD1 4.31Å; F65-L407 HydrophobicContact CG-CD1 3.36Å; F65-V410 HydrophobicContact CB-CG2 3.96Å
66E90.3Very high81.7Confident18 Ų1841.1 Ų41.18%0.08422%0.218CC..Hα-helixtrans-60.9-52.9168.9-75.3162.3-143.800109.5L62 D63 L64 W68 A69 E70 V410 R413L62-E66 WeakPolarHBondContact O-CG 3.4Å; L62-E66 PolarHBondContact O-N 3.02Å; D63-E66 WeakPolarHBondContact O-CB 3.19Å; D63-E66 PolarHBondContact O-N 2.83Å; L64-E66 VanDerWaalsContact C-N 3.34Å; E66-W68 VanDerWaalsContact C-N 3.35Å; E66-W68 PolarHBondContact O-N 3.02Å; E66-A69 PolarHBondContact O-N 3.31Å; E66-A69 VanDerWaalsContact O-N 3.1Å; E66-E70 WeakPolarHBondContact O-CG 3.39Å; E66-E70 PolarHBondContact O-N 3.32Å; E66-V410 HydrophobicContact CB-CG1 4.35Å; E66-V410 HydrophobicContact CG-CB 4.25Å; E66-V410 HydrophobicContact CG-CG1 3.68Å; E66-V410 HydrophobicContact CG-CG2 4.1Å; E66-R413 WeakPolarHBondContact OE1-CD 3.21Å; E66-R413 IonicContact OE1-CZ 2.7Å; E66-R413 IonicContact OE1-NE 3.25Å; E66-R413 PolarHBondContact OE1-NE 3.44Å; E66-R413 IonicContact OE1-NH2 3.31Å; E66-R413 IonicContact OE2-CZ 3.29Å; E66-R413 IonicContact OE2-NE 2.7Å; E66-R413 PolarHBondContact OE2-NE 3Å; E66-R413 VanDerWaalsContact OE2-NE 3.08Å; E66-R413 IonicContact OE2-NH2 3.43Å; E66-R413 PolarHBondContact OE2-NH2 3.22Å
67E91.2Very high83.5Confident83 Ų8337.2 Ų37.239%0.38819%0.191SC..Hα-helixtrans-57.2-45.3176.5-72.7170.5-150.600112.4R57 D63 A69 E70 E71R57-E67 IonicContact CZ-OE1 3.84Å; R57-E67 IonicContact CZ-OE2 2.8Å; R57-E67 IonicContact NH1-OE1 3Å; R57-E67 PolarHBondContact NH1-OE1 3.06Å; R57-E67 IonicContact NH1-OE2 3.55Å; R57-E67 PolarHBondContact NH1-OE2 3.33Å; R57-E67 IonicContact NH2-OE1 2.76Å; R57-E67 IonicContact NH2-OE2 3.75Å; R57-E67 PolarHBondContact NH2-OE2 3Å; D63-E67 WeakPolarHBondContact O-CG 3.41Å; D63-E67 PolarHBondContact O-N 3.26Å; E67-A69 PolarHBondContact O-N 2.86Å; E67-E70 PolarHBondContact O-N 3Å; E67-E71 WeakPolarHBondContact O-CB 3.45Å; E67-E71 PolarHBondContact O-N 3.5Å
68W94.1Very high85.2Confident15 Ų1532.1 Ų32.16%0.05717%0.172CC..Hα-helixtrans-68.3-32.7177-72-15000113.4P41 N50 E53 F54 L64 F65 E66 E71 Y72 F76 Y78P41-W68 HydrophobicContact CB-CZ2 4.12Å; P41-W68 HydrophobicContact CG-CD2 4.01Å; P41-W68 HydrophobicContact CG-CE3 4.31Å; P41-W68 HydrophobicContact CG-CH2 4.04Å; P41-W68 HydrophobicContact CG-CZ2 3.72Å; P41-W68 HydrophobicContact CG-CZ3 4.33Å; N50-W68 HydrophobicContact CB-CH2 4.13Å; E53-W68 HydrophobicContact CB-CZ2 4.42Å; F54-W68 HydrophobicContact CE1-CH2 4.25Å; F54-W68 HydrophobicContact CE1-CZ3 4.09Å; F54-W68 HydrophobicContact CZ-CH2 4.06Å; F54-W68 AromaticContact CZ-CZ3 3.93Å; F54-W68 HydrophobicContact CZ-CZ3 3.93Å; L64-W68 HydrophobicContact CD1-CD2 4.27Å; L64-W68 HydrophobicContact CD1-CZ2 3.91Å; L64-W68 HydrophobicContact CD2-CH2 3.82Å; L64-W68 HydrophobicContact CD2-CZ2 3.91Å; L64-W68 HydrophobicContact CD2-CZ3 4.25Å; L64-W68 HydrophobicContact CG-CD2 4.17Å; L64-W68 HydrophobicContact CG-CE3 4.3Å; L64-W68 HydrophobicContact CG-CH2 4.16Å; L64-W68 HydrophobicContact CG-CZ2 3.99Å; L64-W68 HydrophobicContact CG-CZ3 4.31Å; L64-W68 PolarHBondContact O-N 2.8Å; F65-W68 AromaticContact CD1-CE3 3.87Å; F65-W68 HydrophobicContact CD1-CE3 3.87Å; F65-W68 HydrophobicContact CD1-CZ3 4.23Å; F65-W68 HydrophobicContact CE1-CE3 4.08Å; F65-W68 AromaticContact CE1-CZ3 3.98Å; F65-W68 HydrophobicContact CE1-CZ3 3.98Å; E66-W68 VanDerWaalsContact C-N 3.35Å; E66-W68 PolarHBondContact O-N 3.02Å; W68-E71 PolarHBondContact O-N 3.19Å; W68-Y72 HydrophobicContact CB-CD2 4.03Å; W68-Y72 HydrophobicContact CB-CE2 4.4Å; W68-Y72 AromaticContact CD1-CE2 3.81Å; W68-Y72 HydrophobicContact CG-CD2 4.3Å; W68-Y72 HydrophobicContact CG-CE2 4.2Å; W68-Y72 WeakPolarHBondContact O-CB 3.34Å; W68-Y72 VanDerWaalsContact O-CD2 3.3Å; W68-Y72 WeakPolarHBondContact O-CD2 3.46Å; W68-Y72 PolarHBondContact O-N 2.89Å; W68-F76 HydrophobicContact CB-CD2 4.25Å; W68-F76 HydrophobicContact CB-CE1 4.41Å; W68-F76 HydrophobicContact CB-CE2 3.72Å; W68-F76 HydrophobicContact CB-CZ 3.79Å; W68-F76 HydrophobicContact CD2-CE2 4.46Å; W68-F76 AromaticContact CE3-CE2 3.88Å; W68-F76 HydrophobicContact CE3-CE2 3.88Å; W68-F76 HydrophobicContact CG-CE2 4.47Å; W68-Y78 HydrophobicContact CZ3-CG 4.21Å
69A95.2Very high87.2Confident5 Ų531.2 Ų31.24%0.04116%0.16CC..Hα-helixtrans-69.1-36.4174.600000111.6F65 E66 E67 G73 F76 T90 V410 L414F65-A69 WeakPolarHBondContact O-CB 3.42Å; F65-A69 PolarHBondContact O-N 3.46Å; E66-A69 PolarHBondContact O-N 3.31Å; E66-A69 VanDerWaalsContact O-N 3.1Å; E67-A69 PolarHBondContact O-N 2.86Å; A69-G73 CarbonylContact O-C 3.44Å; A69-G73 WeakPolarHBondContact O-CA 3.27Å; A69-G73 PolarHBondContact O-N 2.93Å; A69-F76 HydrophobicContact CB-CE1 3.97Å; A69-T90 HydrophobicContact CB-CG2 4.16Å; A69-V410 HydrophobicContact CB-CG1 4.13Å; A69-L414 HydrophobicContact CB-CD1 4.07Å; A69-L414 HydrophobicContact CB-CD2 3.95Å
70E93.6Very high88.9Confident127 Ų12731.1 Ų31.159%0.59316%0.16SC*.Hα-helixtrans-68.3-39.5173.4-70.7-179.7-178.700111.9E66 E67 L414E66-E70 WeakPolarHBondContact O-CG 3.39Å; E66-E70 PolarHBondContact O-N 3.32Å; E67-E70 PolarHBondContact O-N 3Å; E70-L414 HydrophobicContact CG-CD2 4.14Å
71E95.4Very high90.3Very high125 Ų12530.3 Ų30.358%0.58416%0.155SC*.Hα-helixtrans-77.2-42.7-178.2-171-177.6160.500113.2E67 W68E67-E71 WeakPolarHBondContact O-CB 3.45Å; E67-E71 PolarHBondContact O-N 3.5Å; W68-E71 PolarHBondContact O-N 3.19Å
72Y96Very high91.5Very high62 Ų6231.9 Ų31.924%0.24316%0.161CC..Hα-helixtrans-109.2-5.6-171-57.7-65.9000114.1P39 P41 W68 F76P39-Y72 HydrophobicContact CB-CD1 4.31Å; P41-Y72 HydrophobicContact CB-CE2 4.34Å; P41-Y72 VanDerWaalsContact CD-CE2 3.44Å; P41-Y72 HydrophobicContact CG-CE2 4.47Å; W68-Y72 HydrophobicContact CB-CD2 4.03Å; W68-Y72 HydrophobicContact CB-CE2 4.4Å; W68-Y72 AromaticContact CD1-CE2 3.81Å; W68-Y72 HydrophobicContact CG-CD2 4.3Å; W68-Y72 HydrophobicContact CG-CE2 4.2Å; W68-Y72 WeakPolarHBondContact O-CB 3.34Å; W68-Y72 VanDerWaalsContact O-CD2 3.3Å; W68-Y72 WeakPolarHBondContact O-CD2 3.46Å; W68-Y72 PolarHBondContact O-N 2.89Å; Y72-F76 HydrophobicContact CG-CB 4.48Å
73G94.8Very high92.2Very high31 Ų3131.9 Ų31.932%0.3216%0.161SC..  trans89.2-170.2-179.400000114.2A69 I75 F76A69-G73 CarbonylContact O-C 3.44Å; A69-G73 WeakPolarHBondContact O-CA 3.27Å; A69-G73 PolarHBondContact O-N 2.93Å; G73-I75 PolarHBondContact O-N 3.12Å; G73-F76 WeakPolarHBondContact O-CD1 3.25Å
74G95.1Very high92.7Very high22 Ų2232.9 Ų32.923%0.22716%0.164CC..SBendtrans-72-6.4-170.800000116.2T90 D91G74-T90 WeakPolarHBondContact CA-OG1 3.41Å; G74-T90 PolarHBondContact O-N 2.89Å; G74-T90 PolarHBondContact O-OG1 3.5Å; G74-D91 PolarHBondContact O-N 2.81Å
75I97.3Very high93Very high12 Ų1233.6 Ų33.66%0.06217%0.169CC..EExtended strand (participates in β ladder)trans-144.2125.9173.8-178.7167.9000109.5L38 P39 G73 I87 V88 V89 I94 L393 Y396L38-I75 HydrophobicContact CD2-CD1 4.11Å; L38-I75 HydrophobicContact CD2-CG1 3.79Å; P39-I75 WeakPolarHBondContact CG-O 3.43Å; G73-I75 PolarHBondContact O-N 3.12Å; I75-I87 HydrophobicContact CD1-CG2 4.17Å; I75-I87 HydrophobicContact CG1-CG2 4.09Å; I75-V88 WeakPolarHBondContact CA-O 3.34Å; I75-V89 HydrophobicContact CD1-CG2 4.26Å; I75-V89 HydrophobicContact CG1-CG2 4.27Å; I75-I94 HydrophobicContact CB-CD1 4.04Å; I75-I94 HydrophobicContact CD1-CD1 4.24Å; I75-I94 HydrophobicContact CG2-CD1 3.97Å; I75-L393 HydrophobicContact CD1-CB 3.66Å; I75-L393 HydrophobicContact CD1-CD1 4.18Å; I75-Y396 HydrophobicContact CD1-CD2 4.04Å; I75-Y396 HydrophobicContact CD1-CG 4.45Å; I75-Y396 HydrophobicContact CG1-CD2 4.47Å; I75-Y396 HydrophobicContact CG2-CD2 3.5Å; I75-Y396 HydrophobicContact CG2-CE2 3.29Å
76F96.7Very high93Very high0 Ų034 Ų340%017%0.171CC..EExtended strand (participates in β ladder)trans-152.4169.6-178.359.9-89.4000110.9P39 F65 W68 A69 Y72 G73 V88P39-F76 CarbonylContact O-C 3.43Å; P39-F76 VanDerWaalsContact O-CA 3.24Å; P39-F76 WeakPolarHBondContact O-CA 3.4Å; P39-F76 WeakPolarHBondContact O-CB 3.24Å; F65-F76 HydrophobicContact CD1-CE2 4.1Å; F65-F76 HydrophobicContact CD1-CZ 4.02Å; W68-F76 HydrophobicContact CB-CD2 4.25Å; W68-F76 HydrophobicContact CB-CE1 4.41Å; W68-F76 HydrophobicContact CB-CE2 3.72Å; W68-F76 HydrophobicContact CB-CZ 3.79Å; W68-F76 HydrophobicContact CD2-CE2 4.46Å; W68-F76 AromaticContact CE3-CE2 3.88Å; W68-F76 HydrophobicContact CE3-CE2 3.88Å; W68-F76 HydrophobicContact CG-CE2 4.47Å; A69-F76 HydrophobicContact CB-CE1 3.97Å; Y72-F76 HydrophobicContact CG-CB 4.48Å; G73-F76 WeakPolarHBondContact O-CD1 3.25Å; F76-V88 HydrophobicContact CD1-CB 4.34Å; F76-V88 HydrophobicContact CD1-CG1 4.45Å; F76-V88 HydrophobicContact CD2-CB 3.96Å; F76-V88 HydrophobicContact CD2-CG2 4.3Å; F76-V88 HydrophobicContact CE1-CB 4Å; F76-V88 HydrophobicContact CE1-CG1 3.68Å; F76-V88 HydrophobicContact CE2-CB 3.57Å; F76-V88 HydrophobicContact CE2-CG1 3.82Å; F76-V88 HydrophobicContact CE2-CG2 3.77Å; F76-V88 HydrophobicContact CG-CB 4.34Å; F76-V88 HydrophobicContact CZ-CB 3.62Å; F76-V88 HydrophobicContact CZ-CG1 3.33Å; F76-V88 HydrophobicContact CZ-CG2 4.17Å; F76-V88 PolarHBondContact N-O 2.97Å; F76-V88 PolarHBondContact O-N 3.46Å
77R95.4Very high93.3Very high29 Ų2933.1 Ų33.111%0.10917%0.167CC..EExtended strand (participates in β ladder)trans-117.6147.7176.859.7147.7-174.272.1-2.7112.6V34 S35 L38 P39 G40 P41 Y79 Q86V34-R77 HydrophobicContact CG1-CB 4.41Å; V34-R77 WeakPolarHBondContact O-CD 3.32Å; S35-R77 PolarHBondContact O-NE 3.18Å; S35-R77 PolarHBondContact O-NH2 2.96Å; L38-R77 HydrophobicContact CB-CB 4.05Å; L38-R77 HydrophobicContact CB-CG 3.8Å; L38-R77 HydrophobicContact CD2-CB 4.47Å; L38-R77 PolarHBondContact O-NE 2.7Å; P39-R77 VanDerWaalsContact O-CG 3.27Å; P39-R77 WeakPolarHBondContact O-CG 3.45Å; P39-R77 PolarHBondContact O-N 2.95Å; G40-R77 WeakPolarHBondContact CA-O 3.48Å; P41-R77 VanDerWaalsContact CD-O 3.28Å; P41-R77 WeakPolarHBondContact CD-O 3.31Å; P41-R77 PolarHBondContact O-NH1 3.16Å; R77-Y79 VanDerWaalsContact CZ-CE2 3.46Å; R77-Y79 VanDerWaalsContact CZ-CZ 3.48Å; R77-Y79 PolarHBondContact NE-OH 3.05Å; R77-Y79 PolarHBondContact NH1-OH 3.11Å; R77-Y79 PolarHBondContact NH2-OH 3.13Å; R77-Q86 WeakPolarHBondContact CA-O 3.45Å; R77-Q86 WeakPolarHBondContact CB-O 3.27Å
78Y93.2Very high93.5Very high17 Ų1729.1 Ų29.17%0.06715%0.148CC..EExtended strand (participates in β ladder)trans-130.5167.8163.973.9-79.9000109.7F54 F65 W68 L80 Q86 V88F54-Y78 AromaticContact CE2-CD2 3.92Å; F54-Y78 HydrophobicContact CE2-CD2 3.92Å; F54-Y78 AromaticContact CE2-CE2 3.8Å; F54-Y78 HydrophobicContact CE2-CE2 3.8Å; F54-Y78 AromaticContact CZ-CD2 3.81Å; F54-Y78 HydrophobicContact CZ-CD2 3.81Å; F54-Y78 AromaticContact CZ-CE2 3.79Å; F54-Y78 HydrophobicContact CZ-CE2 3.79Å; F54-Y78 HydrophobicContact CZ-CG 4.49Å; F65-Y78 HydrophobicContact CE1-CD1 4.22Å; F65-Y78 HydrophobicContact CE1-CE1 4.14Å; F65-Y78 HydrophobicContact CZ-CE1 4.47Å; W68-Y78 HydrophobicContact CZ3-CG 4.21Å; Y78-L80 HydrophobicContact CD2-CD2 4.49Å; Y78-L80 HydrophobicContact CE2-CD2 3.68Å; Y78-L80 HydrophobicContact CE2-CG 3.93Å; Y78-Q86 HydrophobicContact CD1-CB 3.97Å; Y78-Q86 HydrophobicContact CE1-CB 3.46Å; Y78-Q86 VanDerWaalsContact CE1-CB 3.46Å; Y78-Q86 HydrophobicContact CE1-CG 4.22Å; Y78-Q86 HydrophobicContact CE2-CB 4.27Å; Y78-Q86 HydrophobicContact CE2-CG 4.22Å; Y78-Q86 PolarHBondContact N-O 3.27Å; Y78-Q86 VanDerWaalsContact N-O 3.07Å; Y78-Q86 PolarHBondContact O-N 2.66Å; Y78-V88 HydrophobicContact CD1-CG2 3.49Å; Y78-V88 VanDerWaalsContact CD1-CG2 3.49Å; Y78-V88 HydrophobicContact CE1-CG2 3.49Å; Y78-V88 VanDerWaalsContact CE1-CG2 3.49Å
79Y92Very high93.6Very high5 Ų528.4 Ų28.42%0.0215%0.146CC..EExtended strand (participates in β ladder)trans-109138.6-176.7-66.4-69.1000112.6L30 S35 P43 N50 R77 C83 P85L30-Y79 HydrophobicContact CD2-CE1 4.17Å; S35-Y79 WeakPolarHBondContact CB-OH 3.41Å; S35-Y79 WeakPolarHBondContact OG-CE1 3.39Å; S35-Y79 PolarHBondContact OG-OH 3.33Å; P43-Y79 HydrophobicContact CB-CD2 3.68Å; P43-Y79 HydrophobicContact CB-CE2 4.38Å; P43-Y79 HydrophobicContact CB-CG 4.16Å; P43-Y79 HydrophobicContact CG-CD2 3.88Å; P43-Y79 HydrophobicContact CG-CE2 4.07Å; N50-Y79 PolarHBondContact N-O 2.99Å; N50-Y79 PolarHBondContact OD1-N 3.17Å; R77-Y79 VanDerWaalsContact CZ-CE2 3.46Å; R77-Y79 VanDerWaalsContact CZ-CZ 3.48Å; R77-Y79 PolarHBondContact NE-OH 3.05Å; R77-Y79 PolarHBondContact NH1-OH 3.11Å; R77-Y79 PolarHBondContact NH2-OH 3.13Å; Y79-C83 HydrophobicContact CD1-CB 4.02Å; Y79-C83 WeakPolarHBondContact CD1-O 3.3Å; Y79-C83 HydrophobicContact CE1-CB 4.36Å; Y79-C83 WeakPolarHBondContact CE1-O 3.4Å; Y79-C83 HydrophobicContact CG-CB 4.49Å; Y79-P85 HydrophobicContact CD1-CB 4.18Å; Y79-P85 HydrophobicContact CE1-CB 3.94Å
80L87.4Confident93.7Very high11 Ų1128.2 Ų28.26%0.05814%0.144CC..  trans-99.1-157.9164.8-68.7179.7000110.4G49 V51 Y78 C83 E84 Q86 I112 F235G49-L80 VanDerWaalsContact CA-O 3.32Å; G49-L80 WeakPolarHBondContact CA-O 3.36Å; G49-L80 PolarHBondContact N-O 2.96Å; V51-L80 HydrophobicContact CG2-CD2 3.97Å; Y78-L80 HydrophobicContact CD2-CD2 4.49Å; Y78-L80 HydrophobicContact CE2-CD2 3.68Å; Y78-L80 HydrophobicContact CE2-CG 3.93Å; L80-C83 PolarHBondContact O-N 3.49Å; L80-E84 PolarHBondContact N-O 3.29Å; L80-Q86 HydrophobicContact CD1-CG 3.59Å; L80-Q86 HydrophobicContact CG-CG 3.78Å; L80-I112 HydrophobicContact CD1-CD1 4.5Å; L80-F235 HydrophobicContact CD1-CE1 4.49Å; L80-F235 HydrophobicContact CD2-CD1 4.17Å; L80-F235 HydrophobicContact CD2-CE1 3.69Å; L80-F235 HydrophobicContact CD2-CZ 4.23Å
81L86.9Confident93.8Very high15 Ų1524.7 Ų24.78%0.07913%0.129CC..G310 helixtrans-53.1143.4177.9-64.2-175.4000111.7L47 F48 C83 E84 I232 F235 L236L47-L81 CarbonylContact O-C 3.59Å; L47-L81 WeakPolarHBondContact O-CA 3.32Å; F48-L81 HydrophobicContact CD1-CD2 3.65Å; F48-L81 HydrophobicContact CE1-CD2 4.34Å; L81-C83 PolarHBondContact O-N 2.79Å; L81-E84 WeakPolarHBondContact O-CB 3.31Å; L81-E84 PolarHBondContact O-N 3.44Å; L81-I232 HydrophobicContact CD2-CG2 4.43Å; L81-F235 HydrophobicContact CD1-CB 3.42Å; L81-F235 VanDerWaalsContact CD1-CB 3.42Å; L81-F235 HydrophobicContact CD2-CB 4.44Å; L81-F235 HydrophobicContact CG-CB 3.69Å; L81-L236 HydrophobicContact CD1-CD2 4.1Å
82F91Very high93.8Very high42 Ų4219.5 Ų19.518%0.18411%0.106CC..G310 helixtrans55.432.9179.5-44.3-67.3000113.6W21 V22 K25 I26 N29 Y46 L47 E84W21-F82 HydrophobicContact CH2-CE2 4.4Å; W21-F82 HydrophobicContact CZ3-CE2 4.37Å; W21-F82 HydrophobicContact CZ3-CZ 4.2Å; V22-F82 HydrophobicContact CG1-CD1 3.98Å; V22-F82 HydrophobicContact CG1-CE1 4.18Å; V22-F82 HydrophobicContact CG2-CD1 4.3Å; V22-F82 HydrophobicContact CG2-CE1 3.84Å; K25-F82 HydrophobicContact CG-CB 3.99Å; K25-F82 HydrophobicContact CG-CG 4.5Å; I26-F82 HydrophobicContact CG1-CB 4.01Å; N29-F82 PolarHBondContact ND2-O 3.27Å; Y46-F82 CarbonylContact O-C 3.54Å; Y46-F82 WeakPolarHBondContact O-CA 3.37Å; L47-F82 HydrophobicContact CD1-CD1 3.65Å; L47-F82 HydrophobicContact CD1-CE1 3.42Å; L47-F82 VanDerWaalsContact CD1-CE1 3.42Å; L47-F82 PolarHBondContact O-N 3.05Å; F82-E84 PolarHBondContact O-N 2.83Å
83C92.7Very high93.7Very high0 Ų022 Ų220%012%0.12CC..G310 helixtrans53.730.9-174-73.70000114.1I26 N29 L30 Y46 Y79 L80 L81 P85I26-C83 HydrophobicContact CG2-CB 4.46Å; N29-C83 VanDerWaalsContact CB-O 3.26Å; N29-C83 WeakPolarHBondContact CB-O 3.16Å; L30-C83 HydrophobicContact CD2-CB 3.89Å; L30-C83 HydrophobicContact CG-CB 4.01Å; Y46-C83 VanDerWaalsContact CA-SG 3.59Å; Y46-C83 PolarHBondContact O-N 2.95Å; Y46-C83 PolarHBondContact O-SG 3.33Å; Y79-C83 HydrophobicContact CD1-CB 4.02Å; Y79-C83 WeakPolarHBondContact CD1-O 3.3Å; Y79-C83 HydrophobicContact CE1-CB 4.36Å; Y79-C83 WeakPolarHBondContact CE1-O 3.4Å; Y79-C83 HydrophobicContact CG-CB 4.49Å; L80-C83 PolarHBondContact O-N 3.49Å; L81-C83 PolarHBondContact O-N 2.79Å; C83-P85 WeakPolarHBondContact O-CD 3.26Å; C83-P85 VanDerWaalsContact O-N 3.15Å
84E91.2Very high93.8Very high66 Ų6621.3 Ų21.331%0.30811%0.109SC..  trans-64.6114.1173.3-172.6-179.917000109.5N29 L80 L81 F82N29-E84 WeakPolarHBondContact ND2-CA 3.28Å; N29-E84 PolarHBondContact ND2-N 3.01Å; L80-E84 PolarHBondContact N-O 3.29Å; L81-E84 WeakPolarHBondContact O-CB 3.31Å; L81-E84 PolarHBondContact O-N 3.44Å; F82-E84 PolarHBondContact O-N 2.83Å
85P92.6Very high93.8Very high19 Ų1920.3 Ų20.312%0.12310%0.098CC..EExtended strand (participates in β ladder)trans-73.3138.9-17731.2-35.3000110.2V34 S35 Y79 C83V34-P85 HydrophobicContact CB-CB 4.23Å; V34-P85 HydrophobicContact CB-CG 4.14Å; V34-P85 HydrophobicContact CG1-CB 3.8Å; V34-P85 HydrophobicContact CG1-CG 4.2Å; S35-P85 WeakPolarHBondContact OG-CG 3.46Å; Y79-P85 HydrophobicContact CD1-CB 4.18Å; Y79-P85 HydrophobicContact CE1-CB 3.94Å; C83-P85 WeakPolarHBondContact O-CD 3.26Å; C83-P85 VanDerWaalsContact O-N 3.15Å
86Q91.4Very high93.7Very high9 Ų922.9 Ų22.94%0.04211%0.109CC..EExtended strand (participates in β ladder)trans-118.4138.3169.7-58.6-60.1-69.300108.4R77 Y78 L80R77-Q86 WeakPolarHBondContact CA-O 3.45Å; R77-Q86 WeakPolarHBondContact CB-O 3.27Å; Y78-Q86 HydrophobicContact CD1-CB 3.97Å; Y78-Q86 HydrophobicContact CE1-CB 3.46Å; Y78-Q86 VanDerWaalsContact CE1-CB 3.46Å; Y78-Q86 HydrophobicContact CE1-CG 4.22Å; Y78-Q86 HydrophobicContact CE2-CB 4.27Å; Y78-Q86 HydrophobicContact CE2-CG 4.22Å; Y78-Q86 PolarHBondContact N-O 3.27Å; Y78-Q86 VanDerWaalsContact N-O 3.07Å; Y78-Q86 PolarHBondContact O-N 2.66Å; L80-Q86 HydrophobicContact CD1-CG 3.59Å; L80-Q86 HydrophobicContact CG-CG 3.78Å
87I95.6Very high93.7Very high0 Ų025.2 Ų25.20%012%0.12CC..EExtended strand (participates in β ladder)trans-89.8137174.7-57.8-174.2000108.8V34 L38 I75 V89 V398 T402 K403 V404 L405V34-I87 HydrophobicContact CG1-CD1 3.95Å; V34-I87 HydrophobicContact CG1-CG1 3.56Å; V34-I87 HydrophobicContact CG2-CD1 4.09Å; L38-I87 HydrophobicContact CD2-CB 4.38Å; L38-I87 HydrophobicContact CD2-CD1 4.09Å; L38-I87 HydrophobicContact CD2-CG1 3.94Å; L38-I87 HydrophobicContact CD2-CG2 3.82Å; I75-I87 HydrophobicContact CD1-CG2 4.17Å; I75-I87 HydrophobicContact CG1-CG2 4.09Å; I87-V89 HydrophobicContact CG2-CG2 4.06Å; I87-V398 HydrophobicContact CD1-CB 4.47Å; I87-V398 HydrophobicContact CD1-CG1 4.04Å; I87-V398 HydrophobicContact CD1-CG2 3.73Å; I87-T402 HydrophobicContact CD1-CG2 3.59Å; I87-T402 HydrophobicContact CG1-CG2 3.93Å; I87-K403 PolarHBondContact N-O 3.16Å; I87-V404 HydrophobicContact CB-CG1 4.33Å; I87-V404 HydrophobicContact CB-CG2 4.28Å; I87-V404 HydrophobicContact CD1-CG2 4.49Å; I87-V404 HydrophobicContact CG2-CG1 4.05Å; I87-L405 PolarHBondContact O-N 3.23Å
88V95.7Very high93.8Very high0 Ų023.8 Ų23.80%012%0.115CC..EExtended strand (participates in β ladder)trans-116.3136.2169.9-179.40000108.8F65 I75 F76 Y78 T90 L405 L407F65-V88 HydrophobicContact CD1-CG1 4.39Å; F65-V88 HydrophobicContact CD1-CG2 4.3Å; F65-V88 HydrophobicContact CE1-CG2 3.96Å; I75-V88 WeakPolarHBondContact CA-O 3.34Å; F76-V88 HydrophobicContact CD1-CB 4.34Å; F76-V88 HydrophobicContact CD1-CG1 4.45Å; F76-V88 HydrophobicContact CD2-CB 3.96Å; F76-V88 HydrophobicContact CD2-CG2 4.3Å; F76-V88 HydrophobicContact CE1-CB 4Å; F76-V88 HydrophobicContact CE1-CG1 3.68Å; F76-V88 HydrophobicContact CE2-CB 3.57Å; F76-V88 HydrophobicContact CE2-CG1 3.82Å; F76-V88 HydrophobicContact CE2-CG2 3.77Å; F76-V88 HydrophobicContact CG-CB 4.34Å; F76-V88 HydrophobicContact CZ-CB 3.62Å; F76-V88 HydrophobicContact CZ-CG1 3.33Å; F76-V88 HydrophobicContact CZ-CG2 4.17Å; F76-V88 PolarHBondContact N-O 2.97Å; F76-V88 PolarHBondContact O-N 3.46Å; Y78-V88 HydrophobicContact CD1-CG2 3.49Å; Y78-V88 VanDerWaalsContact CD1-CG2 3.49Å; Y78-V88 HydrophobicContact CE1-CG2 3.49Å; Y78-V88 VanDerWaalsContact CE1-CG2 3.49Å; V88-T90 HydrophobicContact CG1-CG2 4.45Å; V88-L405 CarbonylContact C-O 3.3Å; V88-L405 WeakPolarHBondContact CA-O 3.41Å; V88-L405 HydrophobicContact CG2-CB 4.38Å; V88-L405 HydrophobicContact CG2-CD2 4.31Å; V88-L407 HydrophobicContact CG1-CD1 3.41Å; V88-L407 VanDerWaalsContact CG1-CD1 3.41Å; V88-L407 HydrophobicContact CG1-CG 4.05Å
89V97.1Very high93.9Very high0 Ų023.3 Ų23.30%011%0.113CC..EExtended strand (participates in β ladder)trans-126.9124.4176.8-1780000109.6I75 I87 I94 L95 I98 L393 V404 L405 L407I75-V89 HydrophobicContact CD1-CG2 4.26Å; I75-V89 HydrophobicContact CG1-CG2 4.27Å; I87-V89 HydrophobicContact CG2-CG2 4.06Å; V89-I94 HydrophobicContact CB-CG2 4.5Å; V89-I94 HydrophobicContact CG1-CB 3.68Å; V89-I94 HydrophobicContact CG1-CG2 3.51Å; V89-I94 HydrophobicContact CG2-CG2 4.14Å; V89-L95 HydrophobicContact CB-CD2 4.26Å; V89-L95 HydrophobicContact CG1-CD2 3.9Å; V89-L95 HydrophobicContact CG1-CG 3.97Å; V89-I98 HydrophobicContact CB-CD1 4.39Å; V89-I98 HydrophobicContact CG1-CD1 4.37Å; V89-I98 HydrophobicContact CG2-CD1 4.04Å; V89-L393 HydrophobicContact CG2-CD1 4.09Å; V89-V404 HydrophobicContact CB-CG1 4.48Å; V89-V404 HydrophobicContact CG2-CG1 3.58Å; V89-L405 PolarHBondContact N-O 2.88Å; V89-L407 PolarHBondContact O-N 3.45Å
90T96.3Very high94Very high1 Ų126 Ų261%0.00613%0.129CC..  trans-124.6-4.9172.353.60000111.9A69 G74 V88 L407 V410 M411A69-T90 HydrophobicContact CB-CG2 4.16Å; G74-T90 WeakPolarHBondContact CA-OG1 3.41Å; G74-T90 PolarHBondContact O-N 2.89Å; G74-T90 PolarHBondContact O-OG1 3.5Å; V88-T90 HydrophobicContact CG1-CG2 4.45Å; T90-L407 HydrophobicContact CG2-CB 3.86Å; T90-V410 HydrophobicContact CG2-CB 3.89Å; T90-V410 HydrophobicContact CG2-CG1 3.63Å; T90-M411 WeakPolarHBondContact O-CB 3.15Å; T90-M411 WeakPolarHBondContact O-CG 3.45Å
91D95.8Very high94.4Very high52 Ų5230 Ų3028%0.27815%0.154SC..  trans-69.6125.8175.4-174.4-85.4000111.7G74 E93 I94 L95G74-D91 PolarHBondContact O-N 2.81Å; D91-E93 PolarHBondContact O-N 3.01Å; D91-E93 WeakPolarHBondContact OD1-CA 3.34Å; D91-E93 WeakPolarHBondContact OD1-CB 3.38Å; D91-E93 PolarHBondContact OD1-N 3.18Å; D91-I94 HydrophobicContact CB-CB 4.02Å; D91-I94 HydrophobicContact CB-CD1 3.88Å; D91-I94 HydrophobicContact CB-CG1 3.9Å; D91-I94 PolarHBondContact O-N 3.35Å; D91-I94 PolarHBondContact OD1-N 3.21Å; D91-L95 WeakPolarHBondContact O-CB 3.25Å; D91-L95 WeakPolarHBondContact O-CG 3.42Å; D91-L95 PolarHBondContact O-N 2.86Å
92P94.8Very high94.9Very high16 Ų1631.4 Ų31.410%0.10416%0.162CC..Hα-helixtrans-58.3-41.5-178.7-24.233.3000114.3L95 K96 M411 N417 V439P92-L95 PolarHBondContact O-N 2.98Å; P92-K96 WeakPolarHBondContact O-CB 3.45Å; P92-K96 PolarHBondContact O-N 3.45Å; P92-M411 HydrophobicContact CG-CG 3.94Å; P92-M411 HydrophobicContact CG-SD 4.12Å; P92-N417 WeakPolarHBondContact CG-OD1 3.32Å; P92-V439 HydrophobicContact CB-CG1 3.96Å; P92-V439 HydrophobicContact CG-CG1 3.72Å
93E94.4Very high95.1Very high116 Ų11633 Ų3354%0.54217%0.167SC..Hα-helixtrans-71-41.9-178.2-72.9-60124.400111D91 L95 K96 H97D91-E93 PolarHBondContact O-N 3.01Å; D91-E93 WeakPolarHBondContact OD1-CA 3.34Å; D91-E93 WeakPolarHBondContact OD1-CB 3.38Å; D91-E93 PolarHBondContact OD1-N 3.18Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.3Å; E93-K96 WeakPolarHBondContact O-CB 3.45Å; E93-K96 PolarHBondContact O-N 3.09Å; E93-H97 PolarHBondContact O-N 3.32Å
94I96.6Very high95.3Very high16 Ų1640.1 Ų40.18%0.08220%0.198CC..Hα-helixtrans-66.2-38.1174.3-56.2179.3000110.6I75 V89 D91 H97 I98 L393I75-I94 HydrophobicContact CB-CD1 4.04Å; I75-I94 HydrophobicContact CD1-CD1 4.24Å; I75-I94 HydrophobicContact CG2-CD1 3.97Å; V89-I94 HydrophobicContact CB-CG2 4.5Å; V89-I94 HydrophobicContact CG1-CB 3.68Å; V89-I94 HydrophobicContact CG1-CG2 3.51Å; V89-I94 HydrophobicContact CG2-CG2 4.14Å; D91-I94 HydrophobicContact CB-CB 4.02Å; D91-I94 HydrophobicContact CB-CD1 3.88Å; D91-I94 HydrophobicContact CB-CG1 3.9Å; D91-I94 PolarHBondContact O-N 3.35Å; D91-I94 PolarHBondContact OD1-N 3.21Å; I94-H97 WeakPolarHBondContact O-CB 3.46Å; I94-H97 PolarHBondContact O-N 3.01Å; I94-I98 HydrophobicContact CG2-CD1 4.09Å; I94-I98 WeakPolarHBondContact O-CG1 3.16Å; I94-I98 PolarHBondContact O-N 2.9Å; I94-L393 HydrophobicContact CG2-CB 3.77Å; I94-L393 HydrophobicContact CG2-CD1 4.21Å; I94-L393 HydrophobicContact CG2-CD2 3.77Å; I94-L393 HydrophobicContact CG2-CG 4.12Å
95L96Very high95.5Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-62.6-42.8174.1-74.6176.9000111.7V89 D91 P92 E93 H97 I98 Y99 T406 H408 M411 M441V89-L95 HydrophobicContact CB-CD2 4.26Å; V89-L95 HydrophobicContact CG1-CD2 3.9Å; V89-L95 HydrophobicContact CG1-CG 3.97Å; D91-L95 WeakPolarHBondContact O-CB 3.25Å; D91-L95 WeakPolarHBondContact O-CG 3.42Å; D91-L95 PolarHBondContact O-N 2.86Å; P92-L95 PolarHBondContact O-N 2.98Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.3Å; L95-H97 VanDerWaalsContact C-N 3.28Å; L95-H97 PolarHBondContact O-N 2.83Å; L95-I98 PolarHBondContact O-N 3.31Å; L95-Y99 VanDerWaalsContact O-CB 3.29Å; L95-Y99 WeakPolarHBondContact O-CB 3.19Å; L95-Y99 PolarHBondContact O-N 2.94Å; L95-T406 VanDerWaalsContact CD2-CB 3.43Å; L95-T406 HydrophobicContact CD2-CG2 3.67Å; L95-H408 HydrophobicContact CD1-CB 4.14Å; L95-M411 HydrophobicContact CD1-CB 4.07Å; L95-M411 HydrophobicContact CD1-CE 3.83Å; L95-M411 HydrophobicContact CD1-CG 3.94Å; L95-M441 HydrophobicContact CD1-SD 4.24Å
96K94.8Very high95.7Very high66 Ų6636.6 Ų36.629%0.28718%0.18SC..Hα-helixtrans-60.4-39.2173.5-173.7178.5-173.5168.70111.2P92 E93 Y99 V100 T101 D438P92-K96 WeakPolarHBondContact O-CB 3.45Å; P92-K96 PolarHBondContact O-N 3.45Å; E93-K96 WeakPolarHBondContact O-CB 3.45Å; E93-K96 PolarHBondContact O-N 3.09Å; K96-Y99 PolarHBondContact O-N 3.46Å; K96-V100 HydrophobicContact CG-CB 4.38Å; K96-V100 HydrophobicContact CG-CG2 4.38Å; K96-V100 WeakPolarHBondContact O-CA 3.39Å; K96-V100 VanDerWaalsContact O-CB 3.24Å; K96-V100 WeakPolarHBondContact O-CB 3.35Å; K96-V100 PolarHBondContact O-N 3.29Å; K96-T101 PolarHBondContact O-N 3.39Å; K96-D438 WeakPolarHBondContact CD-OD1 3.48Å; K96-D438 WeakPolarHBondContact CE-OD1 3.41Å; K96-D438 VanDerWaalsContact NZ-CG 3.26Å; K96-D438 IonicContact NZ-OD1 3.3Å; K96-D438 PolarHBondContact NZ-OD1 2.95Å; K96-D438 VanDerWaalsContact NZ-OD1 3.12Å; K96-D438 IonicContact NZ-OD2 2.87Å; K96-D438 PolarHBondContact NZ-OD2 2.94Å
97H96.4Very high95.9Very high49 Ų4941 Ų4123%0.22720%0.196CC..Iπ-helixtrans-60-50.6173.5-179.277.5000112.3E93 I94 L95 Y99 T101 N102 D391E93-H97 PolarHBondContact O-N 3.32Å; I94-H97 WeakPolarHBondContact O-CB 3.46Å; I94-H97 PolarHBondContact O-N 3.01Å; L95-H97 VanDerWaalsContact C-N 3.28Å; L95-H97 PolarHBondContact O-N 2.83Å; H97-Y99 PolarHBondContact O-N 3.31Å; H97-T101 VanDerWaalsContact CA-OG1 3.25Å; H97-T101 WeakPolarHBondContact CA-OG1 3.24Å; H97-T101 PolarHBondContact ND1-OG1 2.76Å; H97-T101 VanDerWaalsContact ND1-OG1 3.16Å; H97-T101 PolarHBondContact O-N 3.25Å; H97-T101 PolarHBondContact O-OG1 2.92Å; H97-N102 VanDerWaalsContact CE1-CB 3.42Å; H97-N102 WeakPolarHBondContact CE1-CB 3.4Å; H97-N102 PolarHBondContact O-N 3.02Å; H97-D391 IonicContact CD2-OD2 3.92Å; H97-D391 IonicContact CE1-OD2 3.12Å; H97-D391 IonicContact NE2-OD1 2.71Å; H97-D391 IonicContact NE2-OD2 3.71Å; H97-D391 PolarHBondContact NE2-OD2 3.36Å
98I97Very high95.7Very high0 Ų043.6 Ų43.60%021%0.208CC..Iπ-helixtrans-66.4-38-178.8-66.3167.1000112.1V89 I94 L95 W103 Y106 R385 L393 V404 T406V89-I98 HydrophobicContact CB-CD1 4.39Å; V89-I98 HydrophobicContact CG1-CD1 4.37Å; V89-I98 HydrophobicContact CG2-CD1 4.04Å; I94-I98 HydrophobicContact CG2-CD1 4.09Å; I94-I98 WeakPolarHBondContact O-CG1 3.16Å; I94-I98 PolarHBondContact O-N 2.9Å; L95-I98 PolarHBondContact O-N 3.31Å; I98-W103 WeakPolarHBondContact O-CA 3.49Å; I98-Y106 HydrophobicContact CB-CD2 4.25Å; I98-Y106 HydrophobicContact CB-CG 4.43Å; I98-Y106 HydrophobicContact CG1-CD2 4.21Å; I98-Y106 HydrophobicContact CG1-CE1 4.37Å; I98-Y106 HydrophobicContact CG1-CE2 4.05Å; I98-Y106 HydrophobicContact CG1-CG 4.45Å; I98-Y106 HydrophobicContact CG2-CD1 4.19Å; I98-Y106 HydrophobicContact CG2-CD2 4.11Å; I98-Y106 HydrophobicContact CG2-CG 3.8Å; I98-R385 HydrophobicContact CG2-CB 4.41Å; I98-R385 HydrophobicContact CG2-CG 3.81Å; I98-L393 HydrophobicContact CD1-CD1 4.01Å; I98-L393 HydrophobicContact CD1-CD2 3.98Å; I98-L393 HydrophobicContact CG1-CD2 3.78Å; I98-V404 HydrophobicContact CD1-CG1 3.9Å; I98-T406 HydrophobicContact CD1-CG2 3.9Å; I98-T406 HydrophobicContact CG2-CG2 3.93Å
99Y95.6Very high95.2Very high6 Ų644.8 Ų44.82%0.02422%0.216CC..Iπ-helixtrans-90.8-29.9-173.8-70.8-12.3000114.3L95 K96 H97 W103 R385 T406 H408 M441 A445 P447L95-Y99 VanDerWaalsContact O-CB 3.29Å; L95-Y99 WeakPolarHBondContact O-CB 3.19Å; L95-Y99 PolarHBondContact O-N 2.94Å; K96-Y99 PolarHBondContact O-N 3.46Å; H97-Y99 PolarHBondContact O-N 3.31Å; Y99-W103 WeakPolarHBondContact O-CB 3.38Å; Y99-R385 VanDerWaalsContact CE1-NH2 3.34Å; Y99-T406 HydrophobicContact CE1-CG2 3.95Å; Y99-T406 WeakPolarHBondContact OH-CB 3.13Å; Y99-T406 PolarHBondContact OH-OG1 2.89Å; Y99-H408 PolarHBondContact OH-ND1 3.4Å; Y99-M441 HydrophobicContact CD2-SD 3.93Å; Y99-M441 HydrophobicContact CE2-SD 3.67Å; Y99-A445 HydrophobicContact CD2-CB 3.97Å; Y99-P447 WeakPolarHBondContact O-CD 3.32Å
100V94.7Very high94.2Very high61 Ų6146.2 Ų46.237%0.3723%0.225SC..Iπ-helixtrans-123.2-56.4-165.9-171.30000112.4K96 W103 A445K96-V100 HydrophobicContact CG-CB 4.38Å; K96-V100 HydrophobicContact CG-CG2 4.38Å; K96-V100 WeakPolarHBondContact O-CA 3.39Å; K96-V100 VanDerWaalsContact O-CB 3.24Å; K96-V100 WeakPolarHBondContact O-CB 3.35Å; K96-V100 PolarHBondContact O-N 3.29Å; V100-W103 VanDerWaalsContact O-CD1 3.23Å; V100-A445 HydrophobicContact CG2-CB 4.1Å
101T95.9Very high92.9Very high95 Ų9548.5 Ų48.558%0.58324%0.239SC*.Iπ-helixtrans-84.6-41.1-169.864.90000112.5K96 H97K96-T101 PolarHBondContact O-N 3.39Å; H97-T101 VanDerWaalsContact CA-OG1 3.25Å; H97-T101 WeakPolarHBondContact CA-OG1 3.24Å; H97-T101 PolarHBondContact ND1-OG1 2.76Å; H97-T101 VanDerWaalsContact ND1-OG1 3.16Å; H97-T101 PolarHBondContact O-N 3.25Å; H97-T101 PolarHBondContact O-OG1 2.92Å
102N96.7Very high91.3Very high46 Ų4648.2 Ų48.225%0.24624%0.237CC..SBendtrans-115.626.3178-158.919.4000113.8H97 K104 N105 Y106 D391H97-N102 VanDerWaalsContact CE1-CB 3.42Å; H97-N102 WeakPolarHBondContact CE1-CB 3.4Å; H97-N102 PolarHBondContact O-N 3.02Å; N102-K104 PolarHBondContact O-N 2.68Å; N102-N105 WeakPolarHBondContact O-CB 3.31Å; N102-N105 PolarHBondContact O-N 3.05Å; N102-Y106 HydrophobicContact CB-CE2 4.38Å; N102-Y106 WeakPolarHBondContact O-CD2 3.37Å; N102-D391 PolarHBondContact ND2-OD2 3.19Å
103W95.4Very high89.8Confident74 Ų7448 Ų4828%0.2824%0.238SC..G310 helixtrans-53.7-29.1-176.373.9-87000114.9I98 Y99 V100 N105 Y106 P447I98-W103 WeakPolarHBondContact O-CA 3.49Å; Y99-W103 WeakPolarHBondContact O-CB 3.38Å; V100-W103 VanDerWaalsContact O-CD1 3.23Å; W103-N105 PolarHBondContact O-N 2.9Å; W103-Y106 PolarHBondContact O-N 3.26Å; W103-Y106 VanDerWaalsContact O-N 3.08Å; W103-P447 HydrophobicContact CD2-CB 4.22Å; W103-P447 HydrophobicContact CD2-CG 3.73Å; W103-P447 HydrophobicContact CE3-CB 4.37Å; W103-P447 HydrophobicContact CE3-CG 4.37Å; W103-P447 HydrophobicContact CG-CG 3.9Å; W103-P447 HydrophobicContact CZ2-CB 4.37Å; W103-P447 HydrophobicContact CZ2-CG 4.07Å
104K96.3Very high88.4Confident150 Ų15043.5 Ų43.565%0.65222%0.218SC*.G310 helixtrans-63.7-28.3178.6-67.6-176.7-178175.40112.1N102 Y106N102-K104 PolarHBondContact O-N 2.68Å; K104-Y106 VanDerWaalsContact C-N 3.34Å
105N97.3Very high87Confident9 Ų944.1 Ų44.15%0.04822%0.224CC..G310 helixtrans-79.8-16.6176.7-164.131.2000112.9N102 W103 A387 L388 K389N102-N105 WeakPolarHBondContact O-CB 3.31Å; N102-N105 PolarHBondContact O-N 3.05Å; W103-N105 PolarHBondContact O-N 2.9Å; N105-A387 CarbonylContact O-C 3.39Å; N105-A387 WeakPolarHBondContact O-CA 3.35Å; N105-L388 PolarHBondContact O-N 3.3Å; N105-L388 PolarHBondContact OD1-N 3.25Å; N105-K389 PolarHBondContact ND2-O 2.73Å; N105-K389 VanDerWaalsContact ND2-O 3.13Å; N105-K389 WeakPolarHBondContact OD1-CA 3.49Å; N105-K389 WeakPolarHBondContact OD1-CB 3.34Å; N105-K389 PolarHBondContact OD1-N 3.31Å
106Y96.5Very high85.6Confident2 Ų245.2 Ų45.21%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-116.984.9-170.6-69.2-74.4000112.8I98 N102 W103 K104 R385 A387 D391 L393 V404I98-Y106 HydrophobicContact CB-CD2 4.25Å; I98-Y106 HydrophobicContact CB-CG 4.43Å; I98-Y106 HydrophobicContact CG1-CD2 4.21Å; I98-Y106 HydrophobicContact CG1-CE1 4.37Å; I98-Y106 HydrophobicContact CG1-CE2 4.05Å; I98-Y106 HydrophobicContact CG1-CG 4.45Å; I98-Y106 HydrophobicContact CG2-CD1 4.19Å; I98-Y106 HydrophobicContact CG2-CD2 4.11Å; I98-Y106 HydrophobicContact CG2-CG 3.8Å; N102-Y106 HydrophobicContact CB-CE2 4.38Å; N102-Y106 WeakPolarHBondContact O-CD2 3.37Å; W103-Y106 PolarHBondContact O-N 3.26Å; W103-Y106 VanDerWaalsContact O-N 3.08Å; K104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-R385 HydrophobicContact CD1-CB 4.22Å; Y106-A387 HydrophobicContact CD1-CB 4.34Å; Y106-A387 HydrophobicContact CE1-CB 3.92Å; Y106-D391 VanDerWaalsContact CE2-OD2 3.31Å; Y106-D391 WeakPolarHBondContact CE2-OD2 3.31Å; Y106-D391 WeakPolarHBondContact OH-CB 3.41Å; Y106-D391 PolarHBondContact OH-OD2 3.3Å; Y106-L393 HydrophobicContact CE2-CD2 4.47Å; Y106-L393 WeakPolarHBondContact OH-CD2 3.2Å; Y106-V404 HydrophobicContact CE1-CG2 4.36Å
107W94.3Very high84.2Confident102 Ų10243.3 Ų43.339%0.38623%0.228SC..EExtended strand (participates in β ladder)trans-74.3150.5177-80.118.1000111.9N130 R385 H386 L388W107-N130 WeakPolarHBondContact CA-OD1 3.47Å; W107-N130 HydrophobicContact CB-CB 4.3Å; W107-N130 WeakPolarHBondContact CB-OD1 3.48Å; W107-N130 HydrophobicContact CD2-CB 3.41Å; W107-N130 VanDerWaalsContact CD2-CB 3.41Å; W107-N130 HydrophobicContact CE3-CB 3.59Å; W107-N130 HydrophobicContact CG-CB 3.76Å; W107-N130 HydrophobicContact CH2-CB 4.42Å; W107-N130 HydrophobicContact CZ2-CB 4.28Å; W107-N130 HydrophobicContact CZ3-CB 4.1Å; W107-R385 CarbonylContact O-C 2.85Å; W107-R385 WeakPolarHBondContact O-CA 3.47Å; W107-H386 PolarHBondContact N-O 3.42Å; W107-H386 VanDerWaalsContact N-O 3.1Å; W107-H386 PolarHBondContact O-N 2.86Å; W107-L388 HydrophobicContact CD2-CD1 3.81Å; W107-L388 HydrophobicContact CD2-CD2 4.16Å; W107-L388 HydrophobicContact CD2-CG 4.4Å; W107-L388 HydrophobicContact CE3-CD2 4.29Å; W107-L388 HydrophobicContact CG-CD1 3.86Å; W107-L388 HydrophobicContact CG-CD2 4.3Å; W107-L388 HydrophobicContact CG-CG 4.22Å; W107-L388 HydrophobicContact CZ2-CD1 4.15Å
108K91.4Very high83Confident54 Ų5441.2 Ų41.224%0.23522%0.218CC..EExtended strand (participates in β ladder)trans-63.7142.7169-124.3175.2171.21720108.9V127 F128 N130 L384K108-V127 WeakPolarHBondContact CD-O 3.49Å; K108-V127 WeakPolarHBondContact CE-O 3.24Å; K108-V127 PolarHBondContact NZ-O 3.22Å; K108-F128 HydrophobicContact CD-CD1 4.29Å; K108-F128 HydrophobicContact CD-CE1 4.35Å; K108-N130 PolarHBondContact N-OD1 2.94Å; K108-N130 PolarHBondContact O-ND2 2.85Å; K108-L384 WeakPolarHBondContact CA-O 3.49Å
109S85.4Confident81.9Confident26 Ų2645.7 Ų45.718%0.18224%0.238CC..  trans-122.6162.3164.8-176.30000110L384S109-L384 PolarHBondContact N-O 2.85Å
110T76.9Confident81.1Confident29 Ų2946.9 Ų46.918%0.17824%0.243CC..PPolyproline II helixtrans-89.3145.3165.850.80000110.3V118 F128 L384T110-V118 HydrophobicContact CG2-CB 4.47Å; T110-V118 HydrophobicContact CG2-CG1 4Å; T110-F128 HydrophobicContact CG2-CD1 3.88Å; T110-F128 HydrophobicContact CG2-CE1 3.89Å; T110-L384 VanDerWaalsContact O-CD2 3.31Å; T110-L384 WeakPolarHBondContact O-CD2 3.4Å
111P68.2Low80.7Confident49 Ų4944 Ų4432%0.31823%0.226SC..PPolyproline II helixtrans-64.6145.5174.9-15.328000111.9G113 L114 L384P111-G113 PolarHBondContact O-N 3.29Å; P111-L114 HydrophobicContact CB-CB 4.16Å; P111-L114 HydrophobicContact CB-CD1 4.02Å; P111-L114 HydrophobicContact CB-CG 4.48Å; P111-L114 HydrophobicContact CG-CB 4.39Å; P111-L114 HydrophobicContact CG-CD1 4.17Å; P111-L114 PolarHBondContact O-N 3.03Å; P111-L384 HydrophobicContact CB-CD2 4.4Å
112I63.7Low80.1Confident46 Ų4639.8 Ų39.824%0.23620%0.201CC..THydrogen-bonded Turntrans-61.9131.9173.3-61.9169.8000108.3L80 L114L80-I112 HydrophobicContact CD1-CD1 4.5Å; I112-L114 VanDerWaalsContact C-N 3.25Å; I112-L114 PolarHBondContact O-N 2.67Å
113G61.9Low79.5Confident12 Ų1242 Ų4212%0.12421%0.213CC..THydrogen-bonded Turntrans76.84.5179.400000116.2P111 R234P111-G113 PolarHBondContact O-N 3.29Å; G113-R234 WeakPolarHBondContact CA-O 3.45Å
114L65.8Low79.1Confident22 Ų2241.5 Ų41.512%0.11521%0.213CC..  trans-122.715.9170.1-65.7171.9000111.3P111 I112 A116 S117 V118 E240 L486P111-L114 HydrophobicContact CB-CB 4.16Å; P111-L114 HydrophobicContact CB-CD1 4.02Å; P111-L114 HydrophobicContact CB-CG 4.48Å; P111-L114 HydrophobicContact CG-CB 4.39Å; P111-L114 HydrophobicContact CG-CD1 4.17Å; P111-L114 PolarHBondContact O-N 3.03Å; I112-L114 VanDerWaalsContact C-N 3.25Å; I112-L114 PolarHBondContact O-N 2.67Å; L114-A116 PolarHBondContact O-N 2.92Å; L114-S117 PolarHBondContact O-N 3.24Å; L114-V118 HydrophobicContact CB-CG2 4.22Å; L114-V118 VanDerWaalsContact O-CB 3.26Å; L114-V118 WeakPolarHBondContact O-CB 3.46Å; L114-V118 WeakPolarHBondContact O-CG2 3.36Å; L114-V118 PolarHBondContact O-N 2.95Å; L114-E240 VanDerWaalsContact C-OE1 3.29Å; L114-E240 WeakPolarHBondContact CA-OE1 3.3Å; L114-L486 HydrophobicContact CD1-CD1 4.26Å; L114-L486 HydrophobicContact CD2-CD1 3.44Å; L114-L486 VanDerWaalsContact CD2-CD1 3.44Å; L114-L486 HydrophobicContact CD2-CG 4.18Å
115S67.8Low78.8Confident28 Ų2834.3 Ų34.320%0.19618%0.182CC..Hα-helixtrans-64.7-46.4-172.395.50000110.2V118 K119 E240S115-V118 PolarHBondContact O-N 3.37Å; S115-K119 WeakPolarHBondContact O-CA 3.5Å; S115-K119 WeakPolarHBondContact O-CB 3.31Å; S115-K119 WeakPolarHBondContact O-CD 3.4Å; S115-K119 WeakPolarHBondContact O-CG 3.24Å; S115-K119 PolarHBondContact O-N 2.94Å; S115-K119 PolarHBondContact OG-NZ 3.02Å; S115-E240 WeakPolarHBondContact CB-OE2 3.44Å; S115-E240 PolarHBondContact N-OE1 3.19Å; S115-E240 PolarHBondContact N-OE2 2.82Å; S115-E240 PolarHBondContact OG-OE2 2.69Å
116A65.7Low78.6Confident23 Ų2334.6 Ų34.619%0.1918%0.183CC..Hα-helixtrans-72.1-33.5177.500000112.4L114 V118 E240 R254L114-A116 PolarHBondContact O-N 2.92Å; A116-V118 PolarHBondContact O-N 3.39Å; A116-E240 HydrophobicContact CB-CB 3.88Å; A116-E240 VanDerWaalsContact CB-CD 3.41Å; A116-E240 HydrophobicContact CB-CG 4.07Å; A116-E240 WeakPolarHBondContact CB-OE2 3.29Å; A116-E240 PolarHBondContact N-OE1 3.49Å; A116-E240 PolarHBondContact N-OE2 2.85Å; A116-R254 PolarHBondContact O-NH1 3.08Å
117S64.8Low78.3Confident26 Ų2635.6 Ų35.618%0.18219%0.19CC..Hα-helixtrans-65.1-19.6174.4-72.70000113.3L114 F120L114-S117 PolarHBondContact O-N 3.24Å; S117-F120 WeakPolarHBondContact O-CD1 3.46Å; S117-F120 WeakPolarHBondContact O-CE1 3.32Å
118V72.5Confident78Confident6 Ų631.7 Ų31.74%0.03618%0.176CC..Hα-helixtrans-116.3-34.8-173.7176.40000111.8T110 L114 S115 A116 F120 I121 F128 F487T110-V118 HydrophobicContact CG2-CB 4.47Å; T110-V118 HydrophobicContact CG2-CG1 4Å; L114-V118 HydrophobicContact CB-CG2 4.22Å; L114-V118 VanDerWaalsContact O-CB 3.26Å; L114-V118 WeakPolarHBondContact O-CB 3.46Å; L114-V118 WeakPolarHBondContact O-CG2 3.36Å; L114-V118 PolarHBondContact O-N 2.95Å; S115-V118 PolarHBondContact O-N 3.37Å; A116-V118 PolarHBondContact O-N 3.39Å; V118-F120 PolarHBondContact O-N 3.46Å; V118-I121 WeakPolarHBondContact O-CB 3.33Å; V118-I121 WeakPolarHBondContact O-CG1 3.3Å; V118-I121 PolarHBondContact O-N 3.28Å; V118-F128 HydrophobicContact CB-CZ 4.34Å; V118-F128 HydrophobicContact CG1-CD1 4.46Å; V118-F128 HydrophobicContact CG1-CD2 4.43Å; V118-F128 HydrophobicContact CG1-CE1 3.45Å; V118-F128 VanDerWaalsContact CG1-CE1 3.45Å; V118-F128 HydrophobicContact CG1-CE2 3.4Å; V118-F128 VanDerWaalsContact CG1-CE2 3.4Å; V118-F128 HydrophobicContact CG1-CZ 2.85Å; V118-F487 HydrophobicContact CG1-CD2 4.44Å; V118-F487 HydrophobicContact CG1-CE2 4.29Å; V118-F487 HydrophobicContact CG2-CD2 4.03Å
119K72.3Confident78.1Confident93 Ų9329.3 Ų29.340%0.40417%0.166SC..Hα-helixtrans-65.6-17.2177.9-75.7171177.5173.60113.8S115 I121 G122S115-K119 WeakPolarHBondContact O-CA 3.5Å; S115-K119 WeakPolarHBondContact O-CB 3.31Å; S115-K119 WeakPolarHBondContact O-CD 3.4Å; S115-K119 WeakPolarHBondContact O-CG 3.24Å; S115-K119 PolarHBondContact O-N 2.94Å; S115-K119 PolarHBondContact OG-NZ 3.02Å; K119-I121 PolarHBondContact O-N 2.99Å; K119-G122 PolarHBondContact O-N 3.21Å
120F80.8Confident78.4Confident31 Ų3129.5 Ų29.514%0.13617%0.165CC..THydrogen-bonded Turntrans-62.1-2217588.9-90.3000112.8S117 V118 G122 F219 R254 I257 M311 T315S117-F120 WeakPolarHBondContact O-CD1 3.46Å; S117-F120 WeakPolarHBondContact O-CE1 3.32Å; V118-F120 PolarHBondContact O-N 3.46Å; F120-G122 PolarHBondContact O-N 3Å; F120-F219 HydrophobicContact CE2-CE1 4.5Å; F120-R254 HydrophobicContact CB-CB 4.31Å; F120-R254 HydrophobicContact CB-CG 3.64Å; F120-R254 HydrophobicContact CD2-CG 4.43Å; F120-R254 HydrophobicContact CG-CG 3.98Å; F120-I257 HydrophobicContact CE2-CD1 4.23Å; F120-M311 HydrophobicContact CD2-SD 4.25Å; F120-M311 HydrophobicContact CE2-SD 4.25Å; F120-M311 WeakPolarHBondContact O-CG 3.41Å; F120-T315 HydrophobicContact CZ-CG2 3.99Å
121I84.8Confident79.2Confident2 Ų229.3 Ų29.31%0.0117%0.169CC..THydrogen-bonded Turntrans-67.4-23.1175.8-60.7176.1000111.2V118 K119 V127 F128 M311 T315 F487V118-I121 WeakPolarHBondContact O-CB 3.33Å; V118-I121 WeakPolarHBondContact O-CG1 3.3Å; V118-I121 PolarHBondContact O-N 3.28Å; K119-I121 PolarHBondContact O-N 2.99Å; I121-V127 HydrophobicContact CG2-CB 4.48Å; I121-F128 HydrophobicContact CB-CD2 4.48Å; I121-F128 HydrophobicContact CB-CE2 4.06Å; I121-F128 HydrophobicContact CD1-CE2 4.12Å; I121-F128 HydrophobicContact CG2-CE2 4.32Å; I121-M311 WeakPolarHBondContact O-CB 3.47Å; I121-M311 VanDerWaalsContact O-CG 3.3Å; I121-M311 WeakPolarHBondContact O-CG 3.39Å; I121-T315 HydrophobicContact CD1-CG2 3.89Å; I121-T315 HydrophobicContact CG1-CG2 4.07Å; I121-F487 HydrophobicContact CD1-CE1 4Å; I121-F487 HydrophobicContact CD1-CE2 4.09Å; I121-F487 HydrophobicContact CD1-CZ 3.65Å
122G83.3Confident80.3Confident5 Ų532.8 Ų32.85%0.05218%0.181CC..  trans108.4144-173.400000112K119 F120 F128 D308K119-G122 PolarHBondContact O-N 3.21Å; F120-G122 PolarHBondContact O-N 3Å; G122-F128 WeakPolarHBondContact O-CD2 3.14Å; G122-D308 VanDerWaalsContact C-OD2 3.26Å; G122-D308 WeakPolarHBondContact CA-OD1 3.46Å; G122-D308 WeakPolarHBondContact CA-OD2 3.36Å
123N83.6Confident81.7Confident93 Ų9333.1 Ų33.150%0.49718%0.183SC..SBendtrans-91.7-23178.2-68.4-47.3000112.1S129 D308N123-S129 PolarHBondContact O-N 3.05Å; N123-D308 PolarHBondContact N-OD2 3.38Å
124E88.3Confident83.2Confident63 Ų6333.1 Ų33.129%0.29418%0.179SC..SBendtrans-90.6-15.9-178-55.1-169.8115.700111.8S129 L133 H137 S304 E305 D308E124-S129 WeakPolarHBondContact O-CB 3.3Å; E124-L133 HydrophobicContact CB-CD2 4.28Å; E124-H137 PolarHBondContact O-CE1 3.23Å; E124-H137 PolarHBondContact O-ND1 3.47Å; E124-S304 VanDerWaalsContact OE2-CB 3.27Å; E124-S304 WeakPolarHBondContact OE2-CB 3.48Å; E124-S304 PolarHBondContact OE2-OG 3.47Å; E124-E305 HydrophobicContact CB-CG 4.29Å; E124-D308 HydrophobicContact CB-CB 4.27Å; E124-D308 PolarHBondContact N-OD2 3.35Å
125G90.7Very high84.5Confident0 Ų037.5 Ų37.50%020%0.198CC..SBendtrans-68.5155.2177.700000113.5V127 F128 S129 E309G125-V127 PolarHBondContact O-N 2.89Å; G125-F128 PolarHBondContact O-N 3.27Å; G125-S129 WeakPolarHBondContact O-CB 3.47Å; G125-S129 PolarHBondContact O-N 2.94Å; G125-S129 PolarHBondContact O-OG 2.82Å; G125-S129 VanDerWaalsContact O-OG 3.13Å; G125-E309 VanDerWaalsContact CA-OE1 3.27Å; G125-E309 WeakPolarHBondContact CA-OE1 3.21Å
126L92.6Very high85.7Confident14 Ų1438.3 Ų38.37%0.07320%0.196CC..THydrogen-bonded Turntrans-50.5-27-176.8-87.6175.4000115.2H134 H137 R138 I141 E309 T312 F313 I451L126-H134 PolarHBondContact O-CD2 2.95Å; L126-H137 HydrophobicContact CD2-CB 3.98Å; L126-H137 HydrophobicContact CG-CB 4.16Å; L126-R138 HydrophobicContact CD2-CB 3.81Å; L126-R138 HydrophobicContact CD2-CG 4.47Å; L126-I141 HydrophobicContact CD1-CD1 3.66Å; L126-I141 HydrophobicContact CG-CD1 4.23Å; L126-E309 PolarHBondContact N-OE1 2.81Å; L126-E309 PolarHBondContact N-OE2 3.1Å; L126-T312 HydrophobicContact CB-CG2 4.39Å; L126-F313 HydrophobicContact CD1-CZ 3.89Å; L126-I451 HydrophobicContact CD1-CD1 4.13Å; L126-I451 HydrophobicContact CD1-CG2 4.32Å
127V89.5Confident87Confident24 Ų2437.2 Ų37.215%0.14519%0.187CC..THydrogen-bonded Turntrans-68.6-36.1180175.50000111.7K108 I121 G125 T312K108-V127 WeakPolarHBondContact CD-O 3.49Å; K108-V127 WeakPolarHBondContact CE-O 3.24Å; K108-V127 PolarHBondContact NZ-O 3.22Å; I121-V127 HydrophobicContact CG2-CB 4.48Å; G125-V127 PolarHBondContact O-N 2.89Å; V127-T312 HydrophobicContact CB-CG2 4.35Å; V127-T312 HydrophobicContact CG2-CG2 3.48Å; V127-T312 VanDerWaalsContact CG2-CG2 3.48Å
128F88.6Confident88.4Confident19 Ų1938.2 Ų38.28%0.08319%0.187CC..THydrogen-bonded Turntrans-120.6-16.6-173.3-67.2-63.8000115.1K108 T110 V118 I121 G122 G125 N130 F487K108-F128 HydrophobicContact CD-CD1 4.29Å; K108-F128 HydrophobicContact CD-CE1 4.35Å; T110-F128 HydrophobicContact CG2-CD1 3.88Å; T110-F128 HydrophobicContact CG2-CE1 3.89Å; V118-F128 HydrophobicContact CB-CZ 4.34Å; V118-F128 HydrophobicContact CG1-CD1 4.46Å; V118-F128 HydrophobicContact CG1-CD2 4.43Å; V118-F128 HydrophobicContact CG1-CE1 3.45Å; V118-F128 VanDerWaalsContact CG1-CE1 3.45Å; V118-F128 HydrophobicContact CG1-CE2 3.4Å; V118-F128 VanDerWaalsContact CG1-CE2 3.4Å; V118-F128 HydrophobicContact CG1-CZ 2.85Å; I121-F128 HydrophobicContact CB-CD2 4.48Å; I121-F128 HydrophobicContact CB-CE2 4.06Å; I121-F128 HydrophobicContact CD1-CE2 4.12Å; I121-F128 HydrophobicContact CG2-CE2 4.32Å; G122-F128 WeakPolarHBondContact O-CD2 3.14Å; G125-F128 PolarHBondContact O-N 3.27Å; F128-N130 PolarHBondContact O-ND2 2.9Å; F128-N130 VanDerWaalsContact O-ND2 3.15Å; F128-F487 HydrophobicContact CZ-CE2 4.25Å
129S92.1Very high89.2Confident4 Ų441.5 Ų41.53%0.02820%0.201CC..  trans-61.7150.717461.20000111.5N123 E124 G125 H134 R448N123-S129 PolarHBondContact O-N 3.05Å; E124-S129 WeakPolarHBondContact O-CB 3.3Å; G125-S129 WeakPolarHBondContact O-CB 3.47Å; G125-S129 PolarHBondContact O-N 2.94Å; G125-S129 PolarHBondContact O-OG 2.82Å; G125-S129 VanDerWaalsContact O-OG 3.13Å; S129-H134 WeakPolarHBondContact OG-CA 3.42Å; S129-H134 WeakPolarHBondContact OG-CB 3.43Å; S129-R448 PolarHBondContact O-NH1 2.85Å
130N93.2Very high90Very high30 Ų3037.9 Ų37.916%0.1619%0.186CC..  trans-133.6169.1179.5-67.2-71000110.4W107 K108 F128 H134 R448W107-N130 WeakPolarHBondContact CA-OD1 3.47Å; W107-N130 HydrophobicContact CB-CB 4.3Å; W107-N130 WeakPolarHBondContact CB-OD1 3.48Å; W107-N130 HydrophobicContact CD2-CB 3.41Å; W107-N130 VanDerWaalsContact CD2-CB 3.41Å; W107-N130 HydrophobicContact CE3-CB 3.59Å; W107-N130 HydrophobicContact CG-CB 3.76Å; W107-N130 HydrophobicContact CH2-CB 4.42Å; W107-N130 HydrophobicContact CZ2-CB 4.28Å; W107-N130 HydrophobicContact CZ3-CB 4.1Å; K108-N130 PolarHBondContact N-OD1 2.94Å; K108-N130 PolarHBondContact O-ND2 2.85Å; F128-N130 PolarHBondContact O-ND2 2.9Å; F128-N130 VanDerWaalsContact O-ND2 3.15Å; N130-H134 PolarHBondContact O-N 3.26Å; N130-R448 PolarHBondContact OD1-NH1 3Å
131G92.7Very high90.4Very high25 Ų2536.5 Ų36.526%0.25818%0.18SC..Hα-helixtrans59.2-138.8174.400000113.6L133 H134 K135G131-L133 VanDerWaalsContact C-N 3.35Å; G131-L133 PolarHBondContact O-N 3.12Å; G131-H134 PolarHBondContact O-N 3.43Å; G131-K135 PolarHBondContact O-N 2.87Å; G131-K135 VanDerWaalsContact O-N 3.16Å
132E92.4Very high90.7Very high123 Ų12339.9 Ų39.958%0.57520%0.198SC*.Hα-helixtrans-67.2-34.5-175.2-160.758.8-147.400112.5H134 K135 R136E132-H134 PolarHBondContact O-N 3.2Å; E132-K135 PolarHBondContact O-N 3.13Å; E132-K135 IonicContact OE1-NZ 2.76Å; E132-K135 PolarHBondContact OE1-NZ 3.31Å; E132-K135 IonicContact OE2-NZ 2.87Å; E132-K135 PolarHBondContact OE2-NZ 3.13Å; E132-R136 WeakPolarHBondContact O-CB 3.3Å; E132-R136 PolarHBondContact O-N 3.16Å
133L92.3Very high90.8Very high53 Ų5342 Ų4228%0.27721%0.211SC..Hα-helixtrans-58.2-50.9176.4-177.165.4000111.3E124 G131 K135 R136 H137E124-L133 HydrophobicContact CB-CD2 4.28Å; G131-L133 VanDerWaalsContact C-N 3.35Å; G131-L133 PolarHBondContact O-N 3.12Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 3.33Å; L133-R136 PolarHBondContact O-N 2.92Å; L133-H137 VanDerWaalsContact CD1-NE2 3.28Å; L133-H137 WeakPolarHBondContact CD1-NE2 3.41Å; L133-H137 PolarHBondContact O-CD2 3.09Å; L133-H137 VanDerWaalsContact O-CD2 3.3Å; L133-H137 PolarHBondContact O-N 3.13Å
134H94.1Very high90.7Very high11 Ų1137.9 Ų37.95%0.05119%0.189CC..Hα-helixtrans-60.1-43176.4173.1-86.8000111.8L126 S129 N130 G131 E132 R138 R448L126-H134 PolarHBondContact O-CD2 2.95Å; S129-H134 WeakPolarHBondContact OG-CA 3.42Å; S129-H134 WeakPolarHBondContact OG-CB 3.43Å; N130-H134 PolarHBondContact O-N 3.26Å; G131-H134 PolarHBondContact O-N 3.43Å; E132-H134 PolarHBondContact O-N 3.2Å; H134-R138 VanDerWaalsContact O-CB 3.23Å; H134-R138 WeakPolarHBondContact O-CB 3.46Å; H134-R138 PolarHBondContact O-N 3.37Å; H134-R448 WeakPolarHBondContact CE1-CD 3.25Å; H134-R448 WeakPolarHBondContact NE2-CD 3.26Å
135K93.1Very high90.7Very high115 Ų11536 Ų3650%0.518%0.18SC..Hα-helixtrans-62.5-45.4179.6-178.3179.6153.7-130.30111.3G131 E132 L133 R138 K139G131-K135 PolarHBondContact O-N 2.87Å; G131-K135 VanDerWaalsContact O-N 3.16Å; E132-K135 PolarHBondContact O-N 3.13Å; E132-K135 IonicContact OE1-NZ 2.76Å; E132-K135 PolarHBondContact OE1-NZ 3.31Å; E132-K135 IonicContact OE2-NZ 2.87Å; E132-K135 PolarHBondContact OE2-NZ 3.13Å; L133-K135 VanDerWaalsContact C-N 3.32Å; L133-K135 PolarHBondContact O-N 3.33Å; K135-R138 PolarHBondContact O-N 3.42Å; K135-K139 WeakPolarHBondContact O-CB 3.4Å; K135-K139 PolarHBondContact O-N 3.14Å
136R92.8Very high90.6Very high45 Ų4543.6 Ų43.617%0.1721%0.209CC..Hα-helixtrans-59.2-53.1176.2-170.1-176.366.2170.30.3111.1E132 L133 R138 K139 L140 D294 E299 E305E132-R136 WeakPolarHBondContact O-CB 3.3Å; E132-R136 PolarHBondContact O-N 3.16Å; L133-R136 PolarHBondContact O-N 2.92Å; R136-R138 VanDerWaalsContact C-N 3.33Å; R136-R138 PolarHBondContact O-N 2.95Å; R136-K139 WeakPolarHBondContact O-CB 3.37Å; R136-K139 PolarHBondContact O-N 2.94Å; R136-L140 HydrophobicContact CG-CD1 4.3Å; R136-L140 WeakPolarHBondContact O-CG 3.49Å; R136-L140 PolarHBondContact O-N 3.05Å; R136-D294 WeakPolarHBondContact CG-OD2 3.34Å; R136-E299 IonicContact NH1-OE2 3.89Å; R136-E299 PolarHBondContact NH1-OE2 3.3Å; R136-E305 IonicContact CZ-OE1 3.44Å; R136-E305 IonicContact NH2-OE1 3.6Å; R136-E305 PolarHBondContact NH2-OE1 2.71Å; R136-E305 IonicContact NH2-OE2 2.88Å; R136-E305 PolarHBondContact NH2-OE2 3.12Å; R136-E305 VanDerWaalsContact NH2-OE2 3.14Å
137H93.4Very high90.4Very high0 Ų046.5 Ų46.50%022%0.223CC..Hα-helixtrans-61-43.8-179.5-72.6-154.5000111.4E124 L126 L133 K139 L140 I141 E305 E309E124-H137 PolarHBondContact O-CE1 3.23Å; E124-H137 PolarHBondContact O-ND1 3.47Å; L126-H137 HydrophobicContact CD2-CB 3.98Å; L126-H137 HydrophobicContact CG-CB 4.16Å; L133-H137 VanDerWaalsContact CD1-NE2 3.28Å; L133-H137 WeakPolarHBondContact CD1-NE2 3.41Å; L133-H137 PolarHBondContact O-CD2 3.09Å; L133-H137 VanDerWaalsContact O-CD2 3.3Å; L133-H137 PolarHBondContact O-N 3.13Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact O-N 3.46Å; H137-L140 PolarHBondContact O-N 2.87Å; H137-I141 HydrophobicContact CB-CD1 4.42Å; H137-I141 WeakPolarHBondContact O-CB 2.9Å; H137-I141 WeakPolarHBondContact O-CD1 3.43Å; H137-I141 WeakPolarHBondContact O-CG1 3.3Å; H137-I141 PolarHBondContact O-N 2.76Å; H137-E305 IonicContact NE2-OE2 3.08Å; H137-E309 IonicContact CE1-OE1 2.64Å; H137-E309 IonicContact CG-OE1 3.8Å; H137-E309 IonicContact ND1-OE1 3.14Å; H137-E309 PolarHBondContact ND1-OE1 3.24Å
138R92.8Very high90.4Very high47 Ų4748.8 Ų48.818%0.17724%0.241CC..Hα-helixtrans-62.6-41.2178.5-166.6175.7-176.7101.61.3111.6L126 H134 K135 R136 I141 N142 P447 K449 I451L126-R138 HydrophobicContact CD2-CB 3.81Å; L126-R138 HydrophobicContact CD2-CG 4.47Å; H134-R138 VanDerWaalsContact O-CB 3.23Å; H134-R138 WeakPolarHBondContact O-CB 3.46Å; H134-R138 PolarHBondContact O-N 3.37Å; K135-R138 PolarHBondContact O-N 3.42Å; R136-R138 VanDerWaalsContact C-N 3.33Å; R136-R138 PolarHBondContact O-N 2.95Å; R138-I141 PolarHBondContact O-N 3.44Å; R138-N142 VanDerWaalsContact O-CB 3.24Å; R138-N142 WeakPolarHBondContact O-CB 3.49Å; R138-N142 PolarHBondContact O-N 2.88Å; R138-N142 PolarHBondContact O-ND2 3.14Å; R138-N142 PolarHBondContact O-OD1 2.83Å; R138-P447 WeakPolarHBondContact CD-O 3.43Å; R138-P447 PolarHBondContact NE-O 3.47Å; R138-P447 PolarHBondContact NH1-O 3.49Å; R138-K449 VanDerWaalsContact CZ-O 3.22Å; R138-K449 PolarHBondContact NH1-O 3.07Å; R138-K449 PolarHBondContact NH2-O 3.05Å; R138-I451 HydrophobicContact CG-CD1 4.28Å
139K90.7Very high90.3Very high74 Ų7449 Ų4932%0.32224%0.242SC..Hα-helixtrans-60.2-46.7175.8-173.9-172.4-180-1650111K135 R136 H137 I141 P143 D294 D296K135-K139 WeakPolarHBondContact O-CB 3.4Å; K135-K139 PolarHBondContact O-N 3.14Å; R136-K139 WeakPolarHBondContact O-CB 3.37Å; R136-K139 PolarHBondContact O-N 2.94Å; H137-K139 VanDerWaalsContact C-N 3.33Å; H137-K139 PolarHBondContact O-N 3.46Å; K139-I141 PolarHBondContact O-N 3.4Å; K139-P143 WeakPolarHBondContact O-CD 3.33Å; K139-D294 IonicContact NZ-OD1 3.69Å; K139-D296 IonicContact NZ-OD1 2.93Å; K139-D296 PolarHBondContact NZ-OD1 2.88Å; K139-D296 IonicContact NZ-OD2 2.81Å; K139-D296 PolarHBondContact NZ-OD2 3.15Å
140L88.7Confident90.2Very high18 Ų1848.8 Ų48.89%0.09424%0.241CC..Hα-helixtrans-62.7-40179.1-69.8171.8000112.9R136 H137 P143 A292 R293 D294 L301R136-L140 HydrophobicContact CG-CD1 4.3Å; R136-L140 WeakPolarHBondContact O-CG 3.49Å; R136-L140 PolarHBondContact O-N 3.05Å; H137-L140 PolarHBondContact O-N 2.87Å; L140-P143 WeakPolarHBondContact O-CD 3.38Å; L140-A292 HydrophobicContact CB-CB 4.42Å; L140-A292 HydrophobicContact CD2-CB 4.17Å; L140-R293 WeakPolarHBondContact CD2-O 3.22Å; L140-D294 HydrophobicContact CD2-CB 4.23Å; L140-L301 HydrophobicContact CD1-CD2 3.91Å; L140-L301 HydrophobicContact CD1-CG 4.21Å
141I89.8Confident90.2Very high2 Ų251.5 Ų51.51%0.0125%0.251CS..Hα-helixtrans-92.4-26.9-170.5-61.4159.2000113.1L126 H137 R138 K139 P143 V144 F145 L285 M289 E309 F313 I451L126-I141 HydrophobicContact CD1-CD1 3.66Å; L126-I141 HydrophobicContact CG-CD1 4.23Å; H137-I141 HydrophobicContact CB-CD1 4.42Å; H137-I141 WeakPolarHBondContact O-CB 2.9Å; H137-I141 WeakPolarHBondContact O-CD1 3.43Å; H137-I141 WeakPolarHBondContact O-CG1 3.3Å; H137-I141 PolarHBondContact O-N 2.76Å; R138-I141 PolarHBondContact O-N 3.44Å; K139-I141 PolarHBondContact O-N 3.4Å; I141-P143 VanDerWaalsContact C-N 3.3Å; I141-P143 VanDerWaalsContact O-N 3.11Å; I141-V144 VanDerWaalsContact O-CB 3.32Å; I141-V144 WeakPolarHBondContact O-CB 3.34Å; I141-V144 WeakPolarHBondContact O-CG2 3.3Å; I141-V144 PolarHBondContact O-N 2.87Å; I141-F145 HydrophobicContact CG2-CD2 4.19Å; I141-F145 HydrophobicContact CG2-CE2 3.77Å; I141-L285 HydrophobicContact CG2-CD1 3.83Å; I141-M289 HydrophobicContact CD1-SD 4.27Å; I141-M289 HydrophobicContact CG1-CG 4.19Å; I141-M289 HydrophobicContact CG1-SD 4.29Å; I141-E309 HydrophobicContact CD1-CG 4.05Å; I141-F313 HydrophobicContact CD1-CE2 3.89Å; I141-F313 HydrophobicContact CD1-CZ 4.09Å; I141-F313 HydrophobicContact CG2-CE2 4.03Å; I141-F313 HydrophobicContact CG2-CZ 3.6Å; I141-I451 HydrophobicContact CB-CD1 4.21Å; I141-I451 HydrophobicContact CG2-CD1 4Å
142N89.2Confident90Very high72 Ų7256.4 Ų56.439%0.38527%0.266SS..G310 helixtrans-46.5-41.5179.8-90.6-15.9000115.2R138 V144 F145 I451R138-N142 VanDerWaalsContact O-CB 3.24Å; R138-N142 WeakPolarHBondContact O-CB 3.49Å; R138-N142 PolarHBondContact O-N 2.88Å; R138-N142 PolarHBondContact O-ND2 3.14Å; R138-N142 PolarHBondContact O-OD1 2.83Å; N142-V144 PolarHBondContact O-N 3.01Å; N142-V144 VanDerWaalsContact O-N 3.14Å; N142-F145 PolarHBondContact O-N 3.33Å; N142-I451 VanDerWaalsContact OD1-CD1 3.22Å; N142-I451 WeakPolarHBondContact OD1-CD1 3.36Å; N142-I451 WeakPolarHBondContact OD1-CG1 3.27Å
143P85.4Confident89.9Confident50 Ų5051 Ų5133%0.32524%0.24SC..G310 helixtrans-57.5-27178.8-26.536.3000114.2K139 L140 I141 F145 R146 N149K139-P143 WeakPolarHBondContact O-CD 3.33Å; L140-P143 WeakPolarHBondContact O-CD 3.38Å; I141-P143 VanDerWaalsContact C-N 3.3Å; I141-P143 VanDerWaalsContact O-N 3.11Å; P143-F145 VanDerWaalsContact C-N 3.33Å; P143-F145 PolarHBondContact O-N 3.08Å; P143-R146 WeakPolarHBondContact O-CB 3.49Å; P143-R146 WeakPolarHBondContact O-CD 3.3Å; P143-R146 VanDerWaalsContact O-CG 3.3Å; P143-R146 WeakPolarHBondContact O-CG 3.48Å; P143-R146 PolarHBondContact O-N 3.45Å; P143-N149 PolarHBondContact O-ND2 3.16Å
144V82.2Confident90Very high6 Ų648.7 Ų48.74%0.03623%0.228CC..G310 helixtrans-66.6-36.2-179.6-177.10000111.7I141 N142 R146 N149 L285 M288I141-V144 VanDerWaalsContact O-CB 3.32Å; I141-V144 WeakPolarHBondContact O-CB 3.34Å; I141-V144 WeakPolarHBondContact O-CG2 3.3Å; I141-V144 PolarHBondContact O-N 2.87Å; N142-V144 PolarHBondContact O-N 3.01Å; N142-V144 VanDerWaalsContact O-N 3.14Å; V144-R146 VanDerWaalsContact C-N 3.27Å; V144-R146 PolarHBondContact O-N 2.68Å; V144-N149 VanDerWaalsContact O-CB 3.24Å; V144-N149 WeakPolarHBondContact O-CB 3.49Å; V144-N149 PolarHBondContact O-ND2 3.32Å; V144-L285 HydrophobicContact CB-CD1 3.82Å; V144-L285 HydrophobicContact CG1-CB 3.9Å; V144-L285 HydrophobicContact CG1-CD1 3.56Å; V144-L285 HydrophobicContact CG1-CG 4.25Å; V144-L285 HydrophobicContact CG2-CD1 3.73Å; V144-M288 HydrophobicContact CB-CE 4.4Å; V144-M288 HydrophobicContact CB-SD 4.15Å; V144-M288 HydrophobicContact CG1-CE 3.57Å; V144-M288 HydrophobicContact CG1-SD 3.97Å; V144-M288 HydrophobicContact CG2-CB 3.69Å; V144-M288 HydrophobicContact CG2-CE 4.36Å; V144-M288 HydrophobicContact CG2-CG 4.28Å; V144-M288 HydrophobicContact CG2-SD 3.68Å
145F87.7Confident90Very high25 Ų2552 Ų5211%0.1125%0.25CS..G310 helixtrans-88.117.3-177.5-66.4-78.1000113.9I141 N142 P143 L285 F313 I451 F455I141-F145 HydrophobicContact CG2-CD2 4.19Å; I141-F145 HydrophobicContact CG2-CE2 3.77Å; N142-F145 PolarHBondContact O-N 3.33Å; P143-F145 VanDerWaalsContact C-N 3.33Å; P143-F145 PolarHBondContact O-N 3.08Å; F145-L285 HydrophobicContact CZ-CD2 4.17Å; F145-F313 HydrophobicContact CE2-CD1 4.5Å; F145-F313 AromaticContact CE2-CE1 3.68Å; F145-F313 HydrophobicContact CE2-CE1 3.68Å; F145-F313 HydrophobicContact CE2-CZ 4.07Å; F145-F313 AromaticContact CZ-CD1 3.99Å; F145-F313 HydrophobicContact CZ-CD1 3.99Å; F145-F313 AromaticContact CZ-CE1 3.58Å; F145-F313 HydrophobicContact CZ-CE1 3.58Å; F145-F313 HydrophobicContact CZ-CZ 4.36Å; F145-I451 HydrophobicContact CD2-CD1 3.89Å; F145-I451 HydrophobicContact CD2-CG1 3.64Å; F145-I451 HydrophobicContact CD2-CG2 4.36Å; F145-I451 HydrophobicContact CE2-CD1 4.11Å; F145-I451 HydrophobicContact CE2-CG1 4.04Å; F145-I451 HydrophobicContact CE2-CG2 3.93Å; F145-I451 HydrophobicContact CG-CG1 4.34Å; F145-I451 HydrophobicContact CZ-CG2 4.37Å; F145-F455 HydrophobicContact CD1-CB 4.1Å; F145-F455 HydrophobicContact CE1-CB 4.11Å
146R88.2Confident90Very high159 Ų15948.4 Ų48.460%0.624%0.236SC*.SBendtrans-69.8148.2172-70.8176.8179.8175.91.9110.9P143 V144 S148 N149 L150P143-R146 WeakPolarHBondContact O-CB 3.49Å; P143-R146 WeakPolarHBondContact O-CD 3.3Å; P143-R146 VanDerWaalsContact O-CG 3.3Å; P143-R146 WeakPolarHBondContact O-CG 3.48Å; P143-R146 PolarHBondContact O-N 3.45Å; V144-R146 VanDerWaalsContact C-N 3.27Å; V144-R146 PolarHBondContact O-N 2.68Å; R146-S148 PolarHBondContact O-N 2.9Å; R146-S148 VanDerWaalsContact O-N 3.16Å; R146-N149 PolarHBondContact O-N 3.15Å; R146-L150 PolarHBondContact O-N 3.28Å; R146-L150 VanDerWaalsContact O-N 3.13Å
147I90Very high90.2Very high74 Ų7446.3 Ų46.338%0.37923%0.228SC..Hα-helixtrans-53.2-41.2-178.1-64.7171.7000111.6N149 L150 K151 F357I147-N149 PolarHBondContact O-N 3.47Å; I147-N149 VanDerWaalsContact O-N 3.16Å; I147-L150 PolarHBondContact O-N 3.31Å; I147-K151 HydrophobicContact CG2-CG 4.45Å; I147-K151 WeakPolarHBondContact O-CG 3.4Å; I147-K151 PolarHBondContact O-N 3.43Å; I147-F357 HydrophobicContact CG2-CD1 4.42Å; I147-F357 HydrophobicContact CG2-CE1 3.87Å; I147-F357 HydrophobicContact CG2-CE2 4.41Å; I147-F357 HydrophobicContact CG2-CZ 3.88Å
148S89.5Confident90.3Very high73 Ų7347 Ų4751%0.5123%0.232SC..Hα-helixtrans-57.9-29.4178.156.70000114.2R146R146-S148 PolarHBondContact O-N 2.9Å; R146-S148 VanDerWaalsContact O-N 3.16Å
149N86.4Confident90.4Very high22 Ų2247.7 Ų47.712%0.11824%0.239CC..Hα-helixtrans-85.8-36.5174-71.7-26.9000111.6P143 V144 R146 I147 K151 K152 F153P143-N149 PolarHBondContact O-ND2 3.16Å; V144-N149 VanDerWaalsContact O-CB 3.24Å; V144-N149 WeakPolarHBondContact O-CB 3.49Å; V144-N149 PolarHBondContact O-ND2 3.32Å; R146-N149 PolarHBondContact O-N 3.15Å; I147-N149 PolarHBondContact O-N 3.47Å; I147-N149 VanDerWaalsContact O-N 3.16Å; N149-K151 VanDerWaalsContact C-N 3.27Å; N149-K151 PolarHBondContact O-N 2.72Å; N149-K152 VanDerWaalsContact O-CB 3.31Å; N149-K152 WeakPolarHBondContact O-CB 3.48Å; N149-K152 PolarHBondContact O-N 3.08Å; N149-K152 PolarHBondContact OD1-NZ 2.91Å; N149-K152 VanDerWaalsContact OD1-NZ 3.13Å; N149-F153 HydrophobicContact CB-CE2 4.48Å; N149-F153 WeakPolarHBondContact O-CD2 3.21Å; N149-F153 PolarHBondContact O-N 3.01Å
150L89.7Confident90.7Very high1 Ų144.1 Ų44.11%0.00522%0.223CC..Hα-helixtrans-58.3-39.5175.5-60.3-179.9000112.2R146 I147 K152 F153 L154 K454 F455 L458R146-L150 PolarHBondContact O-N 3.28Å; R146-L150 VanDerWaalsContact O-N 3.13Å; I147-L150 PolarHBondContact O-N 3.31Å; L150-K152 PolarHBondContact O-N 2.86Å; L150-K152 VanDerWaalsContact O-N 3.17Å; L150-F153 HydrophobicContact CD2-CD2 4.21Å; L150-F153 PolarHBondContact O-N 2.99Å; L150-L154 PolarHBondContact O-N 3.45Å; L150-K454 HydrophobicContact CD1-CB 3.46Å; L150-K454 VanDerWaalsContact CD1-CB 3.46Å; L150-K454 HydrophobicContact CD1-CD 4.34Å; L150-F455 HydrophobicContact CD2-CB 3.85Å; L150-F455 HydrophobicContact CD2-CD2 3.92Å; L150-F455 HydrophobicContact CD2-CG 4.35Å; L150-L458 HydrophobicContact CB-CD2 3.99Å
151K92.2Very high91.1Very high87 Ų8743.3 Ų43.338%0.37822%0.219SC..Hα-helixtrans-55.2-32.2173.4-68.2-165.8175.4-156.90113.2I147 N149 F153 F357 E358I147-K151 HydrophobicContact CG2-CG 4.45Å; I147-K151 WeakPolarHBondContact O-CG 3.4Å; I147-K151 PolarHBondContact O-N 3.43Å; N149-K151 VanDerWaalsContact C-N 3.27Å; N149-K151 PolarHBondContact O-N 2.72Å; K151-F153 VanDerWaalsContact C-N 3.32Å; K151-F357 HydrophobicContact CD-CB 4.23Å; K151-F357 HydrophobicContact CG-CB 3.75Å; K151-F357 HydrophobicContact CG-CD1 4.44Å; K151-F357 HydrophobicContact CG-CD2 4.16Å; K151-F357 HydrophobicContact CG-CG 3.86Å; K151-E358 WeakPolarHBondContact CE-OE1 3.38Å; K151-E358 VanDerWaalsContact NZ-CD 3.32Å; K151-E358 IonicContact NZ-OE1 3.82Å; K151-E358 PolarHBondContact NZ-OE1 3.15Å; K151-E358 IonicContact NZ-OE2 3.78Å; K151-E358 PolarHBondContact NZ-OE2 3.47Å
152K89.1Confident91.4Very high128 Ų12846.8 Ų46.856%0.55723%0.234SC*.Hα-helixtrans-76.5-20.6178.8-56.4173.2-174.6165.50112.7N149 L150N149-K152 VanDerWaalsContact O-CB 3.31Å; N149-K152 WeakPolarHBondContact O-CB 3.48Å; N149-K152 PolarHBondContact O-N 3.08Å; N149-K152 PolarHBondContact OD1-NZ 2.91Å; N149-K152 VanDerWaalsContact OD1-NZ 3.13Å; L150-K152 PolarHBondContact O-N 2.86Å; L150-K152 VanDerWaalsContact O-N 3.17Å
153F90.4Very high91.8Very high9 Ų946.7 Ų46.74%0.03923%0.23CC..Hα-helixtrans-89.4-20.7179.5-56.8-39.7000112.9N149 L150 K151 I156 F157 A200 M288 F455N149-F153 HydrophobicContact CB-CE2 4.48Å; N149-F153 WeakPolarHBondContact O-CD2 3.21Å; N149-F153 PolarHBondContact O-N 3.01Å; L150-F153 HydrophobicContact CD2-CD2 4.21Å; L150-F153 PolarHBondContact O-N 2.99Å; K151-F153 VanDerWaalsContact C-N 3.32Å; F153-I156 HydrophobicContact CD1-CD1 4.42Å; F153-I156 WeakPolarHBondContact O-CA 3.46Å; F153-I156 VanDerWaalsContact O-CB 3.3Å; F153-I156 WeakPolarHBondContact O-CB 3.47Å; F153-I156 PolarHBondContact O-N 2.89Å; F153-F157 HydrophobicContact CB-CE1 3.8Å; F153-F157 HydrophobicContact CB-CE2 4.36Å; F153-F157 HydrophobicContact CB-CZ 3.7Å; F153-F157 WeakPolarHBondContact O-CD1 3.19Å; F153-F157 PolarHBondContact O-N 2.93Å; F153-F157 VanDerWaalsContact O-N 3.14Å; F153-A200 HydrophobicContact CB-CB 4.2Å; F153-A200 HydrophobicContact CD1-CB 3.83Å; F153-A200 HydrophobicContact CE1-CB 4.39Å; F153-A200 WeakPolarHBondContact CE1-O 3.41Å; F153-A200 HydrophobicContact CG-CB 4.02Å; F153-M288 HydrophobicContact CZ-CE 4.46Å; F153-F455 HydrophobicContact CB-CE2 4.37Å; F153-F455 AromaticContact CD2-CD2 3.83Å; F153-F455 HydrophobicContact CD2-CD2 3.83Å; F153-F455 AromaticContact CD2-CE2 3.65Å; F153-F455 HydrophobicContact CD2-CE2 3.65Å; F153-F455 HydrophobicContact CE2-CD2 4.29Å; F153-F455 HydrophobicContact CE2-CE2 4.19Å; F153-F455 HydrophobicContact CG-CE2 4.16Å
154L93.8Very high92.3Very high5 Ų544.4 Ų44.43%0.02622%0.215CC..Hα-helixtrans-51.8-46179.8179.765.6000113.5L150 I156 F157 E158 I355 F357 I360 L458 T462L150-L154 PolarHBondContact O-N 3.45Å; L154-I156 PolarHBondContact O-N 3.49Å; L154-F157 WeakPolarHBondContact O-CB 3.45Å; L154-F157 PolarHBondContact O-N 2.87Å; L154-E158 PolarHBondContact O-N 2.77Å; L154-I355 WeakPolarHBondContact CD2-O 3.43Å; L154-F357 HydrophobicContact CD2-CB 4.42Å; L154-I360 HydrophobicContact CD1-CG1 4.12Å; L154-L458 HydrophobicContact CD1-CD1 4.29Å; L154-T462 HydrophobicContact CD1-CG2 3.77Å; L154-T462 VanDerWaalsContact CD1-OG1 3.27Å; L154-T462 WeakPolarHBondContact CD1-OG1 3.16Å
155P94Very high93Very high79 Ų7944.7 Ų44.751%0.51322%0.217SC..Hα-helixtrans-61.1-29.4177.1-24.835.7000113.9D159P155-D159 WeakPolarHBondContact O-CB 3.46Å; P155-D159 PolarHBondContact O-N 3.31Å
156I94.6Very high93.4Very high41 Ų4146.9 Ų46.921%0.2123%0.232CC..Hα-helixtrans-70.3-41175.8-61.9173.3000109.9F153 L154 E158 D159 C160 K199 A200F153-I156 HydrophobicContact CD1-CD1 4.42Å; F153-I156 WeakPolarHBondContact O-CA 3.46Å; F153-I156 VanDerWaalsContact O-CB 3.3Å; F153-I156 WeakPolarHBondContact O-CB 3.47Å; F153-I156 PolarHBondContact O-N 2.89Å; L154-I156 PolarHBondContact O-N 3.49Å; I156-E158 VanDerWaalsContact C-N 3.35Å; I156-D159 PolarHBondContact O-N 2.94Å; I156-C160 WeakPolarHBondContact O-CB 3.22Å; I156-C160 PolarHBondContact O-N 3.27Å; I156-C160 PolarHBondContact O-SG 2.88Å; I156-K199 HydrophobicContact CD1-CB 4.4Å; I156-K199 HydrophobicContact CG2-CB 3.52Å; I156-K199 HydrophobicContact CG2-CD 3.98Å; I156-K199 HydrophobicContact CG2-CG 4.44Å; I156-A200 HydrophobicContact CD1-CB 4.07Å; I156-A200 HydrophobicContact CG2-CB 4.32Å
157F95.8Very high93.7Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-63.5-45.9178.1-56.8-11000110.1F153 L154 C160 A161 I196 A200 F455 L458 E459 T462F153-F157 HydrophobicContact CB-CE1 3.8Å; F153-F157 HydrophobicContact CB-CE2 4.36Å; F153-F157 HydrophobicContact CB-CZ 3.7Å; F153-F157 WeakPolarHBondContact O-CD1 3.19Å; F153-F157 PolarHBondContact O-N 2.93Å; F153-F157 VanDerWaalsContact O-N 3.14Å; L154-F157 WeakPolarHBondContact O-CB 3.45Å; L154-F157 PolarHBondContact O-N 2.87Å; F157-C160 PolarHBondContact O-N 3.49Å; F157-A161 VanDerWaalsContact O-CB 3.32Å; F157-A161 WeakPolarHBondContact O-CB 3.24Å; F157-A161 PolarHBondContact O-N 3.45Å; F157-I196 HydrophobicContact CD1-CG1 4.49Å; F157-I196 HydrophobicContact CD1-CG2 3.35Å; F157-I196 HydrophobicContact CE1-CG2 3.4Å; F157-I196 HydrophobicContact CG-CG2 4.45Å; F157-A200 HydrophobicContact CE1-CB 4.14Å; F157-F455 HydrophobicContact CE1-CE1 4.07Å; F157-F455 AromaticContact CE1-CE2 3.85Å; F157-F455 HydrophobicContact CE1-CE2 3.85Å; F157-F455 AromaticContact CE1-CZ 3.49Å; F157-F455 HydrophobicContact CE1-CZ 3.49Å; F157-F455 VanDerWaalsContact CE1-CZ 3.49Å; F157-F455 HydrophobicContact CZ-CD1 4.23Å; F157-F455 AromaticContact CZ-CD2 3.93Å; F157-F455 HydrophobicContact CZ-CD2 3.93Å; F157-F455 AromaticContact CZ-CE1 3.84Å; F157-F455 HydrophobicContact CZ-CE1 3.84Å; F157-F455 AromaticContact CZ-CE2 3.52Å; F157-F455 HydrophobicContact CZ-CE2 3.52Å; F157-F455 HydrophobicContact CZ-CG 4.28Å; F157-F455 AromaticContact CZ-CZ 3.47Å; F157-F455 HydrophobicContact CZ-CZ 3.47Å; F157-F455 VanDerWaalsContact CZ-CZ 3.47Å; F157-L458 HydrophobicContact CD2-CD2 4.36Å; F157-L458 HydrophobicContact CD2-CG 4.1Å; F157-L458 HydrophobicContact CE2-CB 4.14Å; F157-L458 HydrophobicContact CE2-CD2 3.82Å; F157-L458 HydrophobicContact CE2-CG 3.81Å; F157-E459 HydrophobicContact CD2-CB 4.21Å; F157-E459 HydrophobicContact CE2-CB 4.02Å; F157-E459 HydrophobicContact CZ-CB 4.27Å; F157-T462 HydrophobicContact CB-CG2 3.83Å
158E95.5Very high94Very high16 Ų1636.5 Ų36.58%0.07519%0.192CC..Hα-helixtrans-60-49.2175.3-69.5-176-134.100112.7L154 I156 C160 A161 K162 I355 T462 I466L154-E158 PolarHBondContact O-N 2.77Å; I156-E158 VanDerWaalsContact C-N 3.35Å; E158-C160 VanDerWaalsContact C-N 3.29Å; E158-C160 PolarHBondContact O-N 2.99Å; E158-A161 PolarHBondContact O-N 2.88Å; E158-K162 WeakPolarHBondContact O-CB 3.45Å; E158-K162 VanDerWaalsContact O-CG 3.27Å; E158-K162 WeakPolarHBondContact O-CG 3.48Å; E158-K162 PolarHBondContact O-N 3.33Å; E158-K162 IonicContact OE2-NZ 3.19Å; E158-K162 PolarHBondContact OE2-NZ 3.35Å; E158-I355 HydrophobicContact CG-CD1 4.48Å; E158-I355 WeakPolarHBondContact OE1-CB 3.28Å; E158-T462 HydrophobicContact CG-CG2 3.94Å; E158-I466 HydrophobicContact CB-CD1 4.13Å; E158-I466 HydrophobicContact CG-CD1 4.05Å
159D95.6Very high94.2Very high60 Ų6035 Ų3532%0.32118%0.176SC..Hα-helixtrans-55.3-46.2178172.267.2000111.3P155 I156 K163 K199P155-D159 WeakPolarHBondContact O-CB 3.46Å; P155-D159 PolarHBondContact O-N 3.31Å; I156-D159 PolarHBondContact O-N 2.94Å; D159-K163 WeakPolarHBondContact O-CG 3.34Å; D159-K163 PolarHBondContact O-N 2.76Å; D159-K163 VanDerWaalsContact OD1-CE 3.27Å; D159-K163 WeakPolarHBondContact OD1-CE 3.38Å; D159-K163 IonicContact OD1-NZ 2.57Å; D159-K163 PolarHBondContact OD1-NZ 3.25Å; D159-K163 IonicContact OD2-NZ 2.65Å; D159-K163 PolarHBondContact OD2-NZ 3.26Å; D159-K199 IonicContact OD2-NZ 3.97Å; D159-K199 PolarHBondContact OD2-NZ 2.87Å
160C97.1Very high94.5Very high0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-69.9-42-178.7-62.30000111.8I156 F157 E158 K163 L164 T192 I196 K199 I209I156-C160 WeakPolarHBondContact O-CB 3.22Å; I156-C160 PolarHBondContact O-N 3.27Å; I156-C160 PolarHBondContact O-SG 2.88Å; F157-C160 PolarHBondContact O-N 3.49Å; E158-C160 VanDerWaalsContact C-N 3.29Å; E158-C160 PolarHBondContact O-N 2.99Å; C160-K163 PolarHBondContact O-N 2.94Å; C160-L164 PolarHBondContact O-N 3.12Å; C160-T192 HydrophobicContact CB-CG2 4.27Å; C160-I196 HydrophobicContact CB-CD1 3.9Å; C160-I196 HydrophobicContact CB-CG1 3.4Å; C160-I196 VanDerWaalsContact CB-CG1 3.4Å; C160-K199 PolarHBondContact SG-NZ 3.27Å; C160-I209 HydrophobicContact CB-CD1 3.71Å; C160-I209 WeakPolarHBondContact O-CD1 3.35Å
161A96.8Very high94.6Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-63.3-41.8175.900000111.8F157 E158 K163 L164 T165 V463 I466F157-A161 VanDerWaalsContact O-CB 3.32Å; F157-A161 WeakPolarHBondContact O-CB 3.24Å; F157-A161 PolarHBondContact O-N 3.45Å; E158-A161 PolarHBondContact O-N 2.88Å; A161-K163 PolarHBondContact O-N 3.12Å; A161-L164 WeakPolarHBondContact O-CB 3.43Å; A161-L164 PolarHBondContact O-N 2.9Å; A161-T165 WeakPolarHBondContact O-CG2 3.25Å; A161-T165 PolarHBondContact O-N 3.33Å; A161-V463 HydrophobicContact CB-CG2 4.23Å; A161-I466 HydrophobicContact CB-CB 3.98Å; A161-I466 HydrophobicContact CB-CD1 3.58Å; A161-I466 HydrophobicContact CB-CG1 4.38Å; A161-I466 HydrophobicContact CB-CG2 3.85Å
162K96.1Very high94.6Very high76 Ų7638 Ų3833%0.3319%0.193SC..Hα-helixtrans-64-39.1175.6-73172.4-176.8169.90111.8E158 L164 T165 T166 I466E158-K162 WeakPolarHBondContact O-CB 3.45Å; E158-K162 VanDerWaalsContact O-CG 3.27Å; E158-K162 WeakPolarHBondContact O-CG 3.48Å; E158-K162 PolarHBondContact O-N 3.33Å; E158-K162 IonicContact OE2-NZ 3.19Å; E158-K162 PolarHBondContact OE2-NZ 3.35Å; K162-L164 VanDerWaalsContact C-N 3.32Å; K162-L164 PolarHBondContact O-N 3.26Å; K162-T165 WeakPolarHBondContact CA-OG1 3.45Å; K162-T165 PolarHBondContact O-N 3.14Å; K162-T165 PolarHBondContact O-OG1 3.18Å; K162-T166 PolarHBondContact O-N 3.17Å; K162-T166 PolarHBondContact O-OG1 3.45Å; K162-T166 VanDerWaalsContact O-OG1 3.08Å; K162-I466 HydrophobicContact CG-CG2 4.39Å
163K96.9Very high94.7Very high70 Ų7039.2 Ų39.230%0.30420%0.2SC..Hα-helixtrans-61.4-41.2172.4-78.2168.9178.8157.40112.2D159 C160 A161 T166 A167 I209D159-K163 WeakPolarHBondContact O-CG 3.34Å; D159-K163 PolarHBondContact O-N 2.76Å; D159-K163 VanDerWaalsContact OD1-CE 3.27Å; D159-K163 WeakPolarHBondContact OD1-CE 3.38Å; D159-K163 IonicContact OD1-NZ 2.57Å; D159-K163 PolarHBondContact OD1-NZ 3.25Å; D159-K163 IonicContact OD2-NZ 2.65Å; D159-K163 PolarHBondContact OD2-NZ 3.26Å; C160-K163 PolarHBondContact O-N 2.94Å; A161-K163 PolarHBondContact O-N 3.12Å; K163-T166 PolarHBondContact O-N 3.34Å; K163-A167 PolarHBondContact O-N 3.21Å; K163-I209 HydrophobicContact CB-CD1 4.01Å; K163-I209 HydrophobicContact CB-CG2 4.1Å
164L97.2Very high94.5Very high1 Ų146.7 Ų46.71%0.00523%0.232CC..Hα-helixtrans-62.1-45.3173.8177.562.1000111.3C160 A161 K162 T166 A167 W168 D188 L189 T192 I209 L467C160-L164 PolarHBondContact O-N 3.12Å; A161-L164 WeakPolarHBondContact O-CB 3.43Å; A161-L164 PolarHBondContact O-N 2.9Å; K162-L164 VanDerWaalsContact C-N 3.32Å; K162-L164 PolarHBondContact O-N 3.26Å; L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 2.96Å; L164-A167 PolarHBondContact O-N 3.46Å; L164-W168 HydrophobicContact CD1-CD2 4.33Å; L164-W168 HydrophobicContact CD1-CG 4.49Å; L164-W168 HydrophobicContact CD1-CZ2 4.06Å; L164-W168 HydrophobicContact CD2-CH2 4.43Å; L164-W168 HydrophobicContact CD2-CZ2 4.19Å; L164-W168 HydrophobicContact CG-CD2 4.43Å; L164-W168 HydrophobicContact CG-CZ2 4.3Å; L164-W168 PolarHBondContact O-N 3.23Å; L164-D188 HydrophobicContact CD1-CB 3.96Å; L164-L189 HydrophobicContact CD2-CD2 4.14Å; L164-T192 HydrophobicContact CB-CG2 4.48Å; L164-T192 HydrophobicContact CD2-CG2 4.35Å; L164-I209 HydrophobicContact CB-CG2 4.15Å; L164-L467 HydrophobicContact CD2-CD1 4.1Å; L164-L467 HydrophobicContact CD2-CD2 3.97Å; L164-L467 HydrophobicContact CG-CD2 4.23Å
165T96.3Very high94Very high12 Ų1251 Ų517%0.07425%0.252CS..Hα-helixtrans-58.8-43.7176.758.80000111.7A161 K162 A167 W168 F169 I466 L467 Q470 F471A161-T165 WeakPolarHBondContact O-CG2 3.25Å; A161-T165 PolarHBondContact O-N 3.33Å; K162-T165 WeakPolarHBondContact CA-OG1 3.45Å; K162-T165 PolarHBondContact O-N 3.14Å; K162-T165 PolarHBondContact O-OG1 3.18Å; T165-A167 PolarHBondContact O-N 2.95Å; T165-W168 PolarHBondContact O-N 3.45Å; T165-F169 WeakPolarHBondContact O-CD2 3.31Å; T165-F169 PolarHBondContact O-N 3.47Å; T165-I466 HydrophobicContact CG2-CG2 3.63Å; T165-L467 HydrophobicContact CG2-CD2 3.82Å; T165-Q470 HydrophobicContact CG2-CG 4.32Å; T165-F471 HydrophobicContact CG2-CE2 3.84Å
166T96Very high93.3Very high71 Ų7154.4 Ų54.444%0.43626%0.261SS..Hα-helixtrans-61.7-44.8177.5-590000111.4K162 K163 L164 W168 F169 I170K162-T166 PolarHBondContact O-N 3.17Å; K162-T166 PolarHBondContact O-OG1 3.45Å; K162-T166 VanDerWaalsContact O-OG1 3.08Å; K163-T166 PolarHBondContact O-N 3.34Å; L164-T166 VanDerWaalsContact C-N 3.32Å; L164-T166 PolarHBondContact O-N 2.96Å; T166-W168 VanDerWaalsContact C-N 3.27Å; T166-W168 PolarHBondContact O-N 3.5Å; T166-F169 PolarHBondContact O-N 2.74Å; T166-I170 HydrophobicContact CG2-CD1 4.13Å; T166-I170 WeakPolarHBondContact O-CG1 3.24Å; T166-I170 PolarHBondContact O-N 3.29Å
167A95.1Very high92Very high15 Ų1562.4 Ų62.412%0.12430%0.295CS..Hα-helixtrans-61.1-37177.600000112K163 L164 T165 K171K163-A167 PolarHBondContact O-N 3.21Å; L164-A167 PolarHBondContact O-N 3.46Å; T165-A167 PolarHBondContact O-N 2.95Å; A167-K171 WeakPolarHBondContact O-CG 3.36Å; A167-K171 PolarHBondContact O-N 3.16Å
168W95.5Very high90.9Very high0 Ų066.3 Ų66.30%032%0.322CS..Hα-helixtrans-72.6-39.3175.7-74.62.5000113.1L164 T165 T166 I170 K171 L172 M183 I185 D188 L467 F471 F473 V499L164-W168 HydrophobicContact CD1-CD2 4.33Å; L164-W168 HydrophobicContact CD1-CG 4.49Å; L164-W168 HydrophobicContact CD1-CZ2 4.06Å; L164-W168 HydrophobicContact CD2-CH2 4.43Å; L164-W168 HydrophobicContact CD2-CZ2 4.19Å; L164-W168 HydrophobicContact CG-CD2 4.43Å; L164-W168 HydrophobicContact CG-CZ2 4.3Å; L164-W168 PolarHBondContact O-N 3.23Å; T165-W168 PolarHBondContact O-N 3.45Å; T166-W168 VanDerWaalsContact C-N 3.27Å; T166-W168 PolarHBondContact O-N 3.5Å; W168-I170 VanDerWaalsContact C-N 3.33Å; W168-I170 PolarHBondContact O-N 2.8Å; W168-K171 WeakPolarHBondContact O-CB 3.28Å; W168-K171 PolarHBondContact O-N 2.96Å; W168-K171 VanDerWaalsContact O-N 3.12Å; W168-L172 WeakPolarHBondContact O-CG 3.17Å; W168-L172 PolarHBondContact O-N 2.99Å; W168-M183 HydrophobicContact CB-CE 4.42Å; W168-M183 HydrophobicContact CG-CE 4.49Å; W168-M183 HydrophobicContact CG-SD 4.24Å; W168-I185 HydrophobicContact CH2-CD1 3.65Å; W168-I185 HydrophobicContact CZ2-CD1 3.69Å; W168-D188 HydrophobicContact CZ2-CB 4.11Å; W168-D188 PolarHBondContact NE1-OD2 2.92Å; W168-L467 HydrophobicContact CE3-CD2 4.1Å; W168-L467 HydrophobicContact CH2-CD1 4.13Å; W168-L467 HydrophobicContact CH2-CD2 4.27Å; W168-L467 HydrophobicContact CZ3-CD1 4.23Å; W168-L467 HydrophobicContact CZ3-CD2 3.72Å; W168-L467 HydrophobicContact CZ3-CG 4.47Å; W168-F471 HydrophobicContact CB-CE1 4.29Å; W168-F471 HydrophobicContact CB-CE2 4.19Å; W168-F471 HydrophobicContact CB-CZ 3.76Å; W168-F471 AromaticContact CE3-CD2 3.69Å; W168-F471 HydrophobicContact CE3-CD2 3.69Å; W168-F471 AromaticContact CE3-CE2 3.65Å; W168-F471 HydrophobicContact CE3-CE2 3.65Å; W168-F471 HydrophobicContact CE3-CG 4.29Å; W168-F471 HydrophobicContact CE3-CZ 4.27Å; W168-F471 HydrophobicContact CZ3-CD2 4.1Å; W168-F471 HydrophobicContact CZ3-CE2 4.43Å; W168-F473 AromaticContact CH2-CE1 3.77Å; W168-F473 HydrophobicContact CH2-CE1 3.77Å; W168-F473 HydrophobicContact CH2-CZ 4.15Å; W168-F473 AromaticContact CZ3-CE1 3.51Å; W168-F473 HydrophobicContact CZ3-CE1 3.51Å; W168-F473 AromaticContact CZ3-CZ 3.62Å; W168-F473 HydrophobicContact CZ3-CZ 3.62Å; W168-V499 HydrophobicContact CE3-CG1 4.28Å
169F94.3Very high90.4Very high42 Ų4271.5 Ų71.518%0.18435%0.346CS..Hα-helixtrans-57.5-46.3172.4-77.9-55.1000111.8T165 T166 K171 L172 E173 Q470 F471 R501T165-F169 WeakPolarHBondContact O-CD2 3.31Å; T165-F169 PolarHBondContact O-N 3.47Å; T166-F169 PolarHBondContact O-N 2.74Å; F169-K171 PolarHBondContact O-N 3.44Å; F169-L172 PolarHBondContact O-N 2.95Å; F169-L172 VanDerWaalsContact O-N 3.09Å; F169-E173 WeakPolarHBondContact O-CG 3.36Å; F169-E173 PolarHBondContact O-N 3.41Å; F169-Q470 HydrophobicContact CE2-CB 4.45Å; F169-Q470 HydrophobicContact CZ-CB 3.99Å; F169-Q470 HydrophobicContact CZ-CG 4.37Å; F169-F471 AromaticContact CD1-CE1 3.85Å; F169-F471 HydrophobicContact CD1-CE1 3.85Å; F169-F471 HydrophobicContact CD1-CZ 4.15Å; F169-F471 HydrophobicContact CD2-CZ 4.13Å; F169-F471 AromaticContact CE1-CE1 3.6Å; F169-F471 HydrophobicContact CE1-CE1 3.6Å; F169-F471 AromaticContact CE1-CZ 3.97Å; F169-F471 HydrophobicContact CE1-CZ 3.97Å; F169-F471 HydrophobicContact CE2-CE1 4.43Å; F169-F471 AromaticContact CE2-CZ 3.97Å; F169-F471 HydrophobicContact CE2-CZ 3.97Å; F169-F471 HydrophobicContact CG-CE1 4.36Å; F169-F471 HydrophobicContact CG-CZ 4.21Å; F169-F471 AromaticContact CZ-CE1 3.93Å; F169-F471 HydrophobicContact CZ-CE1 3.93Å; F169-F471 AromaticContact CZ-CZ 3.88Å; F169-F471 HydrophobicContact CZ-CZ 3.88Å; F169-R501 HydrophobicContact CE1-CB 4.48Å; F169-R501 HydrophobicContact CE1-CG 4Å
170I92.8Very high90.3Very high90 Ų9070.9 Ų70.946%0.46235%0.345SS..Hα-helixtrans-59.3-35.8177-67.2165.6000111.7T166 W168T166-I170 HydrophobicContact CG2-CD1 4.13Å; T166-I170 WeakPolarHBondContact O-CG1 3.24Å; T166-I170 PolarHBondContact O-N 3.29Å; W168-I170 VanDerWaalsContact C-N 3.33Å; W168-I170 PolarHBondContact O-N 2.8Å
171K91.8Very high90.2Very high64 Ų6471.7 Ų71.728%0.27835%0.35SS..Hα-helixtrans-69.6-45.4175-72.8176-175.1179.20110.9A167 W168 F169 K174 H175 M183 D188A167-K171 WeakPolarHBondContact O-CG 3.36Å; A167-K171 PolarHBondContact O-N 3.16Å; W168-K171 WeakPolarHBondContact O-CB 3.28Å; W168-K171 PolarHBondContact O-N 2.96Å; W168-K171 VanDerWaalsContact O-N 3.12Å; F169-K171 PolarHBondContact O-N 3.44Å; K171-K174 WeakPolarHBondContact O-CB 3.43Å; K171-K174 PolarHBondContact O-N 3.48Å; K171-H175 PolarHBondContact O-CD2 3.45Å; K171-M183 HydrophobicContact CB-CE 3.72Å; K171-M183 HydrophobicContact CB-SD 4.23Å; K171-M183 HydrophobicContact CD-CE 4.19Å; K171-M183 HydrophobicContact CD-SD 3.56Å; K171-M183 VanDerWaalsContact CD-SD 3.56Å; K171-D188 IonicContact NZ-OD1 3.84Å; K171-D188 IonicContact NZ-OD2 2.86Å; K171-D188 PolarHBondContact NZ-OD2 3.4Å
172L92.7Very high90.2Very high20 Ų2075 Ų7511%0.10537%0.368CS..Hα-helixtrans-65.4-37.3-179.5-68.6172.3000112.9W168 F169 K174 H175 V181 M183 F471 V499 R501W168-L172 WeakPolarHBondContact O-CG 3.17Å; W168-L172 PolarHBondContact O-N 2.99Å; F169-L172 PolarHBondContact O-N 2.95Å; F169-L172 VanDerWaalsContact O-N 3.09Å; L172-K174 PolarHBondContact O-N 2.9Å; L172-K174 VanDerWaalsContact O-N 3.13Å; L172-H175 PolarHBondContact O-N 3.29Å; L172-V181 HydrophobicContact CD2-CB 3.82Å; L172-V181 HydrophobicContact CD2-CG2 3.65Å; L172-M183 HydrophobicContact CD2-CE 3.72Å; L172-M183 HydrophobicContact CG-CE 3.77Å; L172-F471 HydrophobicContact CD1-CD1 3.88Å; L172-F471 HydrophobicContact CD1-CE1 3.6Å; L172-V499 VanDerWaalsContact CD2-O 3.31Å; L172-V499 WeakPolarHBondContact CD2-O 3.29Å; L172-R501 HydrophobicContact CD1-CB 4.48Å
173E89.8Confident90.1Very high152 Ų15271.5 Ų71.571%0.7135%0.353SS*.THydrogen-bonded Turntrans-62.2-19.2178.3-76.8178.9170.100113.9F169F169-E173 WeakPolarHBondContact O-CG 3.36Å; F169-E173 PolarHBondContact O-N 3.41Å
174K86.6Confident90Very high166 Ų16670 Ų7072%0.72235%0.35SS*.THydrogen-bonded Turntrans-78.5-10.6174.7-64.2175.6-177-1790113.1K171 L172K171-K174 WeakPolarHBondContact O-CB 3.43Å; K171-K174 PolarHBondContact O-N 3.48Å; L172-K174 PolarHBondContact O-N 2.9Å; L172-K174 VanDerWaalsContact O-N 3.13Å
175H84.6Confident90Very high96 Ų9670 Ų7044%0.44435%0.35SS..SBendtrans-112.3165.8178.8-65.9-90.9000110.2K171 L172 V181K171-H175 PolarHBondContact O-CD2 3.45Å; L172-H175 PolarHBondContact O-N 3.29Å; H175-V181 HydrophobicContact CB-CG2 3.71Å; H175-V181 VanDerWaalsContact CD2-CG2 3.47Å; H175-V181 WeakPolarHBondContact CD2-CG2 3.46Å; H175-V181 VanDerWaalsContact CG-CG2 3.48Å
176E77.4Confident89.8Confident151 Ų15169.9 Ų69.971%0.70635%0.349SS*.  trans-60.7141.1176.1-70.1-171.1169.700110.9S178 E179E176-S178 PolarHBondContact O-N 3.22Å; E176-E179 PolarHBondContact O-N 2.86Å
177K69.1Low89.6Confident209 Ų20968.9 Ų68.991%0.90934%0.341SS*.THydrogen-bonded Turntrans-57-7.6-163.8-88.3-177.1174.8179.60116.7
178S72.1Confident89.7Confident82 Ų8268.3 Ų68.357%0.57334%0.335SS*.THydrogen-bonded Turntrans-129.9-4.5-174.2-53.40000114.4E176E176-S178 PolarHBondContact O-N 3.22Å
179E85.7Confident89.7Confident124 Ų12468.3 Ų68.358%0.57934%0.335SS*.SBendtrans-87.3130.6-180-70.9-159152.200111.7E176 V181E176-E179 PolarHBondContact O-N 2.86Å; E179-V181 PolarHBondContact O-N 3.27Å
180P92.7Very high89.7Confident47 Ų4766.3 Ų66.331%0.30533%0.327SS..PPolyproline II helixtrans-62.5133.6170.2-1930.7000111.8L474 L498 V499 R500P180-L474 HydrophobicContact CB-CD1 4.21Å; P180-L474 HydrophobicContact CG-CD1 4.15Å; P180-L498 HydrophobicContact CB-CB 3.82Å; P180-L498 HydrophobicContact CB-CD1 4.5Å; P180-L498 HydrophobicContact CB-CD2 4.18Å; P180-L498 HydrophobicContact CB-CG 4.38Å; P180-V499 CarbonylContact C-O 3.56Å; P180-V499 WeakPolarHBondContact CA-O 3.34Å; P180-R500 HydrophobicContact CB-CB 4.32Å; P180-R500 HydrophobicContact CG-CB 4.32Å
181V95.4Very high89.8Confident18 Ų1863.1 Ų63.111%0.10931%0.309CS..EExtended strand (participates in β ladder)trans-103.6133.6178.3179.90000109.5L172 H175 E179 M183 L498 V499L172-V181 HydrophobicContact CD2-CB 3.82Å; L172-V181 HydrophobicContact CD2-CG2 3.65Å; H175-V181 HydrophobicContact CB-CG2 3.71Å; H175-V181 VanDerWaalsContact CD2-CG2 3.47Å; H175-V181 WeakPolarHBondContact CD2-CG2 3.46Å; H175-V181 VanDerWaalsContact CG-CG2 3.48Å; E179-V181 PolarHBondContact O-N 3.27Å; V181-M183 HydrophobicContact CB-CE 4.29Å; V181-M183 HydrophobicContact CG1-CE 4.34Å; V181-M183 PolarHBondContact O-N 2.84Å; V181-L498 WeakPolarHBondContact O-CA 3.26Å; V181-V499 PolarHBondContact N-O 3.3Å; V181-V499 PolarHBondContact O-N 2.91Å
182L95.7Very high90Very high70 Ų7060 Ų6037%0.36630%0.295SS..EExtended strand (participates in β ladder)trans-71.9119.7175.4-166.871.7000110.1E496 L498L182-E496 HydrophobicContact CD1-CB 3.99Å; L182-E496 HydrophobicContact CD2-CB 4.43Å; L182-E496 HydrophobicContact CG-CB 4.08Å; L182-L498 HydrophobicContact CB-CD2 4.05Å; L182-L498 HydrophobicContact CD1-CD2 4.1Å; L182-L498 HydrophobicContact CD1-CG 4.21Å
183M95.3Very high90.2Very high2 Ų259.1 Ų59.11%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-119.2141.4-174.4-65.2-103.9-169.700111.3W168 K171 L172 V181 I185 E496 L497 V499W168-M183 HydrophobicContact CB-CE 4.42Å; W168-M183 HydrophobicContact CG-CE 4.49Å; W168-M183 HydrophobicContact CG-SD 4.24Å; K171-M183 HydrophobicContact CB-CE 3.72Å; K171-M183 HydrophobicContact CB-SD 4.23Å; K171-M183 HydrophobicContact CD-CE 4.19Å; K171-M183 HydrophobicContact CD-SD 3.56Å; K171-M183 VanDerWaalsContact CD-SD 3.56Å; L172-M183 HydrophobicContact CD2-CE 3.72Å; L172-M183 HydrophobicContact CG-CE 3.77Å; V181-M183 HydrophobicContact CB-CE 4.29Å; V181-M183 HydrophobicContact CG1-CE 4.34Å; V181-M183 PolarHBondContact O-N 2.84Å; M183-I185 HydrophobicContact CB-CD1 3.93Å; M183-I185 PolarHBondContact O-N 3.35Å; M183-E496 WeakPolarHBondContact O-CA 3.43Å; M183-L497 PolarHBondContact N-O 3.44Å; M183-L497 PolarHBondContact O-N 3.38Å; M183-L497 VanDerWaalsContact O-N 3.12Å; M183-V499 HydrophobicContact CB-CG2 3.91Å; M183-V499 HydrophobicContact CG-CB 3.96Å; M183-V499 HydrophobicContact CG-CG2 3.76Å
184P94Very high90.4Very high39 Ų3951.9 Ų51.925%0.25326%0.257SS..  trans-78.869.417734.8-36.9000111.9K186 N187 D188 L495P184-K186 VanDerWaalsContact C-N 3.33Å; P184-K186 PolarHBondContact O-N 2.89Å; P184-N187 HydrophobicContact CB-CB 4.35Å; P184-N187 PolarHBondContact O-N 2.92Å; P184-D188 PolarHBondContact O-N 2.83Å; P184-D188 VanDerWaalsContact O-N 3.11Å; P184-L495 CarbonylContact C-O 3.51Å
185I96.1Very high90.8Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-49.4-47.6-172.2-61.4-58.7000112.8W168 M183 N187 D188 L189 L329 F473 L495 L497 V499W168-I185 HydrophobicContact CH2-CD1 3.65Å; W168-I185 HydrophobicContact CZ2-CD1 3.69Å; M183-I185 HydrophobicContact CB-CD1 3.93Å; M183-I185 PolarHBondContact O-N 3.35Å; I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 2.79Å; I185-D188 PolarHBondContact O-N 3.15Å; I185-L189 HydrophobicContact CG2-CD1 3.52Å; I185-L189 HydrophobicContact CG2-CG 4.12Å; I185-L189 WeakPolarHBondContact O-CB 3.29Å; I185-L189 WeakPolarHBondContact O-CG 3.49Å; I185-L189 PolarHBondContact O-N 2.88Å; I185-L329 HydrophobicContact CG2-CD1 3.91Å; I185-F473 HydrophobicContact CD1-CE1 4.25Å; I185-L495 HydrophobicContact CB-CD2 4.22Å; I185-L495 HydrophobicContact CB-CG 4.2Å; I185-L495 HydrophobicContact CG2-CD2 3.94Å; I185-L495 HydrophobicContact CG2-CG 4.46Å; I185-L495 PolarHBondContact N-O 3.4Å; I185-L495 VanDerWaalsContact N-O 3.12Å; I185-L497 HydrophobicContact CD1-CB 4.3Å; I185-L497 HydrophobicContact CG1-CB 3.64Å; I185-L497 HydrophobicContact CG1-CD1 3.97Å; I185-L497 HydrophobicContact CG1-CG 3.78Å; I185-L497 HydrophobicContact CG2-CD1 4.45Å; I185-V499 HydrophobicContact CD1-CG2 3.79Å
186K93.4Very high91.4Very high10 Ų1039.5 Ų39.54%0.04320%0.201CC..Hα-helixtrans-62.3-38.8-178.5171169176.3-72.80112.7P184 S190 S220 L323 N494 L495P184-K186 VanDerWaalsContact C-N 3.33Å; P184-K186 PolarHBondContact O-N 2.89Å; K186-S190 VanDerWaalsContact O-CB 3.23Å; K186-S190 WeakPolarHBondContact O-CB 3.25Å; K186-S190 PolarHBondContact O-N 3.11Å; K186-S220 PolarHBondContact NZ-OG 3.29Å; K186-L323 HydrophobicContact CD-CD2 4.07Å; K186-N494 WeakPolarHBondContact CD-OD1 3.38Å; K186-L495 HydrophobicContact CB-CB 3.88Å; K186-L495 PolarHBondContact N-O 3.5Å
187N92.5Very high92.2Very high50 Ų5032.6 Ų32.627%0.26717%0.17SC..Hα-helixtrans-69.3-44179-64.879.7000110.9P184 I185 L189 S190 R191 N494P184-N187 HydrophobicContact CB-CB 4.35Å; P184-N187 PolarHBondContact O-N 2.92Å; I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 2.79Å; N187-L189 PolarHBondContact O-N 2.86Å; N187-S190 PolarHBondContact O-N 3.03Å; N187-R191 WeakPolarHBondContact O-CG 3.32Å; N187-R191 PolarHBondContact O-N 3.36Å; N187-N494 PolarHBondContact OD1-ND2 2.95Å
188D95.3Very high93.4Very high3 Ų322.7 Ų22.72%0.01613%0.126CC..Hα-helixtrans-64-41.6-179.5-72.9-2.2000111.1L164 W168 K171 P184 I185 R191 T192L164-D188 HydrophobicContact CD1-CB 3.96Å; W168-D188 HydrophobicContact CZ2-CB 4.11Å; W168-D188 PolarHBondContact NE1-OD2 2.92Å; K171-D188 IonicContact NZ-OD1 3.84Å; K171-D188 IonicContact NZ-OD2 2.86Å; K171-D188 PolarHBondContact NZ-OD2 3.4Å; P184-D188 PolarHBondContact O-N 2.83Å; P184-D188 VanDerWaalsContact O-N 3.11Å; I185-D188 PolarHBondContact O-N 3.15Å; D188-R191 PolarHBondContact O-N 3.1Å; D188-R191 IonicContact OD1-CZ 2.6Å; D188-R191 IonicContact OD1-NE 3.38Å; D188-R191 IonicContact OD1-NH2 3.25Å; D188-R191 PolarHBondContact OD1-NH2 3.12Å; D188-T192 WeakPolarHBondContact O-CB 3.19Å; D188-T192 PolarHBondContact O-N 2.96Å; D188-T192 PolarHBondContact O-OG1 3.5Å
189L95.9Very high94.4Very high0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-69.8-37.2174.4-65.1173.6000113L164 I185 N187 T192 T193 L325 S326 L329 L467L164-L189 HydrophobicContact CD2-CD2 4.14Å; I185-L189 HydrophobicContact CG2-CD1 3.52Å; I185-L189 HydrophobicContact CG2-CG 4.12Å; I185-L189 WeakPolarHBondContact O-CB 3.29Å; I185-L189 WeakPolarHBondContact O-CG 3.49Å; I185-L189 PolarHBondContact O-N 2.88Å; N187-L189 PolarHBondContact O-N 2.86Å; L189-T192 PolarHBondContact O-N 3.4Å; L189-T193 WeakPolarHBondContact O-CB 3.5Å; L189-T193 WeakPolarHBondContact O-CG2 3.49Å; L189-T193 PolarHBondContact O-N 3.32Å; L189-T193 PolarHBondContact O-OG1 2.82Å; L189-L325 HydrophobicContact CD1-CB 3.66Å; L189-L325 HydrophobicContact CD2-CB 4.09Å; L189-L325 HydrophobicContact CD2-CD1 4.1Å; L189-L325 HydrophobicContact CG-CB 4.33Å; L189-S326 WeakPolarHBondContact CD1-OG 3.46Å; L189-L329 HydrophobicContact CD1-CD1 4.09Å; L189-L329 HydrophobicContact CD2-CD1 4.48Å; L189-L467 HydrophobicContact CD2-CD1 4.2Å
190S94.3Very high94.8Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-60.3-47.9173.8173.80000110.6K186 N187 T192 T193 L194 S216 H318 S322K186-S190 VanDerWaalsContact O-CB 3.23Å; K186-S190 WeakPolarHBondContact O-CB 3.25Å; K186-S190 PolarHBondContact O-N 3.11Å; N187-S190 PolarHBondContact O-N 3.03Å; S190-T192 VanDerWaalsContact C-N 3.31Å; S190-T192 PolarHBondContact O-N 3.29Å; S190-T193 PolarHBondContact O-N 2.92Å; S190-T193 PolarHBondContact O-OG1 3.42Å; S190-T193 VanDerWaalsContact O-OG1 3.14Å; S190-L194 WeakPolarHBondContact O-CB 3.28Å; S190-L194 PolarHBondContact O-N 3.39Å; S190-S216 PolarHBondContact OG-OG 2.97Å; S190-H318 PolarHBondContact O-CD2 2.97Å; S190-H318 PolarHBondContact O-NE2 2.96Å; S190-H318 PolarHBondContact OG-CE1 2.88Å; S190-H318 VanDerWaalsContact OG-CE1 3.27Å; S190-H318 PolarHBondContact OG-NE2 2.82Å; S190-S322 VanDerWaalsContact CA-OG 3.29Å; S190-S322 WeakPolarHBondContact CA-OG 3.32Å; S190-S322 PolarHBondContact N-OG 2.96Å; S190-S322 VanDerWaalsContact N-OG 3.1Å
191R94.8Very high94.7Very high22 Ų2212.4 Ų12.48%0.0837%0.065CC..Hα-helixtrans-60.1-43.5175.9-68.4-175.7-58.1-172.4-13.5111.8N187 D188 L194 E195 C208 R211 D212N187-R191 WeakPolarHBondContact O-CG 3.32Å; N187-R191 PolarHBondContact O-N 3.36Å; D188-R191 PolarHBondContact O-N 3.1Å; D188-R191 IonicContact OD1-CZ 2.6Å; D188-R191 IonicContact OD1-NE 3.38Å; D188-R191 IonicContact OD1-NH2 3.25Å; D188-R191 PolarHBondContact OD1-NH2 3.12Å; R191-L194 PolarHBondContact O-N 2.93Å; R191-E195 PolarHBondContact O-N 3.2Å; R191-C208 HydrophobicContact CB-CB 4.48Å; R191-C208 WeakPolarHBondContact CB-O 3.35Å; R191-C208 WeakPolarHBondContact CD-O 3.29Å; R191-C208 PolarHBondContact O-SG 3.24Å; R191-R211 WeakPolarHBondContact CD-O 3.23Å; R191-R211 PolarHBondContact NH1-O 3.3Å; R191-D212 IonicContact CZ-OD1 3.63Å; R191-D212 IonicContact NH1-OD1 3.45Å; R191-D212 PolarHBondContact NH1-OD1 2.98Å
192T96.5Very high94.5Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-63.7-48.4-179.4-56.20000112.6C160 L164 D188 L189 S190 L194 E195 I196 I209C160-T192 HydrophobicContact CB-CG2 4.27Å; L164-T192 HydrophobicContact CB-CG2 4.48Å; L164-T192 HydrophobicContact CD2-CG2 4.35Å; D188-T192 WeakPolarHBondContact O-CB 3.19Å; D188-T192 PolarHBondContact O-N 2.96Å; D188-T192 PolarHBondContact O-OG1 3.5Å; L189-T192 PolarHBondContact O-N 3.4Å; S190-T192 VanDerWaalsContact C-N 3.31Å; S190-T192 PolarHBondContact O-N 3.29Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L194 PolarHBondContact O-N 3.47Å; T192-E195 WeakPolarHBondContact O-CB 3.36Å; T192-E195 PolarHBondContact O-N 2.93Å; T192-I196 HydrophobicContact CG2-CD1 4.02Å; T192-I196 WeakPolarHBondContact O-CG1 3.38Å; T192-I196 PolarHBondContact O-N 3.07Å; T192-I209 HydrophobicContact CG2-CD1 4.47Å
193T96.3Very high94.2Very high0 Ų010.6 Ų10.60%07%0.066CC..Hα-helixtrans-69.1-31.2179.151.10000112.3L189 S190 I196 I197 H318 T321 S322 L325 E459L189-T193 WeakPolarHBondContact O-CB 3.5Å; L189-T193 WeakPolarHBondContact O-CG2 3.49Å; L189-T193 PolarHBondContact O-N 3.32Å; L189-T193 PolarHBondContact O-OG1 2.82Å; S190-T193 PolarHBondContact O-N 2.92Å; S190-T193 PolarHBondContact O-OG1 3.42Å; S190-T193 VanDerWaalsContact O-OG1 3.14Å; T193-I196 PolarHBondContact O-N 3.37Å; T193-I197 WeakPolarHBondContact O-CG2 3.39Å; T193-I197 PolarHBondContact O-N 3.07Å; T193-H318 PolarHBondContact OG1-CD2 3.08Å; T193-H318 VanDerWaalsContact OG1-CD2 3.31Å; T193-H318 PolarHBondContact OG1-O 2.79Å; T193-T321 HydrophobicContact CG2-CG2 4.13Å; T193-S322 WeakPolarHBondContact OG1-CB 3.34Å; T193-L325 HydrophobicContact CG2-CD1 3.62Å; T193-E459 WeakPolarHBondContact CG2-OE1 3.34Å
194L95Very high93.9Very high0 Ų012.9 Ų12.90%08%0.076CC..Hα-helixtrans-64-43.5171-17661.5000111.3S190 R191 T192 I197 G198 F206 L215 F219 L314 H318S190-L194 WeakPolarHBondContact O-CB 3.28Å; S190-L194 PolarHBondContact O-N 3.39Å; R191-L194 PolarHBondContact O-N 2.93Å; T192-L194 VanDerWaalsContact C-N 3.34Å; T192-L194 PolarHBondContact O-N 3.47Å; L194-I197 HydrophobicContact CD1-CG2 4.46Å; L194-I197 WeakPolarHBondContact O-CG2 3.28Å; L194-G198 PolarHBondContact O-N 3.28Å; L194-F206 HydrophobicContact CD1-CD2 4.32Å; L194-F206 HydrophobicContact CD1-CE2 3.97Å; L194-F206 HydrophobicContact CD1-CZ 4.36Å; L194-F206 HydrophobicContact CG-CD2 3.91Å; L194-F206 HydrophobicContact CG-CE2 4.08Å; L194-F206 HydrophobicContact CG-CG 4.35Å; L194-F206 VanDerWaalsContact O-CD2 3.26Å; L194-F206 WeakPolarHBondContact O-CD2 3.37Å; L194-F206 WeakPolarHBondContact O-CE2 3.04Å; L194-L215 HydrophobicContact CD2-CB 4.34Å; L194-L215 HydrophobicContact CD2-CD2 4.14Å; L194-L215 HydrophobicContact CD2-CG 4.1Å; L194-F219 HydrophobicContact CD1-CD2 4.33Å; L194-F219 HydrophobicContact CD1-CE2 4.19Å; L194-L314 HydrophobicContact CD1-CD1 3.79Å; L194-H318 HydrophobicContact CD1-CB 4.39Å; L194-H318 PolarHBondContact N-CD2 3.22Å; L194-H318 VanDerWaalsContact N-CD2 3.34Å
195E95.6Very high93.7Very high2 Ų214.4 Ų14.41%0.0098%0.082CC..Hα-helixtrans-63-44.8175.8-167.263.6-124.200111.6R191 T192 G198 K199 N205 F206 N207 C208 I209R191-E195 PolarHBondContact O-N 3.2Å; T192-E195 WeakPolarHBondContact O-CB 3.36Å; T192-E195 PolarHBondContact O-N 2.93Å; E195-G198 PolarHBondContact O-N 3.19Å; E195-K199 HydrophobicContact CG-CD 4.28Å; E195-K199 PolarHBondContact O-N 3.31Å; E195-K199 VanDerWaalsContact OE1-CE 3.28Å; E195-K199 WeakPolarHBondContact OE1-CE 3.47Å; E195-N205 WeakPolarHBondContact OE1-CA 3.45Å; E195-N205 PolarHBondContact OE1-OD1 3.22Å; E195-F206 PolarHBondContact OE1-N 3.04Å; E195-F206 PolarHBondContact OE2-N 2.81Å; E195-N207 VanDerWaalsContact OE2-CA 3.25Å; E195-N207 WeakPolarHBondContact OE2-CA 3.12Å; E195-N207 PolarHBondContact OE2-N 3.4Å; E195-C208 PolarHBondContact OE2-N 2.92Å; E195-C208 PolarHBondContact OE2-SG 3.44Å; E195-C208 VanDerWaalsContact OE2-SG 3.33Å; E195-I209 HydrophobicContact CB-CD1 3.9Å; E195-I209 HydrophobicContact CB-CG1 3.77Å; E195-I209 HydrophobicContact CG-CD1 3.78Å; E195-I209 HydrophobicContact CG-CG1 3.92Å
196I96.6Very high93.5Very high0 Ų015.5 Ų15.50%09%0.087CC..Hα-helixtrans-60.3-52.9178.9-73.8169.1000110.6F157 C160 T192 T193 G198 K199 A200 F455 E459 V463F157-I196 HydrophobicContact CD1-CG1 4.49Å; F157-I196 HydrophobicContact CD1-CG2 3.35Å; F157-I196 HydrophobicContact CE1-CG2 3.4Å; F157-I196 HydrophobicContact CG-CG2 4.45Å; C160-I196 HydrophobicContact CB-CD1 3.9Å; C160-I196 HydrophobicContact CB-CG1 3.4Å; C160-I196 VanDerWaalsContact CB-CG1 3.4Å; T192-I196 HydrophobicContact CG2-CD1 4.02Å; T192-I196 WeakPolarHBondContact O-CG1 3.38Å; T192-I196 PolarHBondContact O-N 3.07Å; T193-I196 PolarHBondContact O-N 3.37Å; I196-G198 VanDerWaalsContact C-N 3.28Å; I196-G198 PolarHBondContact O-N 3.05Å; I196-K199 PolarHBondContact O-N 3.47Å; I196-A200 VanDerWaalsContact O-CB 3.25Å; I196-A200 WeakPolarHBondContact O-CB 3.43Å; I196-A200 PolarHBondContact O-N 3.34Å; I196-F455 HydrophobicContact CG2-CE1 4.5Å; I196-F455 HydrophobicContact CG2-CZ 4.31Å; I196-E459 HydrophobicContact CD1-CG 4.04Å; I196-E459 WeakPolarHBondContact CD1-OE1 3.32Å; I196-E459 HydrophobicContact CG2-CG 4.2Å; I196-E459 WeakPolarHBondContact CG2-OE1 3.38Å; I196-V463 HydrophobicContact CD1-CG2 3.92Å
197I94.7Very high93.3Very high7 Ų719.1 Ų19.14%0.03611%0.107CC..Hα-helixtrans-65.1-36.6-179.9-162.467.8000110.9T193 L194 K199 A201 F202 L314 H318 F455T193-I197 WeakPolarHBondContact O-CG2 3.39Å; T193-I197 PolarHBondContact O-N 3.07Å; L194-I197 HydrophobicContact CD1-CG2 4.46Å; L194-I197 WeakPolarHBondContact O-CG2 3.28Å; I197-K199 PolarHBondContact O-N 3.14Å; I197-A201 HydrophobicContact CD1-CB 3.65Å; I197-A201 HydrophobicContact CG1-CB 3.99Å; I197-A201 WeakPolarHBondContact O-CA 3.41Å; I197-A201 VanDerWaalsContact O-CB 3.23Å; I197-A201 WeakPolarHBondContact O-CB 3.37Å; I197-A201 PolarHBondContact O-N 2.95Å; I197-F202 HydrophobicContact CG1-CE2 3.94Å; I197-F202 VanDerWaalsContact O-CD2 3.3Å; I197-F202 WeakPolarHBondContact O-CD2 3.25Å; I197-L314 HydrophobicContact CG2-CD1 3.89Å; I197-H318 HydrophobicContact CG2-CB 4.21Å; I197-F455 HydrophobicContact CD1-CE1 4.12Å; I197-F455 HydrophobicContact CD1-CZ 4.08Å
198G94.1Very high93.1Very high0 Ų016.8 Ų16.80%09%0.094CC..Iπ-helixtrans-50.8-58.3171.200000112.2L194 E195 I196 F202 G203 F204L194-G198 PolarHBondContact O-N 3.28Å; E195-G198 PolarHBondContact O-N 3.19Å; I196-G198 VanDerWaalsContact C-N 3.28Å; I196-G198 PolarHBondContact O-N 3.05Å; G198-F202 CarbonylContact O-C 3.43Å; G198-F202 WeakPolarHBondContact O-CA 3.48Å; G198-F202 WeakPolarHBondContact O-CB 3.41Å; G198-F202 PolarHBondContact O-N 3.4Å; G198-G203 PolarHBondContact O-N 3.45Å; G198-F204 CarbonylContact C-O 3.56Å; G198-F204 VanDerWaalsContact CA-O 3.3Å; G198-F204 WeakPolarHBondContact CA-O 3.16Å; G198-F204 PolarHBondContact O-N 3.47Å
199K93.5Very high92.8Very high34 Ų3417.1 Ų17.115%0.14810%0.096CC..Iπ-helixtrans-70.6-50-176.1-71.6175.3179.7167.40112.2I156 D159 C160 E195 I196 I197 G203 F204I156-K199 HydrophobicContact CD1-CB 4.4Å; I156-K199 HydrophobicContact CG2-CB 3.52Å; I156-K199 HydrophobicContact CG2-CD 3.98Å; I156-K199 HydrophobicContact CG2-CG 4.44Å; D159-K199 IonicContact OD2-NZ 3.97Å; D159-K199 PolarHBondContact OD2-NZ 2.87Å; C160-K199 PolarHBondContact SG-NZ 3.27Å; E195-K199 HydrophobicContact CG-CD 4.28Å; E195-K199 PolarHBondContact O-N 3.31Å; E195-K199 VanDerWaalsContact OE1-CE 3.28Å; E195-K199 WeakPolarHBondContact OE1-CE 3.47Å; I196-K199 PolarHBondContact O-N 3.47Å; I197-K199 PolarHBondContact O-N 3.14Å; K199-G203 VanDerWaalsContact O-CA 3.32Å; K199-G203 WeakPolarHBondContact O-CA 3.21Å; K199-G203 PolarHBondContact O-N 3.46Å; K199-G203 VanDerWaalsContact O-N 3.12Å; K199-F204 PolarHBondContact N-O 2.79Å
200A92.2Very high92.3Very high1 Ų123.9 Ų23.91%0.00813%0.127CC..Iπ-helixtrans-74.1-42.7-172.400000112.7F153 I156 F157 I196 D284 F455F153-A200 HydrophobicContact CB-CB 4.2Å; F153-A200 HydrophobicContact CD1-CB 3.83Å; F153-A200 HydrophobicContact CE1-CB 4.39Å; F153-A200 WeakPolarHBondContact CE1-O 3.41Å; F153-A200 HydrophobicContact CG-CB 4.02Å; I156-A200 HydrophobicContact CD1-CB 4.07Å; I156-A200 HydrophobicContact CG2-CB 4.32Å; F157-A200 HydrophobicContact CE1-CB 4.14Å; I196-A200 VanDerWaalsContact O-CB 3.25Å; I196-A200 WeakPolarHBondContact O-CB 3.43Å; I196-A200 PolarHBondContact O-N 3.34Å; A200-D284 WeakPolarHBondContact O-CB 3.32Å; A200-F455 HydrophobicContact CB-CE2 4Å; A200-F455 HydrophobicContact CB-CZ 3.94Å
201A90.6Very high91.7Very high3 Ų331.1 Ų31.13%0.02516%0.155CC..Iπ-helixtrans-91.4-31.2-177.200000113.3I197 L285 L286I197-A201 HydrophobicContact CD1-CB 3.65Å; I197-A201 HydrophobicContact CG1-CB 3.99Å; I197-A201 WeakPolarHBondContact O-CA 3.41Å; I197-A201 VanDerWaalsContact O-CB 3.23Å; I197-A201 WeakPolarHBondContact O-CB 3.37Å; I197-A201 PolarHBondContact O-N 2.95Å; A201-L285 HydrophobicContact CB-CB 3.94Å; A201-L285 HydrophobicContact CB-CD2 4.02Å; A201-L285 CarbonylContact O-C 3.47Å; A201-L285 WeakPolarHBondContact O-CA 3.49Å; A201-L285 WeakPolarHBondContact O-CB 3.28Å; A201-L285 PolarHBondContact O-N 3.42Å; A201-L286 PolarHBondContact O-N 2.74Å
202F91.8Very high90.9Very high4 Ų436.9 Ų36.92%0.01819%0.187CC..Iπ-helixtrans-117.8-8.8-171.7-51.3-68.4000113.9I197 G198 F204 M264 K268 L286 T310 F313 L314I197-F202 HydrophobicContact CG1-CE2 3.94Å; I197-F202 VanDerWaalsContact O-CD2 3.3Å; I197-F202 WeakPolarHBondContact O-CD2 3.25Å; G198-F202 CarbonylContact O-C 3.43Å; G198-F202 WeakPolarHBondContact O-CA 3.48Å; G198-F202 WeakPolarHBondContact O-CB 3.41Å; G198-F202 PolarHBondContact O-N 3.4Å; F202-F204 HydrophobicContact CB-CB 4.06Å; F202-F204 PolarHBondContact O-N 2.89Å; F202-M264 HydrophobicContact CB-SD 3.84Å; F202-M264 HydrophobicContact CD2-CE 4.48Å; F202-M264 HydrophobicContact CD2-SD 4.14Å; F202-M264 HydrophobicContact CG-CE 4.39Å; F202-M264 HydrophobicContact CG-SD 3.92Å; F202-K268 VanDerWaalsContact O-CE 3.3Å; F202-K268 WeakPolarHBondContact O-CE 3.41Å; F202-K268 PolarHBondContact O-NZ 3.07Å; F202-L286 HydrophobicContact CD1-CB 3.93Å; F202-L286 HydrophobicContact CD1-CD2 4.27Å; F202-T310 HydrophobicContact CD1-CG2 3.85Å; F202-T310 HydrophobicContact CE1-CG2 3.53Å; F202-T310 HydrophobicContact CZ-CG2 4.26Å; F202-T310 WeakPolarHBondContact CZ-O 3.4Å; F202-F313 HydrophobicContact CE1-CB 4.46Å; F202-F313 HydrophobicContact CZ-CB 3.83Å; F202-L314 HydrophobicContact CD2-CD1 4.29Å; F202-L314 HydrophobicContact CE2-CB 3.84Å; F202-L314 HydrophobicContact CE2-CD1 3.8Å; F202-L314 HydrophobicContact CE2-CG 4.43Å; F202-L314 HydrophobicContact CZ-CB 3.95Å
203G89.2Confident90.3Very high45 Ų4537.9 Ų37.946%0.46419%0.194SC..SBendtrans59.632.3-170.500000111.7G198 K199G198-G203 PolarHBondContact O-N 3.45Å; K199-G203 VanDerWaalsContact O-CA 3.32Å; K199-G203 WeakPolarHBondContact O-CA 3.21Å; K199-G203 PolarHBondContact O-N 3.46Å; K199-G203 VanDerWaalsContact O-N 3.12Å
204F89.9Confident89.7Confident50 Ų5042.6 Ų42.622%0.21922%0.222CC..  trans-118.7129.7-174.6-167.7-87.5000110.5G198 K199 F202 F206 M264G198-F204 CarbonylContact C-O 3.56Å; G198-F204 VanDerWaalsContact CA-O 3.3Å; G198-F204 WeakPolarHBondContact CA-O 3.16Å; G198-F204 PolarHBondContact O-N 3.47Å; K199-F204 PolarHBondContact N-O 2.79Å; F202-F204 HydrophobicContact CB-CB 4.06Å; F202-F204 PolarHBondContact O-N 2.89Å; F204-F206 AromaticContact CD1-CD1 3.65Å; F204-F206 HydrophobicContact CD1-CD1 3.65Å; F204-F206 HydrophobicContact CD1-CD2 4.26Å; F204-F206 AromaticContact CD1-CE1 3.47Å; F204-F206 HydrophobicContact CD1-CE1 3.47Å; F204-F206 VanDerWaalsContact CD1-CE1 3.47Å; F204-F206 HydrophobicContact CD1-CE2 4.16Å; F204-F206 HydrophobicContact CD1-CG 4.04Å; F204-F206 AromaticContact CD1-CZ 3.76Å; F204-F206 HydrophobicContact CD1-CZ 3.76Å; F204-F206 AromaticContact CE1-CD1 3.47Å; F204-F206 HydrophobicContact CE1-CD1 3.47Å; F204-F206 VanDerWaalsContact CE1-CD1 3.47Å; F204-F206 AromaticContact CE1-CE1 3.47Å; F204-F206 HydrophobicContact CE1-CE1 3.47Å; F204-F206 VanDerWaalsContact CE1-CE1 3.47Å; F204-F206 HydrophobicContact CE1-CG 4.18Å; F204-F206 HydrophobicContact CE1-CZ 4.23Å; F204-M264 HydrophobicContact CB-CG 4.21Å; F204-M264 HydrophobicContact CB-SD 4Å; F204-M264 HydrophobicContact CD1-CG 4.43Å; F204-M264 HydrophobicContact CD1-SD 4.36Å; F204-M264 HydrophobicContact CD2-CG 3.67Å; F204-M264 HydrophobicContact CD2-SD 4.46Å; F204-M264 HydrophobicContact CE2-CG 4.1Å; F204-M264 HydrophobicContact CG-CG 3.84Å; F204-M264 HydrophobicContact CG-SD 4.02Å
205N90.5Very high89.2Confident72 Ų7243.6 Ų43.639%0.38523%0.228SC..  trans-101.7114.9178.9-177.2-10000109.6E195 N207E195-N205 WeakPolarHBondContact OE1-CA 3.45Å; E195-N205 PolarHBondContact OE1-OD1 3.22Å; N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 VanDerWaalsContact CG-OD1 3.26Å; N205-N207 PolarHBondContact ND2-OD1 2.92Å; N205-N207 WeakPolarHBondContact OD1-CA 3.19Å; N205-N207 PolarHBondContact OD1-N 3.33Å; N205-N207 PolarHBondContact OD1-ND2 2.76Å; N205-N207 PolarHBondContact OD1-OD1 3.47Å
206F90.1Very high88.6Confident23 Ų2343.7 Ų43.710%0.10123%0.229CC..  trans-81.3-20.4178.6-68.9-69.2000112.1L194 E195 F204 C208 L215 M264 L314L194-F206 HydrophobicContact CD1-CD2 4.32Å; L194-F206 HydrophobicContact CD1-CE2 3.97Å; L194-F206 HydrophobicContact CD1-CZ 4.36Å; L194-F206 HydrophobicContact CG-CD2 3.91Å; L194-F206 HydrophobicContact CG-CE2 4.08Å; L194-F206 HydrophobicContact CG-CG 4.35Å; L194-F206 VanDerWaalsContact O-CD2 3.26Å; L194-F206 WeakPolarHBondContact O-CD2 3.37Å; L194-F206 WeakPolarHBondContact O-CE2 3.04Å; E195-F206 PolarHBondContact OE1-N 3.04Å; E195-F206 PolarHBondContact OE2-N 2.81Å; F204-F206 AromaticContact CD1-CD1 3.65Å; F204-F206 HydrophobicContact CD1-CD1 3.65Å; F204-F206 HydrophobicContact CD1-CD2 4.26Å; F204-F206 AromaticContact CD1-CE1 3.47Å; F204-F206 HydrophobicContact CD1-CE1 3.47Å; F204-F206 VanDerWaalsContact CD1-CE1 3.47Å; F204-F206 HydrophobicContact CD1-CE2 4.16Å; F204-F206 HydrophobicContact CD1-CG 4.04Å; F204-F206 AromaticContact CD1-CZ 3.76Å; F204-F206 HydrophobicContact CD1-CZ 3.76Å; F204-F206 AromaticContact CE1-CD1 3.47Å; F204-F206 HydrophobicContact CE1-CD1 3.47Å; F204-F206 VanDerWaalsContact CE1-CD1 3.47Å; F204-F206 AromaticContact CE1-CE1 3.47Å; F204-F206 HydrophobicContact CE1-CE1 3.47Å; F204-F206 VanDerWaalsContact CE1-CE1 3.47Å; F204-F206 HydrophobicContact CE1-CG 4.18Å; F204-F206 HydrophobicContact CE1-CZ 4.23Å; F206-C208 VanDerWaalsContact C-N 3.26Å; F206-C208 HydrophobicContact CB-CB 4.17Å; F206-C208 PolarHBondContact O-N 2.88Å; F206-L215 HydrophobicContact CD1-CD2 3.6Å; F206-L215 HydrophobicContact CE1-CD2 3.34Å; F206-L215 HydrophobicContact CZ-CD2 4.08Å; F206-M264 HydrophobicContact CZ-SD 4.03Å; F206-L314 HydrophobicContact CE2-CD1 4.15Å; F206-L314 HydrophobicContact CZ-CD1 3.99Å
207N90Very high88Confident86 Ų8648 Ų4846%0.4625%0.249SC..  trans46.350.6-168.9-57.9-76.5000110.9E195 N205 R211E195-N207 VanDerWaalsContact OE2-CA 3.25Å; E195-N207 WeakPolarHBondContact OE2-CA 3.12Å; E195-N207 PolarHBondContact OE2-N 3.4Å; N205-N207 VanDerWaalsContact C-N 3.34Å; N205-N207 VanDerWaalsContact CG-OD1 3.26Å; N205-N207 PolarHBondContact ND2-OD1 2.92Å; N205-N207 WeakPolarHBondContact OD1-CA 3.19Å; N205-N207 PolarHBondContact OD1-N 3.33Å; N205-N207 PolarHBondContact OD1-ND2 2.76Å; N205-N207 PolarHBondContact OD1-OD1 3.47Å; N207-R211 WeakPolarHBondContact O-CG 3.35Å; N207-R211 PolarHBondContact O-NE 3Å
208C89Confident87.5Confident1 Ų148 Ų481%0.00725%0.249CC..  trans-104.2-8.4-173.557.90000114.7R191 E195 F206 S213R191-C208 HydrophobicContact CB-CB 4.48Å; R191-C208 WeakPolarHBondContact CB-O 3.35Å; R191-C208 WeakPolarHBondContact CD-O 3.29Å; R191-C208 PolarHBondContact O-SG 3.24Å; E195-C208 PolarHBondContact OE2-N 2.92Å; E195-C208 PolarHBondContact OE2-SG 3.44Å; E195-C208 VanDerWaalsContact OE2-SG 3.33Å; F206-C208 VanDerWaalsContact C-N 3.26Å; F206-C208 HydrophobicContact CB-CB 4.17Å; F206-C208 PolarHBondContact O-N 2.88Å; C208-S213 VanDerWaalsContact CB-CB 3.47Å
209I89.3Confident87Confident9 Ų948 Ų485%0.04625%0.249CC..SBendtrans-65.7-45.5-176.4-58.8-178.7000112.2C160 K163 L164 T192 E195C160-I209 HydrophobicContact CB-CD1 3.71Å; C160-I209 WeakPolarHBondContact O-CD1 3.35Å; K163-I209 HydrophobicContact CB-CD1 4.01Å; K163-I209 HydrophobicContact CB-CG2 4.1Å; L164-I209 HydrophobicContact CB-CG2 4.15Å; T192-I209 HydrophobicContact CG2-CD1 4.47Å; E195-I209 HydrophobicContact CB-CD1 3.9Å; E195-I209 HydrophobicContact CB-CG1 3.77Å; E195-I209 HydrophobicContact CG-CD1 3.78Å; E195-I209 HydrophobicContact CG-CG1 3.92Å
210E84.2Confident86.2Confident143 Ų14346.9 Ų46.967%0.66825%0.246SC*.SBendtrans-90.4-9.7-170.4-63.4169.7168.900113.7
211R82.1Confident85.6Confident152 Ų15249.7 Ų49.757%0.57426%0.258SS*.SBendtrans-139.5157.7-173.163.9-179.6179.8177.82.9111.8R191 N207 S213R191-R211 WeakPolarHBondContact CD-O 3.23Å; R191-R211 PolarHBondContact NH1-O 3.3Å; N207-R211 WeakPolarHBondContact O-CG 3.35Å; N207-R211 PolarHBondContact O-NE 3Å; R211-S213 PolarHBondContact O-N 2.75Å
212D78.3Confident84.9Confident143 Ų14350.2 Ų50.277%0.76526%0.26SS*.  trans-62.4137175.2-64.4-23.7000110.4R191R191-D212 IonicContact CZ-OD1 3.63Å; R191-D212 IonicContact NH1-OD1 3.45Å; R191-D212 PolarHBondContact NH1-OD1 2.98Å
213S82.9Confident83.9Confident20 Ų2050.1 Ų50.114%0.1426%0.26CS..  trans-122.8110.6-175.1170.80000109.2C208 R211 L215 S216 E217C208-S213 VanDerWaalsContact CB-CB 3.47Å; R211-S213 PolarHBondContact O-N 2.75Å; S213-L215 PolarHBondContact O-N 2.96Å; S213-L215 PolarHBondContact OG-N 3.3Å; S213-S216 PolarHBondContact O-N 3.02Å; S213-S216 PolarHBondContact OG-N 2.85Å; S213-E217 WeakPolarHBondContact O-CB 3.46Å; S213-E217 PolarHBondContact O-N 2.85Å
214V84.8Confident82.7Confident99 Ų9948.4 Ų48.460%0.624%0.241SC*.Hα-helixtrans-53.9-35.7173.1-1790000110T218 L256V214-T218 WeakPolarHBondContact O-CB 3.18Å; V214-T218 PolarHBondContact O-N 2.92Å; V214-T218 PolarHBondContact O-OG1 2.92Å; V214-L256 HydrophobicContact CG1-CD2 3.88Å
215L84.6Confident81.2Confident21 Ų2147.1 Ų47.111%0.1124%0.238CC..Hα-helixtrans-68.8-49.6-179.8-174.862.9000112.2L194 F206 S213 E217 T218 F219 I257 C260L194-L215 HydrophobicContact CD2-CB 4.34Å; L194-L215 HydrophobicContact CD2-CD2 4.14Å; L194-L215 HydrophobicContact CD2-CG 4.1Å; F206-L215 HydrophobicContact CD1-CD2 3.6Å; F206-L215 HydrophobicContact CE1-CD2 3.34Å; F206-L215 HydrophobicContact CZ-CD2 4.08Å; S213-L215 PolarHBondContact O-N 2.96Å; S213-L215 PolarHBondContact OG-N 3.3Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3.34Å; L215-T218 WeakPolarHBondContact O-CB 3.4Å; L215-T218 PolarHBondContact O-N 3.5Å; L215-F219 HydrophobicContact CD1-CD2 4.15Å; L215-F219 HydrophobicContact CD1-CE2 3.86Å; L215-F219 HydrophobicContact CG-CD2 4.07Å; L215-F219 HydrophobicContact CG-CE2 3.98Å; L215-F219 WeakPolarHBondContact O-CD2 3.25Å; L215-F219 PolarHBondContact O-N 2.84Å; L215-I257 HydrophobicContact CD1-CG1 3.97Å; L215-C260 HydrophobicContact CD1-CB 4.49Å
216S82.7Confident79.5Confident4 Ų449.9 Ų49.93%0.02825%0.248CC..Hα-helixtrans-60.6-43.8176.81640000111.1S190 S213 T218 F219 S220S190-S216 PolarHBondContact OG-OG 2.97Å; S213-S216 PolarHBondContact O-N 3.02Å; S213-S216 PolarHBondContact OG-N 2.85Å; S216-T218 VanDerWaalsContact C-N 3.33Å; S216-T218 PolarHBondContact O-N 3.1Å; S216-F219 WeakPolarHBondContact O-CB 3.41Å; S216-F219 PolarHBondContact O-N 3Å; S216-S220 PolarHBondContact O-N 2.75Å
217E84.3Confident77.9Confident90 Ų9055.7 Ų55.742%0.42127%0.274SS..Hα-helixtrans-64.4-39.6177.6-158.3-163.4177.900111.4S213 L215 S220 K221S213-E217 WeakPolarHBondContact O-CB 3.46Å; S213-E217 PolarHBondContact O-N 2.85Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3.34Å; E217-S220 PolarHBondContact O-N 3.38Å; E217-K221 HydrophobicContact CG-CD 4.34Å; E217-K221 WeakPolarHBondContact O-CB 3.49Å; E217-K221 VanDerWaalsContact O-CG 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.49Å; E217-K221 PolarHBondContact O-N 3.02Å; E217-K221 WeakPolarHBondContact OE1-CE 3.4Å; E217-K221 IonicContact OE1-NZ 2.72Å; E217-K221 PolarHBondContact OE1-NZ 3.49Å; E217-K221 IonicContact OE2-NZ 2.91Å; E217-K221 PolarHBondContact OE2-NZ 2.95Å
218T84.5Confident75.8Confident7 Ų755.1 Ų55.14%0.04328%0.275CS..Hα-helixtrans-63.2-42.6175.7-61.10000111.3V214 L215 S216 K221 L222 E253 L256 I257V214-T218 WeakPolarHBondContact O-CB 3.18Å; V214-T218 PolarHBondContact O-N 2.92Å; V214-T218 PolarHBondContact O-OG1 2.92Å; L215-T218 WeakPolarHBondContact O-CB 3.4Å; L215-T218 PolarHBondContact O-N 3.5Å; S216-T218 VanDerWaalsContact C-N 3.33Å; S216-T218 PolarHBondContact O-N 3.1Å; T218-K221 PolarHBondContact O-N 2.86Å; T218-L222 HydrophobicContact CG2-CD1 4.04Å; T218-L222 WeakPolarHBondContact O-CG 3.41Å; T218-L222 PolarHBondContact O-N 2.89Å; T218-E253 HydrophobicContact CG2-CB 3.67Å; T218-E253 HydrophobicContact CG2-CG 4Å; T218-L256 HydrophobicContact CG2-CD2 4.43Å; T218-I257 HydrophobicContact CG2-CD1 4.1Å; T218-I257 HydrophobicContact CG2-CG1 4.12Å
219F82.6Confident74Confident0 Ų057.1 Ų57.10%028%0.283CS..Hα-helixtrans-58.6-53.9173.3-91-69.7000111.3F120 L194 L215 S216 K221 L222 T223 I257 L314 T315 H318F120-F219 HydrophobicContact CE2-CE1 4.5Å; L194-F219 HydrophobicContact CD1-CD2 4.33Å; L194-F219 HydrophobicContact CD1-CE2 4.19Å; L215-F219 HydrophobicContact CD1-CD2 4.15Å; L215-F219 HydrophobicContact CD1-CE2 3.86Å; L215-F219 HydrophobicContact CG-CD2 4.07Å; L215-F219 HydrophobicContact CG-CE2 3.98Å; L215-F219 WeakPolarHBondContact O-CD2 3.25Å; L215-F219 PolarHBondContact O-N 2.84Å; S216-F219 WeakPolarHBondContact O-CB 3.41Å; S216-F219 PolarHBondContact O-N 3Å; F219-K221 VanDerWaalsContact C-N 3.27Å; F219-K221 PolarHBondContact O-N 3.1Å; F219-L222 PolarHBondContact O-N 3.29Å; F219-L222 VanDerWaalsContact O-N 3.08Å; F219-T223 WeakPolarHBondContact O-CG2 3.22Å; F219-T223 PolarHBondContact O-N 2.93Å; F219-T223 PolarHBondContact O-OG1 3.49Å; F219-I257 HydrophobicContact CD1-CD1 3.85Å; F219-I257 HydrophobicContact CD2-CD1 4.24Å; F219-I257 HydrophobicContact CE1-CD1 3.75Å; F219-I257 HydrophobicContact CE1-CG2 3.97Å; F219-I257 HydrophobicContact CE2-CD1 4.15Å; F219-I257 HydrophobicContact CE2-CG1 4.27Å; F219-I257 HydrophobicContact CE2-CG2 3.93Å; F219-I257 HydrophobicContact CG-CD1 4.09Å; F219-I257 HydrophobicContact CZ-CB 4.45Å; F219-I257 HydrophobicContact CZ-CD1 3.9Å; F219-I257 HydrophobicContact CZ-CG1 4.25Å; F219-I257 HydrophobicContact CZ-CG2 3.35Å; F219-L314 HydrophobicContact CE2-CD2 3.94Å; F219-L314 HydrophobicContact CE2-CG 4.1Å; F219-L314 HydrophobicContact CZ-CD2 3.6Å; F219-L314 HydrophobicContact CZ-CG 3.69Å; F219-T315 HydrophobicContact CD1-CG2 4.48Å; F219-T315 HydrophobicContact CE1-CG2 4.2Å; F219-H318 AromaticContact CD2-ND1 3.95Å; F219-H318 AromaticContact CG-ND1 3.7Å
220S77Confident72.1Confident11 Ų1166.8 Ų66.88%0.07732%0.319CS..Hα-helixtrans-55-41.9178.3-89.70000112.2K186 S216 E217 S224K186-S220 PolarHBondContact NZ-OG 3.29Å; S216-S220 PolarHBondContact O-N 2.75Å; E217-S220 PolarHBondContact O-N 3.38Å; S220-S224 WeakPolarHBondContact O-CA 3.27Å; S220-S224 VanDerWaalsContact O-CB 3.22Å; S220-S224 WeakPolarHBondContact O-CB 3.44Å; S220-S224 PolarHBondContact O-N 2.93Å
221K78.5Confident70.9Confident61 Ų6161 Ų6127%0.26529%0.292SS..Hα-helixtrans-65.9-35.6178-75.7167.6-179.41650113.4E217 T218 F219E217-K221 HydrophobicContact CG-CD 4.34Å; E217-K221 WeakPolarHBondContact O-CB 3.49Å; E217-K221 VanDerWaalsContact O-CG 3.26Å; E217-K221 WeakPolarHBondContact O-CG 3.49Å; E217-K221 PolarHBondContact O-N 3.02Å; E217-K221 WeakPolarHBondContact OE1-CE 3.4Å; E217-K221 IonicContact OE1-NZ 2.72Å; E217-K221 PolarHBondContact OE1-NZ 3.49Å; E217-K221 IonicContact OE2-NZ 2.91Å; E217-K221 PolarHBondContact OE2-NZ 2.95Å; T218-K221 PolarHBondContact O-N 2.86Å; F219-K221 VanDerWaalsContact C-N 3.27Å; F219-K221 PolarHBondContact O-N 3.1Å
222L77Confident70Confident14 Ų1456.7 Ų56.77%0.07328%0.28CS..Hα-helixtrans-80.4-32.8-178.9-73.3174.2000112.7T218 F219 A250 E253 R254 I257T218-L222 HydrophobicContact CG2-CD1 4.04Å; T218-L222 WeakPolarHBondContact O-CG 3.41Å; T218-L222 PolarHBondContact O-N 2.89Å; F219-L222 PolarHBondContact O-N 3.29Å; F219-L222 VanDerWaalsContact O-N 3.08Å; L222-A250 HydrophobicContact CD2-CB 4.42Å; L222-E253 HydrophobicContact CD1-CB 4.06Å; L222-E253 HydrophobicContact CD2-CB 4.01Å; L222-E253 HydrophobicContact CG-CB 4.17Å; L222-R254 HydrophobicContact CD1-CG 4.07Å; L222-R254 HydrophobicContact CD2-CG 4.23Å; L222-I257 HydrophobicContact CD1-CD1 3.5Å; L222-I257 VanDerWaalsContact CD1-CD1 3.5Å
223T70.2Confident69.6Low1 Ų151.9 Ų51.91%0.00626%0.256CS..Hα-helixtrans-93.8-31.5-175.758.90000113F219 T315 E319F219-T223 WeakPolarHBondContact O-CG2 3.22Å; F219-T223 PolarHBondContact O-N 2.93Å; F219-T223 PolarHBondContact O-OG1 3.49Å; T223-T315 HydrophobicContact CG2-CG2 4.41Å; T223-E319 HydrophobicContact CG2-CG 4.34Å; T223-E319 VanDerWaalsContact OG1-CD 3.25Å; T223-E319 PolarHBondContact OG1-OE1 3.07Å; T223-E319 PolarHBondContact OG1-OE2 2.78Å
224S64.4Low69Low10 Ų1053.6 Ų53.67%0.0726%0.26CS..SBendtrans-108.7128.4177.9-65.30000110.8S220 S490S220-S224 WeakPolarHBondContact O-CA 3.27Å; S220-S224 VanDerWaalsContact O-CB 3.22Å; S220-S224 WeakPolarHBondContact O-CB 3.44Å; S220-S224 PolarHBondContact O-N 2.93Å; S224-S490 PolarHBondContact OG-OG 3.44Å
225S58.6Low68.3Low22 Ų2250.2 Ų50.215%0.15424%0.237CC..  trans-78.5124.9175.6-175.20000109.5K227 R484S225-K227 PolarHBondContact OG-O 3.08Å; S225-R484 VanDerWaalsContact C-CZ 3.49Å; S225-R484 VanDerWaalsContact CB-NH2 3.32Å; S225-R484 WeakPolarHBondContact O-CD 3.42Å; S225-R484 PolarHBondContact O-NE 2.68Å; S225-R484 PolarHBondContact O-NH1 2.92Å; S225-R484 PolarHBondContact O-NH2 2.9Å; S225-R484 PolarHBondContact OG-NH2 2.93Å
226E54Low67.8Low130 Ų13051.9 Ų51.961%0.60725%0.246SC*.  trans-89.5-33.3173.9-70.1-176.9171.700112.5R484E226-R484 VanDerWaalsContact C-NH1 3.28Å; E226-R484 PolarHBondContact O-NH1 3.47Å
227K56.7Low67.2Low145 Ų14557.1 Ų57.163%0.6328%0.28SS*.SBendtrans-102123.9-173.2-64-174-179.5-178.60112S225 F229 R484S225-K227 PolarHBondContact OG-O 3.08Å; K227-F229 PolarHBondContact O-N 3.03Å; K227-R484 PolarHBondContact O-NH2 3.34Å
228P46.2Very low66.9Low75 Ų7558.1 Ų58.149%0.48728%0.283SS..  trans-59.4124.1179.222.9-31000109.6R230P228-R230 PolarHBondContact O-N 3.01Å
229F50.3Low66.6Low42 Ų4260.1 Ų60.118%0.18429%0.29CS..  trans7.562165.4-98.5-91.7000118.8L60 K227 H231 F235L60-F229 HydrophobicContact CD1-CE2 4.46Å; L60-F229 HydrophobicContact CD1-CZ 4.17Å; K227-F229 PolarHBondContact O-N 3.03Å; F229-H231 HydrophobicContact CD1-CB 4.33Å; F229-H231 PolarHBondContact O-N 3.36Å; F229-F235 AromaticContact CE1-CE2 3.88Å; F229-F235 HydrophobicContact CE1-CE2 3.88Å; F229-F235 HydrophobicContact CE1-CZ 4.01Å
230R50.9Low66.3Low213 Ų21361.3 Ų61.380%0.80430%0.295SS*.  trans-73.530.8160.5-89.6-168.7176.8157.32112.5P228P228-R230 PolarHBondContact O-N 3.01Å
231H58.6Low66.4Low21 Ų2167.2 Ų67.210%0.09733%0.326CS..  trans-137.926.9-149.3-66.1-41.8000114.5F229 R234F229-H231 HydrophobicContact CD1-CB 4.33Å; F229-H231 PolarHBondContact O-N 3.36Å; H231-R234 HydrophobicContact CB-CB 4.06Å; H231-R234 HydrophobicContact CB-CG 3.62Å; H231-R234 PolarHBondContact CD2-NE 3.26Å; H231-R234 PolarHBondContact CE1-NH2 2.84Å; H231-R234 PolarHBondContact ND1-NE 3.01Å; H231-R234 VanDerWaalsContact NE2-CZ 3.34Å; H231-R234 PolarHBondContact NE2-NH2 3.04Å; H231-R234 VanDerWaalsContact O-CB 3.3Å; H231-R234 WeakPolarHBondContact O-CB 3.4Å; H231-R234 PolarHBondContact O-N 3.14Å
232I62.5Low66.7Low61 Ų6167.1 Ų67.131%0.31333%0.328SS..G310 helixtrans-46-42.2159.7-61.5177.3000110.5F48 V51 L81 R234 F235F48-I232 HydrophobicContact CD1-CG2 3.53Å; F48-I232 HydrophobicContact CE1-CG2 3.49Å; F48-I232 VanDerWaalsContact CE1-CG2 3.49Å; V51-I232 HydrophobicContact CG1-CG1 4.04Å; L81-I232 HydrophobicContact CD2-CG2 4.43Å; I232-R234 PolarHBondContact O-N 3.4Å; I232-R234 VanDerWaalsContact O-N 3.16Å; I232-F235 PolarHBondContact O-N 2.78Å; I232-F235 VanDerWaalsContact O-N 3.16Å
233P70.9Confident67.2Low42 Ų4271.5 Ų71.527%0.27336%0.358SS..G310 helixtrans-62.1-22.3176.6-25.236.4000115F235 L236 W239P233-F235 PolarHBondContact O-N 3.24Å; P233-L236 HydrophobicContact CB-CD1 4.33Å; P233-L236 WeakPolarHBondContact O-CB 3.23Å; P233-L236 WeakPolarHBondContact O-CG 3.32Å; P233-L236 PolarHBondContact O-N 3.2Å; P233-W239 HydrophobicContact CB-CD2 3.55Å; P233-W239 HydrophobicContact CB-CE3 3.12Å; P233-W239 HydrophobicContact CB-CG 4.45Å; P233-W239 HydrophobicContact CB-CH2 3.51Å; P233-W239 HydrophobicContact CB-CZ2 3.92Å; P233-W239 HydrophobicContact CB-CZ3 3.11Å; P233-W239 HydrophobicContact CG-CE3 4.32Å; P233-W239 HydrophobicContact CG-CH2 3.94Å; P233-W239 HydrophobicContact CG-CZ2 4.49Å; P233-W239 HydrophobicContact CG-CZ3 3.87Å; P233-W239 WeakPolarHBondContact O-CB 3.35Å
234R69.8Low67.9Low57 Ų5773.3 Ų73.322%0.21537%0.367CS..G310 helixtrans-63-25.2176.6-74.9-173.7-173.5-177.5-2.8113G113 H231 I232 L236 W239G113-R234 WeakPolarHBondContact CA-O 3.45Å; H231-R234 HydrophobicContact CB-CB 4.06Å; H231-R234 HydrophobicContact CB-CG 3.62Å; H231-R234 PolarHBondContact CD2-NE 3.26Å; H231-R234 PolarHBondContact CE1-NH2 2.84Å; H231-R234 PolarHBondContact ND1-NE 3.01Å; H231-R234 VanDerWaalsContact NE2-CZ 3.34Å; H231-R234 PolarHBondContact NE2-NH2 3.04Å; H231-R234 VanDerWaalsContact O-CB 3.3Å; H231-R234 WeakPolarHBondContact O-CB 3.4Å; H231-R234 PolarHBondContact O-N 3.14Å; I232-R234 PolarHBondContact O-N 3.4Å; I232-R234 VanDerWaalsContact O-N 3.16Å; R234-L236 PolarHBondContact O-N 3.18Å; R234-W239 HydrophobicContact CG-CG 4.21Å
235F70.6Confident69Low27 Ų2777.5 Ų77.512%0.11839%0.394CS..G310 helixtrans-71.3-10.5173.8-65.6-77.3000112.6V51 L80 L81 F229 I232 P233V51-F235 HydrophobicContact CB-CE2 4.43Å; V51-F235 HydrophobicContact CG1-CD2 4.03Å; V51-F235 HydrophobicContact CG1-CE2 3.53Å; V51-F235 HydrophobicContact CG1-CZ 4.34Å; V51-F235 HydrophobicContact CG2-CD2 4.21Å; V51-F235 HydrophobicContact CG2-CE2 3.95Å; V51-F235 HydrophobicContact CG2-CZ 4.21Å; L80-F235 HydrophobicContact CD1-CE1 4.49Å; L80-F235 HydrophobicContact CD2-CD1 4.17Å; L80-F235 HydrophobicContact CD2-CE1 3.69Å; L80-F235 HydrophobicContact CD2-CZ 4.23Å; L81-F235 HydrophobicContact CD1-CB 3.42Å; L81-F235 VanDerWaalsContact CD1-CB 3.42Å; L81-F235 HydrophobicContact CD2-CB 4.44Å; L81-F235 HydrophobicContact CG-CB 3.69Å; F229-F235 AromaticContact CE1-CE2 3.88Å; F229-F235 HydrophobicContact CE1-CE2 3.88Å; F229-F235 HydrophobicContact CE1-CZ 4.01Å; I232-F235 PolarHBondContact O-N 2.78Å; I232-F235 VanDerWaalsContact O-N 3.16Å; P233-F235 PolarHBondContact O-N 3.24Å
236L73.7Confident70Confident56 Ų5681.4 Ų81.429%0.29341%0.41SS..SBendtrans-73.9128.8170.2-58.4171.3000109.8L81 P233 R234 F238 W239L81-L236 HydrophobicContact CD1-CD2 4.1Å; P233-L236 HydrophobicContact CB-CD1 4.33Å; P233-L236 WeakPolarHBondContact O-CB 3.23Å; P233-L236 WeakPolarHBondContact O-CG 3.32Å; P233-L236 PolarHBondContact O-N 3.2Å; R234-L236 PolarHBondContact O-N 3.18Å; L236-F238 HydrophobicContact CB-CE1 4.18Å; L236-F238 HydrophobicContact CB-CE2 4.32Å; L236-F238 HydrophobicContact CB-CZ 4.05Å; L236-F238 HydrophobicContact CD1-CE2 4.2Å; L236-F238 HydrophobicContact CD1-CZ 3.93Å; L236-F238 HydrophobicContact CG-CZ 4.42Å; L236-F238 PolarHBondContact O-N 2.64Å; L236-W239 HydrophobicContact CB-CB 4.34Å; L236-W239 WeakPolarHBondContact O-CB 3.4Å; L236-W239 PolarHBondContact O-N 3.11Å
237P70.2Confident71.4Confident115 Ų11576.1 Ų76.175%0.74739%0.386SS*.THydrogen-bonded Turntrans-56.6-28-173.9-27.133.3000115.4
238F77.9Confident72.8Confident111 Ų11173.1 Ų73.149%0.48738%0.376SS..THydrogen-bonded Turntrans-95.6-4.5-177.654.6-97.5000113.6L236 E240 N241 L242L236-F238 HydrophobicContact CB-CE1 4.18Å; L236-F238 HydrophobicContact CB-CE2 4.32Å; L236-F238 HydrophobicContact CB-CZ 4.05Å; L236-F238 HydrophobicContact CD1-CE2 4.2Å; L236-F238 HydrophobicContact CD1-CZ 3.93Å; L236-F238 HydrophobicContact CG-CZ 4.42Å; L236-F238 PolarHBondContact O-N 2.64Å; F238-E240 VanDerWaalsContact C-N 3.3Å; F238-E240 PolarHBondContact O-N 2.81Å; F238-N241 WeakPolarHBondContact O-CB 3.29Å; F238-N241 PolarHBondContact O-N 2.78Å; F238-L242 HydrophobicContact CD2-CD1 4.27Å; F238-L242 HydrophobicContact CD2-CD2 4.25Å; F238-L242 HydrophobicContact CD2-CG 4.29Å; F238-L242 HydrophobicContact CE2-CD1 4.41Å; F238-L242 PolarHBondContact O-N 3.32Å
239W78.7Confident74.7Confident48 Ų4875.1 Ų75.118%0.18238%0.377CS..G310 helixtrans-58.1-42.1-172.4177.8-90.6000112.9P233 R234 L236 N241 L242 I244 N247P233-W239 HydrophobicContact CB-CD2 3.55Å; P233-W239 HydrophobicContact CB-CE3 3.12Å; P233-W239 HydrophobicContact CB-CG 4.45Å; P233-W239 HydrophobicContact CB-CH2 3.51Å; P233-W239 HydrophobicContact CB-CZ2 3.92Å; P233-W239 HydrophobicContact CB-CZ3 3.11Å; P233-W239 HydrophobicContact CG-CE3 4.32Å; P233-W239 HydrophobicContact CG-CH2 3.94Å; P233-W239 HydrophobicContact CG-CZ2 4.49Å; P233-W239 HydrophobicContact CG-CZ3 3.87Å; P233-W239 WeakPolarHBondContact O-CB 3.35Å; R234-W239 HydrophobicContact CG-CG 4.21Å; L236-W239 HydrophobicContact CB-CB 4.34Å; L236-W239 WeakPolarHBondContact O-CB 3.4Å; L236-W239 PolarHBondContact O-N 3.11Å; W239-N241 PolarHBondContact O-N 3.46Å; W239-L242 HydrophobicContact CD2-CD1 4.34Å; W239-L242 HydrophobicContact CE3-CD1 3.63Å; W239-L242 HydrophobicContact CZ3-CD1 4.03Å; W239-L242 WeakPolarHBondContact O-CB 3.36Å; W239-L242 PolarHBondContact O-N 2.7Å; W239-L242 VanDerWaalsContact O-N 3.17Å; W239-I244 HydrophobicContact CD2-CD1 4.4Å; W239-I244 HydrophobicContact CH2-CD1 3.95Å; W239-I244 HydrophobicContact CZ2-CD1 3.37Å; W239-N247 PolarHBondContact O-ND2 2.87Å
240E76.5Confident76.2Confident25 Ų2574 Ų7412%0.11738%0.375CS..G310 helixtrans-66.3-18.6-179.6-62.2-178137.200113L114 S115 A116 F238 N247L114-E240 VanDerWaalsContact C-OE1 3.29Å; L114-E240 WeakPolarHBondContact CA-OE1 3.3Å; S115-E240 WeakPolarHBondContact CB-OE2 3.44Å; S115-E240 PolarHBondContact N-OE1 3.19Å; S115-E240 PolarHBondContact N-OE2 2.82Å; S115-E240 PolarHBondContact OG-OE2 2.69Å; A116-E240 HydrophobicContact CB-CB 3.88Å; A116-E240 VanDerWaalsContact CB-CD 3.41Å; A116-E240 HydrophobicContact CB-CG 4.07Å; A116-E240 WeakPolarHBondContact CB-OE2 3.29Å; A116-E240 PolarHBondContact N-OE1 3.49Å; A116-E240 PolarHBondContact N-OE2 2.85Å; F238-E240 VanDerWaalsContact C-N 3.3Å; F238-E240 PolarHBondContact O-N 2.81Å; E240-N247 PolarHBondContact O-ND2 2.71Å
241N78Confident77.9Confident136 Ų13667.2 Ų67.273%0.72736%0.36SS*.G310 helixtrans-93.5-8179.3-60-27.3000112.7F238 W239F238-N241 WeakPolarHBondContact O-CB 3.29Å; F238-N241 PolarHBondContact O-N 2.78Å; W239-N241 PolarHBondContact O-N 3.46Å
242L84.2Confident79.4Confident59 Ų5975 Ų7531%0.30939%0.388SS..SBendtrans-69.6138.5178-65.5176.4000110.2F238 W239 I244 N247F238-L242 HydrophobicContact CD2-CD1 4.27Å; F238-L242 HydrophobicContact CD2-CD2 4.25Å; F238-L242 HydrophobicContact CD2-CG 4.29Å; F238-L242 HydrophobicContact CE2-CD1 4.41Å; F238-L242 PolarHBondContact O-N 3.32Å; W239-L242 HydrophobicContact CD2-CD1 4.34Å; W239-L242 HydrophobicContact CE3-CD1 3.63Å; W239-L242 HydrophobicContact CZ3-CD1 4.03Å; W239-L242 WeakPolarHBondContact O-CB 3.36Å; W239-L242 PolarHBondContact O-N 2.7Å; W239-L242 VanDerWaalsContact O-N 3.17Å; L242-I244 HydrophobicContact CB-CG1 4.43Å; L242-I244 HydrophobicContact CB-CG2 4.17Å; L242-I244 PolarHBondContact O-N 2.78Å; L242-N247 WeakPolarHBondContact O-CB 3.49Å; L242-N247 PolarHBondContact O-ND2 3.24Å
243P88.4Confident80.6Confident106 Ų10673.6 Ų73.669%0.68838%0.38SS*.  trans-78.347.418034.5-37.3000112
244I85.4Confident81.4Confident39 Ų3973.6 Ų73.620%0.238%0.375CS..  trans-84151.617757172.9000110.9W239 L242 E246 N247 L248W239-I244 HydrophobicContact CD2-CD1 4.4Å; W239-I244 HydrophobicContact CH2-CD1 3.95Å; W239-I244 HydrophobicContact CZ2-CD1 3.37Å; L242-I244 HydrophobicContact CB-CG1 4.43Å; L242-I244 HydrophobicContact CB-CG2 4.17Å; L242-I244 PolarHBondContact O-N 2.78Å; I244-E246 PolarHBondContact O-N 2.65Å; I244-E246 VanDerWaalsContact O-N 3.11Å; I244-N247 HydrophobicContact CG1-CB 3.87Å; I244-N247 VanDerWaalsContact CG1-ND2 3.32Å; I244-N247 WeakPolarHBondContact CG1-ND2 3.2Å; I244-N247 PolarHBondContact O-N 3.19Å; I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 3.26Å
245P86.1Confident82.4Confident98 Ų9873.3 Ų73.364%0.63638%0.381SS*.Hα-helixtrans-50.7-39.7-176.2-29.636.3000114.1K249P245-K249 VanDerWaalsContact O-CB 3.31Å; P245-K249 WeakPolarHBondContact O-CB 3.42Å; P245-K249 PolarHBondContact O-N 3.01Å
246E81Confident83.3Confident104 Ų10474.7 Ų74.749%0.48639%0.39SS..Hα-helixtrans-64.1-44.6178.9-66.477.5-171.600112.5I244 K249 A250I244-E246 PolarHBondContact O-N 2.65Å; I244-E246 VanDerWaalsContact O-N 3.11Å; E246-K249 PolarHBondContact O-N 3.41Å; E246-A250 WeakPolarHBondContact O-CB 3.36Å; E246-A250 PolarHBondContact O-N 3.39Å
247N82Confident84.1Confident19 Ų1972 Ų7210%0.10238%0.376CS..Hα-helixtrans-70.8-39.4-180-70.7-11.6000111.2W239 E240 L242 I244 K249 A250 C251W239-N247 PolarHBondContact O-ND2 2.87Å; E240-N247 PolarHBondContact O-ND2 2.71Å; L242-N247 WeakPolarHBondContact O-CB 3.49Å; L242-N247 PolarHBondContact O-ND2 3.24Å; I244-N247 HydrophobicContact CG1-CB 3.87Å; I244-N247 VanDerWaalsContact CG1-ND2 3.32Å; I244-N247 WeakPolarHBondContact CG1-ND2 3.2Å; I244-N247 PolarHBondContact O-N 3.19Å; N247-K249 VanDerWaalsContact C-N 3.34Å; N247-A250 PolarHBondContact O-N 2.93Å; N247-C251 VanDerWaalsContact O-CB 3.32Å; N247-C251 WeakPolarHBondContact O-CB 3.34Å; N247-C251 PolarHBondContact O-N 3.4Å
248L87.6Confident85.1Confident81 Ų8167.9 Ų67.942%0.42435%0.35SS..Hα-helixtrans-63.1-42.1175.5-66.9175.7000111.1I244 C251 R252I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 3.26Å; L248-C251 WeakPolarHBondContact O-CB 3.46Å; L248-C251 PolarHBondContact O-N 3.18Å; L248-R252 WeakPolarHBondContact O-CG 3.34Å; L248-R252 PolarHBondContact O-N 3.44Å
249K86.3Confident85.8Confident117 Ų11769.2 Ų69.251%0.50935%0.351SS..Hα-helixtrans-61.4-50.8174.1-173.8-177.8179-167.70111.3P245 E246 N247 C251 R252 E253P245-K249 VanDerWaalsContact O-CB 3.31Å; P245-K249 WeakPolarHBondContact O-CB 3.42Å; P245-K249 PolarHBondContact O-N 3.01Å; E246-K249 PolarHBondContact O-N 3.41Å; N247-K249 VanDerWaalsContact C-N 3.34Å; K249-C251 PolarHBondContact O-N 2.97Å; K249-R252 WeakPolarHBondContact O-CB 3.49Å; K249-R252 PolarHBondContact O-N 2.97Å; K249-R252 VanDerWaalsContact O-N 3.08Å; K249-E253 WeakPolarHBondContact CE-OE1 3.47Å; K249-E253 IonicContact NZ-OE1 2.75Å; K249-E253 WeakPolarHBondContact O-CG 3.28Å; K249-E253 PolarHBondContact O-N 3.27Å
250A82.1Confident86.5Confident18 Ų1867.9 Ų67.915%0.14935%0.349CS..Hα-helixtrans-60.5-34.717800000112.3L222 E246 N247 E253 R254L222-A250 HydrophobicContact CD2-CB 4.42Å; E246-A250 WeakPolarHBondContact O-CB 3.36Å; E246-A250 PolarHBondContact O-N 3.39Å; N247-A250 PolarHBondContact O-N 2.93Å; A250-E253 PolarHBondContact O-N 3.49Å; A250-R254 WeakPolarHBondContact O-CB 3.33Å; A250-R254 VanDerWaalsContact O-CG 3.27Å; A250-R254 WeakPolarHBondContact O-CG 3.41Å; A250-R254 PolarHBondContact O-N 2.82Å; A250-R254 PolarHBondContact O-NE 3.39Å
251C85.4Confident87.3Confident72 Ų7266.7 Ų66.749%0.48634%0.344SS..Hα-helixtrans-64-44.3174.1-168.50000112.1N247 L248 K249 R254 S255N247-C251 VanDerWaalsContact O-CB 3.32Å; N247-C251 WeakPolarHBondContact O-CB 3.34Å; N247-C251 PolarHBondContact O-N 3.4Å; L248-C251 WeakPolarHBondContact O-CB 3.46Å; L248-C251 PolarHBondContact O-N 3.18Å; K249-C251 PolarHBondContact O-N 2.97Å; C251-R254 PolarHBondContact O-N 3.49Å; C251-S255 WeakPolarHBondContact O-CB 3.34Å; C251-S255 PolarHBondContact O-N 3.32Å
252R89.3Confident88.1Confident184 Ų18463.3 Ų63.369%0.69433%0.326SS*.Hα-helixtrans-62.5-43.7175.6-68.5172.8-172.9173.92.4111.9L248 K249 S255 L256L248-R252 WeakPolarHBondContact O-CG 3.34Å; L248-R252 PolarHBondContact O-N 3.44Å; K249-R252 WeakPolarHBondContact O-CB 3.49Å; K249-R252 PolarHBondContact O-N 2.97Å; K249-R252 VanDerWaalsContact O-N 3.08Å; R252-S255 WeakPolarHBondContact O-CB 3.43Å; R252-S255 PolarHBondContact O-N 2.92Å; R252-L256 PolarHBondContact O-N 3.38Å
253E87.9Confident88.4Confident31 Ų3163 Ų6315%0.14533%0.328CS..Hα-helixtrans-61.3-46.6176.9-74.8171.9165.900111.5T218 L222 K249 A250 S255 L256 I257T218-E253 HydrophobicContact CG2-CB 3.67Å; T218-E253 HydrophobicContact CG2-CG 4Å; L222-E253 HydrophobicContact CD1-CB 4.06Å; L222-E253 HydrophobicContact CD2-CB 4.01Å; L222-E253 HydrophobicContact CG-CB 4.17Å; K249-E253 WeakPolarHBondContact CE-OE1 3.47Å; K249-E253 IonicContact NZ-OE1 2.75Å; K249-E253 WeakPolarHBondContact O-CG 3.28Å; K249-E253 PolarHBondContact O-N 3.27Å; A250-E253 PolarHBondContact O-N 3.49Å; E253-S255 VanDerWaalsContact C-N 3.34Å; E253-S255 PolarHBondContact O-N 3.05Å; E253-L256 WeakPolarHBondContact O-CB 3.15Å; E253-L256 PolarHBondContact O-N 3.25Å; E253-I257 PolarHBondContact O-N 2.95Å
254R87.9Confident88.6Confident43 Ų4358.1 Ų58.116%0.16230%0.296CS..Hα-helixtrans-61.5-40.4173.8-73.6-177.6-73.9-107.93.7112.6A116 F120 L222 A250 C251 L256 I257 S258A116-R254 PolarHBondContact O-NH1 3.08Å; F120-R254 HydrophobicContact CB-CB 4.31Å; F120-R254 HydrophobicContact CB-CG 3.64Å; F120-R254 HydrophobicContact CD2-CG 4.43Å; F120-R254 HydrophobicContact CG-CG 3.98Å; L222-R254 HydrophobicContact CD1-CG 4.07Å; L222-R254 HydrophobicContact CD2-CG 4.23Å; A250-R254 WeakPolarHBondContact O-CB 3.33Å; A250-R254 VanDerWaalsContact O-CG 3.27Å; A250-R254 WeakPolarHBondContact O-CG 3.41Å; A250-R254 PolarHBondContact O-N 2.82Å; A250-R254 PolarHBondContact O-NE 3.39Å; C251-R254 PolarHBondContact O-N 3.49Å; R254-L256 VanDerWaalsContact C-N 3.3Å; R254-L256 PolarHBondContact O-N 3.21Å; R254-I257 PolarHBondContact O-N 3.39Å; R254-S258 PolarHBondContact O-N 2.84Å
255S90.3Very high89Confident50 Ų5056.8 Ų56.835%0.3529%0.29SS..Hα-helixtrans-63.2-36.4177-178.50000112C251 R252 E253 S258 R259C251-S255 WeakPolarHBondContact O-CB 3.34Å; C251-S255 PolarHBondContact O-N 3.32Å; R252-S255 WeakPolarHBondContact O-CB 3.43Å; R252-S255 PolarHBondContact O-N 2.92Å; E253-S255 VanDerWaalsContact C-N 3.34Å; E253-S255 PolarHBondContact O-N 3.05Å; S255-S258 PolarHBondContact O-N 3.46Å; S255-R259 WeakPolarHBondContact O-CG 3.3Å; S255-R259 PolarHBondContact O-N 2.85Å; S255-R259 PolarHBondContact OG-NH1 3.35Å
256L91Very high89.3Confident56 Ų5654.3 Ų54.329%0.29328%0.277SS..Hα-helixtrans-60-48.8175.1179.966.3000111.5V214 T218 R252 E253 R254 R259 C260V214-L256 HydrophobicContact CG1-CD2 3.88Å; T218-L256 HydrophobicContact CG2-CD2 4.43Å; R252-L256 PolarHBondContact O-N 3.38Å; E253-L256 WeakPolarHBondContact O-CB 3.15Å; E253-L256 PolarHBondContact O-N 3.25Å; R254-L256 VanDerWaalsContact C-N 3.3Å; R254-L256 PolarHBondContact O-N 3.21Å; L256-R259 PolarHBondContact O-N 3.34Å; L256-C260 PolarHBondContact O-N 3.41Å; L256-C260 VanDerWaalsContact O-N 3.13Å
257I90.4Very high89.8Confident0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-65.3-43.7178.9-56.9176.1000110.5F120 L215 T218 F219 L222 E253 R254 R259 C260 V261 M311 L314F120-I257 HydrophobicContact CE2-CD1 4.23Å; L215-I257 HydrophobicContact CD1-CG1 3.97Å; T218-I257 HydrophobicContact CG2-CD1 4.1Å; T218-I257 HydrophobicContact CG2-CG1 4.12Å; F219-I257 HydrophobicContact CD1-CD1 3.85Å; F219-I257 HydrophobicContact CD2-CD1 4.24Å; F219-I257 HydrophobicContact CE1-CD1 3.75Å; F219-I257 HydrophobicContact CE1-CG2 3.97Å; F219-I257 HydrophobicContact CE2-CD1 4.15Å; F219-I257 HydrophobicContact CE2-CG1 4.27Å; F219-I257 HydrophobicContact CE2-CG2 3.93Å; F219-I257 HydrophobicContact CG-CD1 4.09Å; F219-I257 HydrophobicContact CZ-CB 4.45Å; F219-I257 HydrophobicContact CZ-CD1 3.9Å; F219-I257 HydrophobicContact CZ-CG1 4.25Å; F219-I257 HydrophobicContact CZ-CG2 3.35Å; L222-I257 HydrophobicContact CD1-CD1 3.5Å; L222-I257 VanDerWaalsContact CD1-CD1 3.5Å; E253-I257 PolarHBondContact O-N 2.95Å; R254-I257 PolarHBondContact O-N 3.39Å; I257-R259 VanDerWaalsContact C-N 3.32Å; I257-R259 PolarHBondContact O-N 2.66Å; I257-C260 WeakPolarHBondContact O-CB 3.42Å; I257-C260 PolarHBondContact O-N 3.14Å; I257-C260 VanDerWaalsContact O-N 3.11Å; I257-V261 PolarHBondContact O-N 2.86Å; I257-M311 HydrophobicContact CB-CE 4.38Å; I257-M311 HydrophobicContact CG2-CE 3.75Å; I257-M311 HydrophobicContact CG2-SD 3.48Å; I257-M311 WeakPolarHBondContact CG2-SD 3.27Å; I257-L314 HydrophobicContact CG2-CD2 4.39Å
258S91.7Very high90.1Very high28 Ų2855.9 Ų55.920%0.19628%0.277CS..Hα-helixtrans-56.1-46.7176.4176.10000111.7R254 S255 C260 V261 D262 K307R254-S258 PolarHBondContact O-N 2.84Å; S255-S258 PolarHBondContact O-N 3.46Å; S258-C260 VanDerWaalsContact C-N 3.27Å; S258-C260 PolarHBondContact O-N 3.43Å; S258-V261 WeakPolarHBondContact O-CB 3.11Å; S258-V261 PolarHBondContact O-N 3.36Å; S258-D262 PolarHBondContact O-N 2.81Å; S258-D262 PolarHBondContact OG-OD2 3.25Å; S258-K307 VanDerWaalsContact OG-CE 3.28Å; S258-K307 WeakPolarHBondContact OG-CE 3.42Å; S258-K307 PolarHBondContact OG-NZ 3.33Å
259R92.4Very high90.2Very high139 Ų13957.1 Ų57.153%0.52528%0.277SS..Hα-helixtrans-63-35.8178.8-74.8-170.5-60.1-109.90.6112.3S255 L256 I257 D262 S263S255-R259 WeakPolarHBondContact O-CG 3.3Å; S255-R259 PolarHBondContact O-N 2.85Å; S255-R259 PolarHBondContact OG-NH1 3.35Å; L256-R259 PolarHBondContact O-N 3.34Å; I257-R259 VanDerWaalsContact C-N 3.32Å; I257-R259 PolarHBondContact O-N 2.66Å; R259-D262 PolarHBondContact O-N 2.91Å; R259-S263 WeakPolarHBondContact O-CB 3.36Å; R259-S263 PolarHBondContact O-N 2.91Å
260C91.7Very high90.4Very high20 Ų2057.7 Ų57.714%0.13528%0.281CS..Hα-helixtrans-62.3-47.7174.2-178.50000111L215 L256 I257 S258 D262 S263 M264L215-C260 HydrophobicContact CD1-CB 4.49Å; L256-C260 PolarHBondContact O-N 3.41Å; L256-C260 VanDerWaalsContact O-N 3.13Å; I257-C260 WeakPolarHBondContact O-CB 3.42Å; I257-C260 PolarHBondContact O-N 3.14Å; I257-C260 VanDerWaalsContact O-N 3.11Å; S258-C260 VanDerWaalsContact C-N 3.27Å; S258-C260 PolarHBondContact O-N 3.43Å; C260-D262 VanDerWaalsContact C-N 3.34Å; C260-D262 PolarHBondContact O-N 3.39Å; C260-S263 PolarHBondContact O-N 3.45Å; C260-S263 VanDerWaalsContact O-N 3.16Å; C260-S263 PolarHBondContact O-OG 2.92Å; C260-M264 WeakPolarHBondContact O-CG 3.23Å; C260-M264 PolarHBondContact O-N 2.99Å
261V93.8Very high90.5Very high0 Ų058.8 Ų58.80%028%0.284CS..Hα-helixtrans-57.8-46.5174.1168.60000111.8I257 S258 S263 M264 I265 K307 T310 M311 L314I257-V261 PolarHBondContact O-N 2.86Å; S258-V261 WeakPolarHBondContact O-CB 3.11Å; S258-V261 PolarHBondContact O-N 3.36Å; V261-S263 VanDerWaalsContact C-N 3.27Å; V261-S263 PolarHBondContact O-N 3Å; V261-M264 HydrophobicContact CB-CE 4.33Å; V261-M264 HydrophobicContact CG2-CE 3.9Å; V261-M264 PolarHBondContact O-N 3.36Å; V261-M264 VanDerWaalsContact O-N 3.16Å; V261-I265 HydrophobicContact CG1-CD1 3.85Å; V261-I265 WeakPolarHBondContact O-CG1 3.46Å; V261-I265 PolarHBondContact O-N 2.87Å; V261-K307 HydrophobicContact CG1-CG 3.99Å; V261-T310 HydrophobicContact CG1-CG2 3.7Å; V261-T310 HydrophobicContact CG2-CG2 4.4Å; V261-M311 HydrophobicContact CB-CE 4.3Å; V261-M311 HydrophobicContact CG2-CB 4.38Å; V261-M311 HydrophobicContact CG2-CE 3.72Å; V261-M311 HydrophobicContact CG2-SD 3.99Å; V261-L314 HydrophobicContact CG2-CD2 3.98Å
262D94.2Very high90.4Very high65 Ų6557.7 Ų57.735%0.34827%0.272SS..Hα-helixtrans-58.3-41.6177.8-65.7-38.9000111.2S258 R259 C260 I265 A266 K307S258-D262 PolarHBondContact O-N 2.81Å; S258-D262 PolarHBondContact OG-OD2 3.25Å; R259-D262 PolarHBondContact O-N 2.91Å; C260-D262 VanDerWaalsContact C-N 3.34Å; C260-D262 PolarHBondContact O-N 3.39Å; D262-I265 PolarHBondContact O-N 3.03Å; D262-A266 WeakPolarHBondContact O-CB 3.45Å; D262-A266 PolarHBondContact O-N 3.2Å; D262-K307 WeakPolarHBondContact OD1-CD 3.25Å; D262-K307 WeakPolarHBondContact OD1-CE 3.31Å; D262-K307 IonicContact OD1-NZ 2.89Å; D262-K307 PolarHBondContact OD1-NZ 2.6Å; D262-K307 IonicContact OD2-NZ 3.68Å; D262-K307 PolarHBondContact OD2-NZ 3.3Å
263S92.5Very high90.2Very high52 Ų5253.1 Ų53.136%0.36427%0.274SS..Hα-helixtrans-66.8-36.8177.674.80000113.4R259 C260 V261 R267R259-S263 WeakPolarHBondContact O-CB 3.36Å; R259-S263 PolarHBondContact O-N 2.91Å; C260-S263 PolarHBondContact O-N 3.45Å; C260-S263 VanDerWaalsContact O-N 3.16Å; C260-S263 PolarHBondContact O-OG 2.92Å; V261-S263 VanDerWaalsContact C-N 3.27Å; V261-S263 PolarHBondContact O-N 3Å; S263-R267 VanDerWaalsContact O-CB 3.29Å; S263-R267 WeakPolarHBondContact O-CB 3.36Å; S263-R267 PolarHBondContact O-N 3.42Å
264M92.5Very high90Very high4 Ų455 Ų552%0.0229%0.285CS..Hα-helixtrans-65.8-43.9176.4-67.5-171-67.200110.8F202 F204 F206 C260 V261 K268 L286 T310 L314F202-M264 HydrophobicContact CB-SD 3.84Å; F202-M264 HydrophobicContact CD2-CE 4.48Å; F202-M264 HydrophobicContact CD2-SD 4.14Å; F202-M264 HydrophobicContact CG-CE 4.39Å; F202-M264 HydrophobicContact CG-SD 3.92Å; F204-M264 HydrophobicContact CB-CG 4.21Å; F204-M264 HydrophobicContact CB-SD 4Å; F204-M264 HydrophobicContact CD1-CG 4.43Å; F204-M264 HydrophobicContact CD1-SD 4.36Å; F204-M264 HydrophobicContact CD2-CG 3.67Å; F204-M264 HydrophobicContact CD2-SD 4.46Å; F204-M264 HydrophobicContact CE2-CG 4.1Å; F204-M264 HydrophobicContact CG-CG 3.84Å; F204-M264 HydrophobicContact CG-SD 4.02Å; F206-M264 HydrophobicContact CZ-SD 4.03Å; C260-M264 WeakPolarHBondContact O-CG 3.23Å; C260-M264 PolarHBondContact O-N 2.99Å; V261-M264 HydrophobicContact CB-CE 4.33Å; V261-M264 HydrophobicContact CG2-CE 3.9Å; V261-M264 PolarHBondContact O-N 3.36Å; V261-M264 VanDerWaalsContact O-N 3.16Å; M264-K268 WeakPolarHBondContact O-CB 3.46Å; M264-K268 PolarHBondContact O-N 2.61Å; M264-L286 HydrophobicContact CB-CD2 4.32Å; M264-T310 HydrophobicContact CE-CG2 3.98Å; M264-L314 HydrophobicContact CE-CD2 3.89Å
265I93.5Very high89.1Confident12 Ų1261 Ų616%0.06232%0.315CS..Hα-helixtrans-65.4-46.4177.9-65.9169.1000110.5V261 D262 K268 R269 L286 L306 K307 T310V261-I265 HydrophobicContact CG1-CD1 3.85Å; V261-I265 WeakPolarHBondContact O-CG1 3.46Å; V261-I265 PolarHBondContact O-N 2.87Å; D262-I265 PolarHBondContact O-N 3.03Å; I265-K268 PolarHBondContact O-N 2.9Å; I265-R269 WeakPolarHBondContact O-CG 3.49Å; I265-R269 PolarHBondContact O-N 3.06Å; I265-L286 HydrophobicContact CG1-CD1 4.2Å; I265-L306 HydrophobicContact CD1-CG 4.41Å; I265-L306 HydrophobicContact CG1-CD2 4.5Å; I265-L306 HydrophobicContact CG2-CD2 3.92Å; I265-K307 HydrophobicContact CD1-CB 4.08Å; I265-T310 HydrophobicContact CD1-CG2 4.47Å; I265-T310 HydrophobicContact CG1-CG2 4.36Å
266A92.8Very high88.1Confident45 Ų4564.7 Ų64.737%0.37234%0.335SS..Hα-helixtrans-58.7-50.9178.300000111.2D262 K268 R269 E270D262-A266 WeakPolarHBondContact O-CB 3.45Å; D262-A266 PolarHBondContact O-N 3.2Å; A266-K268 VanDerWaalsContact C-N 3.3Å; A266-K268 PolarHBondContact O-N 2.84Å; A266-R269 WeakPolarHBondContact O-CB 3.49Å; A266-R269 PolarHBondContact O-N 3.18Å; A266-R269 VanDerWaalsContact O-N 3.1Å; A266-E270 WeakPolarHBondContact O-CG 3.34Å; A266-E270 PolarHBondContact O-N 2.86Å
267R89.7Confident87.1Confident145 Ų14565.9 Ų65.955%0.54734%0.339SS..Hα-helixtrans-59.2-41.1177.6-178165.9174.183.9-0.4112S263 E270 L271S263-R267 VanDerWaalsContact O-CB 3.29Å; S263-R267 WeakPolarHBondContact O-CB 3.36Å; S263-R267 PolarHBondContact O-N 3.42Å; R267-E270 PolarHBondContact O-N 2.83Å; R267-L271 WeakPolarHBondContact O-CG 3.49Å; R267-L271 PolarHBondContact O-N 2.77Å; R267-L271 VanDerWaalsContact O-N 3.15Å
268K90.2Very high85.9Confident11 Ų1173 Ų735%0.04837%0.366CS..Hα-helixtrans-64-42.7176.9-164.970.467.6-172.90111.3F202 M264 I265 A266 E270 L271 M272 D284 L286 L290F202-K268 VanDerWaalsContact O-CE 3.3Å; F202-K268 WeakPolarHBondContact O-CE 3.41Å; F202-K268 PolarHBondContact O-NZ 3.07Å; M264-K268 WeakPolarHBondContact O-CB 3.46Å; M264-K268 PolarHBondContact O-N 2.61Å; I265-K268 PolarHBondContact O-N 2.9Å; A266-K268 VanDerWaalsContact C-N 3.3Å; A266-K268 PolarHBondContact O-N 2.84Å; K268-E270 VanDerWaalsContact C-N 3.34Å; K268-E270 PolarHBondContact O-N 3.37Å; K268-L271 HydrophobicContact CD-CD1 4.48Å; K268-L271 WeakPolarHBondContact O-CB 3.12Å; K268-L271 PolarHBondContact O-N 2.94Å; K268-M272 VanDerWaalsContact O-CG 3.25Å; K268-M272 WeakPolarHBondContact O-CG 3.09Å; K268-M272 PolarHBondContact O-N 2.8Å; K268-D284 WeakPolarHBondContact CE-OD1 3.18Å; K268-D284 VanDerWaalsContact NZ-CG 3.28Å; K268-D284 IonicContact NZ-OD1 3.39Å; K268-D284 PolarHBondContact NZ-OD1 3.45Å; K268-D284 IonicContact NZ-OD2 2.66Å; K268-D284 PolarHBondContact NZ-OD2 3.41Å; K268-L286 HydrophobicContact CB-CD2 3.85Å; K268-L286 HydrophobicContact CB-CG 4.23Å; K268-L286 HydrophobicContact CG-CD2 4.22Å; K268-L286 HydrophobicContact CG-CG 4.12Å; K268-L290 HydrophobicContact CB-CD1 3.86Å; K268-L290 HydrophobicContact CG-CD1 3.38Å
269R89.6Confident84.7Confident108 Ų10879.1 Ų79.141%0.40840%0.397SS..Hα-helixtrans-62.3-38.2176.7-74.3176.7174.7-179.4-2.1112.9I265 A266 M272 A273 L290 C303I265-R269 WeakPolarHBondContact O-CG 3.49Å; I265-R269 PolarHBondContact O-N 3.06Å; A266-R269 WeakPolarHBondContact O-CB 3.49Å; A266-R269 PolarHBondContact O-N 3.18Å; A266-R269 VanDerWaalsContact O-N 3.1Å; R269-M272 WeakPolarHBondContact O-CB 3.48Å; R269-M272 PolarHBondContact O-N 3.36Å; R269-M272 VanDerWaalsContact O-N 3.12Å; R269-A273 PolarHBondContact O-N 2.92Å; R269-A273 VanDerWaalsContact O-N 3.12Å; R269-L290 HydrophobicContact CG-CD2 4.29Å; R269-C303 PolarHBondContact NH2-SG 3.13Å
270E88.7Confident83.8Confident129 Ų12974.5 Ų74.560%0.60339%0.386SS*.Hα-helixtrans-60.1-46.5173.5-71.4167.3-174.800111.3A266 R267 K268 M272 A273 N274A266-E270 WeakPolarHBondContact O-CG 3.34Å; A266-E270 PolarHBondContact O-N 2.86Å; R267-E270 PolarHBondContact O-N 2.83Å; K268-E270 VanDerWaalsContact C-N 3.34Å; K268-E270 PolarHBondContact O-N 3.37Å; E270-M272 PolarHBondContact O-N 3.12Å; E270-A273 PolarHBondContact O-N 3.41Å; E270-A273 VanDerWaalsContact O-N 3.12Å; E270-N274 PolarHBondContact O-N 3.47Å
271L85.5Confident83Confident40 Ų4073.7 Ų73.721%0.20938%0.38CS..Hα-helixtrans-60.6-33.1173.9-62.2170.6000111.8R267 K268 A273 N274 E277R267-L271 WeakPolarHBondContact O-CG 3.49Å; R267-L271 PolarHBondContact O-N 2.77Å; R267-L271 VanDerWaalsContact O-N 3.15Å; K268-L271 HydrophobicContact CD-CD1 4.48Å; K268-L271 WeakPolarHBondContact O-CB 3.12Å; K268-L271 PolarHBondContact O-N 2.94Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 2.97Å; L271-N274 PolarHBondContact O-N 3.19Å; L271-E277 WeakPolarHBondContact CD2-OE2 3.3Å
272M83.3Confident82.1Confident49 Ų4975.2 Ų75.224%0.24140%0.396CS..Hα-helixtrans-68.8-29.8176.4-55.6-16657.400114.3K268 R269 E270 N274 I281 L290 L291K268-M272 VanDerWaalsContact O-CG 3.25Å; K268-M272 WeakPolarHBondContact O-CG 3.09Å; K268-M272 PolarHBondContact O-N 2.8Å; R269-M272 WeakPolarHBondContact O-CB 3.48Å; R269-M272 PolarHBondContact O-N 3.36Å; R269-M272 VanDerWaalsContact O-N 3.12Å; E270-M272 PolarHBondContact O-N 3.12Å; M272-N274 VanDerWaalsContact C-N 3.27Å; M272-I281 HydrophobicContact CB-CD1 3.8Å; M272-I281 HydrophobicContact CE-CD1 4.17Å; M272-I281 HydrophobicContact CE-CG2 4.4Å; M272-I281 HydrophobicContact CG-CD1 3.59Å; M272-I281 HydrophobicContact CG-CG1 3.97Å; M272-I281 HydrophobicContact CG-CG2 3.98Å; M272-I281 HydrophobicContact SD-CG2 4.18Å; M272-L290 HydrophobicContact CE-CB 4.47Å; M272-L290 HydrophobicContact SD-CB 3.75Å; M272-L290 HydrophobicContact SD-CD1 3.81Å; M272-L290 HydrophobicContact SD-CD2 4.24Å; M272-L290 HydrophobicContact SD-CG 4.16Å; M272-L291 HydrophobicContact CE-CD2 3.58Å; M272-L291 HydrophobicContact CE-CG 4.28Å
273A84.7Confident81.4Confident88 Ų8879 Ų7973%0.72741%0.409SS*.Hα-helixtrans-76.7-18.317800000112.2R269 E270 L271R269-A273 PolarHBondContact O-N 2.92Å; R269-A273 VanDerWaalsContact O-N 3.12Å; E270-A273 PolarHBondContact O-N 3.41Å; E270-A273 VanDerWaalsContact O-N 3.12Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 2.97Å
274N83Confident81.2Confident71 Ų7177.1 Ų77.138%0.3840%0.395SS..  trans-87.8110.3177.3-170.2-3.1000110.7E270 L271 M272 V276 E277 R278E270-N274 PolarHBondContact O-N 3.47Å; L271-N274 PolarHBondContact O-N 3.19Å; M272-N274 VanDerWaalsContact C-N 3.27Å; N274-V276 PolarHBondContact O-N 2.73Å; N274-E277 PolarHBondContact ND2-OE2 3.37Å; N274-E277 PolarHBondContact O-N 2.88Å; N274-E277 VanDerWaalsContact O-N 3.14Å; N274-R278 PolarHBondContact O-N 3.19Å
275E69.6Low81Confident168 Ų16877.1 Ų77.179%0.78540%0.395SS*.G310 helixtrans-57.6-34.4-175.2-71.6-169.3153.600113.5E277 R278E275-E277 VanDerWaalsContact C-N 3.29Å; E275-E277 PolarHBondContact O-N 3.5Å; E275-R278 WeakPolarHBondContact O-CB 3.38Å; E275-R278 PolarHBondContact O-N 3.27Å
276V69.5Low80.9Confident129 Ų12976.5 Ų76.578%0.78239%0.392SS*.G310 helixtrans-67-32.6-177.7-176.50000111.9N274N274-V276 PolarHBondContact O-N 2.73Å
277E69.3Low80.8Confident80 Ų8074.4 Ų74.437%0.37437%0.374SS..G310 helixtrans-97.61.7-174.6-65.4-176133.400112.7L271 N274 E275 D279 S280L271-E277 WeakPolarHBondContact CD2-OE2 3.3Å; N274-E277 PolarHBondContact ND2-OE2 3.37Å; N274-E277 PolarHBondContact O-N 2.88Å; N274-E277 VanDerWaalsContact O-N 3.14Å; E275-E277 VanDerWaalsContact C-N 3.29Å; E275-E277 PolarHBondContact O-N 3.5Å; E277-D279 VanDerWaalsContact C-N 3.3Å; E277-D279 PolarHBondContact O-N 2.74Å; E277-S280 WeakPolarHBondContact O-CB 3.38Å; E277-S280 PolarHBondContact O-N 2.99Å; E277-S280 PolarHBondContact O-OG 3.43Å
278R65Low80.6Confident149 Ų14969.1 Ų69.156%0.56236%0.356SS*.Hα-helixtrans-61.2-37.2-172-160.9176.8-175.7173.90.6113.2N274 E275 S280 I281N274-R278 PolarHBondContact O-N 3.19Å; E275-R278 WeakPolarHBondContact O-CB 3.38Å; E275-R278 PolarHBondContact O-N 3.27Å; R278-S280 PolarHBondContact O-N 3.32Å; R278-I281 HydrophobicContact CB-CD1 4.16Å; R278-I281 HydrophobicContact CG-CD1 3.61Å; R278-I281 WeakPolarHBondContact O-CB 3.3Å; R278-I281 WeakPolarHBondContact O-CD1 3.41Å; R278-I281 VanDerWaalsContact O-CG1 3.29Å; R278-I281 WeakPolarHBondContact O-CG1 3.36Å; R278-I281 PolarHBondContact O-N 2.92Å
279D67.8Low80.6Confident157 Ų15768.7 Ų68.784%0.8436%0.355SS*.Hα-helixtrans-67.5-18.4177.9-69.9-16.8000113.1E277E277-D279 VanDerWaalsContact C-N 3.3Å; E277-D279 PolarHBondContact O-N 2.74Å
280S74Confident80.6Confident43 Ų4364.8 Ų64.830%0.30134%0.342SS..Hα-helixtrans-85.1-17.317978.40000113.9E277 R278 G282 K283E277-S280 WeakPolarHBondContact O-CB 3.38Å; E277-S280 PolarHBondContact O-N 2.99Å; E277-S280 PolarHBondContact O-OG 3.43Å; R278-S280 PolarHBondContact O-N 3.32Å; S280-G282 PolarHBondContact O-N 2.74Å; S280-K283 WeakPolarHBondContact O-CB 3.38Å; S280-K283 WeakPolarHBondContact O-CG 3.24Å; S280-K283 PolarHBondContact O-N 2.86Å
281I74.6Confident80.5Confident2 Ų262.4 Ų62.41%0.0133%0.333CS..Hα-helixtrans-59.4-48.2-173.9-59.6158.4000110.6M272 R278 K283 G287 L291M272-I281 HydrophobicContact CB-CD1 3.8Å; M272-I281 HydrophobicContact CE-CD1 4.17Å; M272-I281 HydrophobicContact CE-CG2 4.4Å; M272-I281 HydrophobicContact CG-CD1 3.59Å; M272-I281 HydrophobicContact CG-CG1 3.97Å; M272-I281 HydrophobicContact CG-CG2 3.98Å; M272-I281 HydrophobicContact SD-CG2 4.18Å; R278-I281 HydrophobicContact CB-CD1 4.16Å; R278-I281 HydrophobicContact CG-CD1 3.61Å; R278-I281 WeakPolarHBondContact O-CB 3.3Å; R278-I281 WeakPolarHBondContact O-CD1 3.41Å; R278-I281 VanDerWaalsContact O-CG1 3.29Å; R278-I281 WeakPolarHBondContact O-CG1 3.36Å; R278-I281 PolarHBondContact O-N 2.92Å; I281-K283 PolarHBondContact O-N 3.19Å; I281-G287 VanDerWaalsContact O-CA 3.29Å; I281-G287 WeakPolarHBondContact O-CA 3.39Å; I281-L291 HydrophobicContact CB-CD1 4.3Å; I281-L291 HydrophobicContact CG2-CD1 3.93Å; I281-L291 HydrophobicContact CG2-CG 4.2Å
282G73.7Confident80.5Confident32 Ų3261.3 Ų61.333%0.3333%0.329SS..THydrogen-bonded Turntrans-72.711.4-174.400000115.5S280 M288S280-G282 PolarHBondContact O-N 2.74Å; G282-M288 WeakPolarHBondContact O-CG 3.4Å
283K80.6Confident80.7Confident144 Ų14465.3 Ų65.363%0.62634%0.342SS*.THydrogen-bonded Turntrans-82.5-23.6-177.9-67.7-178.8178.5178.30113.4S280 I281S280-K283 WeakPolarHBondContact O-CB 3.38Å; S280-K283 WeakPolarHBondContact O-CG 3.24Å; S280-K283 PolarHBondContact O-N 2.86Å; I281-K283 PolarHBondContact O-N 3.19Å
284D87.4Confident80.8Confident13 Ų1361.5 Ų61.57%0.0731%0.309CS..SBendtrans-122.5167179.859.164.1000112.8A200 K268 L286 G287 M288A200-D284 WeakPolarHBondContact O-CB 3.32Å; K268-D284 WeakPolarHBondContact CE-OD1 3.18Å; K268-D284 VanDerWaalsContact NZ-CG 3.28Å; K268-D284 IonicContact NZ-OD1 3.39Å; K268-D284 PolarHBondContact NZ-OD1 3.45Å; K268-D284 IonicContact NZ-OD2 2.66Å; K268-D284 PolarHBondContact NZ-OD2 3.41Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 3.23Å; D284-L286 PolarHBondContact OD1-N 3.12Å; D284-G287 PolarHBondContact O-N 2.77Å; D284-G287 PolarHBondContact OD1-N 3.38Å; D284-M288 VanDerWaalsContact C-CE 3.42Å; D284-M288 WeakPolarHBondContact O-CB 3.41Å; D284-M288 VanDerWaalsContact O-CE 3.31Å; D284-M288 WeakPolarHBondContact O-CE 3.4Å; D284-M288 WeakPolarHBondContact O-CG 3.44Å; D284-M288 PolarHBondContact O-N 3.1Å
285L88.3Confident80.8Confident4 Ų462.9 Ų62.92%0.02132%0.322CS..Hα-helixtrans-59.2-41.8-175.9170.759.5000112.1I141 V144 F145 A201 M288 M289 F313I141-L285 HydrophobicContact CG2-CD1 3.83Å; V144-L285 HydrophobicContact CB-CD1 3.82Å; V144-L285 HydrophobicContact CG1-CB 3.9Å; V144-L285 HydrophobicContact CG1-CD1 3.56Å; V144-L285 HydrophobicContact CG1-CG 4.25Å; V144-L285 HydrophobicContact CG2-CD1 3.73Å; F145-L285 HydrophobicContact CZ-CD2 4.17Å; A201-L285 HydrophobicContact CB-CB 3.94Å; A201-L285 HydrophobicContact CB-CD2 4.02Å; A201-L285 CarbonylContact O-C 3.47Å; A201-L285 WeakPolarHBondContact O-CA 3.49Å; A201-L285 WeakPolarHBondContact O-CB 3.28Å; A201-L285 PolarHBondContact O-N 3.42Å; L285-M288 PolarHBondContact O-N 3.38Å; L285-M289 HydrophobicContact CD1-CE 4.46Å; L285-M289 HydrophobicContact CD1-CG 3.87Å; L285-M289 HydrophobicContact CD1-SD 4.05Å; L285-M289 HydrophobicContact CG-CE 4.08Å; L285-M289 HydrophobicContact CG-CG 4.45Å; L285-M289 HydrophobicContact CG-SD 4.29Å; L285-M289 WeakPolarHBondContact O-CB 3.13Å; L285-M289 VanDerWaalsContact O-CG 3.28Å; L285-M289 WeakPolarHBondContact O-CG 3.26Å; L285-M289 PolarHBondContact O-N 3.44Å; L285-F313 HydrophobicContact CD1-CE2 4.4Å; L285-F313 HydrophobicContact CD2-CB 3.92Å; L285-F313 HydrophobicContact CD2-CD1 3.76Å; L285-F313 HydrophobicContact CD2-CD2 3.55Å; L285-F313 HydrophobicContact CD2-CE1 4.19Å; L285-F313 HydrophobicContact CD2-CE2 4.01Å; L285-F313 HydrophobicContact CD2-CG 3.44Å; L285-F313 VanDerWaalsContact CD2-CG 3.44Å; L285-F313 HydrophobicContact CD2-CZ 4.31Å; L285-F313 HydrophobicContact CG-CD2 4.32Å
286L91.7Very high81.6Confident0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-64.5-46.3179.8179.956000112.4A201 F202 M264 I265 K268 D284 M288 M289 L290 L306A201-L286 PolarHBondContact O-N 2.74Å; F202-L286 HydrophobicContact CD1-CB 3.93Å; F202-L286 HydrophobicContact CD1-CD2 4.27Å; M264-L286 HydrophobicContact CB-CD2 4.32Å; I265-L286 HydrophobicContact CG1-CD1 4.2Å; K268-L286 HydrophobicContact CB-CD2 3.85Å; K268-L286 HydrophobicContact CB-CG 4.23Å; K268-L286 HydrophobicContact CG-CD2 4.22Å; K268-L286 HydrophobicContact CG-CG 4.12Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 3.23Å; D284-L286 PolarHBondContact OD1-N 3.12Å; L286-M288 VanDerWaalsContact C-N 3.33Å; L286-M289 HydrophobicContact CD1-CE 4.11Å; L286-M289 PolarHBondContact O-N 3.48Å; L286-L290 HydrophobicContact CD1-CD1 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.17Å; L286-L290 WeakPolarHBondContact O-CG 3.33Å; L286-L290 PolarHBondContact O-N 3.34Å; L286-L306 HydrophobicContact CD1-CD1 4.07Å; L286-L306 HydrophobicContact CD1-CG 4.43Å
287G90.3Very high82.6Confident0 Ų058.9 Ų58.90%031%0.305CS..Hα-helixtrans-64.9-38.2175.300000112.4I281 D284 M289 L290 L291I281-G287 VanDerWaalsContact O-CA 3.29Å; I281-G287 WeakPolarHBondContact O-CA 3.39Å; D284-G287 PolarHBondContact O-N 2.77Å; D284-G287 PolarHBondContact OD1-N 3.38Å; G287-M289 PolarHBondContact O-N 3.16Å; G287-L290 PolarHBondContact O-N 2.8Å; G287-L291 WeakPolarHBondContact O-CB 3.34Å; G287-L291 VanDerWaalsContact O-CG 3.29Å; G287-L291 WeakPolarHBondContact O-CG 3.35Å; G287-L291 PolarHBondContact O-N 2.81Å
288M86.3Confident83.5Confident34 Ų3457.4 Ų57.417%0.16731%0.311CS..Hα-helixtrans-61.8-41.3172-74.6-175.8-96.500112.3V144 F153 G282 D284 L285 L286 L291 A292V144-M288 HydrophobicContact CB-CE 4.4Å; V144-M288 HydrophobicContact CB-SD 4.15Å; V144-M288 HydrophobicContact CG1-CE 3.57Å; V144-M288 HydrophobicContact CG1-SD 3.97Å; V144-M288 HydrophobicContact CG2-CB 3.69Å; V144-M288 HydrophobicContact CG2-CE 4.36Å; V144-M288 HydrophobicContact CG2-CG 4.28Å; V144-M288 HydrophobicContact CG2-SD 3.68Å; F153-M288 HydrophobicContact CZ-CE 4.46Å; G282-M288 WeakPolarHBondContact O-CG 3.4Å; D284-M288 VanDerWaalsContact C-CE 3.42Å; D284-M288 WeakPolarHBondContact O-CB 3.41Å; D284-M288 VanDerWaalsContact O-CE 3.31Å; D284-M288 WeakPolarHBondContact O-CE 3.4Å; D284-M288 WeakPolarHBondContact O-CG 3.44Å; D284-M288 PolarHBondContact O-N 3.1Å; L285-M288 PolarHBondContact O-N 3.38Å; L286-M288 VanDerWaalsContact C-N 3.33Å; M288-L291 PolarHBondContact O-N 2.91Å; M288-A292 WeakPolarHBondContact O-CB 3.3Å; M288-A292 PolarHBondContact O-N 2.83Å
289M89.9Confident84.6Confident3 Ų355.2 Ų55.22%0.01531%0.307CS..Hα-helixtrans-66.2-38176.1-73.2-172.2-56.700112.8I141 L285 L286 G287 L291 A292 L301 L306 E309 F313I141-M289 HydrophobicContact CD1-SD 4.27Å; I141-M289 HydrophobicContact CG1-CG 4.19Å; I141-M289 HydrophobicContact CG1-SD 4.29Å; L285-M289 HydrophobicContact CD1-CE 4.46Å; L285-M289 HydrophobicContact CD1-CG 3.87Å; L285-M289 HydrophobicContact CD1-SD 4.05Å; L285-M289 HydrophobicContact CG-CE 4.08Å; L285-M289 HydrophobicContact CG-CG 4.45Å; L285-M289 HydrophobicContact CG-SD 4.29Å; L285-M289 WeakPolarHBondContact O-CB 3.13Å; L285-M289 VanDerWaalsContact O-CG 3.28Å; L285-M289 WeakPolarHBondContact O-CG 3.26Å; L285-M289 PolarHBondContact O-N 3.44Å; L286-M289 HydrophobicContact CD1-CE 4.11Å; L286-M289 PolarHBondContact O-N 3.48Å; G287-M289 PolarHBondContact O-N 3.16Å; M289-L291 VanDerWaalsContact C-N 3.34Å; M289-A292 WeakPolarHBondContact O-CB 3.33Å; M289-A292 PolarHBondContact O-N 3.46Å; M289-L301 HydrophobicContact CB-CD1 4.16Å; M289-L301 HydrophobicContact CG-CD1 4.5Å; M289-L306 HydrophobicContact CB-CD1 3.76Å; M289-L306 HydrophobicContact CE-CD1 4.36Å; M289-E309 HydrophobicContact SD-CB 3.82Å; M289-F313 HydrophobicContact CE-CD2 4.3Å; M289-F313 HydrophobicContact SD-CD2 4.04Å; M289-F313 HydrophobicContact SD-CE2 3.83Å
290L89.4Confident85.6Confident25 Ų2550.4 Ų50.413%0.13129%0.286CS..Hα-helixtrans-65.1-37.7175.7-81.4160.1000112.5K268 R269 M272 L286 G287 R293 L306K268-L290 HydrophobicContact CB-CD1 3.86Å; K268-L290 HydrophobicContact CG-CD1 3.38Å; R269-L290 HydrophobicContact CG-CD2 4.29Å; M272-L290 HydrophobicContact CE-CB 4.47Å; M272-L290 HydrophobicContact SD-CB 3.75Å; M272-L290 HydrophobicContact SD-CD1 3.81Å; M272-L290 HydrophobicContact SD-CD2 4.24Å; M272-L290 HydrophobicContact SD-CG 4.16Å; L286-L290 HydrophobicContact CD1-CD1 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.17Å; L286-L290 WeakPolarHBondContact O-CG 3.33Å; L286-L290 PolarHBondContact O-N 3.34Å; G287-L290 PolarHBondContact O-N 2.8Å; L290-R293 PolarHBondContact O-NH1 3.41Å; L290-R293 VanDerWaalsContact O-NH1 3.1Å; L290-L306 HydrophobicContact CD2-CD2 3.38Å; L290-L306 HydrophobicContact CG-CD1 4.36Å; L290-L306 HydrophobicContact CG-CD2 3.91Å
291L86.9Confident86.4Confident79 Ų7949.1 Ų49.141%0.41428%0.276SS..Hα-helixtrans-82.6-18.1178.7-66.1172.9000112.9M272 I281 G287 M288 M289M272-L291 HydrophobicContact CE-CD2 3.58Å; M272-L291 HydrophobicContact CE-CG 4.28Å; I281-L291 HydrophobicContact CB-CD1 4.3Å; I281-L291 HydrophobicContact CG2-CD1 3.93Å; I281-L291 HydrophobicContact CG2-CG 4.2Å; G287-L291 WeakPolarHBondContact O-CB 3.34Å; G287-L291 VanDerWaalsContact O-CG 3.29Å; G287-L291 WeakPolarHBondContact O-CG 3.35Å; G287-L291 PolarHBondContact O-N 2.81Å; M288-L291 PolarHBondContact O-N 2.91Å; M289-L291 VanDerWaalsContact C-N 3.34Å
292A85.5Confident87.2Confident17 Ų1751.2 Ų51.214%0.1429%0.291CS..  trans-60.6138.9-177.400000111.5L140 M288 M289L140-A292 HydrophobicContact CB-CB 4.42Å; L140-A292 HydrophobicContact CD2-CB 4.17Å; M288-A292 WeakPolarHBondContact O-CB 3.3Å; M288-A292 PolarHBondContact O-N 2.83Å; M289-A292 WeakPolarHBondContact O-CB 3.33Å; M289-A292 PolarHBondContact O-N 3.46Å
293R87.7Confident88.1Confident133 Ų13353.7 Ų53.750%0.50230%0.302SS..  trans-134.1138.5173.8-63.5-65-176.9-87.62.9108L140 L290 P295 G298 E299L140-R293 WeakPolarHBondContact CD2-O 3.22Å; L290-R293 PolarHBondContact O-NH1 3.41Å; L290-R293 VanDerWaalsContact O-NH1 3.1Å; R293-P295 WeakPolarHBondContact O-CD 3.32Å; R293-G298 WeakPolarHBondContact CD-O 3.41Å; R293-E299 CarbonylContact C-O 3.57Å; R293-E299 WeakPolarHBondContact CA-O 3.46Å
294D85.3Confident88.7Confident9 Ų949.6 Ų49.65%0.04829%0.291CS..  trans-65.7126.1177-170.6-75.5000109R136 K139 L140 D296 T297 G298 E299R136-D294 WeakPolarHBondContact CG-OD2 3.34Å; K139-D294 IonicContact NZ-OD1 3.69Å; L140-D294 HydrophobicContact CD2-CB 4.23Å; D294-D296 PolarHBondContact O-N 2.99Å; D294-D296 WeakPolarHBondContact OD1-CA 3.37Å; D294-D296 VanDerWaalsContact OD1-CB 3.32Å; D294-D296 WeakPolarHBondContact OD1-CB 3.4Å; D294-D296 PolarHBondContact OD1-N 2.95Å; D294-T297 WeakPolarHBondContact CB-OG1 3.19Å; D294-T297 PolarHBondContact OD1-N 3.37Å; D294-T297 VanDerWaalsContact OD1-N 3.12Å; D294-G298 WeakPolarHBondContact O-CA 3.46Å; D294-G298 PolarHBondContact O-N 2.92Å; D294-E299 PolarHBondContact N-O 3.19Å
295P83.9Confident89Confident99 Ų9949.9 Ų49.964%0.64329%0.292SS*.THydrogen-bonded Turntrans-62.9-24.4-178.9-2534.4000114.4R293R293-P295 WeakPolarHBondContact O-CD 3.32Å
296D87Confident89.2Confident128 Ų12849.9 Ų49.968%0.68429%0.292SS*.THydrogen-bonded Turntrans-93-39.2-174.9-49.2-22.2000110.6K139 D294K139-D296 IonicContact NZ-OD1 2.93Å; K139-D296 PolarHBondContact NZ-OD1 2.88Å; K139-D296 IonicContact NZ-OD2 2.81Å; K139-D296 PolarHBondContact NZ-OD2 3.15Å; D294-D296 PolarHBondContact O-N 2.99Å; D294-D296 WeakPolarHBondContact OD1-CA 3.37Å; D294-D296 VanDerWaalsContact OD1-CB 3.32Å; D294-D296 WeakPolarHBondContact OD1-CB 3.4Å; D294-D296 PolarHBondContact OD1-N 2.95Å
297T89.2Confident89.4Confident85 Ų8552.6 Ų52.652%0.52130%0.304SS..THydrogen-bonded Turntrans-107-17-176.569.70000114.8D294 E299D294-T297 WeakPolarHBondContact CB-OG1 3.19Å; D294-T297 PolarHBondContact OD1-N 3.37Å; D294-T297 VanDerWaalsContact OD1-N 3.12Å; T297-E299 PolarHBondContact O-N 3.01Å; T297-E299 WeakPolarHBondContact OG1-CB 3.37Å; T297-E299 WeakPolarHBondContact OG1-CG 3.37Å; T297-E299 PolarHBondContact OG1-N 3.12Å
298G88.3Confident89.5Confident49 Ų4954 Ų5451%0.50531%0.312SS..  trans721.4-171.300000114.3R293 D294R293-G298 WeakPolarHBondContact CD-O 3.41Å; D294-G298 WeakPolarHBondContact O-CA 3.46Å; D294-G298 PolarHBondContact O-N 2.92Å
299E88.7Confident89.9Confident104 Ų10452.4 Ų52.449%0.48630%0.304SS..PPolyproline II helixtrans-74144.6-177.3-67.1177.616200112R136 R293 D294 T297R136-E299 IonicContact NH1-OE2 3.89Å; R136-E299 PolarHBondContact NH1-OE2 3.3Å; R293-E299 CarbonylContact C-O 3.57Å; R293-E299 WeakPolarHBondContact CA-O 3.46Å; D294-E299 PolarHBondContact N-O 3.19Å; T297-E299 PolarHBondContact O-N 3.01Å; T297-E299 WeakPolarHBondContact OG1-CB 3.37Å; T297-E299 WeakPolarHBondContact OG1-CG 3.37Å; T297-E299 PolarHBondContact OG1-N 3.12Å
300S89.4Confident90.1Very high56 Ų5652.3 Ų52.339%0.39230%0.303SS..PPolyproline II helixtrans-92.3165.4168.561.20000111.3S302S300-S302 PolarHBondContact O-N 3.35Å
301L90.4Very high90.3Very high16 Ų1651.5 Ų51.58%0.08430%0.299CS..PPolyproline II helixtrans-58.1135.3165.1-65.1171.6000110.1L140 M289 E305 L306L140-L301 HydrophobicContact CD1-CD2 3.91Å; L140-L301 HydrophobicContact CD1-CG 4.21Å; M289-L301 HydrophobicContact CB-CD1 4.16Å; M289-L301 HydrophobicContact CG-CD1 4.5Å; L301-E305 WeakPolarHBondContact CA-OE2 3.37Å; L301-E305 HydrophobicContact CB-CB 4.21Å; L301-E305 HydrophobicContact CD2-CB 4.09Å; L301-L306 HydrophobicContact CB-CB 4.42Å; L301-L306 HydrophobicContact CD1-CD1 4.3Å
302S92.5Very high90.6Very high46 Ų4647.9 Ų47.932%0.32228%0.28SS..PPolyproline II helixtrans-65.2167.4170.989.80000110.8S300 S304 E305 L306S300-S302 PolarHBondContact O-N 3.35Å; S302-S304 VanDerWaalsContact C-N 3.28Å; S302-S304 PolarHBondContact O-N 3.39Å; S302-S304 PolarHBondContact OG-N 3.19Å; S302-S304 PolarHBondContact OG-OG 2.68Å; S302-E305 PolarHBondContact N-OE2 3.46Å; S302-E305 PolarHBondContact O-N 3.5Å; S302-E305 VanDerWaalsContact OG-CG 3.29Å; S302-E305 WeakPolarHBondContact OG-CG 3.42Å; S302-E305 PolarHBondContact OG-N 2.86Å; S302-E305 VanDerWaalsContact OG-N 3.09Å; S302-L306 WeakPolarHBondContact O-CB 3.47Å; S302-L306 PolarHBondContact O-N 2.99Å
303C91.8Very high91Very high84 Ų8447.8 Ų47.857%0.56828%0.276SS*.Hα-helixtrans-60-37.3174.4-71.10000112.7R269 K307R269-C303 PolarHBondContact NH2-SG 3.13Å; C303-K307 WeakPolarHBondContact O-CB 3.32Å; C303-K307 PolarHBondContact O-N 3.46Å
304S92.6Very high91.2Very high57 Ų5741.4 Ų41.440%0.39925%0.252SS..Hα-helixtrans-71.5-44.6178.261.30000110.9E124 S302 L306 K307 D308E124-S304 VanDerWaalsContact OE2-CB 3.27Å; E124-S304 WeakPolarHBondContact OE2-CB 3.48Å; E124-S304 PolarHBondContact OE2-OG 3.47Å; S302-S304 VanDerWaalsContact C-N 3.28Å; S302-S304 PolarHBondContact O-N 3.39Å; S302-S304 PolarHBondContact OG-N 3.19Å; S302-S304 PolarHBondContact OG-OG 2.68Å; S304-L306 PolarHBondContact O-N 3.33Å; S304-K307 WeakPolarHBondContact O-CB 3.48Å; S304-K307 PolarHBondContact O-N 3.24Å; S304-K307 VanDerWaalsContact O-N 3.17Å; S304-D308 PolarHBondContact O-N 2.94Å
305E93.7Very high91.5Very high20 Ų2041 Ų419%0.09325%0.25CS..Hα-helixtrans-61.5-44.9178.7-68.6167.7172.600111.3E124 R136 H137 L301 S302 K307 D308 E309E124-E305 HydrophobicContact CB-CG 4.29Å; R136-E305 IonicContact CZ-OE1 3.44Å; R136-E305 IonicContact NH2-OE1 3.6Å; R136-E305 PolarHBondContact NH2-OE1 2.71Å; R136-E305 IonicContact NH2-OE2 2.88Å; R136-E305 PolarHBondContact NH2-OE2 3.12Å; R136-E305 VanDerWaalsContact NH2-OE2 3.14Å; H137-E305 IonicContact NE2-OE2 3.08Å; L301-E305 WeakPolarHBondContact CA-OE2 3.37Å; L301-E305 HydrophobicContact CB-CB 4.21Å; L301-E305 HydrophobicContact CD2-CB 4.09Å; S302-E305 PolarHBondContact N-OE2 3.46Å; S302-E305 PolarHBondContact O-N 3.5Å; S302-E305 VanDerWaalsContact OG-CG 3.29Å; S302-E305 WeakPolarHBondContact OG-CG 3.42Å; S302-E305 PolarHBondContact OG-N 2.86Å; S302-E305 VanDerWaalsContact OG-N 3.09Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 3.31Å; E305-D308 PolarHBondContact O-N 3Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 WeakPolarHBondContact O-CG 3.39Å; E305-E309 PolarHBondContact O-N 3.08Å
306L93.8Very high91.8Very high4 Ų438 Ų382%0.02123%0.234CC..Hα-helixtrans-61.4-40.9176.5-177.370.5000111.8I265 L286 M289 L290 L301 S302 S304 T310I265-L306 HydrophobicContact CD1-CG 4.41Å; I265-L306 HydrophobicContact CG1-CD2 4.5Å; I265-L306 HydrophobicContact CG2-CD2 3.92Å; L286-L306 HydrophobicContact CD1-CD1 4.07Å; L286-L306 HydrophobicContact CD1-CG 4.43Å; M289-L306 HydrophobicContact CB-CD1 3.76Å; M289-L306 HydrophobicContact CE-CD1 4.36Å; L290-L306 HydrophobicContact CD2-CD2 3.38Å; L290-L306 HydrophobicContact CG-CD1 4.36Å; L290-L306 HydrophobicContact CG-CD2 3.91Å; L301-L306 HydrophobicContact CB-CB 4.42Å; L301-L306 HydrophobicContact CD1-CD1 4.3Å; S302-L306 WeakPolarHBondContact O-CB 3.47Å; S302-L306 PolarHBondContact O-N 2.99Å; S304-L306 PolarHBondContact O-N 3.33Å; L306-T310 VanDerWaalsContact O-CB 3.31Å; L306-T310 WeakPolarHBondContact O-CB 3.4Å; L306-T310 PolarHBondContact O-N 2.76Å; L306-T310 PolarHBondContact O-OG1 2.81Å
307K94.4Very high92Very high57 Ų5732.6 Ų32.625%0.24821%0.208CC..Hα-helixtrans-64.5-47177.7178172.3178.5160.20111.4S258 V261 D262 I265 C303 S304 E305 E309 T310 M311S258-K307 VanDerWaalsContact OG-CE 3.28Å; S258-K307 WeakPolarHBondContact OG-CE 3.42Å; S258-K307 PolarHBondContact OG-NZ 3.33Å; V261-K307 HydrophobicContact CG1-CG 3.99Å; D262-K307 WeakPolarHBondContact OD1-CD 3.25Å; D262-K307 WeakPolarHBondContact OD1-CE 3.31Å; D262-K307 IonicContact OD1-NZ 2.89Å; D262-K307 PolarHBondContact OD1-NZ 2.6Å; D262-K307 IonicContact OD2-NZ 3.68Å; D262-K307 PolarHBondContact OD2-NZ 3.3Å; I265-K307 HydrophobicContact CD1-CB 4.08Å; C303-K307 WeakPolarHBondContact O-CB 3.32Å; C303-K307 PolarHBondContact O-N 3.46Å; S304-K307 WeakPolarHBondContact O-CB 3.48Å; S304-K307 PolarHBondContact O-N 3.24Å; S304-K307 VanDerWaalsContact O-N 3.17Å; E305-K307 VanDerWaalsContact C-N 3.31Å; E305-K307 PolarHBondContact O-N 3.31Å; K307-E309 VanDerWaalsContact C-N 3.34Å; K307-E309 PolarHBondContact O-N 3.15Å; K307-T310 PolarHBondContact O-N 2.74Å; K307-M311 WeakPolarHBondContact O-CB 3.49Å; K307-M311 PolarHBondContact O-N 2.99Å
308D93.9Very high92.2Very high30 Ų3028.6 Ų28.616%0.1618%0.183CC..Hα-helixtrans-63.7-38.7178.2-82.515000111.6G122 N123 E124 S304 E305 T312G122-D308 VanDerWaalsContact C-OD2 3.26Å; G122-D308 WeakPolarHBondContact CA-OD1 3.46Å; G122-D308 WeakPolarHBondContact CA-OD2 3.36Å; N123-D308 PolarHBondContact N-OD2 3.38Å; E124-D308 HydrophobicContact CB-CB 4.27Å; E124-D308 PolarHBondContact N-OD2 3.35Å; S304-D308 PolarHBondContact O-N 2.94Å; E305-D308 PolarHBondContact O-N 3Å; D308-T312 WeakPolarHBondContact O-CB 3.47Å; D308-T312 PolarHBondContact O-N 2.98Å; D308-T312 PolarHBondContact O-OG1 2.79Å
309E93.9Very high92.2Very high0 Ų026.3 Ų26.30%016%0.16CC..Hα-helixtrans-68.9-41.8174-71.1-60.5163.300112.2G125 L126 H137 I141 M289 E305 K307 M311 T312 F313G125-E309 VanDerWaalsContact CA-OE1 3.27Å; G125-E309 WeakPolarHBondContact CA-OE1 3.21Å; L126-E309 PolarHBondContact N-OE1 2.81Å; L126-E309 PolarHBondContact N-OE2 3.1Å; H137-E309 IonicContact CE1-OE1 2.64Å; H137-E309 IonicContact CG-OE1 3.8Å; H137-E309 IonicContact ND1-OE1 3.14Å; H137-E309 PolarHBondContact ND1-OE1 3.24Å; I141-E309 HydrophobicContact CD1-CG 4.05Å; M289-E309 HydrophobicContact SD-CB 3.82Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 WeakPolarHBondContact O-CG 3.39Å; E305-E309 PolarHBondContact O-N 3.08Å; K307-E309 VanDerWaalsContact C-N 3.34Å; K307-E309 PolarHBondContact O-N 3.15Å; E309-M311 VanDerWaalsContact C-N 3.32Å; E309-M311 PolarHBondContact O-N 2.88Å; E309-T312 WeakPolarHBondContact O-CA 3.36Å; E309-T312 VanDerWaalsContact O-CB 3.3Å; E309-T312 WeakPolarHBondContact O-CB 3.46Å; E309-T312 PolarHBondContact O-N 3.47Å; E309-T312 VanDerWaalsContact O-N 3.14Å; E309-F313 HydrophobicContact CB-CE2 4.38Å; E309-F313 WeakPolarHBondContact O-CD2 3.45Å; E309-F313 PolarHBondContact O-N 2.93Å
310T94.4Very high92.5Very high0 Ų023.2 Ų23.20%015%0.148CC..Hα-helixtrans-61-44.7176.6-56.80000110.7F202 V261 M264 I265 L306 K307 T312 L314F202-T310 HydrophobicContact CD1-CG2 3.85Å; F202-T310 HydrophobicContact CE1-CG2 3.53Å; F202-T310 HydrophobicContact CZ-CG2 4.26Å; F202-T310 WeakPolarHBondContact CZ-O 3.4Å; V261-T310 HydrophobicContact CG1-CG2 3.7Å; V261-T310 HydrophobicContact CG2-CG2 4.4Å; M264-T310 HydrophobicContact CE-CG2 3.98Å; I265-T310 HydrophobicContact CD1-CG2 4.47Å; I265-T310 HydrophobicContact CG1-CG2 4.36Å; L306-T310 VanDerWaalsContact O-CB 3.31Å; L306-T310 WeakPolarHBondContact O-CB 3.4Å; L306-T310 PolarHBondContact O-N 2.76Å; L306-T310 PolarHBondContact O-OG1 2.81Å; K307-T310 PolarHBondContact O-N 2.74Å; T310-T312 VanDerWaalsContact C-N 3.34Å; T310-L314 VanDerWaalsContact O-CB 3.32Å; T310-L314 WeakPolarHBondContact O-CB 3.49Å; T310-L314 PolarHBondContact O-N 2.83Å
311M93.5Very high92.8Very high8 Ų820.8 Ų20.84%0.03913%0.131CC..Hα-helixtrans-63.2-40.4174.1-175.766.476.400112F120 I121 I257 V261 K307 E309 T315F120-M311 HydrophobicContact CD2-SD 4.25Å; F120-M311 HydrophobicContact CE2-SD 4.25Å; F120-M311 WeakPolarHBondContact O-CG 3.41Å; I121-M311 WeakPolarHBondContact O-CB 3.47Å; I121-M311 VanDerWaalsContact O-CG 3.3Å; I121-M311 WeakPolarHBondContact O-CG 3.39Å; I257-M311 HydrophobicContact CB-CE 4.38Å; I257-M311 HydrophobicContact CG2-CE 3.75Å; I257-M311 HydrophobicContact CG2-SD 3.48Å; I257-M311 WeakPolarHBondContact CG2-SD 3.27Å; V261-M311 HydrophobicContact CB-CE 4.3Å; V261-M311 HydrophobicContact CG2-CB 4.38Å; V261-M311 HydrophobicContact CG2-CE 3.72Å; V261-M311 HydrophobicContact CG2-SD 3.99Å; K307-M311 WeakPolarHBondContact O-CB 3.49Å; K307-M311 PolarHBondContact O-N 2.99Å; E309-M311 VanDerWaalsContact C-N 3.32Å; E309-M311 PolarHBondContact O-N 2.88Å; M311-T315 WeakPolarHBondContact O-CB 3.38Å; M311-T315 PolarHBondContact O-N 3.43Å; M311-T315 PolarHBondContact O-OG1 3.03Å
312T92.5Very high93.1Very high4 Ų420 Ų203%0.02513%0.127CC..Hα-helixtrans-57-54.7175.7-74.10000111.5L126 V127 D308 E309 T310 T315 A316L126-T312 HydrophobicContact CB-CG2 4.39Å; V127-T312 HydrophobicContact CB-CG2 4.35Å; V127-T312 HydrophobicContact CG2-CG2 3.48Å; V127-T312 VanDerWaalsContact CG2-CG2 3.48Å; D308-T312 WeakPolarHBondContact O-CB 3.47Å; D308-T312 PolarHBondContact O-N 2.98Å; D308-T312 PolarHBondContact O-OG1 2.79Å; E309-T312 WeakPolarHBondContact O-CA 3.36Å; E309-T312 VanDerWaalsContact O-CB 3.3Å; E309-T312 WeakPolarHBondContact O-CB 3.46Å; E309-T312 PolarHBondContact O-N 3.47Å; E309-T312 VanDerWaalsContact O-N 3.14Å; T310-T312 VanDerWaalsContact C-N 3.34Å; T312-T315 PolarHBondContact O-N 2.88Å; T312-A316 WeakPolarHBondContact O-CB 3.04Å; T312-A316 PolarHBondContact O-N 3.3Å
313F93.5Very high93.2Very high14 Ų1417.9 Ų17.96%0.06111%0.112CC..Hα-helixtrans-69.2-36.9-177.7-71.6-64.6000112.8L126 I141 F145 F202 L285 M289 E309 G317 I451L126-F313 HydrophobicContact CD1-CZ 3.89Å; I141-F313 HydrophobicContact CD1-CE2 3.89Å; I141-F313 HydrophobicContact CD1-CZ 4.09Å; I141-F313 HydrophobicContact CG2-CE2 4.03Å; I141-F313 HydrophobicContact CG2-CZ 3.6Å; F145-F313 HydrophobicContact CE2-CD1 4.5Å; F145-F313 AromaticContact CE2-CE1 3.68Å; F145-F313 HydrophobicContact CE2-CE1 3.68Å; F145-F313 HydrophobicContact CE2-CZ 4.07Å; F145-F313 AromaticContact CZ-CD1 3.99Å; F145-F313 HydrophobicContact CZ-CD1 3.99Å; F145-F313 AromaticContact CZ-CE1 3.58Å; F145-F313 HydrophobicContact CZ-CE1 3.58Å; F145-F313 HydrophobicContact CZ-CZ 4.36Å; F202-F313 HydrophobicContact CE1-CB 4.46Å; F202-F313 HydrophobicContact CZ-CB 3.83Å; L285-F313 HydrophobicContact CD1-CE2 4.4Å; L285-F313 HydrophobicContact CD2-CB 3.92Å; L285-F313 HydrophobicContact CD2-CD1 3.76Å; L285-F313 HydrophobicContact CD2-CD2 3.55Å; L285-F313 HydrophobicContact CD2-CE1 4.19Å; L285-F313 HydrophobicContact CD2-CE2 4.01Å; L285-F313 HydrophobicContact CD2-CG 3.44Å; L285-F313 VanDerWaalsContact CD2-CG 3.44Å; L285-F313 HydrophobicContact CD2-CZ 4.31Å; L285-F313 HydrophobicContact CG-CD2 4.32Å; M289-F313 HydrophobicContact CE-CD2 4.3Å; M289-F313 HydrophobicContact SD-CD2 4.04Å; M289-F313 HydrophobicContact SD-CE2 3.83Å; E309-F313 HydrophobicContact CB-CE2 4.38Å; E309-F313 WeakPolarHBondContact O-CD2 3.45Å; E309-F313 PolarHBondContact O-N 2.93Å; F313-G317 WeakPolarHBondContact O-CA 2.9Å; F313-G317 PolarHBondContact O-N 2.85Å; F313-I451 HydrophobicContact CE1-CG2 3.91Å; F313-I451 HydrophobicContact CZ-CG2 4.39Å
314L93.3Very high93.5Very high0 Ų013.9 Ų13.90%09%0.085CC..Hα-helixtrans-62-46.5176.2-176.365.3000110.6L194 I197 F202 F206 F219 I257 V261 M264 T310 H318L194-L314 HydrophobicContact CD1-CD1 3.79Å; I197-L314 HydrophobicContact CG2-CD1 3.89Å; F202-L314 HydrophobicContact CD2-CD1 4.29Å; F202-L314 HydrophobicContact CE2-CB 3.84Å; F202-L314 HydrophobicContact CE2-CD1 3.8Å; F202-L314 HydrophobicContact CE2-CG 4.43Å; F202-L314 HydrophobicContact CZ-CB 3.95Å; F206-L314 HydrophobicContact CE2-CD1 4.15Å; F206-L314 HydrophobicContact CZ-CD1 3.99Å; F219-L314 HydrophobicContact CE2-CD2 3.94Å; F219-L314 HydrophobicContact CE2-CG 4.1Å; F219-L314 HydrophobicContact CZ-CD2 3.6Å; F219-L314 HydrophobicContact CZ-CG 3.69Å; I257-L314 HydrophobicContact CG2-CD2 4.39Å; V261-L314 HydrophobicContact CG2-CD2 3.98Å; M264-L314 HydrophobicContact CE-CD2 3.89Å; T310-L314 VanDerWaalsContact O-CB 3.32Å; T310-L314 WeakPolarHBondContact O-CB 3.49Å; T310-L314 PolarHBondContact O-N 2.83Å; L314-H318 WeakPolarHBondContact O-CB 3.45Å; L314-H318 PolarHBondContact O-N 2.91Å
315T90.1Very high93.8Very high1 Ų111.1 Ų11.11%0.0067%0.066CC..Hα-helixtrans-72.6-47.4-178.8-50.50000111.8F120 I121 F219 T223 M311 T312 E319F120-T315 HydrophobicContact CZ-CG2 3.99Å; I121-T315 HydrophobicContact CD1-CG2 3.89Å; I121-T315 HydrophobicContact CG1-CG2 4.07Å; F219-T315 HydrophobicContact CD1-CG2 4.48Å; F219-T315 HydrophobicContact CE1-CG2 4.2Å; T223-T315 HydrophobicContact CG2-CG2 4.41Å; M311-T315 WeakPolarHBondContact O-CB 3.38Å; M311-T315 PolarHBondContact O-N 3.43Å; M311-T315 PolarHBondContact O-OG1 3.03Å; T312-T315 PolarHBondContact O-N 2.88Å; T315-E319 PolarHBondContact O-N 3.42Å
316A91.2Very high94Very high35 Ų3510.2 Ų10.229%0.2896%0.061SC..Hα-helixtrans-71.2-41-174.600000112.2T312 T320T312-A316 WeakPolarHBondContact O-CB 3.04Å; T312-A316 PolarHBondContact O-N 3.3Å; A316-T320 WeakPolarHBondContact O-CB 3.4Å; A316-T320 WeakPolarHBondContact O-CG2 3.41Å; A316-T320 PolarHBondContact O-OG1 3.14Å
317G91.6Very high94.1Very high15 Ų1510.2 Ų10.216%0.1556%0.061CC..Hα-helixtrans-75.5-27-178.800000114.1F313 T321F313-G317 WeakPolarHBondContact O-CA 2.9Å; F313-G317 PolarHBondContact O-N 2.85Å; G317-T321 WeakPolarHBondContact O-CB 3.46Å; G317-T321 PolarHBondContact O-OG1 3.08Å
318H92Very high94.3Very high0 Ų07.5 Ų7.50%05%0.049CC..Hα-helixtrans-79.4-67.9179.3166.5-133.4000112.1S190 T193 L194 I197 F219 L314 T320 S322S190-H318 PolarHBondContact O-CD2 2.97Å; S190-H318 PolarHBondContact O-NE2 2.96Å; S190-H318 PolarHBondContact OG-CE1 2.88Å; S190-H318 VanDerWaalsContact OG-CE1 3.27Å; S190-H318 PolarHBondContact OG-NE2 2.82Å; T193-H318 PolarHBondContact OG1-CD2 3.08Å; T193-H318 VanDerWaalsContact OG1-CD2 3.31Å; T193-H318 PolarHBondContact OG1-O 2.79Å; L194-H318 HydrophobicContact CD1-CB 4.39Å; L194-H318 PolarHBondContact N-CD2 3.22Å; L194-H318 VanDerWaalsContact N-CD2 3.34Å; I197-H318 HydrophobicContact CG2-CB 4.21Å; F219-H318 AromaticContact CD2-ND1 3.95Å; F219-H318 AromaticContact CG-ND1 3.7Å; L314-H318 WeakPolarHBondContact O-CB 3.45Å; L314-H318 PolarHBondContact O-N 2.91Å; H318-T320 PolarHBondContact O-N 2.78Å; H318-S322 WeakPolarHBondContact O-CB 3.46Å; H318-S322 PolarHBondContact O-N 3.06Å
319E89.3Confident94.6Very high1 Ų16 Ų61%0.0054%0.041CC..Hα-helixtrans-70.1-39.4-165.8-171.872-166.800111.5T223 T315 S322 L323 T488T223-E319 HydrophobicContact CG2-CG 4.34Å; T223-E319 VanDerWaalsContact OG1-CD 3.25Å; T223-E319 PolarHBondContact OG1-OE1 3.07Å; T223-E319 PolarHBondContact OG1-OE2 2.78Å; T315-E319 PolarHBondContact O-N 3.42Å; E319-S322 PolarHBondContact O-N 2.96Å; E319-L323 HydrophobicContact CG-CD1 3.96Å; E319-L323 HydrophobicContact CG-CG 4.47Å; E319-L323 WeakPolarHBondContact O-CB 3.21Å; E319-L323 WeakPolarHBondContact O-CG 3.3Å; E319-L323 PolarHBondContact O-N 3.26Å; E319-T488 HydrophobicContact CG-CG2 4.13Å
320T94.1Very high94.8Very high40 Ų406.5 Ų6.525%0.2454%0.044CC..Hα-helixtrans-67-41.6-17767.10000111.9A316 H318 L323 G324 P379 T488A316-T320 WeakPolarHBondContact O-CB 3.4Å; A316-T320 WeakPolarHBondContact O-CG2 3.41Å; A316-T320 PolarHBondContact O-OG1 3.14Å; H318-T320 PolarHBondContact O-N 2.78Å; T320-L323 PolarHBondContact O-N 2.78Å; T320-G324 PolarHBondContact O-N 3.42Å; T320-P379 WeakPolarHBondContact O-CG 3.43Å; T320-T488 HydrophobicContact CG2-CG2 4.14Å
321T96.7Very high94.9Very high5 Ų57.7 Ų7.73%0.0315%0.049CC..Hα-helixtrans-69.3-41.7178.1-48.30000111.4T193 G317 L323 G324 L325 E459 L460T193-T321 HydrophobicContact CG2-CG2 4.13Å; G317-T321 WeakPolarHBondContact O-CB 3.46Å; G317-T321 PolarHBondContact O-OG1 3.08Å; T321-L323 VanDerWaalsContact C-N 3.26Å; T321-L323 PolarHBondContact O-N 2.89Å; T321-G324 PolarHBondContact O-N 2.91Å; T321-G324 VanDerWaalsContact O-N 3.15Å; T321-L325 HydrophobicContact CG2-CD1 4.39Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 2.96Å; T321-E459 HydrophobicContact CG2-CB 4.25Å; T321-E459 HydrophobicContact CG2-CG 3.91Å; T321-E459 WeakPolarHBondContact CG2-OE2 3.49Å; T321-L460 HydrophobicContact CG2-CD2 4.44Å; T321-L460 HydrophobicContact CG2-CG 4.11Å
322S96.2Very high95.2Very high0 Ų07.3 Ų7.30%05%0.047CC..Hα-helixtrans-54.7-44.21741770000111.9S190 T193 H318 E319 L325 S326S190-S322 VanDerWaalsContact CA-OG 3.29Å; S190-S322 WeakPolarHBondContact CA-OG 3.32Å; S190-S322 PolarHBondContact N-OG 2.96Å; S190-S322 VanDerWaalsContact N-OG 3.1Å; T193-S322 WeakPolarHBondContact OG1-CB 3.34Å; H318-S322 WeakPolarHBondContact O-CB 3.46Å; H318-S322 PolarHBondContact O-N 3.06Å; E319-S322 PolarHBondContact O-N 2.96Å; S322-L325 PolarHBondContact O-N 3.27Å; S322-S326 WeakPolarHBondContact O-CB 3.49Å; S322-S326 PolarHBondContact O-N 2.92Å; S322-S326 PolarHBondContact O-OG 3.38Å
323L95.3Very high95.5Very high0 Ų07.2 Ų7.20%05%0.046CC..Hα-helixtrans-71.9-37.3179-66.8174.5000112.2K186 E319 T320 T321 L325 S326 W327 P379 T488 S490K186-L323 HydrophobicContact CD-CD2 4.07Å; E319-L323 HydrophobicContact CG-CD1 3.96Å; E319-L323 HydrophobicContact CG-CG 4.47Å; E319-L323 WeakPolarHBondContact O-CB 3.21Å; E319-L323 WeakPolarHBondContact O-CG 3.3Å; E319-L323 PolarHBondContact O-N 3.26Å; T320-L323 PolarHBondContact O-N 2.78Å; T321-L323 VanDerWaalsContact C-N 3.26Å; T321-L323 PolarHBondContact O-N 2.89Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 3.26Å; L323-S326 PolarHBondContact O-N 3.4Å; L323-W327 WeakPolarHBondContact O-CB 3.42Å; L323-W327 PolarHBondContact O-N 3.45Å; L323-P379 HydrophobicContact CB-CB 4.07Å; L323-P379 HydrophobicContact CB-CG 4.2Å; L323-T488 VanDerWaalsContact CD1-CB 3.42Å; L323-T488 HydrophobicContact CD1-CG2 4.12Å; L323-T488 WeakPolarHBondContact CD1-OG1 3.29Å; L323-S490 VanDerWaalsContact CD2-CB 3.49Å
324G97.6Very high95.7Very high0 Ų010.7 Ų10.70%07%0.065CC..Hα-helixtrans-58.4-45171.600000112.1T320 T321 T328 L460T320-G324 PolarHBondContact O-N 3.42Å; T321-G324 PolarHBondContact O-N 2.91Å; T321-G324 VanDerWaalsContact O-N 3.15Å; G324-T328 WeakPolarHBondContact O-CB 3.25Å; G324-T328 PolarHBondContact O-N 2.86Å; G324-T328 PolarHBondContact O-OG1 3.18Å; G324-L460 VanDerWaalsContact C-CD2 3.49Å
325L98.5Very high95.9Very high0 Ų013.7 Ų13.70%08%0.079CC..Hα-helixtrans-62.4-46.5174.4-73.6166.1000111.1L189 T193 T321 S322 L323 W327 T328 L329 L460 V463 L464L189-L325 HydrophobicContact CD1-CB 3.66Å; L189-L325 HydrophobicContact CD2-CB 4.09Å; L189-L325 HydrophobicContact CD2-CD1 4.1Å; L189-L325 HydrophobicContact CG-CB 4.33Å; T193-L325 HydrophobicContact CG2-CD1 3.62Å; T321-L325 HydrophobicContact CG2-CD1 4.39Å; T321-L325 WeakPolarHBondContact O-CG 3.37Å; T321-L325 PolarHBondContact O-N 2.96Å; S322-L325 PolarHBondContact O-N 3.27Å; L323-L325 VanDerWaalsContact C-N 3.33Å; L323-L325 PolarHBondContact O-N 3.26Å; L325-W327 PolarHBondContact O-N 3.23Å; L325-T328 PolarHBondContact O-N 3.47Å; L325-L329 PolarHBondContact O-N 3.35Å; L325-L460 HydrophobicContact CB-CD2 4.3Å; L325-L460 HydrophobicContact CD2-CD2 3.78Å; L325-L460 HydrophobicContact CG-CD2 3.63Å; L325-L460 VanDerWaalsContact N-CD2 3.34Å; L325-V463 HydrophobicContact CD1-CB 4.3Å; L325-V463 HydrophobicContact CD1-CG1 4.04Å; L325-V463 HydrophobicContact CD2-CB 3.93Å; L325-V463 HydrophobicContact CD2-CG1 3.92Å; L325-L464 HydrophobicContact CD2-CD1 4.29Å; L325-L464 HydrophobicContact CD2-CD2 4.05Å; L325-L464 HydrophobicContact CD2-CG 3.69Å
326S97.7Very high96.3Very high0 Ų017.6 Ų17.60%010%0.104CC..Hα-helixtrans-59.6-48.2-179.6-630000111.8L189 S322 L323 L330 L495L189-S326 WeakPolarHBondContact CD1-OG 3.46Å; S322-S326 WeakPolarHBondContact O-CB 3.49Å; S322-S326 PolarHBondContact O-N 2.92Å; S322-S326 PolarHBondContact O-OG 3.38Å; L323-S326 PolarHBondContact O-N 3.4Å; S326-L330 WeakPolarHBondContact O-CB 3.48Å; S326-L330 PolarHBondContact O-N 2.77Å; S326-L495 WeakPolarHBondContact O-CD2 3.49Å
327W97.3Very high96.6Very high4 Ų422.2 Ų22.22%0.01512%0.123CC..Hα-helixtrans-64.1-43.1177.6-73.2123.7000111.7L323 L325 L330 Y331 R377 Q489 S490 P491L323-W327 WeakPolarHBondContact O-CB 3.42Å; L323-W327 PolarHBondContact O-N 3.45Å; L325-W327 PolarHBondContact O-N 3.23Å; W327-L330 HydrophobicContact CE3-CD2 3.86Å; W327-L330 HydrophobicContact CZ3-CD2 3.74Å; W327-L330 PolarHBondContact O-N 2.91Å; W327-Y331 WeakPolarHBondContact O-CD2 3.34Å; W327-Y331 PolarHBondContact O-N 2.66Å; W327-R377 HydrophobicContact CB-CB 4.1Å; W327-R377 HydrophobicContact CD2-CB 3.47Å; W327-R377 VanDerWaalsContact CD2-CB 3.47Å; W327-R377 HydrophobicContact CD2-CG 3.72Å; W327-R377 HydrophobicContact CE3-CB 3.95Å; W327-R377 HydrophobicContact CE3-CG 3.65Å; W327-R377 HydrophobicContact CG-CB 3.52Å; W327-R377 HydrophobicContact CG-CG 4.25Å; W327-R377 HydrophobicContact CH2-CG 4.23Å; W327-R377 HydrophobicContact CZ2-CB 4.36Å; W327-R377 HydrophobicContact CZ2-CG 4.28Å; W327-R377 HydrophobicContact CZ3-CG 3.93Å; W327-Q489 HydrophobicContact CZ2-CG 4.36Å; W327-Q489 PolarHBondContact NE1-O 3.18Å; W327-S490 VanDerWaalsContact CZ2-C 3.45Å; W327-P491 HydrophobicContact CD2-CG 3.96Å; W327-P491 HydrophobicContact CE3-CG 4.03Å; W327-P491 HydrophobicContact CH2-CB 3.93Å; W327-P491 HydrophobicContact CH2-CG 3.8Å; W327-P491 HydrophobicContact CZ2-CB 4.24Å; W327-P491 HydrophobicContact CZ2-CG 3.74Å; W327-P491 VanDerWaalsContact CZ2-N 3.33Å; W327-P491 HydrophobicContact CZ3-CB 4.19Å; W327-P491 HydrophobicContact CZ3-CG 3.94Å
328T98.6Very high96.9Very high0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-62.9-47.2179.5-51.90000111.4G324 L325 L330 Y331 L332 V370 S373 L464G324-T328 WeakPolarHBondContact O-CB 3.25Å; G324-T328 PolarHBondContact O-N 2.86Å; G324-T328 PolarHBondContact O-OG1 3.18Å; L325-T328 PolarHBondContact O-N 3.47Å; T328-L330 VanDerWaalsContact C-N 3.33Å; T328-L330 PolarHBondContact O-N 2.95Å; T328-Y331 PolarHBondContact O-N 3.23Å; T328-L332 HydrophobicContact CG2-CD1 4.06Å; T328-L332 HydrophobicContact CG2-CG 4.42Å; T328-L332 WeakPolarHBondContact O-CG 3.27Å; T328-L332 PolarHBondContact O-N 2.6Å; T328-V370 HydrophobicContact CG2-CG2 4.23Å; T328-S373 WeakPolarHBondContact CA-OG 3.48Å; T328-S373 WeakPolarHBondContact OG1-CB 3.19Å; T328-L464 HydrophobicContact CG2-CD1 3.6Å; T328-L464 HydrophobicContact CG2-CD2 4.15Å
329L98.6Very high97.2Very high0 Ų023.2 Ų23.20%012%0.124CC..Hα-helixtrans-62.9-38175.9-72.8-177.7000112.6I185 L189 L325 L332 A333 L464 L467 L468 F473 L497I185-L329 HydrophobicContact CG2-CD1 3.91Å; L189-L329 HydrophobicContact CD1-CD1 4.09Å; L189-L329 HydrophobicContact CD2-CD1 4.48Å; L325-L329 PolarHBondContact O-N 3.35Å; L329-L332 PolarHBondContact O-N 3.09Å; L329-A333 VanDerWaalsContact O-CB 3.24Å; L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 3.41Å; L329-L464 HydrophobicContact CD2-CD2 3.6Å; L329-L464 HydrophobicContact CG-CD2 3.85Å; L329-L467 HydrophobicContact CD1-CD1 4.25Å; L329-L468 HydrophobicContact CD2-CD2 4.46Å; L329-F473 HydrophobicContact CD1-CD1 4.38Å; L329-F473 HydrophobicContact CD1-CE1 3.82Å; L329-F473 HydrophobicContact CD1-CZ 4.01Å; L329-F473 HydrophobicContact CD2-CD1 4.31Å; L329-F473 HydrophobicContact CD2-CD2 3.91Å; L329-F473 HydrophobicContact CD2-CE1 4.07Å; L329-F473 HydrophobicContact CD2-CE2 3.66Å; L329-F473 HydrophobicContact CD2-CG 4.22Å; L329-F473 HydrophobicContact CD2-CZ 3.72Å; L329-L497 HydrophobicContact CB-CD1 4.01Å
330L98.2Very high97.7Very high9 Ų925.9 Ų25.95%0.04714%0.141CC..Hα-helixtrans-62.1-46.5174.817461.7000111.4S326 W327 T328 A333 L334 Y481 L495 L497S326-L330 WeakPolarHBondContact O-CB 3.48Å; S326-L330 PolarHBondContact O-N 2.77Å; W327-L330 HydrophobicContact CE3-CD2 3.86Å; W327-L330 HydrophobicContact CZ3-CD2 3.74Å; W327-L330 PolarHBondContact O-N 2.91Å; T328-L330 VanDerWaalsContact C-N 3.33Å; T328-L330 PolarHBondContact O-N 2.95Å; L330-A333 PolarHBondContact O-N 3.46Å; L330-L334 HydrophobicContact CD1-CD1 3.96Å; L330-L334 HydrophobicContact CD1-CG 4.23Å; L330-L334 HydrophobicContact CG-CD1 4.08Å; L330-L334 WeakPolarHBondContact O-CG 3.18Å; L330-L334 PolarHBondContact O-N 3Å; L330-Y481 HydrophobicContact CD1-CD2 3.74Å; L330-Y481 HydrophobicContact CD1-CE2 4.34Å; L330-Y481 HydrophobicContact CD2-CD2 4.17Å; L330-Y481 HydrophobicContact CD2-CG 4.19Å; L330-L495 HydrophobicContact CB-CD1 4.18Å; L330-L495 HydrophobicContact CB-CD2 4.32Å; L330-L495 HydrophobicContact CD1-CD1 4.06Å; L330-L495 HydrophobicContact CD2-CD1 4.28Å; L330-L495 HydrophobicContact CG-CD1 4.4Å; L330-L497 HydrophobicContact CD1-CD2 4.02Å
331Y98.2Very high97.9Very high26 Ų2629.7 Ų29.710%0.10215%0.151CC..Hα-helixtrans-64.4-42.9178.8-80.9-64.2000112.1W327 T328 A333 L334 H335 L376 R377 Y424W327-Y331 WeakPolarHBondContact O-CD2 3.34Å; W327-Y331 PolarHBondContact O-N 2.66Å; T328-Y331 PolarHBondContact O-N 3.23Å; Y331-A333 VanDerWaalsContact C-N 3.32Å; Y331-A333 PolarHBondContact O-N 3.41Å; Y331-L334 PolarHBondContact O-N 2.94Å; Y331-H335 PolarHBondContact O-N 3.31Å; Y331-H335 PolarHBondContact O-ND1 2.82Å; Y331-L376 HydrophobicContact CD1-CD1 4.24Å; Y331-L376 HydrophobicContact CE1-CD1 3.64Å; Y331-L376 HydrophobicContact CE2-CB 3.97Å; Y331-L376 HydrophobicContact CE2-CD1 4.23Å; Y331-L376 WeakPolarHBondContact OH-CB 3.45Å; Y331-R377 HydrophobicContact CE2-CB 4.26Å; Y331-R377 HydrophobicContact CE2-CG 3.74Å; Y331-R377 VanDerWaalsContact OH-CG 3.3Å; Y331-R377 WeakPolarHBondContact OH-CG 3.36Å; Y331-Y424 VanDerWaalsContact CB-CE2 3.5Å; Y331-Y424 AromaticContact CD1-CD2 3.65Å; Y331-Y424 HydrophobicContact CD1-CD2 3.65Å; Y331-Y424 HydrophobicContact CD1-CE2 4.24Å; Y331-Y424 HydrophobicContact CD1-CG 4.02Å; Y331-Y424 HydrophobicContact CD2-CD2 4.37Å; Y331-Y424 HydrophobicContact CD2-CE2 4.29Å; Y331-Y424 HydrophobicContact CE1-CD2 4.37Å; Y331-Y424 AromaticContact CG-CD2 3.67Å; Y331-Y424 HydrophobicContact CG-CD2 3.67Å; Y331-Y424 AromaticContact CG-CE2 3.77Å; Y331-Y424 HydrophobicContact CG-CE2 3.77Å; Y331-Y424 HydrophobicContact CG-CG 4.34Å
332L98.6Very high98Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-65.8-34175.6-67.2177000112.6T328 L329 L334 H335 E338 Q339 A369 Y424 L468T328-L332 HydrophobicContact CG2-CD1 4.06Å; T328-L332 HydrophobicContact CG2-CG 4.42Å; T328-L332 WeakPolarHBondContact O-CG 3.27Å; T328-L332 PolarHBondContact O-N 2.6Å; L329-L332 PolarHBondContact O-N 3.09Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L332-H335 CarbonylContact O-C 3.56Å; L332-H335 PolarHBondContact O-N 3.46Å; L332-E338 HydrophobicContact CD2-CB 4.2Å; L332-Q339 HydrophobicContact CB-CB 4.21Å; L332-Q339 HydrophobicContact CB-CG 4.22Å; L332-Q339 PolarHBondContact O-NE2 3.49Å; L332-A369 HydrophobicContact CD2-CB 4.34Å; L332-Y424 HydrophobicContact CD2-CE1 4.38Å; L332-L468 HydrophobicContact CD1-CD1 3.81Å; L332-L468 HydrophobicContact CD1-CD2 4.1Å
333A98.3Very high98Very high2 Ų229.9 Ų29.92%0.01715%0.15CC..Hα-helixtrans-65.6-38.2173.400000111.7L329 L330 Y331 H335 F473 P475 L497L329-A333 VanDerWaalsContact O-CB 3.24Å; L329-A333 WeakPolarHBondContact O-CB 3.49Å; L329-A333 PolarHBondContact O-N 3.41Å; L330-A333 PolarHBondContact O-N 3.46Å; Y331-A333 VanDerWaalsContact C-N 3.32Å; Y331-A333 PolarHBondContact O-N 3.41Å; A333-H335 VanDerWaalsContact C-N 3.3Å; A333-H335 PolarHBondContact O-N 3.32Å; A333-F473 WeakPolarHBondContact CA-O 3.42Å; A333-F473 HydrophobicContact CB-CB 4.01Å; A333-P475 WeakPolarHBondContact O-CD 3.28Å; A333-L497 HydrophobicContact CB-CD1 4.18Å; A333-L497 HydrophobicContact CB-CD2 4.08Å
334L97.6Very high98.2Very high87 Ų8735.6 Ų35.646%0.45518%0.177SC..Hα-helixtrans-74-18.9176.6-68.9168.7000113.5L330 Y331 L332 P475L330-L334 HydrophobicContact CD1-CD1 3.96Å; L330-L334 HydrophobicContact CD1-CG 4.23Å; L330-L334 HydrophobicContact CG-CD1 4.08Å; L330-L334 WeakPolarHBondContact O-CG 3.18Å; L330-L334 PolarHBondContact O-N 3Å; Y331-L334 PolarHBondContact O-N 2.94Å; L332-L334 VanDerWaalsContact C-N 3.33Å; L334-P475 HydrophobicContact CD2-CB 3.76Å; L334-P475 HydrophobicContact CD2-CG 4.26Å; L334-P475 HydrophobicContact CG-CB 4.48Å
335H98.3Very high98.2Very high63 Ų6337.3 Ų37.329%0.29219%0.185SC..  trans-12877.7-178-54.882.3000110.9Y331 L332 A333 L337 E338 Q339 Y424Y331-H335 PolarHBondContact O-N 3.31Å; Y331-H335 PolarHBondContact O-ND1 2.82Å; L332-H335 CarbonylContact O-C 3.56Å; L332-H335 PolarHBondContact O-N 3.46Å; A333-H335 VanDerWaalsContact C-N 3.3Å; A333-H335 PolarHBondContact O-N 3.32Å; H335-L337 VanDerWaalsContact C-N 3.26Å; H335-L337 PolarHBondContact O-N 3.21Å; H335-L337 VanDerWaalsContact O-N 3.17Å; H335-E338 HydrophobicContact CB-CB 4.02Å; H335-E338 HydrophobicContact CB-CG 3.69Å; H335-E338 WeakPolarHBondContact O-CB 3.45Å; H335-E338 PolarHBondContact O-N 2.88Å; H335-Q339 PolarHBondContact O-N 2.93Å; H335-Q339 VanDerWaalsContact O-N 3.13Å; H335-Y424 HydrophobicContact CB-CD1 4.11Å; H335-Y424 VanDerWaalsContact CE1-CB 3.41Å; H335-Y424 WeakPolarHBondContact CE1-CB 3.18Å; H335-Y424 AromaticContact CE1-CG 3.95Å; H335-Y424 AromaticContact CG-CD1 3.71Å; H335-Y424 AromaticContact ND1-CD1 3.59Å; H335-Y424 AromaticContact ND1-CG 3.89Å
336P97.8Very high98.2Very high83 Ų8337.3 Ų37.354%0.53919%0.185SC..Hα-helixtrans-57.2-33.8-174-27.335.2000114.7E338 Q339 T340P336-E338 VanDerWaalsContact C-N 3.3Å; P336-E338 PolarHBondContact O-N 3.04Å; P336-Q339 WeakPolarHBondContact O-CB 3.48Å; P336-Q339 PolarHBondContact O-N 3.27Å; P336-T340 PolarHBondContact O-N 3.39Å; P336-T340 PolarHBondContact O-OG1 3.3Å; P336-T340 VanDerWaalsContact O-OG1 3.12Å
337L98.2Very high98.1Very high132 Ų13242 Ų4269%0.69121%0.21SC*.Hα-helixtrans-62.2-39.2176-65.5176.6000111.8H335 T340 R341H335-L337 VanDerWaalsContact C-N 3.26Å; H335-L337 PolarHBondContact O-N 3.21Å; H335-L337 VanDerWaalsContact O-N 3.17Å; L337-T340 PolarHBondContact O-N 3.42Å; L337-R341 WeakPolarHBondContact O-CG 3.49Å; L337-R341 PolarHBondContact O-N 2.64Å
338E98.4Very high98.1Very high28 Ų2846 Ų4613%0.13124%0.244CC..Hα-helixtrans-71.2-37.4178.2-53.4-52.7145.900111.6L332 H335 P336 R341 C342 Y365 Y424 P426L332-E338 HydrophobicContact CD2-CB 4.2Å; H335-E338 HydrophobicContact CB-CB 4.02Å; H335-E338 HydrophobicContact CB-CG 3.69Å; H335-E338 WeakPolarHBondContact O-CB 3.45Å; H335-E338 PolarHBondContact O-N 2.88Å; P336-E338 VanDerWaalsContact C-N 3.3Å; P336-E338 PolarHBondContact O-N 3.04Å; E338-R341 PolarHBondContact O-N 3.14Å; E338-R341 IonicContact OE1-NH1 3.48Å; E338-R341 PolarHBondContact OE1-NH1 3.12Å; E338-R341 IonicContact OE2-NH1 3.66Å; E338-C342 PolarHBondContact O-N 3.26Å; E338-C342 PolarHBondContact O-SG 3.13Å; E338-Y365 VanDerWaalsContact OE2-CZ 3.32Å; E338-Y365 PolarHBondContact OE2-OH 2.98Å; E338-Y424 HydrophobicContact CB-CE1 4.15Å; E338-Y424 HydrophobicContact CG-CD1 4.27Å; E338-Y424 HydrophobicContact CG-CE1 4.22Å; E338-P426 HydrophobicContact CG-CG 4.49Å
339Q98.6Very high98Very high7 Ų748.7 Ų48.73%0.03326%0.26CS..Hα-helixtrans-61-44.1172-164.4-175.8137.700111.6L332 H335 P336 C342 R343 L468 F473L332-Q339 HydrophobicContact CB-CB 4.21Å; L332-Q339 HydrophobicContact CB-CG 4.22Å; L332-Q339 PolarHBondContact O-NE2 3.49Å; H335-Q339 PolarHBondContact O-N 2.93Å; H335-Q339 VanDerWaalsContact O-N 3.13Å; P336-Q339 WeakPolarHBondContact O-CB 3.48Å; P336-Q339 PolarHBondContact O-N 3.27Å; Q339-C342 PolarHBondContact O-N 2.85Å; Q339-R343 PolarHBondContact O-N 3.22Å; Q339-L468 HydrophobicContact CG-CD2 3.78Å; Q339-F473 PolarHBondContact NE2-O 3.29Å
340T98.3Very high97.8Very high58 Ų5849.1 Ų49.136%0.35626%0.263SS..Hα-helixtrans-62.7-46.7176.6-63.60000111.5P336 L337 C342 R343 E344P336-T340 PolarHBondContact O-N 3.39Å; P336-T340 PolarHBondContact O-OG1 3.3Å; P336-T340 VanDerWaalsContact O-OG1 3.12Å; L337-T340 PolarHBondContact O-N 3.42Å; T340-C342 PolarHBondContact O-N 3.46Å; T340-R343 WeakPolarHBondContact O-CB 3.36Å; T340-R343 PolarHBondContact O-N 3.44Å; T340-E344 HydrophobicContact CG2-CG 4.27Å; T340-E344 WeakPolarHBondContact O-CG 3.26Å; T340-E344 PolarHBondContact O-N 2.91Å
341R98.2Very high97.6Very high120 Ų12051.1 Ų51.145%0.45328%0.276SS..Hα-helixtrans-58.7-45.1176.6-73.9176.6179.9171.62.7112.7L337 E338 R343 E344 E345 Y365L337-R341 WeakPolarHBondContact O-CG 3.49Å; L337-R341 PolarHBondContact O-N 2.64Å; E338-R341 PolarHBondContact O-N 3.14Å; E338-R341 IonicContact OE1-NH1 3.48Å; E338-R341 PolarHBondContact OE1-NH1 3.12Å; E338-R341 IonicContact OE2-NH1 3.66Å; R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 2.81Å; R341-E344 PolarHBondContact O-N 3.12Å; R341-E345 PolarHBondContact O-N 3.41Å; R341-E345 VanDerWaalsContact O-N 3.1Å; R341-Y365 HydrophobicContact CB-CD1 3.81Å; R341-Y365 HydrophobicContact CB-CE1 3.48Å; R341-Y365 VanDerWaalsContact CB-CE1 3.48Å; R341-Y365 VanDerWaalsContact CD-OH 3.28Å; R341-Y365 WeakPolarHBondContact CD-OH 3.19Å; R341-Y365 HydrophobicContact CG-CE1 4.38Å; R341-Y365 PolarHBondContact NH1-OH 2.77Å
342C98.6Very high96.9Very high0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-57.3-45174-670000110.9E338 Q339 T340 E345 I346 L366 L468E338-C342 PolarHBondContact O-N 3.26Å; E338-C342 PolarHBondContact O-SG 3.13Å; Q339-C342 PolarHBondContact O-N 2.85Å; T340-C342 PolarHBondContact O-N 3.46Å; C342-E345 PolarHBondContact O-N 3.38Å; C342-I346 WeakPolarHBondContact O-CB 3.16Å; C342-I346 WeakPolarHBondContact O-CD1 3.36Å; C342-I346 WeakPolarHBondContact O-CG1 3.43Å; C342-I346 PolarHBondContact O-N 2.88Å; C342-L366 HydrophobicContact CB-CD1 4.26Å; C342-L468 HydrophobicContact CB-CD1 4.01Å
343R98.1Very high96.1Very high8 Ų862.8 Ų62.83%0.0334%0.335CS..Hα-helixtrans-65.2-44.4-179.6-174.7-180-60.1101.4-2.3112.6Q339 T340 R341 E345 I346 L347 L468 F471 D472 H502Q339-R343 PolarHBondContact O-N 3.22Å; T340-R343 WeakPolarHBondContact O-CB 3.36Å; T340-R343 PolarHBondContact O-N 3.44Å; R341-R343 VanDerWaalsContact C-N 3.29Å; R341-R343 PolarHBondContact O-N 2.81Å; R343-E345 VanDerWaalsContact C-N 3.32Å; R343-E345 PolarHBondContact O-N 3.37Å; R343-I346 PolarHBondContact O-N 2.96Å; R343-L347 HydrophobicContact CG-CD1 4Å; R343-L347 HydrophobicContact CG-CG 4.29Å; R343-L347 WeakPolarHBondContact O-CG 3.43Å; R343-L347 PolarHBondContact O-N 2.96Å; R343-L468 PolarHBondContact NE-O 2.87Å; R343-F471 PolarHBondContact NH2-O 3.18Å; R343-D472 IonicContact CZ-OD1 3.99Å; R343-D472 IonicContact NH1-OD1 3.81Å; R343-D472 IonicContact NH2-OD1 2.94Å; R343-D472 PolarHBondContact NH2-OD1 3.18Å; R343-H502 VanDerWaalsContact CD-CE1 3.49Å; R343-H502 WeakPolarHBondContact CD-CE1 3.47Å; R343-H502 VanDerWaalsContact CD-NE2 3.28Å; R343-H502 WeakPolarHBondContact CD-NE2 3.42Å
344E98.1Very high95.6Very high121 Ų12169.4 Ų69.457%0.56537%0.37SS*.Hα-helixtrans-57.6-46.2176.8-73.3172.8171.300110.9T340 R341 I346 L347 A348T340-E344 HydrophobicContact CG2-CG 4.27Å; T340-E344 WeakPolarHBondContact O-CG 3.26Å; T340-E344 PolarHBondContact O-N 2.91Å; R341-E344 PolarHBondContact O-N 3.12Å; E344-I346 PolarHBondContact O-N 3.44Å; E344-L347 PolarHBondContact O-N 2.87Å; E344-A348 WeakPolarHBondContact O-CB 3.39Å; E344-A348 PolarHBondContact O-N 3.35Å
345E98.2Very high95.4Very high36 Ų3665.9 Ų65.917%0.16835%0.351CS..Hα-helixtrans-59.7-46.5173.9179-177.3-109.300112.1R341 C342 R343 L347 A348 T349 L363 E364 Y365 L366R341-E345 PolarHBondContact O-N 3.41Å; R341-E345 VanDerWaalsContact O-N 3.1Å; C342-E345 PolarHBondContact O-N 3.38Å; R343-E345 VanDerWaalsContact C-N 3.32Å; R343-E345 PolarHBondContact O-N 3.37Å; E345-L347 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.21Å; E345-A348 PolarHBondContact O-N 3.17Å; E345-T349 VanDerWaalsContact O-CB 3.26Å; E345-T349 WeakPolarHBondContact O-CB 3.37Å; E345-T349 PolarHBondContact O-N 3.1Å; E345-T349 PolarHBondContact O-OG1 3.42Å; E345-L363 HydrophobicContact CG-CD2 3.92Å; E345-L363 WeakPolarHBondContact OE2-CA 3.41Å; E345-E364 PolarHBondContact OE1-N 3.39Å; E345-Y365 VanDerWaalsContact CD-N 3.34Å; E345-Y365 WeakPolarHBondContact OE1-CB 3.42Å; E345-Y365 PolarHBondContact OE1-N 2.68Å; E345-Y365 PolarHBondContact OE2-N 2.88Å; E345-L366 PolarHBondContact OE2-N 3.11Å
346I98.1Very high95.3Very high0 Ų065.6 Ų65.60%035%0.354CS..Hα-helixtrans-60.8-42.9179.4-71.3157.3000111.3C342 R343 E344 L350 L363 L366 A465 L468 R469C342-I346 WeakPolarHBondContact O-CB 3.16Å; C342-I346 WeakPolarHBondContact O-CD1 3.36Å; C342-I346 WeakPolarHBondContact O-CG1 3.43Å; C342-I346 PolarHBondContact O-N 2.88Å; R343-I346 PolarHBondContact O-N 2.96Å; E344-I346 PolarHBondContact O-N 3.44Å; I346-L350 HydrophobicContact CG2-CD1 4.16Å; I346-L350 HydrophobicContact CG2-CG 4.46Å; I346-L350 PolarHBondContact O-N 2.66Å; I346-L363 HydrophobicContact CG1-CD1 4.36Å; I346-L363 HydrophobicContact CG1-CD2 4.23Å; I346-L366 HydrophobicContact CD1-CD2 4.31Å; I346-L366 HydrophobicContact CG1-CD2 4.44Å; I346-A465 HydrophobicContact CD1-CB 4.18Å; I346-A465 HydrophobicContact CG1-CB 4.09Å; I346-A465 HydrophobicContact CG2-CB 4.37Å; I346-L468 HydrophobicContact CD1-CB 3.82Å; I346-L468 HydrophobicContact CD1-CD1 3.98Å; I346-R469 HydrophobicContact CG2-CB 4.17Å; I346-R469 PolarHBondContact O-NH2 3.4Å
347L96.7Very high95.1Very high97 Ų9762.6 Ų62.651%0.50833%0.333SS..Hα-helixtrans-70.5-34.5179.4-69.4175.4000112R343 E344 E345 R469R343-L347 HydrophobicContact CG-CD1 4Å; R343-L347 HydrophobicContact CG-CG 4.29Å; R343-L347 WeakPolarHBondContact O-CG 3.43Å; R343-L347 PolarHBondContact O-N 2.96Å; E344-L347 PolarHBondContact O-N 2.87Å; E345-L347 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.21Å; L347-R469 HydrophobicContact CD2-CG 3.98Å
348A96.3Very high94.9Very high89 Ų8961.2 Ų61.274%0.73632%0.323SS*.Hα-helixtrans-74.7-32.3177.400000113.3E344 E345E344-A348 WeakPolarHBondContact O-CB 3.39Å; E344-A348 PolarHBondContact O-N 3.35Å; E345-A348 PolarHBondContact O-N 3.17Å
349T95.9Very high94.9Very high56 Ų5661.8 Ų61.834%0.34433%0.326SS..Hα-helixtrans-100-48.4-169.5-50.20000113.2E345 L363E345-T349 VanDerWaalsContact O-CB 3.26Å; E345-T349 WeakPolarHBondContact O-CB 3.37Å; E345-T349 PolarHBondContact O-N 3.1Å; E345-T349 PolarHBondContact O-OG1 3.42Å; T349-L363 HydrophobicContact CG2-CD2 4.1Å
350L95.8Very high94.8Very high10 Ų1061.5 Ų61.55%0.05233%0.325CS..SBendtrans-84.7138.6-170.3-54.9-171.1000111.6I346 I355 D359 I360 L363 A465 R469I346-L350 HydrophobicContact CG2-CD1 4.16Å; I346-L350 HydrophobicContact CG2-CG 4.46Å; I346-L350 PolarHBondContact O-N 2.66Å; L350-I355 HydrophobicContact CD1-CD1 4.21Å; L350-I355 HydrophobicContact CD1-CG2 4.45Å; L350-I355 HydrophobicContact CD2-CG2 4.19Å; L350-D359 HydrophobicContact CD2-CB 3.5Å; L350-D359 WeakPolarHBondContact CD2-O 3.42Å; L350-I360 HydrophobicContact CD1-CD1 3.93Å; L350-I360 HydrophobicContact CD2-CD1 4.1Å; L350-L363 HydrophobicContact CD1-CD1 4.09Å; L350-L363 HydrophobicContact CD2-CD1 4.03Å; L350-L363 HydrophobicContact CD2-CD2 4.02Å; L350-L363 HydrophobicContact CD2-CG 4.1Å; L350-L363 HydrophobicContact CG-CD1 4.22Å; L350-L363 HydrophobicContact CG-CD2 4.1Å; L350-A465 HydrophobicContact CD1-CB 3.67Å; L350-R469 PolarHBondContact O-NH2 3.48Å
351P92.9Very high94.5Very high50 Ų5063.7 Ų63.733%0.32533%0.331SS..  trans-66.9164.2169.930.9-36000111.3N353 I355 R469P351-N353 VanDerWaalsContact C-N 3.29Å; P351-N353 WeakPolarHBondContact CB-O 3.37Å; P351-N353 WeakPolarHBondContact CG-O 3.39Å; P351-N353 PolarHBondContact O-N 3.16Å; P351-I355 HydrophobicContact CG-CG1 4.4Å; P351-R469 PolarHBondContact O-NH1 2.97Å
352E83Confident94.4Very high171 Ų17159.7 Ų59.780%0.79933%0.328SS*.SBendtrans-63.5-37.6172.7-72.1-172.1166.600111.9
353N83.3Confident94.3Very high101 Ų10159.7 Ų59.754%0.5433%0.328SS..SBendtrans-136.1159.2-176.3-66.4-61.4000110.7P351P351-N353 VanDerWaalsContact C-N 3.29Å; P351-N353 WeakPolarHBondContact CB-O 3.37Å; P351-N353 WeakPolarHBondContact CG-O 3.39Å; P351-N353 PolarHBondContact O-N 3.16Å
354N87.3Confident94.2Very high141 Ų14166 Ų6675%0.75436%0.358SS*.  trans58.853.4178.8-52.8-44.4000113.1T356N354-T356 PolarHBondContact O-N 2.82Å
355I93.9Very high94.2Very high12 Ų1261.4 Ų61.46%0.06234%0.335CS..  trans-64.1131.9176.8-58164.6000108.5L154 E158 L350 P351 D359 I360 I466L154-I355 WeakPolarHBondContact CD2-O 3.43Å; E158-I355 HydrophobicContact CG-CD1 4.48Å; E158-I355 WeakPolarHBondContact OE1-CB 3.28Å; L350-I355 HydrophobicContact CD1-CD1 4.21Å; L350-I355 HydrophobicContact CD1-CG2 4.45Å; L350-I355 HydrophobicContact CD2-CG2 4.19Å; P351-I355 HydrophobicContact CG-CG1 4.4Å; I355-D359 HydrophobicContact CG2-CB 4.14Å; I355-I360 HydrophobicContact CG2-CD1 3.68Å; I355-I360 HydrophobicContact CG2-CG1 3.66Å; I355-I466 HydrophobicContact CD1-CG1 4.46Å
356T94.6Very high94.2Very high57 Ų5759.7 Ų59.735%0.3533%0.327SS..  trans-98.9165.7178.572.20000111.4N354 E358 D359 I360N354-T356 PolarHBondContact O-N 2.82Å; T356-E358 VanDerWaalsContact C-N 3.26Å; T356-E358 PolarHBondContact O-N 3.01Å; T356-D359 WeakPolarHBondContact CB-OD2 3.32Å; T356-D359 PolarHBondContact N-OD2 2.86Å; T356-D359 PolarHBondContact O-N 2.9Å; T356-D359 PolarHBondContact OG1-N 2.89Å; T356-D359 PolarHBondContact OG1-OD1 3.49Å; T356-D359 PolarHBondContact OG1-OD2 2.9Å; T356-I360 PolarHBondContact O-N 3.41Å
357F94.4Very high94.2Very high21 Ų2161.5 Ų61.59%0.09234%0.337CS..Hα-helixtrans-62.3-39.5175.6175.3-89.1000111.2I147 K151 L154 D359 I360 E361 L458I147-F357 HydrophobicContact CG2-CD1 4.42Å; I147-F357 HydrophobicContact CG2-CE1 3.87Å; I147-F357 HydrophobicContact CG2-CE2 4.41Å; I147-F357 HydrophobicContact CG2-CZ 3.88Å; K151-F357 HydrophobicContact CD-CB 4.23Å; K151-F357 HydrophobicContact CG-CB 3.75Å; K151-F357 HydrophobicContact CG-CD1 4.44Å; K151-F357 HydrophobicContact CG-CD2 4.16Å; K151-F357 HydrophobicContact CG-CG 3.86Å; L154-F357 HydrophobicContact CD2-CB 4.42Å; F357-D359 VanDerWaalsContact C-N 3.34Å; F357-I360 PolarHBondContact O-N 3.04Å; F357-E361 HydrophobicContact CD1-CG 3.93Å; F357-E361 HydrophobicContact CE1-CG 3.41Å; F357-E361 VanDerWaalsContact CE1-CG 3.41Å; F357-E361 HydrophobicContact CE2-CG 4.38Å; F357-E361 HydrophobicContact CZ-CG 3.66Å; F357-E361 WeakPolarHBondContact O-CG 3.49Å; F357-E361 PolarHBondContact O-N 3.16Å; F357-L458 HydrophobicContact CD2-CD1 3.79Å; F357-L458 HydrophobicContact CD2-CD2 3.84Å; F357-L458 HydrophobicContact CD2-CG 4.48Å; F357-L458 HydrophobicContact CE2-CD1 3.95Å; F357-L458 HydrophobicContact CE2-CD2 3.95Å; F357-L458 HydrophobicContact CE2-CG 4.5Å
358E95.2Very high94.2Very high102 Ų10257 Ų5748%0.47731%0.313SS..Hα-helixtrans-60.6-41.5175.7-73.662.9-146.200111.9K151 T356 I360 E361 G362K151-E358 WeakPolarHBondContact CE-OE1 3.38Å; K151-E358 VanDerWaalsContact NZ-CD 3.32Å; K151-E358 IonicContact NZ-OE1 3.82Å; K151-E358 PolarHBondContact NZ-OE1 3.15Å; K151-E358 IonicContact NZ-OE2 3.78Å; K151-E358 PolarHBondContact NZ-OE2 3.47Å; T356-E358 VanDerWaalsContact C-N 3.26Å; T356-E358 PolarHBondContact O-N 3.01Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 2.81Å; E358-E361 PolarHBondContact O-N 3.27Å; E358-G362 PolarHBondContact O-N 2.95Å
359D96.5Very high94.3Very high40 Ų4052.7 Ų52.721%0.21428%0.278CS..Hα-helixtrans-62.3-42.3178-54.4-37.9000111.4L350 I355 T356 F357 G362L350-D359 HydrophobicContact CD2-CB 3.5Å; L350-D359 WeakPolarHBondContact CD2-O 3.42Å; I355-D359 HydrophobicContact CG2-CB 4.14Å; T356-D359 WeakPolarHBondContact CB-OD2 3.32Å; T356-D359 PolarHBondContact N-OD2 2.86Å; T356-D359 PolarHBondContact O-N 2.9Å; T356-D359 PolarHBondContact OG1-N 2.89Å; T356-D359 PolarHBondContact OG1-OD1 3.49Å; T356-D359 PolarHBondContact OG1-OD2 2.9Å; F357-D359 VanDerWaalsContact C-N 3.34Å; D359-G362 PolarHBondContact O-N 3.42Å
360I97.1Very high94.4Very high1 Ų150 Ų501%0.00526%0.262CS..Hα-helixtrans-71.6-32.3177.2-62.3-63.6000112.6L154 L350 I355 T356 F357 E358 G362 L363 L458 K461 A465L154-I360 HydrophobicContact CD1-CG1 4.12Å; L350-I360 HydrophobicContact CD1-CD1 3.93Å; L350-I360 HydrophobicContact CD2-CD1 4.1Å; I355-I360 HydrophobicContact CG2-CD1 3.68Å; I355-I360 HydrophobicContact CG2-CG1 3.66Å; T356-I360 PolarHBondContact O-N 3.41Å; F357-I360 PolarHBondContact O-N 3.04Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 2.81Å; I360-G362 VanDerWaalsContact C-N 3.31Å; I360-L363 HydrophobicContact CD1-CD1 4.15Å; I360-L458 HydrophobicContact CB-CD1 4.16Å; I360-L458 HydrophobicContact CG2-CD1 3.72Å; I360-K461 HydrophobicContact CG2-CB 3.63Å; I360-K461 HydrophobicContact CG2-CD 4.43Å; I360-K461 PolarHBondContact O-NZ 3.13Å; I360-A465 HydrophobicContact CD1-CB 4.48Å
361E93.2Very high94.4Very high104 Ų10451.6 Ų51.649%0.48627%0.269SS..Hα-helixtrans-68.4-32.3172.5-75.4-71.991.300112F357 E358 L363 K461F357-E361 HydrophobicContact CD1-CG 3.93Å; F357-E361 HydrophobicContact CE1-CG 3.41Å; F357-E361 VanDerWaalsContact CE1-CG 3.41Å; F357-E361 HydrophobicContact CE2-CG 4.38Å; F357-E361 HydrophobicContact CZ-CG 3.66Å; F357-E361 WeakPolarHBondContact O-CG 3.49Å; F357-E361 PolarHBondContact O-N 3.16Å; E358-E361 PolarHBondContact O-N 3.27Å; E361-L363 PolarHBondContact O-N 3.01Å; E361-K461 IonicContact OE1-NZ 2.81Å; E361-K461 PolarHBondContact OE1-NZ 3.33Å
362G94.8Very high94.6Very high37 Ų3749.2 Ų49.238%0.38125%0.253SS..THydrogen-bonded Turntrans-72.7-6.5178.700000115.7E358 D359 I360 E364E358-G362 PolarHBondContact O-N 2.95Å; D359-G362 PolarHBondContact O-N 3.42Å; I360-G362 VanDerWaalsContact C-N 3.31Å; G362-E364 VanDerWaalsContact C-N 3.3Å; G362-E364 PolarHBondContact O-N 3.2Å
363L97.4Very high95.3Very high0 Ų041 Ų410%022%0.215CC..  trans-79.675.7175.2-59.3175.3000111E345 I346 T349 L350 I360 E361 L366 N367 A465E345-L363 HydrophobicContact CG-CD2 3.92Å; E345-L363 WeakPolarHBondContact OE2-CA 3.41Å; I346-L363 HydrophobicContact CG1-CD1 4.36Å; I346-L363 HydrophobicContact CG1-CD2 4.23Å; T349-L363 HydrophobicContact CG2-CD2 4.1Å; L350-L363 HydrophobicContact CD1-CD1 4.09Å; L350-L363 HydrophobicContact CD2-CD1 4.03Å; L350-L363 HydrophobicContact CD2-CD2 4.02Å; L350-L363 HydrophobicContact CD2-CG 4.1Å; L350-L363 HydrophobicContact CG-CD1 4.22Å; L350-L363 HydrophobicContact CG-CD2 4.1Å; I360-L363 HydrophobicContact CD1-CD1 4.15Å; E361-L363 PolarHBondContact O-N 3.01Å; L363-L366 HydrophobicContact CB-CB 3.92Å; L363-L366 HydrophobicContact CB-CD2 4.41Å; L363-L366 HydrophobicContact CD1-CD2 3.66Å; L363-N367 WeakPolarHBondContact O-CB 3.46Å; L363-N367 PolarHBondContact O-N 3Å; L363-A465 HydrophobicContact CD1-CB 3.93Å
364E96.3Very high95.9Very high140 Ų14036.5 Ų36.565%0.65419%0.191SC*.Hα-helixtrans-63.1-46.1-174.4-65-172.2165.300112.6E345 G362 N367 A368E345-E364 PolarHBondContact OE1-N 3.39Å; G362-E364 VanDerWaalsContact C-N 3.3Å; G362-E364 PolarHBondContact O-N 3.2Å; E364-N367 WeakPolarHBondContact O-CB 3.41Å; E364-N367 PolarHBondContact O-N 3.18Å; E364-A368 WeakPolarHBondContact O-CB 3.34Å; E364-A368 PolarHBondContact O-N 3.2Å
365Y98Very high96.3Very high25 Ų2529.8 Ų29.810%0.09816%0.155CC..Hα-helixtrans-70.5-43.9-179.6-157.2-96.3000112.1E338 R341 E345 N367 A368 A369 P426 L430E338-Y365 VanDerWaalsContact OE2-CZ 3.32Å; E338-Y365 PolarHBondContact OE2-OH 2.98Å; R341-Y365 HydrophobicContact CB-CD1 3.81Å; R341-Y365 HydrophobicContact CB-CE1 3.48Å; R341-Y365 VanDerWaalsContact CB-CE1 3.48Å; R341-Y365 VanDerWaalsContact CD-OH 3.28Å; R341-Y365 WeakPolarHBondContact CD-OH 3.19Å; R341-Y365 HydrophobicContact CG-CE1 4.38Å; R341-Y365 PolarHBondContact NH1-OH 2.77Å; E345-Y365 VanDerWaalsContact CD-N 3.34Å; E345-Y365 WeakPolarHBondContact OE1-CB 3.42Å; E345-Y365 PolarHBondContact OE1-N 2.68Å; E345-Y365 PolarHBondContact OE2-N 2.88Å; Y365-N367 VanDerWaalsContact C-N 3.25Å; Y365-N367 PolarHBondContact O-N 3.19Å; Y365-A368 WeakPolarHBondContact O-CB 3.31Å; Y365-A368 PolarHBondContact O-N 3.38Å; Y365-A368 VanDerWaalsContact O-N 3.14Å; Y365-A369 WeakPolarHBondContact O-CB 3.39Å; Y365-A369 PolarHBondContact O-N 3.37Å; Y365-P426 HydrophobicContact CE1-CB 4.35Å; Y365-L430 HydrophobicContact CD2-CD1 3.9Å; Y365-L430 HydrophobicContact CD2-CD2 4.2Å; Y365-L430 HydrophobicContact CE2-CD1 3.92Å
366L98.4Very high96.4Very high0 Ų029.3 Ų29.30%015%0.152CC..Hα-helixtrans-60.3-40.9173.6-177.364.1000110.6C342 E345 I346 L363 A368 A369 V370 K461 L464 A465 L468C342-L366 HydrophobicContact CB-CD1 4.26Å; E345-L366 PolarHBondContact OE2-N 3.11Å; I346-L366 HydrophobicContact CD1-CD2 4.31Å; I346-L366 HydrophobicContact CG1-CD2 4.44Å; L363-L366 HydrophobicContact CB-CB 3.92Å; L363-L366 HydrophobicContact CB-CD2 4.41Å; L363-L366 HydrophobicContact CD1-CD2 3.66Å; L366-A368 VanDerWaalsContact C-N 3.34Å; L366-A369 PolarHBondContact O-N 3.43Å; L366-V370 WeakPolarHBondContact O-CG2 3.46Å; L366-V370 PolarHBondContact O-N 3.13Å; L366-K461 HydrophobicContact CD2-CB 4.3Å; L366-L464 HydrophobicContact CD1-CB 4.08Å; L366-L464 HydrophobicContact CD1-CD1 4.4Å; L366-L464 HydrophobicContact CD2-CB 4.34Å; L366-A465 HydrophobicContact CD2-CB 3.98Å; L366-L468 HydrophobicContact CD1-CD1 3.86Å
367N97.2Very high96.3Very high38 Ų3827.7 Ų27.720%0.20314%0.14CC..Hα-helixtrans-60.4-44.8174.5178.576.2000111.3L363 E364 Y365 A369 V370 Q371 K461L363-N367 WeakPolarHBondContact O-CB 3.46Å; L363-N367 PolarHBondContact O-N 3Å; E364-N367 WeakPolarHBondContact O-CB 3.41Å; E364-N367 PolarHBondContact O-N 3.18Å; Y365-N367 VanDerWaalsContact C-N 3.25Å; Y365-N367 PolarHBondContact O-N 3.19Å; N367-A369 PolarHBondContact O-N 3.4Å; N367-V370 PolarHBondContact O-N 2.85Å; N367-Q371 WeakPolarHBondContact O-CB 3.47Å; N367-Q371 VanDerWaalsContact O-CG 3.31Å; N367-Q371 WeakPolarHBondContact O-CG 3.49Å; N367-Q371 PolarHBondContact O-N 2.66Å; N367-K461 HydrophobicContact CB-CD 4.02Å
368A96.6Very high96.3Very high1 Ų126.8 Ų26.81%0.00814%0.136CC..Hα-helixtrans-61.4-41.8176.300000112.3E364 Y365 L366 V370 Q371 E372 P426 F429 L430E364-A368 WeakPolarHBondContact O-CB 3.34Å; E364-A368 PolarHBondContact O-N 3.2Å; Y365-A368 WeakPolarHBondContact O-CB 3.31Å; Y365-A368 PolarHBondContact O-N 3.38Å; Y365-A368 VanDerWaalsContact O-N 3.14Å; L366-A368 VanDerWaalsContact C-N 3.34Å; A368-V370 PolarHBondContact O-N 3.44Å; A368-Q371 PolarHBondContact O-N 3.16Å; A368-E372 WeakPolarHBondContact O-CB 3.19Å; A368-E372 PolarHBondContact O-N 2.93Å; A368-P426 HydrophobicContact CB-CB 4.31Å; A368-P426 WeakPolarHBondContact CB-O 3.36Å; A368-F429 HydrophobicContact CB-CB 3.92Å; A368-L430 HydrophobicContact CB-CD2 3.8Å; A368-L430 HydrophobicContact CB-CG 4.28Å
369A98.1Very high96.2Very high0 Ų022.3 Ų22.30%012%0.116CC..Hα-helixtrans-64.3-39.6176.100000112.6L332 Y365 L366 N367 S373 Y424 P426L332-A369 HydrophobicContact CD2-CB 4.34Å; Y365-A369 WeakPolarHBondContact O-CB 3.39Å; Y365-A369 PolarHBondContact O-N 3.37Å; L366-A369 PolarHBondContact O-N 3.43Å; N367-A369 PolarHBondContact O-N 3.4Å; A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.05Å; A369-S373 PolarHBondContact O-OG 3.3Å; A369-Y424 WeakPolarHBondContact CB-OH 3.33Å; A369-Y424 PolarHBondContact O-OH 3.07Å; A369-P426 HydrophobicContact CB-CB 4.29Å; A369-P426 HydrophobicContact CB-CG 4.2Å
370V98.1Very high96Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-63.6-46.2171.6169.10000110.3T328 L366 N367 A368 E372 S373 L374 L457 L460 K461 L464T328-V370 HydrophobicContact CG2-CG2 4.23Å; L366-V370 WeakPolarHBondContact O-CG2 3.46Å; L366-V370 PolarHBondContact O-N 3.13Å; N367-V370 PolarHBondContact O-N 2.85Å; A368-V370 PolarHBondContact O-N 3.44Å; V370-E372 PolarHBondContact O-N 3.12Å; V370-S373 PolarHBondContact O-N 3.27Å; V370-L374 HydrophobicContact CG1-CD1 3.98Å; V370-L374 HydrophobicContact CG1-CG 4.36Å; V370-L374 WeakPolarHBondContact O-CG 3.48Å; V370-L374 PolarHBondContact O-N 3.29Å; V370-L457 HydrophobicContact CG1-CD2 4.07Å; V370-L460 HydrophobicContact CG1-CB 4.36Å; V370-L460 HydrophobicContact CG1-CD1 4.03Å; V370-K461 HydrophobicContact CG2-CG 4.5Å; V370-L464 HydrophobicContact CG2-CD1 3.42Å; V370-L464 VanDerWaalsContact CG2-CD1 3.42Å
371Q96.5Very high95.8Very high42 Ų4222.4 Ų22.420%0.19612%0.122CC..Hα-helixtrans-62-44-178.8-74.9-178.5-27.900112.1N367 A368 L374 R375 F429 Y440N367-Q371 WeakPolarHBondContact O-CB 3.47Å; N367-Q371 VanDerWaalsContact O-CG 3.31Å; N367-Q371 WeakPolarHBondContact O-CG 3.49Å; N367-Q371 PolarHBondContact O-N 2.66Å; A368-Q371 PolarHBondContact O-N 3.16Å; Q371-L374 PolarHBondContact O-N 3.33Å; Q371-R375 PolarHBondContact O-N 3.41Å; Q371-F429 HydrophobicContact CB-CB 4.42Å; Q371-F429 HydrophobicContact CB-CD1 3.83Å; Q371-F429 HydrophobicContact CB-CD2 3.89Å; Q371-F429 HydrophobicContact CB-CE1 3.99Å; Q371-F429 HydrophobicContact CB-CE2 4.06Å; Q371-F429 HydrophobicContact CB-CG 3.78Å; Q371-F429 HydrophobicContact CB-CZ 4.12Å; Q371-F429 HydrophobicContact CG-CD1 4.44Å; Q371-Y440 VanDerWaalsContact CA-OH 3.24Å; Q371-Y440 WeakPolarHBondContact CA-OH 3.42Å; Q371-Y440 WeakPolarHBondContact CB-OH 3.4Å; Q371-Y440 WeakPolarHBondContact CG-OH 3.48Å; Q371-Y440 WeakPolarHBondContact O-CE2 3.27Å; Q371-Y440 PolarHBondContact O-OH 3.2Å
372E96.5Very high95.7Very high0 Ų018.5 Ų18.50%011%0.108CC..Hα-helixtrans-64.7-40.6176.9-17966.6164.300112.2A368 V370 L374 R375 L376 D423 Y424 D425 R428 F429A368-E372 WeakPolarHBondContact O-CB 3.19Å; A368-E372 PolarHBondContact O-N 2.93Å; V370-E372 PolarHBondContact O-N 3.12Å; E372-L374 VanDerWaalsContact C-N 3.35Å; E372-L374 PolarHBondContact O-N 3.49Å; E372-R375 WeakPolarHBondContact O-CB 3.1Å; E372-R375 PolarHBondContact O-N 2.95Å; E372-R375 IonicContact OE1-CZ 2.69Å; E372-R375 IonicContact OE1-NE 2.84Å; E372-R375 IonicContact OE1-NH2 2.78Å; E372-R375 PolarHBondContact OE1-NH2 3.27Å; E372-R375 IonicContact OE2-CZ 2.82Å; E372-R375 IonicContact OE2-NE 2.71Å; E372-R375 PolarHBondContact OE2-NE 3.14Å; E372-R375 IonicContact OE2-NH2 3.64Å; E372-R375 PolarHBondContact OE2-NH2 3.24Å; E372-L376 HydrophobicContact CG-CD1 4.48Å; E372-L376 PolarHBondContact O-N 3.44Å; E372-D423 VanDerWaalsContact OE1-O 3.04Å; E372-Y424 HydrophobicContact CB-CD2 4.39Å; E372-Y424 HydrophobicContact CB-CE2 3.96Å; E372-Y424 HydrophobicContact CG-CD2 3.52Å; E372-Y424 HydrophobicContact CG-CE2 3.6Å; E372-Y424 HydrophobicContact CG-CG 4.27Å; E372-D425 PolarHBondContact OE1-N 2.85Å; E372-R428 VanDerWaalsContact CD-NE 3.35Å; E372-R428 IonicContact OE1-CZ 2.78Å; E372-R428 IonicContact OE1-NE 3.74Å; E372-R428 PolarHBondContact OE1-NE 2.74Å; E372-R428 IonicContact OE1-NH2 3.76Å; E372-R428 PolarHBondContact OE1-NH2 3.16Å; E372-R428 VanDerWaalsContact OE2-CD 3.23Å; E372-R428 WeakPolarHBondContact OE2-CD 3.47Å; E372-R428 IonicContact OE2-NE 3.68Å; E372-R428 PolarHBondContact OE2-NE 2.83Å; E372-F429 HydrophobicContact CB-CD2 4.09Å; E372-F429 HydrophobicContact CB-CE2 4.02Å; E372-F429 VanDerWaalsContact OE2-CE2 3.32Å; E372-F429 WeakPolarHBondContact OE2-CE2 3.33Å
373S97.7Very high95.5Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-61.6-44.4175.3-56.20000111.5T328 A369 V370 R375 L376 R377 Y424T328-S373 WeakPolarHBondContact CA-OG 3.48Å; T328-S373 WeakPolarHBondContact OG1-CB 3.19Å; A369-S373 WeakPolarHBondContact O-CB 3.48Å; A369-S373 PolarHBondContact O-N 3.05Å; A369-S373 PolarHBondContact O-OG 3.3Å; V370-S373 PolarHBondContact O-N 3.27Å; S373-R375 VanDerWaalsContact C-N 3.34Å; S373-L376 PolarHBondContact O-N 3.33Å; S373-R377 PolarHBondContact O-N 3.24Å; S373-Y424 WeakPolarHBondContact OG-CE2 3.28Å; S373-Y424 PolarHBondContact OG-OH 3.08Å
374L96.7Very high95.2Very high6 Ų618.1 Ų18.13%0.03110%0.098CC..Hα-helixtrans-69.2-30.4176.9-67.1179.3000112.6V370 Q371 E372 R377 T378 P379 Q412 P442 F443 L457 L460V370-L374 HydrophobicContact CG1-CD1 3.98Å; V370-L374 HydrophobicContact CG1-CG 4.36Å; V370-L374 WeakPolarHBondContact O-CG 3.48Å; V370-L374 PolarHBondContact O-N 3.29Å; Q371-L374 PolarHBondContact O-N 3.33Å; E372-L374 VanDerWaalsContact C-N 3.35Å; E372-L374 PolarHBondContact O-N 3.49Å; L374-R377 CarbonylContact O-C 3.56Å; L374-T378 WeakPolarHBondContact O-CA 3.37Å; L374-T378 PolarHBondContact O-N 2.75Å; L374-T378 PolarHBondContact O-OG1 3.18Å; L374-P379 HydrophobicContact CD2-CG 4.16Å; L374-Q412 PolarHBondContact O-NE2 2.93Å; L374-P442 HydrophobicContact CB-CB 3.97Å; L374-P442 HydrophobicContact CB-CG 4.31Å; L374-F443 HydrophobicContact CD1-CE2 4.15Å; L374-F443 HydrophobicContact CD1-CZ 4Å; L374-L457 HydrophobicContact CD1-CD2 4.28Å; L374-L460 HydrophobicContact CD1-CD1 4.29Å
375R95.5Very high95.1Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-62.4-52.2173.3-172.4-171.863.380.8-3.2110.2Q371 E372 S373 Q412 W418 P421 D423 F429 Y440Q371-R375 PolarHBondContact O-N 3.41Å; E372-R375 WeakPolarHBondContact O-CB 3.1Å; E372-R375 PolarHBondContact O-N 2.95Å; E372-R375 IonicContact OE1-CZ 2.69Å; E372-R375 IonicContact OE1-NE 2.84Å; E372-R375 IonicContact OE1-NH2 2.78Å; E372-R375 PolarHBondContact OE1-NH2 3.27Å; E372-R375 IonicContact OE2-CZ 2.82Å; E372-R375 IonicContact OE2-NE 2.71Å; E372-R375 PolarHBondContact OE2-NE 3.14Å; E372-R375 IonicContact OE2-NH2 3.64Å; E372-R375 PolarHBondContact OE2-NH2 3.24Å; S373-R375 VanDerWaalsContact C-N 3.34Å; R375-Q412 HydrophobicContact CG-CB 3.95Å; R375-Q412 HydrophobicContact CG-CG 4.37Å; R375-Q412 PolarHBondContact NH1-O 3.37Å; R375-Q412 WeakPolarHBondContact O-CB 3.34Å; R375-Q412 PolarHBondContact O-NE2 3Å; R375-W418 VanDerWaalsContact CD-CE2 3.45Å; R375-W418 VanDerWaalsContact CD-CZ2 3.46Å; R375-W418 HydrophobicContact CG-CZ2 4.12Å; R375-P421 VanDerWaalsContact CZ-O 3.29Å; R375-P421 PolarHBondContact NH1-O 3.36Å; R375-P421 PolarHBondContact NH2-O 3.42Å; R375-D423 PolarHBondContact NH2-O 2.93Å; R375-F429 HydrophobicContact CB-CE2 4.43Å; R375-F429 HydrophobicContact CB-CZ 4.25Å; R375-Y440 HydrophobicContact CB-CD2 4.12Å; R375-Y440 HydrophobicContact CB-CE2 3.91Å; R375-Y440 HydrophobicContact CG-CD2 4.24Å
376L94.7Very high94.8Very high1 Ų113.9 Ų13.91%0.0058%0.078CC..Hα-helixtrans-72-35-177.2-72.9174.3000113.3Y331 E372 S373 R413 P421 Y424Y331-L376 HydrophobicContact CD1-CD1 4.24Å; Y331-L376 HydrophobicContact CE1-CD1 3.64Å; Y331-L376 HydrophobicContact CE2-CB 3.97Å; Y331-L376 HydrophobicContact CE2-CD1 4.23Å; Y331-L376 WeakPolarHBondContact OH-CB 3.45Å; E372-L376 HydrophobicContact CG-CD1 4.48Å; E372-L376 PolarHBondContact O-N 3.44Å; S373-L376 PolarHBondContact O-N 3.33Å; L376-R413 VanDerWaalsContact O-CD 3.3Å; L376-R413 WeakPolarHBondContact O-CD 3.22Å; L376-R413 PolarHBondContact O-NH1 3.32Å; L376-P421 WeakPolarHBondContact CD2-O 3.44Å; L376-Y424 HydrophobicContact CD1-CD2 3.75Å
377R94.2Very high94.7Very high24 Ų2413.9 Ų13.99%0.0918%0.078CC..SBendtrans-141.286.3-177.9-63.9-66.1-177.9-157.18.2110.5D63 W327 Y331 S373 L374 P379D63-R377 IonicContact OD1-NH1 3.62Å; D63-R377 IonicContact OD1-NH2 3.22Å; W327-R377 HydrophobicContact CB-CB 4.1Å; W327-R377 HydrophobicContact CD2-CB 3.47Å; W327-R377 VanDerWaalsContact CD2-CB 3.47Å; W327-R377 HydrophobicContact CD2-CG 3.72Å; W327-R377 HydrophobicContact CE3-CB 3.95Å; W327-R377 HydrophobicContact CE3-CG 3.65Å; W327-R377 HydrophobicContact CG-CB 3.52Å; W327-R377 HydrophobicContact CG-CG 4.25Å; W327-R377 HydrophobicContact CH2-CG 4.23Å; W327-R377 HydrophobicContact CZ2-CB 4.36Å; W327-R377 HydrophobicContact CZ2-CG 4.28Å; W327-R377 HydrophobicContact CZ3-CG 3.93Å; Y331-R377 HydrophobicContact CE2-CB 4.26Å; Y331-R377 HydrophobicContact CE2-CG 3.74Å; Y331-R377 VanDerWaalsContact OH-CG 3.3Å; Y331-R377 WeakPolarHBondContact OH-CG 3.36Å; S373-R377 PolarHBondContact O-N 3.24Å; L374-R377 CarbonylContact O-C 3.56Å; R377-P379 WeakPolarHBondContact O-CD 3.3Å
378T94Very high94.7Very high1 Ų114.7 Ų14.71%0.0068%0.082CC..  trans-78.5118.7178.1-59.60000111L374 A380 P381 Q412 P442 Q489L374-T378 WeakPolarHBondContact O-CA 3.37Å; L374-T378 PolarHBondContact O-N 2.75Å; L374-T378 PolarHBondContact O-OG1 3.18Å; T378-A380 PolarHBondContact O-N 3.37Å; T378-P381 VanDerWaalsContact O-CD 3.28Å; T378-P381 WeakPolarHBondContact O-CD 3.44Å; T378-Q412 PolarHBondContact OG1-NE2 3.29Å; T378-P442 HydrophobicContact CG2-CB 3.98Å; T378-P442 WeakPolarHBondContact CG2-O 3.42Å; T378-Q489 WeakPolarHBondContact O-CB 3.32Å; T378-Q489 PolarHBondContact O-OE1 3.48Å
379P93.8Very high94.7Very high9 Ų921.7 Ų21.76%0.05811%0.112CC..SBendtrans-54.9-30.9-178.4-30.137.3000115.2T320 L323 L374 R377 P381 T488 Q489T320-P379 WeakPolarHBondContact O-CG 3.43Å; L323-P379 HydrophobicContact CB-CB 4.07Å; L323-P379 HydrophobicContact CB-CG 4.2Å; L374-P379 HydrophobicContact CD2-CG 4.16Å; R377-P379 WeakPolarHBondContact O-CD 3.3Å; P379-P381 WeakPolarHBondContact O-CD 3.38Å; P379-T488 CarbonylContact O-C 3.55Å; P379-T488 WeakPolarHBondContact O-CA 3.33Å; P379-T488 VanDerWaalsContact O-CB 3.28Å; P379-T488 WeakPolarHBondContact O-CB 3.28Å; P379-Q489 PolarHBondContact O-N 3.5Å
380A91.9Very high94.7Very high42 Ų4226 Ų2635%0.34714%0.136SC..SBendtrans-120.473.117500000110.4T378 A382 H408T378-A380 PolarHBondContact O-N 3.37Å; A380-A382 PolarHBondContact O-N 2.92Å; A380-H408 PolarHBondContact O-CE1 3.12Å; A380-H408 PolarHBondContact O-NE2 3.16Å
381P92.1Very high94.7Very high0 Ų027.2 Ų27.20%014%0.142CC..  trans-76.5-9.4-162.634.8-40.6000113.9L62 T378 P379 H408 G409 M485 Q489L62-P381 HydrophobicContact CD1-CB 3.82Å; L62-P381 HydrophobicContact CD1-CG 3.85Å; L62-P381 HydrophobicContact CD2-CB 4.17Å; L62-P381 HydrophobicContact CD2-CG 4.16Å; T378-P381 VanDerWaalsContact O-CD 3.28Å; T378-P381 WeakPolarHBondContact O-CD 3.44Å; P379-P381 WeakPolarHBondContact O-CD 3.38Å; P381-H408 PolarHBondContact O-CE1 3.24Å; P381-H408 PolarHBondContact O-N 2.96Å; P381-H408 PolarHBondContact O-ND1 2.77Å; P381-G409 PolarHBondContact O-N 3.45Å; P381-M485 HydrophobicContact CG-CE 3.93Å; P381-M485 HydrophobicContact CG-CG 4.21Å; P381-M485 HydrophobicContact CG-SD 3.67Å; P381-Q489 HydrophobicContact CG-CB 3.99Å
382A91.4Very high94.7Very high23 Ų2331 Ų3119%0.1916%0.158CC..  trans-141.9157-172.800000112.8A380 L405 T406 L407 M485A380-A382 PolarHBondContact O-N 2.92Å; A382-L405 HydrophobicContact CB-CD1 4.03Å; A382-T406 CarbonylContact C-O 3.58Å; A382-T406 WeakPolarHBondContact CA-O 3.13Å; A382-L407 HydrophobicContact CB-CD2 3.4Å; A382-L407 VanDerWaalsContact CB-CD2 3.4Å; A382-M485 HydrophobicContact CB-CE 3.47Å; A382-M485 VanDerWaalsContact CB-CE 3.47Å; A382-M485 HydrophobicContact CB-SD 4.49Å
383S90Very high94.7Very high12 Ų1231 Ų318%0.08416%0.158CC..EExtended strand (participates in β ladder)trans-136.9141.1166.6-179.40000109.2R385 T406S383-R385 PolarHBondContact OG-NE 2.95Å; S383-T406 WeakPolarHBondContact CB-OG1 3.21Å; S383-T406 PolarHBondContact N-O 2.75Å; S383-T406 PolarHBondContact O-N 2.86Å; S383-T406 PolarHBondContact O-OG1 2.9Å
384L91.6Very high94.4Very high17 Ų1733.3 Ų33.39%0.08918%0.182CC..EExtended strand (participates in β ladder)trans-94.7131170.3-169.569.3000109.6K108 S109 T110 P111 K403 L405K108-L384 WeakPolarHBondContact CA-O 3.49Å; S109-L384 PolarHBondContact N-O 2.85Å; T110-L384 VanDerWaalsContact O-CD2 3.31Å; T110-L384 WeakPolarHBondContact O-CD2 3.4Å; P111-L384 HydrophobicContact CB-CD2 4.4Å; L384-K403 HydrophobicContact CD1-CB 4.21Å; L384-K403 HydrophobicContact CD2-CD 4.33Å; L384-L405 HydrophobicContact CD1-CB 4.14Å; L384-L405 HydrophobicContact CD1-CD1 4.33Å
385R93.8Very high94.3Very high17 Ų1740.5 Ų40.56%0.06422%0.221CC..EExtended strand (participates in β ladder)trans-117.4155179-57-63.8179.2158.31.7110.8I98 Y99 Y106 W107 S383 K403 V404 T406I98-R385 HydrophobicContact CG2-CB 4.41Å; I98-R385 HydrophobicContact CG2-CG 3.81Å; Y99-R385 VanDerWaalsContact CE1-NH2 3.34Å; Y106-R385 HydrophobicContact CD1-CB 4.22Å; W107-R385 CarbonylContact O-C 2.85Å; W107-R385 WeakPolarHBondContact O-CA 3.47Å; S383-R385 PolarHBondContact OG-NE 2.95Å; R385-K403 CarbonylContact O-C 3.57Å; R385-K403 VanDerWaalsContact O-CA 3.28Å; R385-K403 WeakPolarHBondContact O-CA 3.39Å; R385-V404 HydrophobicContact CB-CB 4.4Å; R385-V404 PolarHBondContact N-O 3.07Å; R385-V404 PolarHBondContact O-N 2.7Å; R385-T406 HydrophobicContact CG-CG2 4.11Å
386H92.7Very high94.3Very high59 Ų5943.7 Ų43.727%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-127.6122.6175.4-177.488.4000109W107 G401 T402W107-H386 PolarHBondContact N-O 3.42Å; W107-H386 VanDerWaalsContact N-O 3.1Å; W107-H386 PolarHBondContact O-N 2.86Å; H386-G401 VanDerWaalsContact CE1-C 3.48Å; H386-G401 WeakPolarHBondContact CE1-CA 3.47Å; H386-G401 PolarHBondContact CE1-O 3.38Å; H386-G401 PolarHBondContact ND1-O 2.78Å; H386-T402 WeakPolarHBondContact CA-O 3.48Å
387A96Very high94.3Very high0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-75.1120.1178.300000110.5N105 Y106 V398 G401 T402N105-A387 CarbonylContact O-C 3.39Å; N105-A387 WeakPolarHBondContact O-CA 3.35Å; Y106-A387 HydrophobicContact CD1-CB 4.34Å; Y106-A387 HydrophobicContact CE1-CB 3.92Å; A387-V398 HydrophobicContact CB-CG1 4.32Å; A387-G401 PolarHBondContact O-N 3.05Å; A387-T402 PolarHBondContact N-O 2.8Å
388L96.8Very high94.4Very high54 Ų5445.9 Ų45.928%0.28324%0.242SC..SBendtrans-82.2-22.8-179.5-65.4-178.5000113.8N105 W107 K400N105-L388 PolarHBondContact O-N 3.3Å; N105-L388 PolarHBondContact OD1-N 3.25Å; W107-L388 HydrophobicContact CD2-CD1 3.81Å; W107-L388 HydrophobicContact CD2-CD2 4.16Å; W107-L388 HydrophobicContact CD2-CG 4.4Å; W107-L388 HydrophobicContact CE3-CD2 4.29Å; W107-L388 HydrophobicContact CG-CD1 3.86Å; W107-L388 HydrophobicContact CG-CD2 4.3Å; W107-L388 HydrophobicContact CG-CG 4.22Å; W107-L388 HydrophobicContact CZ2-CD1 4.15Å; L388-K400 WeakPolarHBondContact O-CD 3.45Å; L388-K400 WeakPolarHBondContact O-CE 3.12Å; L388-K400 VanDerWaalsContact O-CG 3.3Å; L388-K400 WeakPolarHBondContact O-CG 3.46Å
389K97.6Very high94.4Very high148 Ų14847.2 Ų47.264%0.64325%0.25SS*.SBendtrans-137.9158.8178.1-57.1-178.6-179.1-178.20108.3N105N105-K389 PolarHBondContact ND2-O 2.73Å; N105-K389 VanDerWaalsContact ND2-O 3.13Å; N105-K389 WeakPolarHBondContact OD1-CA 3.49Å; N105-K389 WeakPolarHBondContact OD1-CB 3.34Å; N105-K389 PolarHBondContact OD1-N 3.31Å
390D97.6Very high94.5Very high91 Ų9153.7 Ų53.749%0.48728%0.278SS..  trans-55.5142.7169.9-56.8-28000109.8Y397 V398 P399 K400D390-Y397 HydrophobicContact CB-CE2 3.94Å; D390-Y397 PolarHBondContact OD1-OH 2.93Å; D390-Y397 PolarHBondContact OD2-OH 3.08Å; D390-V398 WeakPolarHBondContact CA-O 3.48Å; D390-P399 WeakPolarHBondContact OD1-CA 3.38Å; D390-K400 WeakPolarHBondContact OD1-CB 3.45Å; D390-K400 PolarHBondContact OD1-N 2.9Å
391D97.6Very high94.5Very high25 Ų2553.3 Ų53.313%0.13428%0.278CS..EExtended strand (participates in β ladder)trans-152.2172.7-179.3-157.74.7000111H97 N102 Y106 V398H97-D391 IonicContact CD2-OD2 3.92Å; H97-D391 IonicContact CE1-OD2 3.12Å; H97-D391 IonicContact NE2-OD1 2.71Å; H97-D391 IonicContact NE2-OD2 3.71Å; H97-D391 PolarHBondContact NE2-OD2 3.36Å; N102-D391 PolarHBondContact ND2-OD2 3.19Å; Y106-D391 VanDerWaalsContact CE2-OD2 3.31Å; Y106-D391 WeakPolarHBondContact CE2-OD2 3.31Å; Y106-D391 WeakPolarHBondContact OH-CB 3.41Å; Y106-D391 PolarHBondContact OH-OD2 3.3Å; D391-V398 PolarHBondContact N-O 2.94Å; D391-V398 PolarHBondContact O-N 3.21Å
392F97.3Very high94.5Very high121 Ų12154.3 Ų54.353%0.53128%0.284SS..EExtended strand (participates in β ladder)trans-115.8131.3168.4-74.5-95.8000110Y396 Y397F392-Y396 WeakPolarHBondContact CA-O 3.26Å; F392-Y397 HydrophobicContact CD2-CD2 4.5Å; F392-Y397 HydrophobicContact CE1-CD2 4.14Å; F392-Y397 AromaticContact CE2-CD2 3.93Å; F392-Y397 HydrophobicContact CE2-CD2 3.93Å; F392-Y397 AromaticContact CZ-CD2 3.73Å; F392-Y397 HydrophobicContact CZ-CD2 3.73Å; F392-Y397 HydrophobicContact CZ-CG 4.45Å
393L96.5Very high94.5Very high1 Ų155.5 Ų55.51%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-109.498.1171.4-67-172.8000108I75 V89 I94 I98 Y106 D395 Y396 V398 V404I75-L393 HydrophobicContact CD1-CB 3.66Å; I75-L393 HydrophobicContact CD1-CD1 4.18Å; V89-L393 HydrophobicContact CG2-CD1 4.09Å; I94-L393 HydrophobicContact CG2-CB 3.77Å; I94-L393 HydrophobicContact CG2-CD1 4.21Å; I94-L393 HydrophobicContact CG2-CD2 3.77Å; I94-L393 HydrophobicContact CG2-CG 4.12Å; I98-L393 HydrophobicContact CD1-CD1 4.01Å; I98-L393 HydrophobicContact CD1-CD2 3.98Å; I98-L393 HydrophobicContact CG1-CD2 3.78Å; Y106-L393 HydrophobicContact CE2-CD2 4.47Å; Y106-L393 WeakPolarHBondContact OH-CD2 3.2Å; L393-D395 PolarHBondContact O-N 2.86Å; L393-Y396 PolarHBondContact N-O 3.49Å; L393-Y396 WeakPolarHBondContact O-CD2 3.17Å; L393-Y396 PolarHBondContact O-N 2.79Å; L393-V398 HydrophobicContact CB-CG2 4.08Å; L393-V398 HydrophobicContact CD1-CG2 3.78Å; L393-V398 HydrophobicContact CG-CG2 3.68Å; L393-V404 HydrophobicContact CD1-CG1 4.11Å; L393-V404 HydrophobicContact CD1-CG2 4.28Å
394G91.6Very high94.7Very high49 Ų4954.9 Ų54.951%0.50528%0.281SS..THydrogen-bonded Turntrans60.6-129.6-162.500000109.7Y396G394-Y396 VanDerWaalsContact C-N 3.28Å; G394-Y396 PolarHBondContact O-N 2.9Å
395D93Very high94.9Very high157 Ų15755.2 Ų55.284%0.8428%0.283SS*.THydrogen-bonded Turntrans-84.50.6178.3-59-45.7000113.8L393L393-D395 PolarHBondContact O-N 2.86Å
396Y95.8Very high94.9Very high66 Ų6654.4 Ų54.426%0.25928%0.28SS..EExtended strand (participates in β ladder)trans-98.6123-172.3-58.5-81.2000112.3L37 L38 I75 F392 L393 G394 V398L37-Y396 WeakPolarHBondContact O-CE1 3.1Å; L38-Y396 HydrophobicContact CD1-CD1 4.04Å; L38-Y396 HydrophobicContact CD1-CG 4.27Å; L38-Y396 HydrophobicContact CG-CD1 3.82Å; L38-Y396 HydrophobicContact CG-CE1 4.42Å; L38-Y396 HydrophobicContact CG-CG 4.06Å; I75-Y396 HydrophobicContact CD1-CD2 4.04Å; I75-Y396 HydrophobicContact CD1-CG 4.45Å; I75-Y396 HydrophobicContact CG1-CD2 4.47Å; I75-Y396 HydrophobicContact CG2-CD2 3.5Å; I75-Y396 HydrophobicContact CG2-CE2 3.29Å; F392-Y396 WeakPolarHBondContact CA-O 3.26Å; L393-Y396 PolarHBondContact N-O 3.49Å; L393-Y396 WeakPolarHBondContact O-CD2 3.17Å; L393-Y396 PolarHBondContact O-N 2.79Å; G394-Y396 VanDerWaalsContact C-N 3.28Å; G394-Y396 PolarHBondContact O-N 2.9Å; Y396-V398 PolarHBondContact O-N 3.09Å
397Y95.6Very high95Very high71 Ų7151.7 Ų51.728%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-68.7127.5173.2179.6-112.9000111.8P33 D390 F392 P399P33-Y397 HydrophobicContact CB-CD1 4.05Å; P33-Y397 HydrophobicContact CG-CD1 4.28Å; P33-Y397 HydrophobicContact CG-CE1 4.47Å; D390-Y397 HydrophobicContact CB-CE2 3.94Å; D390-Y397 PolarHBondContact OD1-OH 2.93Å; D390-Y397 PolarHBondContact OD2-OH 3.08Å; F392-Y397 HydrophobicContact CD2-CD2 4.5Å; F392-Y397 HydrophobicContact CE1-CD2 4.14Å; F392-Y397 AromaticContact CE2-CD2 3.93Å; F392-Y397 HydrophobicContact CE2-CD2 3.93Å; F392-Y397 AromaticContact CZ-CD2 3.73Å; F392-Y397 HydrophobicContact CZ-CD2 3.73Å; F392-Y397 HydrophobicContact CZ-CG 4.45Å; Y397-P399 HydrophobicContact CD1-CG 4.14Å; Y397-P399 HydrophobicContact CE1-CB 4.27Å; Y397-P399 HydrophobicContact CE1-CG 3.76Å
398V95.4Very high94.9Very high0 Ų052 Ų520%027%0.269CS..EExtended strand (participates in β ladder)trans-118.3107.8178.1-178.90000109.6I87 A387 D390 D391 L393 Y396 T402 V404I87-V398 HydrophobicContact CD1-CB 4.47Å; I87-V398 HydrophobicContact CD1-CG1 4.04Å; I87-V398 HydrophobicContact CD1-CG2 3.73Å; A387-V398 HydrophobicContact CB-CG1 4.32Å; D390-V398 WeakPolarHBondContact CA-O 3.48Å; D391-V398 PolarHBondContact N-O 2.94Å; D391-V398 PolarHBondContact O-N 3.21Å; L393-V398 HydrophobicContact CB-CG2 4.08Å; L393-V398 HydrophobicContact CD1-CG2 3.78Å; L393-V398 HydrophobicContact CG-CG2 3.68Å; Y396-V398 PolarHBondContact O-N 3.09Å; V398-T402 HydrophobicContact CG1-CG2 3.93Å; V398-V404 HydrophobicContact CG1-CG2 4.45Å
399P94.5Very high94.7Very high29 Ų2949.5 Ų49.519%0.18826%0.256CS..  trans-64.5150.3176.4-17.828.3000112.4P33 D390 Y397 G401 T402P33-P399 HydrophobicContact CG-CG 4.32Å; D390-P399 WeakPolarHBondContact OD1-CA 3.38Å; Y397-P399 HydrophobicContact CD1-CG 4.14Å; Y397-P399 HydrophobicContact CE1-CB 4.27Å; Y397-P399 HydrophobicContact CE1-CG 3.76Å; P399-G401 PolarHBondContact O-N 3.26Å; P399-T402 WeakPolarHBondContact O-CB 3.42Å; P399-T402 PolarHBondContact O-N 3.23Å; P399-T402 VanDerWaalsContact O-N 3.16Å; P399-T402 PolarHBondContact O-OG1 2.66Å
400K95.4Very high94.6Very high145 Ų14542.5 Ų42.563%0.6323%0.225SC*.THydrogen-bonded Turntrans-47.9138.4164.5173.5175.3179.2-175.70110.5L388 D390 T402L388-K400 WeakPolarHBondContact O-CD 3.45Å; L388-K400 WeakPolarHBondContact O-CE 3.12Å; L388-K400 VanDerWaalsContact O-CG 3.3Å; L388-K400 WeakPolarHBondContact O-CG 3.46Å; D390-K400 WeakPolarHBondContact OD1-CB 3.45Å; D390-K400 PolarHBondContact OD1-N 2.9Å; K400-T402 VanDerWaalsContact C-N 3.29Å
401G91.5Very high94.4Very high35 Ų3538.1 Ų38.136%0.36120%0.202SC..THydrogen-bonded Turntrans91.3-11.6179.800000113.6H386 A387 P399H386-G401 VanDerWaalsContact CE1-C 3.48Å; H386-G401 WeakPolarHBondContact CE1-CA 3.47Å; H386-G401 PolarHBondContact CE1-O 3.38Å; H386-G401 PolarHBondContact ND1-O 2.78Å; A387-G401 PolarHBondContact O-N 3.05Å; P399-G401 PolarHBondContact O-N 3.26Å
402T92.4Very high94.2Very high20 Ų2037 Ų3712%0.12320%0.196CC..  trans-68.2136.8-177.6-57.30000111.3V34 I87 H386 A387 V398 P399 K400V34-T402 HydrophobicContact CG2-CG2 4.27Å; I87-T402 HydrophobicContact CD1-CG2 3.59Å; I87-T402 HydrophobicContact CG1-CG2 3.93Å; H386-T402 WeakPolarHBondContact CA-O 3.48Å; A387-T402 PolarHBondContact N-O 2.8Å; V398-T402 HydrophobicContact CG1-CG2 3.93Å; P399-T402 WeakPolarHBondContact O-CB 3.42Å; P399-T402 PolarHBondContact O-N 3.23Å; P399-T402 VanDerWaalsContact O-N 3.16Å; P399-T402 PolarHBondContact O-OG1 2.66Å; K400-T402 VanDerWaalsContact C-N 3.29Å
403K91.8Very high94.1Very high48 Ų4832 Ų3221%0.20917%0.174CC..EExtended strand (participates in β ladder)trans-89.7129.8172.2-71.2177.1179.1176.80110.2I87 L384 R385I87-K403 PolarHBondContact N-O 3.16Å; L384-K403 HydrophobicContact CD1-CB 4.21Å; L384-K403 HydrophobicContact CD2-CD 4.33Å; R385-K403 CarbonylContact O-C 3.57Å; R385-K403 VanDerWaalsContact O-CA 3.28Å; R385-K403 WeakPolarHBondContact O-CA 3.39Å
404V95.2Very high93.9Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-122114.7-178.2-173.90000108.9I87 V89 I98 Y106 R385 L393 V398 T406I87-V404 HydrophobicContact CB-CG1 4.33Å; I87-V404 HydrophobicContact CB-CG2 4.28Å; I87-V404 HydrophobicContact CD1-CG2 4.49Å; I87-V404 HydrophobicContact CG2-CG1 4.05Å; V89-V404 HydrophobicContact CB-CG1 4.48Å; V89-V404 HydrophobicContact CG2-CG1 3.58Å; I98-V404 HydrophobicContact CD1-CG1 3.9Å; Y106-V404 HydrophobicContact CE1-CG2 4.36Å; R385-V404 HydrophobicContact CB-CB 4.4Å; R385-V404 PolarHBondContact N-O 3.07Å; R385-V404 PolarHBondContact O-N 2.7Å; L393-V404 HydrophobicContact CD1-CG1 4.11Å; L393-V404 HydrophobicContact CD1-CG2 4.28Å; V398-V404 HydrophobicContact CG1-CG2 4.45Å; V404-T406 HydrophobicContact CG1-CG2 4.44Å
405L93.9Very high93.9Very high24 Ų2433.4 Ų33.413%0.12617%0.173CC..EExtended strand (participates in β ladder)trans-86.5107.1174.5-178.165.3000109F65 I87 V88 V89 A382 L384 L407F65-L405 HydrophobicContact CE1-CD2 4.44Å; F65-L405 HydrophobicContact CZ-CD2 4.07Å; I87-L405 PolarHBondContact O-N 3.23Å; V88-L405 CarbonylContact C-O 3.3Å; V88-L405 WeakPolarHBondContact CA-O 3.41Å; V88-L405 HydrophobicContact CG2-CB 4.38Å; V88-L405 HydrophobicContact CG2-CD2 4.31Å; V89-L405 PolarHBondContact N-O 2.88Å; A382-L405 HydrophobicContact CB-CD1 4.03Å; L384-L405 HydrophobicContact CD1-CB 4.14Å; L384-L405 HydrophobicContact CD1-CD1 4.33Å; L405-L407 HydrophobicContact CD1-CD2 4.46Å; L405-L407 HydrophobicContact CD2-CD1 4.26Å; L405-L407 HydrophobicContact CD2-CD2 4.07Å; L405-L407 HydrophobicContact CD2-CG 4.15Å; L405-L407 HydrophobicContact CG-CD2 4.09Å; L405-L407 HydrophobicContact CG-CG 4.05Å
406T94.8Very high93.7Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-88.6115.5176.3550000109.2L95 I98 Y99 A382 S383 R385 V404L95-T406 VanDerWaalsContact CD2-CB 3.43Å; L95-T406 HydrophobicContact CD2-CG2 3.67Å; I98-T406 HydrophobicContact CD1-CG2 3.9Å; I98-T406 HydrophobicContact CG2-CG2 3.93Å; Y99-T406 HydrophobicContact CE1-CG2 3.95Å; Y99-T406 WeakPolarHBondContact OH-CB 3.13Å; Y99-T406 PolarHBondContact OH-OG1 2.89Å; A382-T406 CarbonylContact C-O 3.58Å; A382-T406 WeakPolarHBondContact CA-O 3.13Å; S383-T406 WeakPolarHBondContact CB-OG1 3.21Å; S383-T406 PolarHBondContact N-O 2.75Å; S383-T406 PolarHBondContact O-N 2.86Å; S383-T406 PolarHBondContact O-OG1 2.9Å; R385-T406 HydrophobicContact CG-CG2 4.11Å; V404-T406 HydrophobicContact CG1-CG2 4.44Å
407L94.3Very high93.4Very high1 Ų132.2 Ų32.21%0.00517%0.171CC..  trans-109.771.9-176.5-70.5175000111.4L62 F65 V88 V89 T90 A382 L405 G409 V410 M411L62-L407 HydrophobicContact CD2-CD2 4.01Å; F65-L407 HydrophobicContact CB-CD1 3.5Å; F65-L407 VanDerWaalsContact CB-CD1 3.5Å; F65-L407 HydrophobicContact CD1-CD1 3.65Å; F65-L407 HydrophobicContact CD2-CD1 3.74Å; F65-L407 HydrophobicContact CE1-CD1 4.25Å; F65-L407 HydrophobicContact CE2-CD1 4.31Å; F65-L407 HydrophobicContact CG-CD1 3.36Å; V88-L407 HydrophobicContact CG1-CD1 3.41Å; V88-L407 VanDerWaalsContact CG1-CD1 3.41Å; V88-L407 HydrophobicContact CG1-CG 4.05Å; V89-L407 PolarHBondContact O-N 3.45Å; T90-L407 HydrophobicContact CG2-CB 3.86Å; A382-L407 HydrophobicContact CB-CD2 3.4Å; A382-L407 VanDerWaalsContact CB-CD2 3.4Å; L405-L407 HydrophobicContact CD1-CD2 4.46Å; L405-L407 HydrophobicContact CD2-CD1 4.26Å; L405-L407 HydrophobicContact CD2-CD2 4.07Å; L405-L407 HydrophobicContact CD2-CG 4.15Å; L405-L407 HydrophobicContact CG-CD2 4.09Å; L405-L407 HydrophobicContact CG-CG 4.05Å; L407-G409 VanDerWaalsContact C-N 3.27Å; L407-G409 PolarHBondContact O-N 3.18Å; L407-V410 HydrophobicContact CB-CB 4.05Å; L407-V410 HydrophobicContact CB-CG2 4.03Å; L407-V410 HydrophobicContact CD1-CG2 4.15Å; L407-V410 PolarHBondContact O-N 3.32Å; L407-M411 PolarHBondContact O-N 2.93Å; L407-M411 VanDerWaalsContact O-N 3.08Å
408H94.2Very high93.1Very high7 Ų729.8 Ų29.83%0.03216%0.161CC..Hα-helixtrans-68.4-26.7179.158.9-81000113.1L95 Y99 A380 P381 V410 M411 Q412 M441L95-H408 HydrophobicContact CD1-CB 4.14Å; Y99-H408 PolarHBondContact OH-ND1 3.4Å; A380-H408 PolarHBondContact O-CE1 3.12Å; A380-H408 PolarHBondContact O-NE2 3.16Å; P381-H408 PolarHBondContact O-CE1 3.24Å; P381-H408 PolarHBondContact O-N 2.96Å; P381-H408 PolarHBondContact O-ND1 2.77Å; H408-V410 VanDerWaalsContact C-N 3.31Å; H408-V410 PolarHBondContact O-N 3.38Å; H408-M411 HydrophobicContact CB-CE 3.8Å; H408-M411 PolarHBondContact O-N 2.65Å; H408-Q412 VanDerWaalsContact O-CG 3.3Å; H408-Q412 WeakPolarHBondContact O-CG 3.41Å; H408-Q412 PolarHBondContact O-N 2.8Å; H408-Q412 VanDerWaalsContact O-N 3.08Å; H408-M441 HydrophobicContact CB-CG 3.51Å; H408-M441 HydrophobicContact CB-SD 3.56Å; H408-M441 VanDerWaalsContact CB-SD 3.56Å; H408-M441 PolarHBondContact CD2-O 3.34Å
409G93.7Very high92.8Very high2 Ų236.6 Ų36.62%0.02120%0.198CC..Hα-helixtrans-65.2-33.1172.200000113.3P381 L407 R413P381-G409 PolarHBondContact O-N 3.45Å; L407-G409 VanDerWaalsContact C-N 3.27Å; L407-G409 PolarHBondContact O-N 3.18Å; G409-R413 WeakPolarHBondContact O-CD 3.3Å
410V93.9Very high92.7Very high0 Ų039 Ų390%022%0.215CC..Hα-helixtrans-73.2-48.4173.1169.60000109.9L62 F65 E66 A69 T90 L407 H408 Q412 R413 L414L62-V410 HydrophobicContact CB-CG2 4.17Å; L62-V410 HydrophobicContact CD2-CG2 3.85Å; F65-V410 HydrophobicContact CB-CG2 3.96Å; E66-V410 HydrophobicContact CB-CG1 4.35Å; E66-V410 HydrophobicContact CG-CB 4.25Å; E66-V410 HydrophobicContact CG-CG1 3.68Å; E66-V410 HydrophobicContact CG-CG2 4.1Å; A69-V410 HydrophobicContact CB-CG1 4.13Å; T90-V410 HydrophobicContact CG2-CB 3.89Å; T90-V410 HydrophobicContact CG2-CG1 3.63Å; L407-V410 HydrophobicContact CB-CB 4.05Å; L407-V410 HydrophobicContact CB-CG2 4.03Å; L407-V410 HydrophobicContact CD1-CG2 4.15Å; L407-V410 PolarHBondContact O-N 3.32Å; H408-V410 VanDerWaalsContact C-N 3.31Å; H408-V410 PolarHBondContact O-N 3.38Å; V410-Q412 PolarHBondContact O-N 2.62Å; V410-Q412 VanDerWaalsContact O-N 3.16Å; V410-R413 WeakPolarHBondContact O-CA 3.38Å; V410-R413 WeakPolarHBondContact O-CB 3.29Å; V410-R413 PolarHBondContact O-N 3.34Å; V410-L414 HydrophobicContact CG1-CD2 4.23Å; V410-L414 HydrophobicContact CG1-CG 4.39Å; V410-L414 PolarHBondContact O-N 3.2Å
411M94.8Very high92.5Very high0 Ų033 Ų330%019%0.19CC..Hα-helixtrans-50-41.3178.1175.9-89.1-59.900112.8T90 P92 L95 L407 H408 R413 L414 N417 V439 M441T90-M411 WeakPolarHBondContact O-CB 3.15Å; T90-M411 WeakPolarHBondContact O-CG 3.45Å; P92-M411 HydrophobicContact CG-CG 3.94Å; P92-M411 HydrophobicContact CG-SD 4.12Å; L95-M411 HydrophobicContact CD1-CB 4.07Å; L95-M411 HydrophobicContact CD1-CE 3.83Å; L95-M411 HydrophobicContact CD1-CG 3.94Å; L407-M411 PolarHBondContact O-N 2.93Å; L407-M411 VanDerWaalsContact O-N 3.08Å; H408-M411 HydrophobicContact CB-CE 3.8Å; H408-M411 PolarHBondContact O-N 2.65Å; M411-R413 PolarHBondContact O-N 3.26Å; M411-R413 VanDerWaalsContact O-N 3.14Å; M411-L414 PolarHBondContact O-N 3.42Å; M411-N417 PolarHBondContact O-ND2 3.46Å; M411-V439 HydrophobicContact SD-CB 4.13Å; M411-V439 HydrophobicContact SD-CG1 4.47Å; M411-M441 HydrophobicContact CE-CE 3.53Å; M411-M441 HydrophobicContact CE-CG 3.63Å; M411-M441 HydrophobicContact CE-SD 3.61Å
412Q93.7Very high92.6Very high0 Ų036 Ų360%020%0.198CC..THydrogen-bonded Turntrans-66.4-8.4177.3-78.5168.1-16200115.4L374 R375 T378 H408 V410 W418 V439 M441L374-Q412 PolarHBondContact O-NE2 2.93Å; R375-Q412 HydrophobicContact CG-CB 3.95Å; R375-Q412 HydrophobicContact CG-CG 4.37Å; R375-Q412 PolarHBondContact NH1-O 3.37Å; R375-Q412 WeakPolarHBondContact O-CB 3.34Å; R375-Q412 PolarHBondContact O-NE2 3Å; T378-Q412 PolarHBondContact OG1-NE2 3.29Å; H408-Q412 VanDerWaalsContact O-CG 3.3Å; H408-Q412 WeakPolarHBondContact O-CG 3.41Å; H408-Q412 PolarHBondContact O-N 2.8Å; H408-Q412 VanDerWaalsContact O-N 3.08Å; V410-Q412 PolarHBondContact O-N 2.62Å; V410-Q412 VanDerWaalsContact O-N 3.16Å; Q412-W418 PolarHBondContact O-NE1 3.19Å; Q412-V439 VanDerWaalsContact CG-O 3.24Å; Q412-V439 WeakPolarHBondContact CG-O 3.38Å; Q412-M441 VanDerWaalsContact OE1-C 3.22Å
413R93.3Very high92.7Very high18 Ų1839.8 Ų39.87%0.06822%0.217CC..THydrogen-bonded Turntrans-117.82.9-177.1-64.1163.160.274.812.3112.7E66 L376 G409 V410 M411 P421 L422E66-R413 WeakPolarHBondContact OE1-CD 3.21Å; E66-R413 IonicContact OE1-CZ 2.7Å; E66-R413 IonicContact OE1-NE 3.25Å; E66-R413 PolarHBondContact OE1-NE 3.44Å; E66-R413 IonicContact OE1-NH2 3.31Å; E66-R413 IonicContact OE2-CZ 3.29Å; E66-R413 IonicContact OE2-NE 2.7Å; E66-R413 PolarHBondContact OE2-NE 3Å; E66-R413 VanDerWaalsContact OE2-NE 3.08Å; E66-R413 IonicContact OE2-NH2 3.43Å; E66-R413 PolarHBondContact OE2-NH2 3.22Å; L376-R413 VanDerWaalsContact O-CD 3.3Å; L376-R413 WeakPolarHBondContact O-CD 3.22Å; L376-R413 PolarHBondContact O-NH1 3.32Å; G409-R413 WeakPolarHBondContact O-CD 3.3Å; V410-R413 WeakPolarHBondContact O-CA 3.38Å; V410-R413 WeakPolarHBondContact O-CB 3.29Å; V410-R413 PolarHBondContact O-N 3.34Å; M411-R413 PolarHBondContact O-N 3.26Å; M411-R413 VanDerWaalsContact O-N 3.14Å; R413-P421 VanDerWaalsContact O-CB 3.25Å; R413-P421 WeakPolarHBondContact O-CB 3.48Å; R413-P421 WeakPolarHBondContact O-CG 3.35Å; R413-L422 HydrophobicContact CB-CD2 4.19Å
414L93Very high93Very high14 Ų1438.3 Ų38.37%0.07321%0.21CC..  trans-82.6140.3-179.5-65.2176.8000111.6A69 E70 V410 M411 N416 N417 W418A69-L414 HydrophobicContact CB-CD1 4.07Å; A69-L414 HydrophobicContact CB-CD2 3.95Å; E70-L414 HydrophobicContact CG-CD2 4.14Å; V410-L414 HydrophobicContact CG1-CD2 4.23Å; V410-L414 HydrophobicContact CG1-CG 4.39Å; V410-L414 PolarHBondContact O-N 3.2Å; M411-L414 PolarHBondContact O-N 3.42Å; L414-N416 PolarHBondContact O-N 3.28Å; L414-N417 PolarHBondContact O-N 3.43Å; L414-N417 VanDerWaalsContact O-N 3.09Å; L414-W418 PolarHBondContact O-N 2.93Å
415P91Very high93Very high65 Ų6541 Ų4142%0.42223%0.225SC..THydrogen-bonded Turntrans-65.9-22.8-178.525.6-34.4000113.7N417 P421P415-N417 PolarHBondContact O-N 2.93Å; P415-P421 HydrophobicContact CB-CG 4.1Å
416N89.1Confident93Very high156 Ų15639.8 Ų39.883%0.83422%0.219SC*.THydrogen-bonded Turntrans-69.5-18.7175.9-65.7-8.9000113L414L414-N416 PolarHBondContact O-N 3.28Å
417N89.7Confident92.9Very high42 Ų4242.3 Ų42.323%0.22524%0.236CC..THydrogen-bonded Turntrans-107.5-25.1-176-62.9-27.9000112.8P92 M411 L414 P415 V439P92-N417 WeakPolarHBondContact CG-OD1 3.32Å; M411-N417 PolarHBondContact O-ND2 3.46Å; L414-N417 PolarHBondContact O-N 3.43Å; L414-N417 VanDerWaalsContact O-N 3.09Å; P415-N417 PolarHBondContact O-N 2.93Å; N417-V439 HydrophobicContact CB-CB 4.28Å; N417-V439 HydrophobicContact CB-CG1 4.02Å
418W90Very high92.8Very high19 Ų1944.3 Ų44.37%0.07224%0.244CC..SBendtrans-141.3134.3-174.8-60.288.8000111.1R375 Q412 L414 C420 P421 R428 F429 I436 V439R375-W418 VanDerWaalsContact CD-CE2 3.45Å; R375-W418 VanDerWaalsContact CD-CZ2 3.46Å; R375-W418 HydrophobicContact CG-CZ2 4.12Å; Q412-W418 PolarHBondContact O-NE1 3.19Å; L414-W418 PolarHBondContact O-N 2.93Å; W418-C420 PolarHBondContact O-N 3.05Å; W418-P421 HydrophobicContact CB-CB 3.92Å; W418-P421 WeakPolarHBondContact O-CD 3.35Å; W418-R428 HydrophobicContact CZ3-CG 4.36Å; W418-F429 HydrophobicContact CH2-CE1 4.25Å; W418-F429 AromaticContact CH2-CZ 3.88Å; W418-F429 HydrophobicContact CH2-CZ 3.88Å; W418-F429 HydrophobicContact CZ3-CZ 4.33Å; W418-I436 HydrophobicContact CH2-CB 4.41Å; W418-I436 HydrophobicContact CH2-CD1 4.36Å; W418-I436 HydrophobicContact CH2-CG1 3.91Å; W418-I436 HydrophobicContact CH2-CG2 3.82Å; W418-I436 HydrophobicContact CZ2-CG2 4.36Å; W418-I436 HydrophobicContact CZ3-CD1 4.47Å; W418-I436 HydrophobicContact CZ3-CG1 4.23Å; W418-V439 HydrophobicContact CZ2-CB 4.47Å; W418-V439 HydrophobicContact CZ2-CG2 3.8Å
419N88.4Confident92.7Very high143 Ų14344.8 Ų44.877%0.76525%0.246SC*.SBendtrans-68.4130.2168.8-68.2-28.4000109.8R428N419-R428 PolarHBondContact O-NH1 3.41Å
420C91.7Very high92.5Very high81 Ų8148.2 Ų48.255%0.54726%0.263SS..SBendtrans45.962.8-174.5-59.60000111.1W418 L422 D423W418-C420 PolarHBondContact O-N 3.05Å; C420-L422 PolarHBondContact O-N 3.22Å; C420-L422 VanDerWaalsContact O-N 3.07Å; C420-D423 HydrophobicContact CB-CB 4.21Å; C420-D423 WeakPolarHBondContact CB-OD2 3.27Å; C420-D423 PolarHBondContact O-N 3.29Å; C420-D423 VanDerWaalsContact O-N 3.15Å
421P92.3Very high91.6Very high18 Ų1854 Ų5412%0.11729%0.294CS..THydrogen-bonded Turntrans-65.4-21.6-163.229.2-38.7000113.3R375 L376 R413 P415 W418R375-P421 VanDerWaalsContact CZ-O 3.29Å; R375-P421 PolarHBondContact NH1-O 3.36Å; R375-P421 PolarHBondContact NH2-O 3.42Å; L376-P421 WeakPolarHBondContact CD2-O 3.44Å; R413-P421 VanDerWaalsContact O-CB 3.25Å; R413-P421 WeakPolarHBondContact O-CB 3.48Å; R413-P421 WeakPolarHBondContact O-CG 3.35Å; P415-P421 HydrophobicContact CB-CG 4.1Å; W418-P421 HydrophobicContact CB-CB 3.92Å; W418-P421 WeakPolarHBondContact O-CD 3.35Å
422L93.2Very high90Very high99 Ų9962.9 Ų62.952%0.51834%0.335SS..THydrogen-bonded Turntrans-95.2-11.6-176.9-58.1-173.8000113.4R413 C420R413-L422 HydrophobicContact CB-CD2 4.19Å; C420-L422 PolarHBondContact O-N 3.22Å; C420-L422 VanDerWaalsContact O-N 3.07Å
423D95.3Very high88Confident98 Ų9872.1 Ų72.152%0.52438%0.376SS..SBendtrans-74.6139.7176.1-67.2-9.4000109.5E372 R375 C420 D425E372-D423 VanDerWaalsContact OE1-O 3.04Å; R375-D423 PolarHBondContact NH2-O 2.93Å; C420-D423 HydrophobicContact CB-CB 4.21Å; C420-D423 WeakPolarHBondContact CB-OD2 3.27Å; C420-D423 PolarHBondContact O-N 3.29Å; C420-D423 VanDerWaalsContact O-N 3.15Å; D423-D425 PolarHBondContact O-N 3.36Å
424Y96.9Very high85.8Confident17 Ų1774.1 Ų74.17%0.06740%0.396CS..  trans-84.1101.9174.1-174.6-105.3000109.3Y331 L332 H335 E338 A369 E372 S373 L376 P426Y331-Y424 VanDerWaalsContact CB-CE2 3.5Å; Y331-Y424 AromaticContact CD1-CD2 3.65Å; Y331-Y424 HydrophobicContact CD1-CD2 3.65Å; Y331-Y424 HydrophobicContact CD1-CE2 4.24Å; Y331-Y424 HydrophobicContact CD1-CG 4.02Å; Y331-Y424 HydrophobicContact CD2-CD2 4.37Å; Y331-Y424 HydrophobicContact CD2-CE2 4.29Å; Y331-Y424 HydrophobicContact CE1-CD2 4.37Å; Y331-Y424 AromaticContact CG-CD2 3.67Å; Y331-Y424 HydrophobicContact CG-CD2 3.67Å; Y331-Y424 AromaticContact CG-CE2 3.77Å; Y331-Y424 HydrophobicContact CG-CE2 3.77Å; Y331-Y424 HydrophobicContact CG-CG 4.34Å; L332-Y424 HydrophobicContact CD2-CE1 4.38Å; H335-Y424 HydrophobicContact CB-CD1 4.11Å; H335-Y424 VanDerWaalsContact CE1-CB 3.41Å; H335-Y424 WeakPolarHBondContact CE1-CB 3.18Å; H335-Y424 AromaticContact CE1-CG 3.95Å; H335-Y424 AromaticContact CG-CD1 3.71Å; H335-Y424 AromaticContact ND1-CD1 3.59Å; H335-Y424 AromaticContact ND1-CG 3.89Å; E338-Y424 HydrophobicContact CB-CE1 4.15Å; E338-Y424 HydrophobicContact CG-CD1 4.27Å; E338-Y424 HydrophobicContact CG-CE1 4.22Å; A369-Y424 WeakPolarHBondContact CB-OH 3.33Å; A369-Y424 PolarHBondContact O-OH 3.07Å; E372-Y424 HydrophobicContact CB-CD2 4.39Å; E372-Y424 HydrophobicContact CB-CE2 3.96Å; E372-Y424 HydrophobicContact CG-CD2 3.52Å; E372-Y424 HydrophobicContact CG-CE2 3.6Å; E372-Y424 HydrophobicContact CG-CG 4.27Å; S373-Y424 WeakPolarHBondContact OG-CE2 3.28Å; S373-Y424 PolarHBondContact OG-OH 3.08Å; L376-Y424 HydrophobicContact CD1-CD2 3.75Å; Y424-P426 HydrophobicContact CD1-CG 4.19Å; Y424-P426 HydrophobicContact CE1-CG 3.57Å
425D95.1Very high83.9Confident56 Ų5679.6 Ų79.630%0.29943%0.425SS..  trans-131.694.2179.417517.6000109.8E372 D423 S427 R428E372-D425 PolarHBondContact OE1-N 2.85Å; D423-D425 PolarHBondContact O-N 3.36Å; D425-S427 PolarHBondContact O-N 3.49Å; D425-S427 VanDerWaalsContact OD1-CB 3.28Å; D425-S427 WeakPolarHBondContact OD1-CB 2.99Å; D425-S427 PolarHBondContact OD1-N 2.97Å; D425-S427 PolarHBondContact OD1-OG 3.31Å; D425-S427 PolarHBondContact OD2-OG 3.31Å; D425-R428 VanDerWaalsContact O-CG 3.27Å; D425-R428 WeakPolarHBondContact O-CG 3.04Å; D425-R428 PolarHBondContact O-NE 3.16Å
426P95.5Very high82.9Confident0 Ų077.6 Ų77.60%041%0.41CS..G310 helixtrans-57.5-31.1173.4-27.837.3000113.4E338 Y365 A368 A369 Y424 R428 F429E338-P426 HydrophobicContact CG-CG 4.49Å; Y365-P426 HydrophobicContact CE1-CB 4.35Å; A368-P426 HydrophobicContact CB-CB 4.31Å; A368-P426 WeakPolarHBondContact CB-O 3.36Å; A369-P426 HydrophobicContact CB-CB 4.29Å; A369-P426 HydrophobicContact CB-CG 4.2Å; Y424-P426 HydrophobicContact CD1-CG 4.19Å; Y424-P426 HydrophobicContact CE1-CG 3.57Å; P426-R428 PolarHBondContact O-N 3.34Å; P426-F429 PolarHBondContact O-N 3.28Å
427S92.7Very high81.9Confident52 Ų5276.9 Ų76.936%0.36441%0.407SS..G310 helixtrans-62.6-22.9-171.776.80000113.3D425 F429 L430D425-S427 PolarHBondContact O-N 3.49Å; D425-S427 VanDerWaalsContact OD1-CB 3.28Å; D425-S427 WeakPolarHBondContact OD1-CB 2.99Å; D425-S427 PolarHBondContact OD1-N 2.97Å; D425-S427 PolarHBondContact OD1-OG 3.31Å; D425-S427 PolarHBondContact OD2-OG 3.31Å; S427-F429 PolarHBondContact O-N 3.47Å; S427-L430 WeakPolarHBondContact O-CB 3.33Å; S427-L430 PolarHBondContact O-N 3.23Å
428R91.3Very high81.5Confident44 Ų4476.9 Ų76.917%0.16641%0.407CS..G310 helixtrans-58.6-19.5174.481.3177.566.6-109.112.8114.4E372 W418 N419 D425 P426E372-R428 VanDerWaalsContact CD-NE 3.35Å; E372-R428 IonicContact OE1-CZ 2.78Å; E372-R428 IonicContact OE1-NE 3.74Å; E372-R428 PolarHBondContact OE1-NE 2.74Å; E372-R428 IonicContact OE1-NH2 3.76Å; E372-R428 PolarHBondContact OE1-NH2 3.16Å; E372-R428 VanDerWaalsContact OE2-CD 3.23Å; E372-R428 WeakPolarHBondContact OE2-CD 3.47Å; E372-R428 IonicContact OE2-NE 3.68Å; E372-R428 PolarHBondContact OE2-NE 2.83Å; W418-R428 HydrophobicContact CZ3-CG 4.36Å; N419-R428 PolarHBondContact O-NH1 3.41Å; D425-R428 VanDerWaalsContact O-CG 3.27Å; D425-R428 WeakPolarHBondContact O-CG 3.04Å; D425-R428 PolarHBondContact O-NE 3.16Å; P426-R428 PolarHBondContact O-N 3.34Å
429F92.2Very high81.5Confident17 Ų1777 Ų778%0.07541%0.41CS..G310 helixtrans-99.5-4.5179.2-74.8-78.4000113.9A368 Q371 E372 R375 W418 P426 S427 I436 Y440A368-F429 HydrophobicContact CB-CB 3.92Å; Q371-F429 HydrophobicContact CB-CB 4.42Å; Q371-F429 HydrophobicContact CB-CD1 3.83Å; Q371-F429 HydrophobicContact CB-CD2 3.89Å; Q371-F429 HydrophobicContact CB-CE1 3.99Å; Q371-F429 HydrophobicContact CB-CE2 4.06Å; Q371-F429 HydrophobicContact CB-CG 3.78Å; Q371-F429 HydrophobicContact CB-CZ 4.12Å; Q371-F429 HydrophobicContact CG-CD1 4.44Å; E372-F429 HydrophobicContact CB-CD2 4.09Å; E372-F429 HydrophobicContact CB-CE2 4.02Å; E372-F429 VanDerWaalsContact OE2-CE2 3.32Å; E372-F429 WeakPolarHBondContact OE2-CE2 3.33Å; R375-F429 HydrophobicContact CB-CE2 4.43Å; R375-F429 HydrophobicContact CB-CZ 4.25Å; W418-F429 HydrophobicContact CH2-CE1 4.25Å; W418-F429 AromaticContact CH2-CZ 3.88Å; W418-F429 HydrophobicContact CH2-CZ 3.88Å; W418-F429 HydrophobicContact CZ3-CZ 4.33Å; P426-F429 PolarHBondContact O-N 3.28Å; S427-F429 PolarHBondContact O-N 3.47Å; F429-I436 HydrophobicContact CD1-CD1 4.4Å; F429-I436 HydrophobicContact CE1-CD1 4.44Å; F429-I436 HydrophobicContact CE1-CG2 4.1Å; F429-Y440 HydrophobicContact CE1-CD1 4.44Å; F429-Y440 AromaticContact CE1-CD2 3.92Å; F429-Y440 HydrophobicContact CE1-CD2 3.92Å; F429-Y440 HydrophobicContact CE1-CE1 4.42Å; F429-Y440 AromaticContact CE1-CE2 3.89Å; F429-Y440 HydrophobicContact CE1-CE2 3.89Å; F429-Y440 HydrophobicContact CE1-CG 4.2Å; F429-Y440 AromaticContact CZ-CD2 3.74Å; F429-Y440 HydrophobicContact CZ-CD2 3.74Å; F429-Y440 AromaticContact CZ-CE2 3.64Å; F429-Y440 HydrophobicContact CZ-CE2 3.64Å; F429-Y440 HydrophobicContact CZ-CG 4.44Å
430L90.3Very high81.8Confident73 Ų7372 Ų7238%0.38238%0.38SS..THydrogen-bonded Turntrans-77.8-44.4178-62175.8000111.3Y365 A368 S427 Q432Y365-L430 HydrophobicContact CD2-CD1 3.9Å; Y365-L430 HydrophobicContact CD2-CD2 4.2Å; Y365-L430 HydrophobicContact CE2-CD1 3.92Å; A368-L430 HydrophobicContact CB-CD2 3.8Å; A368-L430 HydrophobicContact CB-CG 4.28Å; S427-L430 WeakPolarHBondContact O-CB 3.33Å; S427-L430 PolarHBondContact O-N 3.23Å; L430-Q432 PolarHBondContact O-N 2.85Å
431D74.5Confident81.9Confident123 Ų12368.6 Ų68.666%0.65836%0.356SS*.SBendtrans-84.292.9173.8-78.7-36.2000109.5K433D431-K433 PolarHBondContact O-N 3.05Å
432Q60.2Low82Confident185 Ų18568.3 Ų68.386%0.86436%0.355SS*.THydrogen-bonded Turntrans-59.614.8178-68.3-175.33.300115.3L430L430-Q432 PolarHBondContact O-N 2.85Å
433K52.2Low82.1Confident195 Ų19565.5 Ų65.585%0.84834%0.338SS*.THydrogen-bonded Turntrans-81.3-16.4-174.2-74.6-175.7178.5172.10114.9D431D431-K433 PolarHBondContact O-N 3.05Å
434A46.4Very low82Confident59 Ų5961.6 Ų61.649%0.48832%0.322SS..SBendtrans-85.8146.3-175.900000111.3I436A434-I436 HydrophobicContact CB-CD1 3.84Å; A434-I436 HydrophobicContact CB-CG1 3.64Å; A434-I436 PolarHBondContact O-N 3.35Å
435D54.7Low81.9Confident130 Ų13061.9 Ų61.970%0.69533%0.327SS*.  trans-63.836.2175.9-145.2-4.3000112.9N437D435-N437 PolarHBondContact O-N 3.26Å; D435-N437 VanDerWaalsContact O-N 3.11Å
436I69.3Low81.8Confident22 Ų2260.6 Ų60.611%0.11333%0.327CS..Hα-helixtrans-60-23.8-175.4-68.3169.2000110.6W418 F429 A434 D438 V439 Y440W418-I436 HydrophobicContact CH2-CB 4.41Å; W418-I436 HydrophobicContact CH2-CD1 4.36Å; W418-I436 HydrophobicContact CH2-CG1 3.91Å; W418-I436 HydrophobicContact CH2-CG2 3.82Å; W418-I436 HydrophobicContact CZ2-CG2 4.36Å; W418-I436 HydrophobicContact CZ3-CD1 4.47Å; W418-I436 HydrophobicContact CZ3-CG1 4.23Å; F429-I436 HydrophobicContact CD1-CD1 4.4Å; F429-I436 HydrophobicContact CE1-CD1 4.44Å; F429-I436 HydrophobicContact CE1-CG2 4.1Å; A434-I436 HydrophobicContact CB-CD1 3.84Å; A434-I436 HydrophobicContact CB-CG1 3.64Å; A434-I436 PolarHBondContact O-N 3.35Å; I436-D438 PolarHBondContact O-N 2.96Å; I436-D438 VanDerWaalsContact O-N 3.13Å; I436-V439 CarbonylContact O-C 3.33Å; I436-V439 PolarHBondContact O-N 3.38Å; I436-Y440 HydrophobicContact CG2-CD1 4.29Å; I436-Y440 HydrophobicContact CG2-CG 3.89Å; I436-Y440 VanDerWaalsContact O-CB 3.25Å; I436-Y440 WeakPolarHBondContact O-CB 3.43Å; I436-Y440 PolarHBondContact O-N 3.46Å
437N68.2Low81.7Confident141 Ų14163 Ų6375%0.75434%0.343SS*.Hα-helixtrans-56.8-32.9-175-73.3-39.1000113.4D435D435-N437 PolarHBondContact O-N 3.26Å; D435-N437 VanDerWaalsContact O-N 3.11Å
438D81.2Confident81.7Confident42 Ų4262.4 Ų62.423%0.22533%0.332CS..Hα-helixtrans-91.5-19.3179.9-71.2-33.8000112.9K96 I436 M441K96-D438 WeakPolarHBondContact CD-OD1 3.48Å; K96-D438 WeakPolarHBondContact CE-OD1 3.41Å; K96-D438 VanDerWaalsContact NZ-CG 3.26Å; K96-D438 IonicContact NZ-OD1 3.3Å; K96-D438 PolarHBondContact NZ-OD1 2.95Å; K96-D438 VanDerWaalsContact NZ-OD1 3.12Å; K96-D438 IonicContact NZ-OD2 2.87Å; K96-D438 PolarHBondContact NZ-OD2 2.94Å; I436-D438 PolarHBondContact O-N 2.96Å; I436-D438 VanDerWaalsContact O-N 3.13Å; D438-M441 WeakPolarHBondContact O-CE 3.21Å
439V91.1Very high81.9Confident22 Ų2264.2 Ų64.213%0.13334%0.341CS..Hα-helixtrans-111.51-177.3-62.90000115P92 M411 Q412 N417 W418 I436P92-V439 HydrophobicContact CB-CG1 3.96Å; P92-V439 HydrophobicContact CG-CG1 3.72Å; M411-V439 HydrophobicContact SD-CB 4.13Å; M411-V439 HydrophobicContact SD-CG1 4.47Å; Q412-V439 VanDerWaalsContact CG-O 3.24Å; Q412-V439 WeakPolarHBondContact CG-O 3.38Å; N417-V439 HydrophobicContact CB-CB 4.28Å; N417-V439 HydrophobicContact CB-CG1 4.02Å; W418-V439 HydrophobicContact CZ2-CB 4.47Å; W418-V439 HydrophobicContact CZ2-CG2 3.8Å; I436-V439 CarbonylContact O-C 3.33Å; I436-V439 PolarHBondContact O-N 3.38Å
440Y93.7Very high82.1Confident37 Ų3765.9 Ų65.915%0.14536%0.355CS..  trans-127.5108.6176.3-178.6-103.2000111.1Q371 R375 F429 I436 P442Q371-Y440 VanDerWaalsContact CA-OH 3.24Å; Q371-Y440 WeakPolarHBondContact CA-OH 3.42Å; Q371-Y440 WeakPolarHBondContact CB-OH 3.4Å; Q371-Y440 WeakPolarHBondContact CG-OH 3.48Å; Q371-Y440 WeakPolarHBondContact O-CE2 3.27Å; Q371-Y440 PolarHBondContact O-OH 3.2Å; R375-Y440 HydrophobicContact CB-CD2 4.12Å; R375-Y440 HydrophobicContact CB-CE2 3.91Å; R375-Y440 HydrophobicContact CG-CD2 4.24Å; F429-Y440 HydrophobicContact CE1-CD1 4.44Å; F429-Y440 AromaticContact CE1-CD2 3.92Å; F429-Y440 HydrophobicContact CE1-CD2 3.92Å; F429-Y440 HydrophobicContact CE1-CE1 4.42Å; F429-Y440 AromaticContact CE1-CE2 3.89Å; F429-Y440 HydrophobicContact CE1-CE2 3.89Å; F429-Y440 HydrophobicContact CE1-CG 4.2Å; F429-Y440 AromaticContact CZ-CD2 3.74Å; F429-Y440 HydrophobicContact CZ-CD2 3.74Å; F429-Y440 AromaticContact CZ-CE2 3.64Å; F429-Y440 HydrophobicContact CZ-CE2 3.64Å; F429-Y440 HydrophobicContact CZ-CG 4.44Å; I436-Y440 HydrophobicContact CG2-CD1 4.29Å; I436-Y440 HydrophobicContact CG2-CG 3.89Å; I436-Y440 VanDerWaalsContact O-CB 3.25Å; I436-Y440 WeakPolarHBondContact O-CB 3.43Å; I436-Y440 PolarHBondContact O-N 3.46Å; Y440-P442 HydrophobicContact CD1-CG 4.33Å; Y440-P442 HydrophobicContact CD2-CG 4.49Å; Y440-P442 HydrophobicContact CE1-CG 3.69Å; Y440-P442 HydrophobicContact CE2-CG 3.88Å; Y440-P442 VanDerWaalsContact CZ-CG 3.45Å
441M93.8Very high82.3Confident10 Ų1063.5 Ų63.55%0.04934%0.342CS..  trans-145.753.9-176.761.1-175.870.400112.5L95 Y99 H408 M411 Q412 D438 F443 G444L95-M441 HydrophobicContact CD1-SD 4.24Å; Y99-M441 HydrophobicContact CD2-SD 3.93Å; Y99-M441 HydrophobicContact CE2-SD 3.67Å; H408-M441 HydrophobicContact CB-CG 3.51Å; H408-M441 HydrophobicContact CB-SD 3.56Å; H408-M441 VanDerWaalsContact CB-SD 3.56Å; H408-M441 PolarHBondContact CD2-O 3.34Å; M411-M441 HydrophobicContact CE-CE 3.53Å; M411-M441 HydrophobicContact CE-CG 3.63Å; M411-M441 HydrophobicContact CE-SD 3.61Å; Q412-M441 VanDerWaalsContact OE1-C 3.22Å; D438-M441 WeakPolarHBondContact O-CE 3.21Å; M441-F443 PolarHBondContact O-N 3.33Å; M441-G444 WeakPolarHBondContact O-CA 3.33Å; M441-G444 PolarHBondContact O-N 3.44Å
442P95Very high83.2Confident12 Ų1258.2 Ų58.28%0.07832%0.317CS..THydrogen-bonded Turntrans-63.9-17179.329.5-37.8000113.1L374 T378 Y440L374-P442 HydrophobicContact CB-CB 3.97Å; L374-P442 HydrophobicContact CB-CG 4.31Å; T378-P442 HydrophobicContact CG2-CB 3.98Å; T378-P442 WeakPolarHBondContact CG2-O 3.42Å; Y440-P442 HydrophobicContact CD1-CG 4.33Å; Y440-P442 HydrophobicContact CD2-CG 4.49Å; Y440-P442 HydrophobicContact CE1-CG 3.69Å; Y440-P442 HydrophobicContact CE2-CG 3.88Å; Y440-P442 VanDerWaalsContact CZ-CG 3.45Å
443F95.3Very high84.9Confident40 Ų4053 Ų5318%0.17529%0.29CS..THydrogen-bonded Turntrans-105.612.6175.9-63.7-69.6000112.6L374 M441 C450 A456 L457L374-F443 HydrophobicContact CD1-CE2 4.15Å; L374-F443 HydrophobicContact CD1-CZ 4Å; M441-F443 PolarHBondContact O-N 3.33Å; F443-C450 HydrophobicContact CB-CB 3.83Å; F443-C450 HydrophobicContact CD1-CB 3.97Å; F443-C450 HydrophobicContact CG-CB 4.36Å; F443-C450 WeakPolarHBondContact O-CB 3.3Å; F443-C450 PolarHBondContact O-N 3.36Å; F443-A456 HydrophobicContact CE1-CB 4.2Å; F443-L457 HydrophobicContact CE2-CD1 4.1Å; F443-L457 HydrophobicContact CE2-CD2 3.97Å; F443-L457 HydrophobicContact CE2-CG 3.99Å; F443-L457 HydrophobicContact CZ-CD1 4.47Å; F443-L457 HydrophobicContact CZ-CD2 3.93Å; F443-L457 HydrophobicContact CZ-CG 3.89Å
444G93.3Very high87Confident17 Ų1747.7 Ų47.718%0.17527%0.267CS..  trans64.8-174.1-168.800000113.3M441M441-G444 WeakPolarHBondContact O-CA 3.33Å; M441-G444 PolarHBondContact O-N 3.44Å
445A93.2Very high89.3Confident22 Ų2245.4 Ų45.418%0.18225%0.246CC..  trans-135.1170.3-177.700000112.8Y99 V100 K449Y99-A445 HydrophobicContact CD2-CB 3.97Å; V100-A445 HydrophobicContact CG2-CB 4.1Å; A445-K449 PolarHBondContact O-N 2.9Å
446G93.6Very high91.3Very high29 Ų2939.7 Ų39.730%0.29922%0.217SC..G310 helixtrans67.6-157.8174.700000114.9R448 K449G446-R448 PolarHBondContact O-N 3.33Å; G446-K449 VanDerWaalsContact O-CB 3.28Å; G446-K449 WeakPolarHBondContact O-CB 3.44Å; G446-K449 PolarHBondContact O-N 2.95Å
447P93.3Very high92.6Very high50 Ų5040 Ų4033%0.32522%0.219SC..G310 helixtrans-62-13-175.4-27.438.9000114.8Y99 W103 R138Y99-P447 WeakPolarHBondContact O-CD 3.32Å; W103-P447 HydrophobicContact CD2-CB 4.22Å; W103-P447 HydrophobicContact CD2-CG 3.73Å; W103-P447 HydrophobicContact CE3-CB 4.37Å; W103-P447 HydrophobicContact CE3-CG 4.37Å; W103-P447 HydrophobicContact CG-CG 3.9Å; W103-P447 HydrophobicContact CZ2-CB 4.37Å; W103-P447 HydrophobicContact CZ2-CG 4.07Å; R138-P447 WeakPolarHBondContact CD-O 3.43Å; R138-P447 PolarHBondContact NE-O 3.47Å; R138-P447 PolarHBondContact NH1-O 3.49Å
448R93.6Very high94Very high40 Ų4033.5 Ų33.515%0.15118%0.184CC..G310 helixtrans-107.55.3-178.8-69.7-83.1-72.3-98.2-34.2112.8S129 N130 H134 G446S129-R448 PolarHBondContact O-NH1 2.85Å; N130-R448 PolarHBondContact OD1-NH1 3Å; H134-R448 WeakPolarHBondContact CE1-CD 3.25Å; H134-R448 WeakPolarHBondContact NE2-CD 3.26Å; G446-R448 PolarHBondContact O-N 3.33Å
449K94.5Very high94.7Very high82 Ų8231.5 Ų31.536%0.35717%0.173SC..SBendtrans-49.9141.8173.5-177.5169.5-174.2172.50110R138 A445 G446 I451R138-K449 VanDerWaalsContact CZ-O 3.22Å; R138-K449 PolarHBondContact NH1-O 3.07Å; R138-K449 PolarHBondContact NH2-O 3.05Å; A445-K449 PolarHBondContact O-N 2.9Å; G446-K449 VanDerWaalsContact O-CB 3.28Å; G446-K449 WeakPolarHBondContact O-CB 3.44Å; G446-K449 PolarHBondContact O-N 2.95Å; K449-I451 PolarHBondContact O-N 2.83Å; K449-I451 VanDerWaalsContact O-N 3.15Å
450C96.1Very high95.1Very high52 Ų5230.6 Ų30.635%0.35117%0.168SC..  trans-48.7124.6179.5-176.80000110.1F443 G452 Y453F443-C450 HydrophobicContact CB-CB 3.83Å; F443-C450 HydrophobicContact CD1-CB 3.97Å; F443-C450 HydrophobicContact CG-CB 4.36Å; F443-C450 WeakPolarHBondContact O-CB 3.3Å; F443-C450 PolarHBondContact O-N 3.36Å; C450-G452 VanDerWaalsContact C-N 3.33Å; C450-G452 PolarHBondContact SG-N 3.26Å; C450-Y453 VanDerWaalsContact O-CD1 3.32Å; C450-Y453 WeakPolarHBondContact O-CD1 3.44Å
451I94.9Very high95.3Very high23 Ų2329 Ų2912%0.11816%0.161CC..THydrogen-bonded Turntrans-72.5-32.6179.6-166.8174.1000111.2L126 R138 I141 N142 F145 F313 K449 Y453L126-I451 HydrophobicContact CD1-CD1 4.13Å; L126-I451 HydrophobicContact CD1-CG2 4.32Å; R138-I451 HydrophobicContact CG-CD1 4.28Å; I141-I451 HydrophobicContact CB-CD1 4.21Å; I141-I451 HydrophobicContact CG2-CD1 4Å; N142-I451 VanDerWaalsContact OD1-CD1 3.22Å; N142-I451 WeakPolarHBondContact OD1-CD1 3.36Å; N142-I451 WeakPolarHBondContact OD1-CG1 3.27Å; F145-I451 HydrophobicContact CD2-CD1 3.89Å; F145-I451 HydrophobicContact CD2-CG1 3.64Å; F145-I451 HydrophobicContact CD2-CG2 4.36Å; F145-I451 HydrophobicContact CE2-CD1 4.11Å; F145-I451 HydrophobicContact CE2-CG1 4.04Å; F145-I451 HydrophobicContact CE2-CG2 3.93Å; F145-I451 HydrophobicContact CG-CG1 4.34Å; F145-I451 HydrophobicContact CZ-CG2 4.37Å; F313-I451 HydrophobicContact CE1-CG2 3.91Å; F313-I451 HydrophobicContact CZ-CG2 4.39Å; K449-I451 PolarHBondContact O-N 2.83Å; K449-I451 VanDerWaalsContact O-N 3.15Å; I451-Y453 VanDerWaalsContact C-N 3.35Å; I451-Y453 PolarHBondContact O-N 2.94Å
452G94.8Very high95.5Very high13 Ų1328.5 Ų28.513%0.13416%0.159CC..THydrogen-bonded Turntrans-86.69.8-178.100000115.2C450 K454 F455 A456C450-G452 VanDerWaalsContact C-N 3.33Å; C450-G452 PolarHBondContact SG-N 3.26Å; G452-K454 VanDerWaalsContact C-N 3.3Å; G452-K454 PolarHBondContact O-N 2.99Å; G452-F455 WeakPolarHBondContact O-CB 3.46Å; G452-F455 PolarHBondContact O-N 3.27Å; G452-A456 PolarHBondContact O-N 3.01Å
453Y95.5Very high95.7Very high76 Ų7628 Ų2830%0.29816%0.155SC..Hα-helixtrans-58.3-39.4-171.980-83.1000113.4C450 I451 A456 L457C450-Y453 VanDerWaalsContact O-CD1 3.32Å; C450-Y453 WeakPolarHBondContact O-CD1 3.44Å; I451-Y453 VanDerWaalsContact C-N 3.35Å; I451-Y453 PolarHBondContact O-N 2.94Å; Y453-A456 PolarHBondContact O-N 3.03Å; Y453-L457 HydrophobicContact CD2-CD1 4.26Å; Y453-L457 WeakPolarHBondContact O-CB 3.41Å; Y453-L457 WeakPolarHBondContact O-CG 2.96Å; Y453-L457 PolarHBondContact O-N 2.91Å
454K95Very high95.8Very high82 Ų8226 Ų2636%0.35715%0.147SC..Hα-helixtrans-68.1-38.7177.3-63.1-168.7179.7-166.80112.3L150 G452 L458L150-K454 HydrophobicContact CD1-CB 3.46Å; L150-K454 VanDerWaalsContact CD1-CB 3.46Å; L150-K454 HydrophobicContact CD1-CD 4.34Å; G452-K454 VanDerWaalsContact C-N 3.3Å; G452-K454 PolarHBondContact O-N 2.99Å; K454-L458 WeakPolarHBondContact O-CB 3.3Å; K454-L458 PolarHBondContact O-N 3.22Å
455F95Very high96Very high11 Ų1125.3 Ų25.35%0.04814%0.139CC..Hα-helixtrans-62-49.9174.7-178.3-76.1000110F145 L150 F153 F157 I196 I197 A200 G452 L457 L458 E459F145-F455 HydrophobicContact CD1-CB 4.1Å; F145-F455 HydrophobicContact CE1-CB 4.11Å; L150-F455 HydrophobicContact CD2-CB 3.85Å; L150-F455 HydrophobicContact CD2-CD2 3.92Å; L150-F455 HydrophobicContact CD2-CG 4.35Å; F153-F455 HydrophobicContact CB-CE2 4.37Å; F153-F455 AromaticContact CD2-CD2 3.83Å; F153-F455 HydrophobicContact CD2-CD2 3.83Å; F153-F455 AromaticContact CD2-CE2 3.65Å; F153-F455 HydrophobicContact CD2-CE2 3.65Å; F153-F455 HydrophobicContact CE2-CD2 4.29Å; F153-F455 HydrophobicContact CE2-CE2 4.19Å; F153-F455 HydrophobicContact CG-CE2 4.16Å; F157-F455 HydrophobicContact CE1-CE1 4.07Å; F157-F455 AromaticContact CE1-CE2 3.85Å; F157-F455 HydrophobicContact CE1-CE2 3.85Å; F157-F455 AromaticContact CE1-CZ 3.49Å; F157-F455 HydrophobicContact CE1-CZ 3.49Å; F157-F455 VanDerWaalsContact CE1-CZ 3.49Å; F157-F455 HydrophobicContact CZ-CD1 4.23Å; F157-F455 AromaticContact CZ-CD2 3.93Å; F157-F455 HydrophobicContact CZ-CD2 3.93Å; F157-F455 AromaticContact CZ-CE1 3.84Å; F157-F455 HydrophobicContact CZ-CE1 3.84Å; F157-F455 AromaticContact CZ-CE2 3.52Å; F157-F455 HydrophobicContact CZ-CE2 3.52Å; F157-F455 HydrophobicContact CZ-CG 4.28Å; F157-F455 AromaticContact CZ-CZ 3.47Å; F157-F455 HydrophobicContact CZ-CZ 3.47Å; F157-F455 VanDerWaalsContact CZ-CZ 3.47Å; I196-F455 HydrophobicContact CG2-CE1 4.5Å; I196-F455 HydrophobicContact CG2-CZ 4.31Å; I197-F455 HydrophobicContact CD1-CE1 4.12Å; I197-F455 HydrophobicContact CD1-CZ 4.08Å; A200-F455 HydrophobicContact CB-CE2 4Å; A200-F455 HydrophobicContact CB-CZ 3.94Å; G452-F455 WeakPolarHBondContact O-CB 3.46Å; G452-F455 PolarHBondContact O-N 3.27Å; F455-L457 PolarHBondContact O-N 3.32Å; F455-L458 PolarHBondContact O-N 3.39Å; F455-E459 VanDerWaalsContact CE1-OE2 3.3Å; F455-E459 WeakPolarHBondContact CE1-OE2 3.39Å; F455-E459 WeakPolarHBondContact O-CB 3.26Å; F455-E459 PolarHBondContact O-N 2.72Å
456A96.8Very high96.2Very high10 Ų1024.9 Ų24.98%0.08313%0.134CC..Hα-helixtrans-61.9-43.7-17900000112.3F443 G452 Y453 E459 L460F443-A456 HydrophobicContact CE1-CB 4.2Å; G452-A456 PolarHBondContact O-N 3.01Å; Y453-A456 PolarHBondContact O-N 3.03Å; A456-E459 PolarHBondContact O-N 2.86Å; A456-L460 VanDerWaalsContact O-CB 3.3Å; A456-L460 WeakPolarHBondContact O-CB 3.18Å; A456-L460 WeakPolarHBondContact O-CD1 3.35Å; A456-L460 VanDerWaalsContact O-CG 3.25Å; A456-L460 WeakPolarHBondContact O-CG 3.32Å; A456-L460 PolarHBondContact O-N 3.11Å
457L96.7Very high96.4Very high30 Ų3023.5 Ų23.516%0.15712%0.12CC..Hα-helixtrans-65.4-40.5177-72.4173.8000112.1V370 L374 F443 Y453 F455 L460 K461V370-L457 HydrophobicContact CG1-CD2 4.07Å; L374-L457 HydrophobicContact CD1-CD2 4.28Å; F443-L457 HydrophobicContact CE2-CD1 4.1Å; F443-L457 HydrophobicContact CE2-CD2 3.97Å; F443-L457 HydrophobicContact CE2-CG 3.99Å; F443-L457 HydrophobicContact CZ-CD1 4.47Å; F443-L457 HydrophobicContact CZ-CD2 3.93Å; F443-L457 HydrophobicContact CZ-CG 3.89Å; Y453-L457 HydrophobicContact CD2-CD1 4.26Å; Y453-L457 WeakPolarHBondContact O-CB 3.41Å; Y453-L457 WeakPolarHBondContact O-CG 2.96Å; Y453-L457 PolarHBondContact O-N 2.91Å; F455-L457 PolarHBondContact O-N 3.32Å; L457-L460 HydrophobicContact CD2-CD1 4.39Å; L457-K461 WeakPolarHBondContact O-CB 3.46Å; L457-K461 VanDerWaalsContact O-CG 3.32Å; L457-K461 WeakPolarHBondContact O-CG 3.15Å; L457-K461 PolarHBondContact O-N 3.01Å
458L96.9Very high96.7Very high3 Ų321.1 Ų21.12%0.01610%0.104CC..Hα-helixtrans-63.5-45175.3-176.264.5000111.2L150 L154 F157 F357 I360 K454 F455 T462L150-L458 HydrophobicContact CB-CD2 3.99Å; L154-L458 HydrophobicContact CD1-CD1 4.29Å; F157-L458 HydrophobicContact CD2-CD2 4.36Å; F157-L458 HydrophobicContact CD2-CG 4.1Å; F157-L458 HydrophobicContact CE2-CB 4.14Å; F157-L458 HydrophobicContact CE2-CD2 3.82Å; F157-L458 HydrophobicContact CE2-CG 3.81Å; F357-L458 HydrophobicContact CD2-CD1 3.79Å; F357-L458 HydrophobicContact CD2-CD2 3.84Å; F357-L458 HydrophobicContact CD2-CG 4.48Å; F357-L458 HydrophobicContact CE2-CD1 3.95Å; F357-L458 HydrophobicContact CE2-CD2 3.95Å; F357-L458 HydrophobicContact CE2-CG 4.5Å; I360-L458 HydrophobicContact CB-CD1 4.16Å; I360-L458 HydrophobicContact CG2-CD1 3.72Å; K454-L458 WeakPolarHBondContact O-CB 3.3Å; K454-L458 PolarHBondContact O-N 3.22Å; F455-L458 PolarHBondContact O-N 3.39Å; L458-T462 VanDerWaalsContact O-CB 3.3Å; L458-T462 WeakPolarHBondContact O-CB 3.31Å; L458-T462 PolarHBondContact O-N 3.06Å; L458-T462 PolarHBondContact O-OG1 2.87Å
459E97.6Very high96.8Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-61.3-49.9176.2-176.1178.9-17800111.4F157 T193 I196 T321 F455 A456 K461 T462 V463F157-E459 HydrophobicContact CD2-CB 4.21Å; F157-E459 HydrophobicContact CE2-CB 4.02Å; F157-E459 HydrophobicContact CZ-CB 4.27Å; T193-E459 WeakPolarHBondContact CG2-OE1 3.34Å; I196-E459 HydrophobicContact CD1-CG 4.04Å; I196-E459 WeakPolarHBondContact CD1-OE1 3.32Å; I196-E459 HydrophobicContact CG2-CG 4.2Å; I196-E459 WeakPolarHBondContact CG2-OE1 3.38Å; T321-E459 HydrophobicContact CG2-CB 4.25Å; T321-E459 HydrophobicContact CG2-CG 3.91Å; T321-E459 WeakPolarHBondContact CG2-OE2 3.49Å; F455-E459 VanDerWaalsContact CE1-OE2 3.3Å; F455-E459 WeakPolarHBondContact CE1-OE2 3.39Å; F455-E459 WeakPolarHBondContact O-CB 3.26Å; F455-E459 PolarHBondContact O-N 2.72Å; A456-E459 PolarHBondContact O-N 2.86Å; E459-K461 PolarHBondContact O-N 2.92Å; E459-T462 PolarHBondContact O-N 2.89Å; E459-V463 HydrophobicContact CG-CG2 4.34Å; E459-V463 WeakPolarHBondContact O-CB 3.14Å; E459-V463 VanDerWaalsContact O-CG2 3.31Å; E459-V463 WeakPolarHBondContact O-CG2 3.38Å; E459-V463 PolarHBondContact O-N 3.02Å
460L98.3Very high96.8Very high4 Ų420.3 Ų20.32%0.02110%0.101CC..Hα-helixtrans-51.8-56.4176.6-82160.6000111T321 G324 L325 V370 L374 A456 L457 T462 L464T321-L460 HydrophobicContact CG2-CD2 4.44Å; T321-L460 HydrophobicContact CG2-CG 4.11Å; G324-L460 VanDerWaalsContact C-CD2 3.49Å; L325-L460 HydrophobicContact CB-CD2 4.3Å; L325-L460 HydrophobicContact CD2-CD2 3.78Å; L325-L460 HydrophobicContact CG-CD2 3.63Å; L325-L460 VanDerWaalsContact N-CD2 3.34Å; V370-L460 HydrophobicContact CG1-CB 4.36Å; V370-L460 HydrophobicContact CG1-CD1 4.03Å; L374-L460 HydrophobicContact CD1-CD1 4.29Å; A456-L460 VanDerWaalsContact O-CB 3.3Å; A456-L460 WeakPolarHBondContact O-CB 3.18Å; A456-L460 WeakPolarHBondContact O-CD1 3.35Å; A456-L460 VanDerWaalsContact O-CG 3.25Å; A456-L460 WeakPolarHBondContact O-CG 3.32Å; A456-L460 PolarHBondContact O-N 3.11Å; L457-L460 HydrophobicContact CD2-CD1 4.39Å; L460-T462 PolarHBondContact O-N 3.44Å; L460-L464 VanDerWaalsContact O-CB 3.28Å; L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 WeakPolarHBondContact O-CD1 3.47Å; L460-L464 WeakPolarHBondContact O-CG 3.41Å; L460-L464 PolarHBondContact O-N 3.26Å
461K98.3Very high96.9Very high2 Ų217.9 Ų17.91%0.0099%0.085CC..Hα-helixtrans-64.2-42.2-177.1-69.1-172.4-64.2166.50112I360 E361 L366 N367 V370 L457 E459 A465I360-K461 HydrophobicContact CG2-CB 3.63Å; I360-K461 HydrophobicContact CG2-CD 4.43Å; I360-K461 PolarHBondContact O-NZ 3.13Å; E361-K461 IonicContact OE1-NZ 2.81Å; E361-K461 PolarHBondContact OE1-NZ 3.33Å; L366-K461 HydrophobicContact CD2-CB 4.3Å; N367-K461 HydrophobicContact CB-CD 4.02Å; V370-K461 HydrophobicContact CG2-CG 4.5Å; L457-K461 WeakPolarHBondContact O-CB 3.46Å; L457-K461 VanDerWaalsContact O-CG 3.32Å; L457-K461 WeakPolarHBondContact O-CG 3.15Å; L457-K461 PolarHBondContact O-N 3.01Å; E459-K461 PolarHBondContact O-N 2.92Å; K461-A465 WeakPolarHBondContact O-CB 3.34Å; K461-A465 PolarHBondContact O-N 2.92Å
462T97.8Very high97Very high1 Ų117.7 Ų17.71%0.0068%0.084CC..Hα-helixtrans-64-49.1-179.4-540000111.4L154 F157 E158 L458 E459 L460 A465 I466L154-T462 HydrophobicContact CD1-CG2 3.77Å; L154-T462 VanDerWaalsContact CD1-OG1 3.27Å; L154-T462 WeakPolarHBondContact CD1-OG1 3.16Å; F157-T462 HydrophobicContact CB-CG2 3.83Å; E158-T462 HydrophobicContact CG-CG2 3.94Å; L458-T462 VanDerWaalsContact O-CB 3.3Å; L458-T462 WeakPolarHBondContact O-CB 3.31Å; L458-T462 PolarHBondContact O-N 3.06Å; L458-T462 PolarHBondContact O-OG1 2.87Å; E459-T462 PolarHBondContact O-N 2.89Å; L460-T462 PolarHBondContact O-N 3.44Å; T462-A465 PolarHBondContact O-N 3.45Å; T462-I466 HydrophobicContact CG2-CD1 4.09Å; T462-I466 WeakPolarHBondContact O-CG1 3.29Å; T462-I466 PolarHBondContact O-N 2.9Å; T462-I466 VanDerWaalsContact O-N 3.15Å
463V98.3Very high97.2Very high0 Ų017.2 Ų17.20%08%0.078CC..Hα-helixtrans-65-45.9-179.8175.30000110.2A161 I196 L325 E459 A465 I466 L467A161-V463 HydrophobicContact CB-CG2 4.23Å; I196-V463 HydrophobicContact CD1-CG2 3.92Å; L325-V463 HydrophobicContact CD1-CB 4.3Å; L325-V463 HydrophobicContact CD1-CG1 4.04Å; L325-V463 HydrophobicContact CD2-CB 3.93Å; L325-V463 HydrophobicContact CD2-CG1 3.92Å; E459-V463 HydrophobicContact CG-CG2 4.34Å; E459-V463 WeakPolarHBondContact O-CB 3.14Å; E459-V463 VanDerWaalsContact O-CG2 3.31Å; E459-V463 WeakPolarHBondContact O-CG2 3.38Å; E459-V463 PolarHBondContact O-N 3.02Å; V463-A465 PolarHBondContact O-N 3.41Å; V463-I466 PolarHBondContact O-N 2.83Å; V463-L467 HydrophobicContact CG1-CD1 3.85Å; V463-L467 HydrophobicContact CG1-CG 4.27Å; V463-L467 WeakPolarHBondContact O-CB 3.15Å; V463-L467 VanDerWaalsContact O-CG 3.26Å; V463-L467 WeakPolarHBondContact O-CG 3.47Å; V463-L467 PolarHBondContact O-N 3.33Å
464L98.6Very high97.3Very high0 Ų016.2 Ų16.20%08%0.078CC..Hα-helixtrans-61.5-44.3177.7-71.6166.4000112L325 T328 L329 L366 V370 L460 I466 L467 L468L325-L464 HydrophobicContact CD2-CD1 4.29Å; L325-L464 HydrophobicContact CD2-CD2 4.05Å; L325-L464 HydrophobicContact CD2-CG 3.69Å; T328-L464 HydrophobicContact CG2-CD1 3.6Å; T328-L464 HydrophobicContact CG2-CD2 4.15Å; L329-L464 HydrophobicContact CD2-CD2 3.6Å; L329-L464 HydrophobicContact CG-CD2 3.85Å; L366-L464 HydrophobicContact CD1-CB 4.08Å; L366-L464 HydrophobicContact CD1-CD1 4.4Å; L366-L464 HydrophobicContact CD2-CB 4.34Å; V370-L464 HydrophobicContact CG2-CD1 3.42Å; V370-L464 VanDerWaalsContact CG2-CD1 3.42Å; L460-L464 VanDerWaalsContact O-CB 3.28Å; L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 WeakPolarHBondContact O-CD1 3.47Å; L460-L464 WeakPolarHBondContact O-CG 3.41Å; L460-L464 PolarHBondContact O-N 3.26Å; L464-I466 VanDerWaalsContact C-N 3.32Å; L464-I466 PolarHBondContact O-N 3.33Å; L464-L467 PolarHBondContact O-N 2.87Å; L464-L468 HydrophobicContact CB-CD1 4.38Å; L464-L468 VanDerWaalsContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CB 3.32Å; L464-L468 VanDerWaalsContact O-CG 3.26Å; L464-L468 WeakPolarHBondContact O-CG 3.47Å; L464-L468 PolarHBondContact O-N 3.2Å
465A98.1Very high97.4Very high1 Ų114.7 Ų14.71%0.0088%0.076CC..Hα-helixtrans-60.5-43.1-179.300000112.1I346 L350 I360 L363 L366 K461 T462 V463 R469I346-A465 HydrophobicContact CD1-CB 4.18Å; I346-A465 HydrophobicContact CG1-CB 4.09Å; I346-A465 HydrophobicContact CG2-CB 4.37Å; L350-A465 HydrophobicContact CD1-CB 3.67Å; I360-A465 HydrophobicContact CD1-CB 4.48Å; L363-A465 HydrophobicContact CD1-CB 3.93Å; L366-A465 HydrophobicContact CD2-CB 3.98Å; K461-A465 WeakPolarHBondContact O-CB 3.34Å; K461-A465 PolarHBondContact O-N 2.92Å; T462-A465 PolarHBondContact O-N 3.45Å; V463-A465 PolarHBondContact O-N 3.41Å; A465-R469 VanDerWaalsContact O-CB 3.31Å; A465-R469 WeakPolarHBondContact O-CB 3.45Å; A465-R469 PolarHBondContact O-N 3.17Å
466I97.2Very high97.4Very high14 Ų1415.5 Ų15.57%0.0728%0.08CC..Hα-helixtrans-67.2-41.9177.9-71.4168.7000111.5E158 A161 K162 T165 I355 T462 V463 L464 Q470E158-I466 HydrophobicContact CB-CD1 4.13Å; E158-I466 HydrophobicContact CG-CD1 4.05Å; A161-I466 HydrophobicContact CB-CB 3.98Å; A161-I466 HydrophobicContact CB-CD1 3.58Å; A161-I466 HydrophobicContact CB-CG1 4.38Å; A161-I466 HydrophobicContact CB-CG2 3.85Å; K162-I466 HydrophobicContact CG-CG2 4.39Å; T165-I466 HydrophobicContact CG2-CG2 3.63Å; I355-I466 HydrophobicContact CD1-CG1 4.46Å; T462-I466 HydrophobicContact CG2-CD1 4.09Å; T462-I466 WeakPolarHBondContact O-CG1 3.29Å; T462-I466 PolarHBondContact O-N 2.9Å; T462-I466 VanDerWaalsContact O-N 3.15Å; V463-I466 PolarHBondContact O-N 2.83Å; L464-I466 VanDerWaalsContact C-N 3.32Å; L464-I466 PolarHBondContact O-N 3.33Å; I466-Q470 WeakPolarHBondContact O-CG 3.38Å
467L98.1Very high97.2Very high0 Ų019.7 Ų19.70%011%0.107CC..Hα-helixtrans-69.3-47.8179.9-70.4-178.3000112.5L164 T165 W168 L189 L329 V463 L464 R469 Q470 F471 F473L164-L467 HydrophobicContact CD2-CD1 4.1Å; L164-L467 HydrophobicContact CD2-CD2 3.97Å; L164-L467 HydrophobicContact CG-CD2 4.23Å; T165-L467 HydrophobicContact CG2-CD2 3.82Å; W168-L467 HydrophobicContact CE3-CD2 4.1Å; W168-L467 HydrophobicContact CH2-CD1 4.13Å; W168-L467 HydrophobicContact CH2-CD2 4.27Å; W168-L467 HydrophobicContact CZ3-CD1 4.23Å; W168-L467 HydrophobicContact CZ3-CD2 3.72Å; W168-L467 HydrophobicContact CZ3-CG 4.47Å; L189-L467 HydrophobicContact CD2-CD1 4.2Å; L329-L467 HydrophobicContact CD1-CD1 4.25Å; V463-L467 HydrophobicContact CG1-CD1 3.85Å; V463-L467 HydrophobicContact CG1-CG 4.27Å; V463-L467 WeakPolarHBondContact O-CB 3.15Å; V463-L467 VanDerWaalsContact O-CG 3.26Å; V463-L467 WeakPolarHBondContact O-CG 3.47Å; V463-L467 PolarHBondContact O-N 3.33Å; L464-L467 PolarHBondContact O-N 2.87Å; L467-R469 PolarHBondContact O-N 3.37Å; L467-Q470 PolarHBondContact O-N 2.91Å; L467-F471 HydrophobicContact CD2-CD2 4.34Å; L467-F471 HydrophobicContact CD2-CE2 4.35Å; L467-F471 PolarHBondContact O-N 3.3Å; L467-F473 HydrophobicContact CB-CE2 4.36Å; L467-F473 HydrophobicContact CB-CZ 4.06Å
468L98.1Very high97.1Very high0 Ų024 Ų240%013%0.134CC..Hα-helixtrans-66.7-26.5-177.9-70172000112.7L329 L332 Q339 C342 R343 I346 L366 L464 Q470 F473L329-L468 HydrophobicContact CD2-CD2 4.46Å; L332-L468 HydrophobicContact CD1-CD1 3.81Å; L332-L468 HydrophobicContact CD1-CD2 4.1Å; Q339-L468 HydrophobicContact CG-CD2 3.78Å; C342-L468 HydrophobicContact CB-CD1 4.01Å; R343-L468 PolarHBondContact NE-O 2.87Å; I346-L468 HydrophobicContact CD1-CB 3.82Å; I346-L468 HydrophobicContact CD1-CD1 3.98Å; L366-L468 HydrophobicContact CD1-CD1 3.86Å; L464-L468 HydrophobicContact CB-CD1 4.38Å; L464-L468 VanDerWaalsContact O-CB 3.28Å; L464-L468 WeakPolarHBondContact O-CB 3.32Å; L464-L468 VanDerWaalsContact O-CG 3.26Å; L464-L468 WeakPolarHBondContact O-CG 3.47Å; L464-L468 PolarHBondContact O-N 3.2Å; L468-Q470 PolarHBondContact O-N 3.43Å; L468-F473 HydrophobicContact CD2-CD2 3.91Å; L468-F473 HydrophobicContact CD2-CE2 3.91Å
469R96.1Very high96.8Very high41 Ų4125.8 Ų25.816%0.15515%0.145CC..Hα-helixtrans-65.3-27.2172.4-178.7172.2-81.7-170.5-18113.1I346 L347 L350 P351 A465 L467I346-R469 HydrophobicContact CG2-CB 4.17Å; I346-R469 PolarHBondContact O-NH2 3.4Å; L347-R469 HydrophobicContact CD2-CG 3.98Å; L350-R469 PolarHBondContact O-NH2 3.48Å; P351-R469 PolarHBondContact O-NH1 2.97Å; A465-R469 VanDerWaalsContact O-CB 3.31Å; A465-R469 WeakPolarHBondContact O-CB 3.45Å; A465-R469 PolarHBondContact O-N 3.17Å; L467-R469 PolarHBondContact O-N 3.37Å
470Q95.3Very high96.5Very high64 Ų6434.9 Ų34.930%0.29919%0.185SC..Hα-helixtrans-110.7-24.1-170-61.2-61.2-35.300113.9T165 F169 I466 L467 L468 H502T165-Q470 HydrophobicContact CG2-CG 4.32Å; F169-Q470 HydrophobicContact CE2-CB 4.45Å; F169-Q470 HydrophobicContact CZ-CB 3.99Å; F169-Q470 HydrophobicContact CZ-CG 4.37Å; I466-Q470 WeakPolarHBondContact O-CG 3.38Å; L467-Q470 PolarHBondContact O-N 2.91Å; L468-Q470 PolarHBondContact O-N 3.43Å; Q470-H502 PolarHBondContact O-N 3.41Å
471F97.3Very high96.1Very high0 Ų036.2 Ų36.20%019%0.19CC..EExtended strand (participates in β ladder)trans-132.7149.5-169.7-55.6-67000113T165 W168 F169 L172 R343 L467 F473 V499 R500T165-F471 HydrophobicContact CG2-CE2 3.84Å; W168-F471 HydrophobicContact CB-CE1 4.29Å; W168-F471 HydrophobicContact CB-CE2 4.19Å; W168-F471 HydrophobicContact CB-CZ 3.76Å; W168-F471 AromaticContact CE3-CD2 3.69Å; W168-F471 HydrophobicContact CE3-CD2 3.69Å; W168-F471 AromaticContact CE3-CE2 3.65Å; W168-F471 HydrophobicContact CE3-CE2 3.65Å; W168-F471 HydrophobicContact CE3-CG 4.29Å; W168-F471 HydrophobicContact CE3-CZ 4.27Å; W168-F471 HydrophobicContact CZ3-CD2 4.1Å; W168-F471 HydrophobicContact CZ3-CE2 4.43Å; F169-F471 AromaticContact CD1-CE1 3.85Å; F169-F471 HydrophobicContact CD1-CE1 3.85Å; F169-F471 HydrophobicContact CD1-CZ 4.15Å; F169-F471 HydrophobicContact CD2-CZ 4.13Å; F169-F471 AromaticContact CE1-CE1 3.6Å; F169-F471 HydrophobicContact CE1-CE1 3.6Å; F169-F471 AromaticContact CE1-CZ 3.97Å; F169-F471 HydrophobicContact CE1-CZ 3.97Å; F169-F471 HydrophobicContact CE2-CE1 4.43Å; F169-F471 AromaticContact CE2-CZ 3.97Å; F169-F471 HydrophobicContact CE2-CZ 3.97Å; F169-F471 HydrophobicContact CG-CE1 4.36Å; F169-F471 HydrophobicContact CG-CZ 4.21Å; F169-F471 AromaticContact CZ-CE1 3.93Å; F169-F471 HydrophobicContact CZ-CE1 3.93Å; F169-F471 AromaticContact CZ-CZ 3.88Å; F169-F471 HydrophobicContact CZ-CZ 3.88Å; L172-F471 HydrophobicContact CD1-CD1 3.88Å; L172-F471 HydrophobicContact CD1-CE1 3.6Å; R343-F471 PolarHBondContact NH2-O 3.18Å; L467-F471 HydrophobicContact CD2-CD2 4.34Å; L467-F471 HydrophobicContact CD2-CE2 4.35Å; L467-F471 PolarHBondContact O-N 3.3Å; F471-F473 HydrophobicContact CB-CE2 4.14Å; F471-F473 HydrophobicContact CB-CZ 4.24Å; F471-V499 HydrophobicContact CB-CG1 3.84Å; F471-V499 HydrophobicContact CG-CG1 3.96Å; F471-V499 HydrophobicContact CD1-CG1 3.97Å; F471-R500 VanDerWaalsContact CA-O 3.29Å; F471-R500 WeakPolarHBondContact CA-O 3.35Å
472D97.1Very high95.4Very high20 Ų2042.8 Ų42.811%0.10722%0.218CC..EExtended strand (participates in β ladder)trans-96.2135.1160.5-69.5-24.5000109.4R343 L474 V499 R500 H502R343-D472 IonicContact CZ-OD1 3.99Å; R343-D472 IonicContact NH1-OD1 3.81Å; R343-D472 IonicContact NH2-OD1 2.94Å; R343-D472 PolarHBondContact NH2-OD1 3.18Å; D472-L474 HydrophobicContact CB-CD1 4.39Å; D472-V499 WeakPolarHBondContact O-CA 3.33Å; D472-R500 VanDerWaalsContact O-N 3.12Å; D472-R500 PolarHBondContact OD2-NH2 3.02Å; D472-R500 IonicContact OD2-NH2 3.04Å; D472-R500 PolarHBondContact OD2-NE 2.84Å; D472-R500 IonicContact OD2-NE 3.8Å; D472-R500 VanDerWaalsContact OD2-CZ 3.3Å; D472-R500 IonicContact OD2-CZ 2.64Å; D472-R500 PolarHBondContact O-N 3.33Å; D472-R500 PolarHBondContact N-O 2.88Å; D472-R500 HydrophobicContact CB-CG 3.77Å; D472-H502 IonicContact OD2-ND1 3.44Å; D472-H502 PolarHBondContact OD1-ND1 2.97Å; D472-H502 IonicContact OD1-CG 3.6Å; D472-H502 IonicContact OD1-CE1 3.67Å; D472-H502 IonicContact OD1-ND1 3.66Å
473F98.2Very high94.7Very high3 Ų342.9 Ų42.91%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-107131.2174-60.7-89.9000110.1W168 I185 L329 A333 Q339 L467 L468 F471 L497 V499W168-F473 AromaticContact CH2-CE1 3.77Å; W168-F473 HydrophobicContact CH2-CE1 3.77Å; W168-F473 HydrophobicContact CH2-CZ 4.15Å; W168-F473 AromaticContact CZ3-CE1 3.51Å; W168-F473 HydrophobicContact CZ3-CE1 3.51Å; W168-F473 AromaticContact CZ3-CZ 3.62Å; W168-F473 HydrophobicContact CZ3-CZ 3.62Å; I185-F473 HydrophobicContact CD1-CE1 4.25Å; L329-F473 HydrophobicContact CD1-CD1 4.38Å; L329-F473 HydrophobicContact CD1-CE1 3.82Å; L329-F473 HydrophobicContact CD1-CZ 4.01Å; L329-F473 HydrophobicContact CD2-CD1 4.31Å; L329-F473 HydrophobicContact CD2-CD2 3.91Å; L329-F473 HydrophobicContact CD2-CE1 4.07Å; L329-F473 HydrophobicContact CD2-CE2 3.66Å; L329-F473 HydrophobicContact CD2-CG 4.22Å; L329-F473 HydrophobicContact CD2-CZ 3.72Å; A333-F473 WeakPolarHBondContact CA-O 3.42Å; A333-F473 HydrophobicContact CB-CB 4.01Å; Q339-F473 PolarHBondContact NE2-O 3.29Å; L467-F473 HydrophobicContact CB-CE2 4.36Å; L467-F473 HydrophobicContact CB-CZ 4.06Å; L468-F473 HydrophobicContact CD2-CD2 3.91Å; L468-F473 HydrophobicContact CD2-CE2 3.91Å; F471-F473 HydrophobicContact CB-CE2 4.14Å; F471-F473 HydrophobicContact CB-CZ 4.24Å; F473-L497 HydrophobicContact CB-CD1 4.48Å; F473-L497 HydrophobicContact CD1-CD1 4.22Å; F473-V499 HydrophobicContact CD1-CG2 3.98Å; F473-V499 HydrophobicContact CE1-CG2 4.13Å
474L97.8Very high93.8Very high55 Ų5543.1 Ų43.129%0.28822%0.22SC..EExtended strand (participates in β ladder)trans-125.7148.1177-56.198000109.8P180 D472 L497 L498 R500P180-L474 HydrophobicContact CB-CD1 4.21Å; P180-L474 HydrophobicContact CG-CD1 4.15Å; D472-L474 HydrophobicContact CB-CD1 4.39Å; L474-L497 WeakPolarHBondContact O-CB 3.31Å; L474-L498 HydrophobicContact CB-CB 3.88Å; L474-L498 PolarHBondContact N-O 3.43Å; L474-L498 PolarHBondContact O-N 2.85Å; L474-R500 HydrophobicContact CD1-CG 4.3Å
475P96.9Very high92.7Very high49 Ų4944.4 Ų44.432%0.31823%0.226SC..  trans-67.8155.6-177.630-34.1000110.4A333 L334A333-P475 WeakPolarHBondContact O-CD 3.28Å; L334-P475 HydrophobicContact CD2-CB 3.76Å; L334-P475 HydrophobicContact CD2-CG 4.26Å; L334-P475 HydrophobicContact CG-CB 4.48Å
476H96.2Very high91.5Very high29 Ų2945.4 Ų45.413%0.13423%0.231CC..  trans-57.9133.8170.2-172.1-62.2000109.8T478 V479 Y481H476-T478 VanDerWaalsContact C-N 3.3Å; H476-T478 PolarHBondContact CE1-OG1 3.26Å; H476-T478 VanDerWaalsContact CE1-OG1 3.25Å; H476-T478 PolarHBondContact ND1-N 3.49Å; H476-T478 PolarHBondContact O-N 2.91Å; H476-V479 HydrophobicContact CB-CB 3.99Å; H476-V479 VanDerWaalsContact CE1-CG2 3.46Å; H476-V479 WeakPolarHBondContact CE1-CG2 3.33Å; H476-V479 WeakPolarHBondContact ND1-CG2 3.35Å; H476-V479 PolarHBondContact ND1-N 2.92Å; H476-Y481 HydrophobicContact CB-CE2 4.03Å
477P92.4Very high90.4Very high98 Ų9847.5 Ų47.564%0.63624%0.24SC*.SBendtrans-62.1-32.4-170.421.1-34.2000114.5
478T93.7Very high89.7Confident120 Ų12047.5 Ų47.574%0.73624%0.24SC*.SBendtrans-122.8-9.1-174.457.40000115.6H476H476-T478 VanDerWaalsContact C-N 3.3Å; H476-T478 PolarHBondContact CE1-OG1 3.26Å; H476-T478 VanDerWaalsContact CE1-OG1 3.25Å; H476-T478 PolarHBondContact ND1-N 3.49Å; H476-T478 PolarHBondContact O-N 2.91Å
479V92.4Very high89.1Confident41 Ų4147.6 Ų47.625%0.24824%0.24CC..  trans-99.7123.9-171.4171.60000109.9H476 Y481 P493H476-V479 HydrophobicContact CB-CB 3.99Å; H476-V479 VanDerWaalsContact CE1-CG2 3.46Å; H476-V479 WeakPolarHBondContact CE1-CG2 3.33Å; H476-V479 WeakPolarHBondContact ND1-CG2 3.35Å; H476-V479 PolarHBondContact ND1-N 2.92Å; V479-Y481 HydrophobicContact CG1-CD1 4.11Å; V479-Y481 HydrophobicContact CB-CE2 4.44Å; V479-Y481 HydrophobicContact CG1-CG 4.34Å; V479-Y481 HydrophobicContact CG1-CE2 3.97Å; V479-Y481 HydrophobicContact CG1-CD2 4.29Å; V479-Y481 HydrophobicContact CG1-CE1 3.75Å; V479-P493 HydrophobicContact CG1-CG 3.53Å
480K89.5Confident88.7Confident190 Ų19046 Ų4683%0.82624%0.235SC*.  trans-95.6110167-69.2-172.1178-1750109.4K482K480-K482 PolarHBondContact O-N 3.37Å
481Y89.9Confident88.4Confident33 Ų3343.1 Ų43.113%0.12922%0.222CC..PPolyproline II helixtrans-70.4127.4178.8-68.9-74.9000111.4L330 H476 V479 P491 P493 L495 E496L330-Y481 HydrophobicContact CD1-CD2 3.74Å; L330-Y481 HydrophobicContact CD1-CE2 4.34Å; L330-Y481 HydrophobicContact CD2-CD2 4.17Å; L330-Y481 HydrophobicContact CD2-CG 4.19Å; H476-Y481 HydrophobicContact CB-CE2 4.03Å; V479-Y481 HydrophobicContact CG1-CD1 4.11Å; V479-Y481 HydrophobicContact CB-CE2 4.44Å; V479-Y481 HydrophobicContact CG1-CG 4.34Å; V479-Y481 HydrophobicContact CG1-CE2 3.97Å; V479-Y481 HydrophobicContact CG1-CD2 4.29Å; V479-Y481 HydrophobicContact CG1-CE1 3.75Å; Y481-P491 HydrophobicContact CD1-CB 4.16Å; Y481-P493 HydrophobicContact CE1-CG 4.1Å; Y481-P493 WeakPolarHBondContact CE1-O 3.28Å; Y481-P493 WeakPolarHBondContact CD1-O 3.4Å; Y481-P493 VanDerWaalsContact CD1-O 3.27Å; Y481-P493 HydrophobicContact CD1-CG 4.49Å; Y481-L495 HydrophobicContact CD1-CD1 4.15Å; Y481-L495 HydrophobicContact CD2-CD1 3.85Å; Y481-L495 HydrophobicContact CE1-CB 4.5Å; Y481-L495 HydrophobicContact CE1-CD1 3.96Å; Y481-L495 HydrophobicContact CE2-CD1 3.62Å; Y481-L495 HydrophobicContact CG-CD1 4.12Å; Y481-E496 PolarHBondContact OH-O 2.99Å; Y481-E496 PolarHBondContact OH-N 3.46Å
482K84.6Confident87.9Confident140 Ų14048.2 Ų48.261%0.60924%0.242SC*.EExtended strand (participates in β ladder)trans-101.5165.6168.4-64.7-173.3179.5-1750109.8K480 P491 Y492K480-K482 PolarHBondContact O-N 3.37Å; K482-P491 CarbonylContact O-C 3.52Å; K482-P491 WeakPolarHBondContact O-CA 3.32Å; K482-Y492 PolarHBondContact N-O 3.4Å; K482-Y492 PolarHBondContact O-N 2.9Å
483S83.3Confident87.4Confident2 Ų249.7 Ų49.71%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-90.6135.7172160.80000110.3Q489S483-Q489 WeakPolarHBondContact OG-CG 3.34Å; S483-Q489 PolarHBondContact OG-NE2 3.49Å
484R78.5Confident86.9Confident6 Ų652.2 Ų52.22%0.02327%0.266CS..EExtended strand (participates in β ladder)trans-122.9127173.7174.7147.4-162.7-170.6-4.5110T59 S225 E226 K227 Q489 S490T59-R484 HydrophobicContact CG2-CB 4.22Å; T59-R484 VanDerWaalsContact CG2-CD 3.49Å; T59-R484 HydrophobicContact CG2-CG 3.44Å; T59-R484 VanDerWaalsContact CG2-CG 3.44Å; S225-R484 VanDerWaalsContact C-CZ 3.49Å; S225-R484 VanDerWaalsContact CB-NH2 3.32Å; S225-R484 WeakPolarHBondContact O-CD 3.42Å; S225-R484 PolarHBondContact O-NE 2.68Å; S225-R484 PolarHBondContact O-NH1 2.92Å; S225-R484 PolarHBondContact O-NH2 2.9Å; S225-R484 PolarHBondContact OG-NH2 2.93Å; E226-R484 VanDerWaalsContact C-NH1 3.28Å; E226-R484 PolarHBondContact O-NH1 3.47Å; K227-R484 PolarHBondContact O-NH2 3.34Å; R484-Q489 WeakPolarHBondContact O-CA 3.44Å; R484-S490 PolarHBondContact N-O 3.49Å; R484-S490 PolarHBondContact O-N 2.92Å
485M76.5Confident86.8Confident26 Ų2649.6 Ų49.613%0.12825%0.253CS..EExtended strand (participates in β ladder)trans-112.2130.9179.5-169.8-172.9167.300111.8L62 P381 A382 T488L62-M485 HydrophobicContact CD2-SD 3.92Å; L62-M485 HydrophobicContact CG-SD 4.36Å; P381-M485 HydrophobicContact CG-CE 3.93Å; P381-M485 HydrophobicContact CG-CG 4.21Å; P381-M485 HydrophobicContact CG-SD 3.67Å; A382-M485 HydrophobicContact CB-CE 3.47Å; A382-M485 VanDerWaalsContact CB-CE 3.47Å; A382-M485 HydrophobicContact CB-SD 4.49Å; M485-T488 WeakPolarHBondContact CA-O 3.31Å
486L72Confident86.8Confident23 Ų2350.5 Ų50.512%0.1225%0.253CS..SBendtrans-128.5-82.6162.4-177.576.8000109.4L114 T488L114-L486 HydrophobicContact CD1-CD1 4.26Å; L114-L486 HydrophobicContact CD2-CD1 3.44Å; L114-L486 VanDerWaalsContact CD2-CD1 3.44Å; L114-L486 HydrophobicContact CD2-CG 4.18Å; L486-T488 PolarHBondContact N-O 3Å
487F74.2Confident86.9Confident57 Ų5749.1 Ų49.125%0.2525%0.246CC..SBendtrans-94.9-45.4166.7178.4-111000110.1V118 I121 F128V118-F487 HydrophobicContact CG1-CD2 4.44Å; V118-F487 HydrophobicContact CG1-CE2 4.29Å; V118-F487 HydrophobicContact CG2-CD2 4.03Å; I121-F487 HydrophobicContact CD1-CE1 4Å; I121-F487 HydrophobicContact CD1-CE2 4.09Å; I121-F487 HydrophobicContact CD1-CZ 3.65Å; F128-F487 HydrophobicContact CZ-CE2 4.25Å
488T83.9Confident87.1Confident1 Ų146.3 Ų46.31%0.00623%0.226CC..SBendtrans-111.9164.4173.4490000111.5E319 T320 L323 P379 M485 L486E319-T488 HydrophobicContact CG-CG2 4.13Å; T320-T488 HydrophobicContact CG2-CG2 4.14Å; L323-T488 VanDerWaalsContact CD1-CB 3.42Å; L323-T488 HydrophobicContact CD1-CG2 4.12Å; L323-T488 WeakPolarHBondContact CD1-OG1 3.29Å; P379-T488 CarbonylContact O-C 3.55Å; P379-T488 WeakPolarHBondContact O-CA 3.33Å; P379-T488 VanDerWaalsContact O-CB 3.28Å; P379-T488 WeakPolarHBondContact O-CB 3.28Å; M485-T488 WeakPolarHBondContact CA-O 3.31Å; L486-T488 PolarHBondContact N-O 3Å
489Q86.3Confident87.3Confident2 Ų240.6 Ų40.61%0.00919%0.191CC..EExtended strand (participates in β ladder)trans-93.9105.3173.5-171.3-177.3-1.300110.2L62 W327 T378 P379 P381 S483 R484L62-Q489 HydrophobicContact CD1-CG 3.89Å; W327-Q489 HydrophobicContact CZ2-CG 4.36Å; W327-Q489 PolarHBondContact NE1-O 3.18Å; T378-Q489 WeakPolarHBondContact O-CB 3.32Å; T378-Q489 PolarHBondContact O-OE1 3.48Å; P379-Q489 PolarHBondContact O-N 3.5Å; P381-Q489 HydrophobicContact CG-CB 3.99Å; S483-Q489 WeakPolarHBondContact OG-CG 3.34Å; S483-Q489 PolarHBondContact OG-NE2 3.49Å; R484-Q489 WeakPolarHBondContact O-CA 3.44Å
490S86.9Confident87.4Confident6 Ų643.5 Ų43.54%0.04220%0.197CC..EExtended strand (participates in β ladder)trans-114.2151.6-178.457.70000113.5S224 L323 W327 R484S224-S490 PolarHBondContact OG-OG 3.44Å; L323-S490 VanDerWaalsContact CD2-CB 3.49Å; W327-S490 VanDerWaalsContact CZ2-C 3.45Å; R484-S490 PolarHBondContact N-O 3.49Å; R484-S490 PolarHBondContact O-N 2.92Å
491P89.6Confident87.6Confident4 Ų441.7 Ų41.73%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-61.4138.7169.8-20.331000111.3W327 Y481 K482 P493 L495W327-P491 HydrophobicContact CD2-CG 3.96Å; W327-P491 HydrophobicContact CE3-CG 4.03Å; W327-P491 HydrophobicContact CH2-CB 3.93Å; W327-P491 HydrophobicContact CH2-CG 3.8Å; W327-P491 HydrophobicContact CZ2-CB 4.24Å; W327-P491 HydrophobicContact CZ2-CG 3.74Å; W327-P491 VanDerWaalsContact CZ2-N 3.33Å; W327-P491 HydrophobicContact CZ3-CB 4.19Å; W327-P491 HydrophobicContact CZ3-CG 3.94Å; Y481-P491 HydrophobicContact CD1-CB 4.16Å; K482-P491 CarbonylContact O-C 3.52Å; K482-P491 WeakPolarHBondContact O-CA 3.32Å; P491-P493 CarbonylContact C-O 3.36Å; P491-P493 VanDerWaalsContact C-O 3.3Å; P491-L495 HydrophobicContact CB-CB 4.03Å; P491-L495 HydrophobicContact CG-CB 4.16Å; P491-L495 HydrophobicContact CG-CD2 4.45Å
492Y85.2Confident87.7Confident108 Ų10842.9 Ų42.942%0.42419%0.192SC..EExtended strand (participates in β ladder)trans-132.4130.5174.7-175.7-96.3000111.1K482K482-Y492 PolarHBondContact N-O 3.4Å; K482-Y492 PolarHBondContact O-N 2.9Å
493P87.1Confident87.5Confident51 Ų5146.8 Ų46.833%0.33121%0.212SC..SBendcis-61.1177.6-5.330.9-37000112V479 Y481 P491 L495V479-P493 HydrophobicContact CG1-CG 3.53Å; Y481-P493 HydrophobicContact CE1-CG 4.1Å; Y481-P493 WeakPolarHBondContact CE1-O 3.28Å; Y481-P493 WeakPolarHBondContact CD1-O 3.4Å; Y481-P493 VanDerWaalsContact CD1-O 3.27Å; Y481-P493 HydrophobicContact CD1-CG 4.49Å; P491-P493 CarbonylContact C-O 3.36Å; P491-P493 VanDerWaalsContact C-O 3.3Å; P493-L495 PolarHBondContact O-N 3.21Å
494N88.9Confident87.7Confident55 Ų5549.1 Ų49.129%0.29422%0.222SC..  trans-51.8133.3-179-174.572.7000110.8K186 N187 E496K186-N494 WeakPolarHBondContact CD-OD1 3.38Å; N187-N494 PolarHBondContact OD1-ND2 2.95Å; N494-E496 PolarHBondContact O-N 3.01Å
495L94.6Very high88.2Confident0 Ų051.3 Ų51.30%023%0.233CC..  trans-67123.3-168.9-178.564.9000111.5P184 I185 K186 S326 L330 Y481 P491 P493 L497P184-L495 CarbonylContact C-O 3.51Å; I185-L495 HydrophobicContact CB-CD2 4.22Å; I185-L495 HydrophobicContact CB-CG 4.2Å; I185-L495 HydrophobicContact CG2-CD2 3.94Å; I185-L495 HydrophobicContact CG2-CG 4.46Å; I185-L495 PolarHBondContact N-O 3.4Å; I185-L495 VanDerWaalsContact N-O 3.12Å; K186-L495 HydrophobicContact CB-CB 3.88Å; K186-L495 PolarHBondContact N-O 3.5Å; S326-L495 WeakPolarHBondContact O-CD2 3.49Å; L330-L495 HydrophobicContact CB-CD1 4.18Å; L330-L495 HydrophobicContact CB-CD2 4.32Å; L330-L495 HydrophobicContact CD1-CD1 4.06Å; L330-L495 HydrophobicContact CD2-CD1 4.28Å; L330-L495 HydrophobicContact CG-CD1 4.4Å; Y481-L495 HydrophobicContact CD1-CD1 4.15Å; Y481-L495 HydrophobicContact CD2-CD1 3.85Å; Y481-L495 HydrophobicContact CE1-CB 4.5Å; Y481-L495 HydrophobicContact CE1-CD1 3.96Å; Y481-L495 HydrophobicContact CE2-CD1 3.62Å; Y481-L495 HydrophobicContact CG-CD1 4.12Å; P491-L495 HydrophobicContact CB-CB 4.03Å; P491-L495 HydrophobicContact CG-CB 4.16Å; P491-L495 HydrophobicContact CG-CD2 4.45Å; P493-L495 PolarHBondContact O-N 3.21Å; L495-L497 HydrophobicContact CD1-CD2 4.02Å; L495-L497 HydrophobicContact CD1-CG 4.2Å; L495-L497 HydrophobicContact CG-CG 4.38Å
496E97.1Very high88.8Confident69 Ų6952.7 Ų52.732%0.32224%0.239SC..  trans-126.2138.6171.2-65176120.500108.2L182 M183 Y481 N494L182-E496 HydrophobicContact CD1-CB 3.99Å; L182-E496 HydrophobicContact CD2-CB 4.43Å; L182-E496 HydrophobicContact CG-CB 4.08Å; M183-E496 WeakPolarHBondContact O-CA 3.43Å; Y481-E496 PolarHBondContact OH-O 2.99Å; Y481-E496 PolarHBondContact OH-N 3.46Å; N494-E496 PolarHBondContact O-N 3.01Å
497L97.9Very high89.8Confident0 Ų054.5 Ų54.50%025%0.246CC..EExtended strand (participates in β ladder)trans-131.5151.1174.8-61.7175.6000108.7M183 I185 L329 L330 A333 F473 L474 L495M183-L497 PolarHBondContact N-O 3.44Å; M183-L497 PolarHBondContact O-N 3.38Å; M183-L497 VanDerWaalsContact O-N 3.12Å; I185-L497 HydrophobicContact CD1-CB 4.3Å; I185-L497 HydrophobicContact CG1-CB 3.64Å; I185-L497 HydrophobicContact CG1-CD1 3.97Å; I185-L497 HydrophobicContact CG1-CG 3.78Å; I185-L497 HydrophobicContact CG2-CD1 4.45Å; L329-L497 HydrophobicContact CB-CD1 4.01Å; L330-L497 HydrophobicContact CD1-CD2 4.02Å; A333-L497 HydrophobicContact CB-CD1 4.18Å; A333-L497 HydrophobicContact CB-CD2 4.08Å; F473-L497 HydrophobicContact CB-CD1 4.48Å; F473-L497 HydrophobicContact CD1-CD1 4.22Å; L474-L497 WeakPolarHBondContact O-CB 3.31Å; L495-L497 HydrophobicContact CD1-CD2 4.02Å; L495-L497 HydrophobicContact CD1-CG 4.2Å; L495-L497 HydrophobicContact CG-CG 4.38Å
498L97.3Very high90.8Very high39 Ų3954.3 Ų54.320%0.20425%0.245CC..EExtended strand (participates in β ladder)trans-73.9128.2166.1-75.5175.2000107.8P180 V181 L182 L474P180-L498 HydrophobicContact CB-CB 3.82Å; P180-L498 HydrophobicContact CB-CD1 4.5Å; P180-L498 HydrophobicContact CB-CD2 4.18Å; P180-L498 HydrophobicContact CB-CG 4.38Å; V181-L498 WeakPolarHBondContact O-CA 3.26Å; L182-L498 HydrophobicContact CB-CD2 4.05Å; L182-L498 HydrophobicContact CD1-CD2 4.1Å; L182-L498 HydrophobicContact CD1-CG 4.21Å; L474-L498 HydrophobicContact CB-CB 3.88Å; L474-L498 PolarHBondContact N-O 3.43Å; L474-L498 PolarHBondContact O-N 2.85Å
499V97.1Very high91.2Very high0 Ų057.9 Ų57.90%026%0.261CS..EExtended strand (participates in β ladder)trans-124.7133.7-179.8-174.10000108.4W168 L172 P180 V181 M183 I185 F471 D472 F473W168-V499 HydrophobicContact CE3-CG1 4.28Å; L172-V499 VanDerWaalsContact CD2-O 3.31Å; L172-V499 WeakPolarHBondContact CD2-O 3.29Å; P180-V499 CarbonylContact C-O 3.56Å; P180-V499 WeakPolarHBondContact CA-O 3.34Å; V181-V499 PolarHBondContact N-O 3.3Å; V181-V499 PolarHBondContact O-N 2.91Å; M183-V499 HydrophobicContact CB-CG2 3.91Å; M183-V499 HydrophobicContact CG-CB 3.96Å; M183-V499 HydrophobicContact CG-CG2 3.76Å; I185-V499 HydrophobicContact CD1-CG2 3.79Å; F471-V499 HydrophobicContact CB-CG1 3.84Å; F471-V499 HydrophobicContact CG-CG1 3.96Å; F471-V499 HydrophobicContact CD1-CG1 3.97Å; D472-V499 WeakPolarHBondContact O-CA 3.33Å; F473-V499 HydrophobicContact CD1-CG2 3.98Å; F473-V499 HydrophobicContact CE1-CG2 4.13Å
500R94.8Very high91.6Very high102 Ų10261.9 Ų61.939%0.38528%0.279SS..EExtended strand (participates in β ladder)trans-130.9161.816764.5173.6-175.3-167.93.6109.9P180 F471 D472 L474P180-R500 HydrophobicContact CB-CB 4.32Å; P180-R500 HydrophobicContact CG-CB 4.32Å; F471-R500 VanDerWaalsContact CA-O 3.29Å; F471-R500 WeakPolarHBondContact CA-O 3.35Å; D472-R500 VanDerWaalsContact O-N 3.12Å; D472-R500 PolarHBondContact OD2-NH2 3.02Å; D472-R500 IonicContact OD2-NH2 3.04Å; D472-R500 PolarHBondContact OD2-NE 2.84Å; D472-R500 IonicContact OD2-NE 3.8Å; D472-R500 VanDerWaalsContact OD2-CZ 3.3Å; D472-R500 IonicContact OD2-CZ 2.64Å; D472-R500 PolarHBondContact O-N 3.33Å; D472-R500 PolarHBondContact N-O 2.88Å; D472-R500 HydrophobicContact CB-CG 3.77Å; L474-R500 HydrophobicContact CD1-CG 4.3Å
501R93.6Very high91.9Very high151 Ų15166.2 Ų66.257%0.5730%0.297SS*.EExtended strand (participates in β ladder)trans-63.3136.7169.6-179.8169.6-177.7170.61.1109.4F169 L172F169-R501 HydrophobicContact CE1-CB 4.48Å; F169-R501 HydrophobicContact CE1-CG 4Å; L172-R501 HydrophobicContact CD1-CB 4.48Å
502H91.3Very high92.1Very high59 Ų5971.3 Ų71.327%0.27332%0.32SS..  trans-76.6131.7167.5-16772.7000108.6R343 Q470 D472R343-H502 VanDerWaalsContact CD-CE1 3.49Å; R343-H502 WeakPolarHBondContact CD-CE1 3.47Å; R343-H502 VanDerWaalsContact CD-NE2 3.28Å; R343-H502 WeakPolarHBondContact CD-NE2 3.42Å; Q470-H502 PolarHBondContact O-N 3.41Å; D472-H502 IonicContact OD2-ND1 3.44Å; D472-H502 PolarHBondContact OD1-ND1 2.97Å; D472-H502 IonicContact OD1-CG 3.6Å; D472-H502 IonicContact OD1-CE1 3.67Å; D472-H502 IonicContact OD1-ND1 3.66Å
503E80.8Confident92.8Very high222 Ų22268 Ų68100%1.03731%0.311SS*.  trans-83.90-177.1-70.1-171.616600113

Retrieved 503 of 503 residues in 1911.3 ms (Link to these results)

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