A0A5K4F6K3_SCHMA Loading...

Transmembrane protein 164

AlphaFold DB , UniProt , Accession A0A5K4F6K3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 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
1M64.5Low76.9Confident147 Ų14778.7 Ų78.772%0.72447%0.466SS*.  0-55.10-70.9-56.1118.100112.5Q3 I4 L5 W194M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 2.56Å; M1-I4 HydrophobicContact CE-CD1 3.81Å; M1-I4 WeakPolarHBondContact O-CB 3.43Å; M1-I4 PolarHBondContact O-N 3.29Å; M1-I4 HydrophobicContact SD-CD1 4.34Å; M1-L5 PolarHBondContact O-N 3.29Å; M1-W194 HydrophobicContact CE-CH2 4.27Å; M1-W194 HydrophobicContact CE-CZ3 3.98Å; M1-W194 HydrophobicContact SD-CH2 4.1Å; M1-W194 HydrophobicContact SD-CZ3 4.21Å
2L77.2Confident77.7Confident67 Ų6775.3 Ų75.335%0.35145%0.449SS..Hα-helixtrans-53.6-40.7-178.4-162.269.7000114.3I4 L5 L6 I18 H22L2-I4 VanDerWaalsContact C-N 3.31Å; L2-I4 PolarHBondContact O-N 3.37Å; L2-L5 WeakPolarHBondContact O-CB 3.11Å; L2-L5 PolarHBondContact O-N 2.97Å; L2-L5 VanDerWaalsContact O-N 3.15Å; L2-L6 WeakPolarHBondContact O-CG 3.19Å; L2-L6 PolarHBondContact O-N 3.01Å; L2-I18 HydrophobicContact CD1-CG2 3.58Å; L2-I18 HydrophobicContact CD2-CG2 3.82Å; L2-I18 HydrophobicContact CG-CG2 3.83Å; L2-H22 HydrophobicContact CD2-CB 3.69Å
3Q80.8Confident78.4Confident26 Ų2684.8 Ų84.812%0.12147%0.472CS..Hα-helixtrans-60.4-39.8177.8-63.1-175.5-2.900112.8M1 L5 L6 L7 H22 I57 I60 P61M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 2.56Å; Q3-L5 VanDerWaalsContact C-N 3.33Å; Q3-L6 PolarHBondContact O-N 3.43Å; Q3-L7 WeakPolarHBondContact O-CD1 3.19Å; Q3-L7 PolarHBondContact O-N 2.86Å; Q3-H22 PolarHBondContact NE2-NE2 3.26Å; Q3-I57 PolarHBondContact NE2-O 3.47Å; Q3-I60 HydrophobicContact CB-CG2 4.34Å; Q3-P61 HydrophobicContact CG-CG 4.39Å
4I78.3Confident79.2Confident95 Ų9584.6 Ų84.649%0.48747%0.469SS..Hα-helixtrans-67-38.7177.7-58.3170000110.1M1 L2 L7 A8M1-I4 HydrophobicContact CE-CD1 3.81Å; M1-I4 WeakPolarHBondContact O-CB 3.43Å; M1-I4 PolarHBondContact O-N 3.29Å; M1-I4 HydrophobicContact SD-CD1 4.34Å; L2-I4 VanDerWaalsContact C-N 3.31Å; L2-I4 PolarHBondContact O-N 3.37Å; I4-L7 WeakPolarHBondContact O-CB 3.29Å; I4-L7 PolarHBondContact O-N 3.19Å; I4-A8 PolarHBondContact O-N 2.99Å; I4-A8 VanDerWaalsContact O-N 3.1Å
5L79.9Confident79.9Confident115 Ų11579.1 Ų79.160%0.60244%0.439SS*.Hα-helixtrans-64.3-41.3175.2-64.8175.5000111.4M1 L2 Q3 L7 A8 S9M1-L5 PolarHBondContact O-N 3.29Å; L2-L5 WeakPolarHBondContact O-CB 3.11Å; L2-L5 PolarHBondContact O-N 2.97Å; L2-L5 VanDerWaalsContact O-N 3.15Å; Q3-L5 VanDerWaalsContact C-N 3.33Å; L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 3.07Å; L5-A8 CarbonylContact O-C 3.57Å; L5-A8 PolarHBondContact O-N 2.97Å; L5-S9 VanDerWaalsContact O-CB 3.28Å; L5-S9 WeakPolarHBondContact O-CB 3.5Å; L5-S9 PolarHBondContact O-N 2.76Å
6L79.2Confident80.5Confident8 Ų875.8 Ų75.84%0.04242%0.421CS..Hα-helixtrans-63.7-35.9175.3-70.5172.2000112.2L2 Q3 A8 S9 T15 I18 F19 F71L2-L6 WeakPolarHBondContact O-CG 3.19Å; L2-L6 PolarHBondContact O-N 3.01Å; Q3-L6 PolarHBondContact O-N 3.43Å; L6-A8 VanDerWaalsContact C-N 3.34Å; L6-S9 PolarHBondContact O-N 3.24Å; L6-T15 HydrophobicContact CD2-CG2 3.93Å; L6-I18 HydrophobicContact CD2-CB 4.22Å; L6-I18 HydrophobicContact CD2-CG2 3.89Å; L6-I18 HydrophobicContact CG-CG2 4.37Å; L6-F19 HydrophobicContact CD1-CB 4.45Å; L6-F19 HydrophobicContact CD1-CD2 4.21Å; L6-F19 HydrophobicContact CD2-CB 4.34Å; L6-F71 HydrophobicContact CB-CE1 4.23Å; L6-F71 HydrophobicContact CD2-CE1 4.32Å
7L77.4Confident81.2Confident95 Ų9575.2 Ų75.250%0.49741%0.414SS..Hα-helixtrans-63.1-37173.6-94.3139.7000113.4Q3 I4 L5 F64Q3-L7 WeakPolarHBondContact O-CD1 3.19Å; Q3-L7 PolarHBondContact O-N 2.86Å; I4-L7 WeakPolarHBondContact O-CB 3.29Å; I4-L7 PolarHBondContact O-N 3.19Å; L5-L7 VanDerWaalsContact C-N 3.3Å; L5-L7 PolarHBondContact O-N 3.07Å; L7-F64 HydrophobicContact CD1-CE2 4.06Å; L7-F64 HydrophobicContact CD1-CZ 3.78Å; L7-F64 HydrophobicContact CD2-CE1 4.01Å; L7-F64 HydrophobicContact CD2-CE2 4.48Å; L7-F64 HydrophobicContact CD2-CZ 3.49Å; L7-F64 VanDerWaalsContact CD2-CZ 3.49Å; L7-F64 HydrophobicContact CG-CE1 4.17Å; L7-F64 HydrophobicContact CG-CE2 3.85Å; L7-F64 HydrophobicContact CG-CZ 3.32Å
8A80.6Confident81.9Confident89 Ų8973.8 Ų73.874%0.73641%0.405SS*.Hα-helixtrans-93.3-9.9-17800000113.4I4 L5 L6I4-A8 PolarHBondContact O-N 2.99Å; I4-A8 VanDerWaalsContact O-N 3.1Å; L5-A8 CarbonylContact O-C 3.57Å; L5-A8 PolarHBondContact O-N 2.97Å; L6-A8 VanDerWaalsContact C-N 3.34Å
9S78.6Confident82.4Confident52 Ų5269.9 Ų69.936%0.36438%0.384SS..  trans-71143.7-174.9-164.20000111.4L5 L6 T15L5-S9 VanDerWaalsContact O-CB 3.28Å; L5-S9 WeakPolarHBondContact O-CB 3.5Å; L5-S9 PolarHBondContact O-N 2.76Å; L6-S9 PolarHBondContact O-N 3.24Å; S9-T15 PolarHBondContact OG-OG1 2.95Å
10S74.2Confident83Confident88 Ų8868.4 Ų68.462%0.61537%0.372SS*.  trans-76.1155.9166.855.50000110.5S12 T15S10-S12 PolarHBondContact O-N 3.05Å; S10-T15 PolarHBondContact O-OG1 3.45Å
11S75.1Confident83.5Confident84 Ų8466 Ų6659%0.58736%0.358SS*.SBendtrans-57.1109.8175165.40000110.9E70S11-E70 VanDerWaalsContact CA-CD 3.4Å; S11-E70 WeakPolarHBondContact CA-OE2 3.44Å; S11-E70 WeakPolarHBondContact CB-OE1 3.16Å; S11-E70 VanDerWaalsContact CB-OE2 3.26Å; S11-E70 WeakPolarHBondContact CB-OE2 3.32Å; S11-E70 VanDerWaalsContact OG-CG 3.29Å; S11-E70 WeakPolarHBondContact OG-CG 3.48Å; S11-E70 PolarHBondContact OG-OE1 3.45Å
12S86.5Confident84.8Confident37 Ų3760.1 Ų60.126%0.25933%0.329SS..  trans-149.2157.817976.60000110.7S10 L14 T15 T16S10-S12 PolarHBondContact O-N 3.05Å; S12-L14 PolarHBondContact O-N 3.27Å; S12-L14 PolarHBondContact OG-N 3.42Å; S12-T15 VanDerWaalsContact O-CB 3.29Å; S12-T15 WeakPolarHBondContact O-CB 3.29Å; S12-T15 PolarHBondContact O-N 3.13Å; S12-T15 PolarHBondContact OG-N 3.49Å; S12-T15 PolarHBondContact OG-OG1 2.81Å; S12-T16 PolarHBondContact O-N 3.43Å
13W87.6Confident85.5Confident199 Ų19957.1 Ų57.175%0.75431%0.314SS*.Hα-helixtrans-58.8-31.4173.675.1-90000111.9T15 T16 F17W13-T15 VanDerWaalsContact C-N 3.32Å; W13-T16 PolarHBondContact O-N 3.39Å; W13-F17 HydrophobicContact CE3-CB 4.36Å; W13-F17 HydrophobicContact CZ3-CB 4.34Å; W13-F17 HydrophobicContact CZ3-CD2 4.43Å; W13-F17 HydrophobicContact CZ3-CG 4.41Å; W13-F17 WeakPolarHBondContact O-CB 3.26Å; W13-F17 PolarHBondContact O-N 3.45Å
14L89.6Confident86.2Confident82 Ų8256.1 Ų56.143%0.42931%0.309SS..Hα-helixtrans-66.2-36.7177.5-175.266000111.1S12 F17 I18S12-L14 PolarHBondContact O-N 3.27Å; S12-L14 PolarHBondContact OG-N 3.42Å; L14-F17 PolarHBondContact O-N 3.23Å; L14-I18 HydrophobicContact CD1-CD1 4.16Å; L14-I18 HydrophobicContact CD1-CG1 4.28Å; L14-I18 HydrophobicContact CD2-CD1 4.36Å; L14-I18 HydrophobicContact CG-CD1 3.82Å; L14-I18 HydrophobicContact CG-CG1 4.33Å; L14-I18 WeakPolarHBondContact O-CB 3.3Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 2.67Å
15T89.6Confident86.9Confident2 Ų254.7 Ų54.71%0.01230%0.301CS..Hα-helixtrans-60.4-46.9175.1-48.30000110.6L6 S9 S10 S12 W13 F19 F71L6-T15 HydrophobicContact CD2-CG2 3.93Å; S9-T15 PolarHBondContact OG-OG1 2.95Å; S10-T15 PolarHBondContact O-OG1 3.45Å; S12-T15 VanDerWaalsContact O-CB 3.29Å; S12-T15 WeakPolarHBondContact O-CB 3.29Å; S12-T15 PolarHBondContact O-N 3.13Å; S12-T15 PolarHBondContact OG-N 3.49Å; S12-T15 PolarHBondContact OG-OG1 2.81Å; W13-T15 VanDerWaalsContact C-N 3.32Å; T15-F19 WeakPolarHBondContact O-CB 3.45Å; T15-F19 PolarHBondContact O-N 3.05Å; T15-F71 HydrophobicContact CG2-CE1 3.78Å; T15-F71 HydrophobicContact CG2-CZ 3.81Å
16T89.9Confident87.4Confident26 Ų2649.5 Ų49.516%0.1627%0.274CS..Hα-helixtrans-60.9-46.5174.1-56.70000111.8S12 W13 F19 R20 E70S12-T16 PolarHBondContact O-N 3.43Å; W13-T16 PolarHBondContact O-N 3.39Å; T16-F19 PolarHBondContact O-N 2.89Å; T16-R20 HydrophobicContact CG2-CG 4.43Å; T16-R20 WeakPolarHBondContact O-CG 3.43Å; T16-R20 PolarHBondContact O-N 3.33Å; T16-E70 WeakPolarHBondContact CA-O 3.33Å; T16-E70 VanDerWaalsContact CB-O 3.32Å; T16-E70 WeakPolarHBondContact CB-O 3.36Å; T16-E70 WeakPolarHBondContact CG2-O 3.42Å; T16-E70 WeakPolarHBondContact OG1-CA 3.39Å; T16-E70 WeakPolarHBondContact OG1-CB 3.33Å; T16-E70 PolarHBondContact OG1-O 2.91Å
17F92.3Very high88Confident67 Ų6749.9 Ų49.929%0.29428%0.276SS..Hα-helixtrans-58.5-51.1-179.7-177.7-90.8000111.7W13 L14 F19 R20 I21 W81 F84W13-F17 HydrophobicContact CE3-CB 4.36Å; W13-F17 HydrophobicContact CZ3-CB 4.34Å; W13-F17 HydrophobicContact CZ3-CD2 4.43Å; W13-F17 HydrophobicContact CZ3-CG 4.41Å; W13-F17 WeakPolarHBondContact O-CB 3.26Å; W13-F17 PolarHBondContact O-N 3.45Å; L14-F17 PolarHBondContact O-N 3.23Å; F17-F19 PolarHBondContact O-N 2.91Å; F17-R20 PolarHBondContact O-N 3.25Å; F17-I21 HydrophobicContact CD1-CD1 3.67Å; F17-I21 HydrophobicContact CE1-CD1 3.21Å; F17-I21 HydrophobicContact CE2-CD1 4.33Å; F17-I21 HydrophobicContact CG-CD1 4.41Å; F17-I21 HydrophobicContact CZ-CD1 3.59Å; F17-I21 WeakPolarHBondContact O-CG1 3.15Å; F17-I21 PolarHBondContact O-N 3.41Å; F17-W81 AromaticContact CD2-CH2 3.62Å; F17-W81 HydrophobicContact CD2-CH2 3.62Å; F17-W81 AromaticContact CD2-CZ3 3.6Å; F17-W81 HydrophobicContact CD2-CZ3 3.6Å; F17-W81 HydrophobicContact CE2-CH2 4.23Å; F17-W81 AromaticContact CE2-CZ3 3.98Å; F17-W81 HydrophobicContact CE2-CZ3 3.98Å; F17-W81 HydrophobicContact CG-CH2 4.41Å; F17-W81 HydrophobicContact CG-CZ3 4.23Å; F17-F84 HydrophobicContact CE1-CE1 4.43Å; F17-F84 HydrophobicContact CE2-CE1 4.36Å; F17-F84 AromaticContact CZ-CE1 3.66Å; F17-F84 HydrophobicContact CZ-CE1 3.66Å; F17-F84 HydrophobicContact CZ-CZ 4.18Å
18I92.4Very high88.7Confident50 Ų5047 Ų4726%0.25627%0.269SS..Hα-helixtrans-63.4-43.1178.3-67.8172.9000110.7L2 L6 L14 R20 I21 H22L2-I18 HydrophobicContact CD1-CG2 3.58Å; L2-I18 HydrophobicContact CD2-CG2 3.82Å; L2-I18 HydrophobicContact CG-CG2 3.83Å; L6-I18 HydrophobicContact CD2-CB 4.22Å; L6-I18 HydrophobicContact CD2-CG2 3.89Å; L6-I18 HydrophobicContact CG-CG2 4.37Å; L14-I18 HydrophobicContact CD1-CD1 4.16Å; L14-I18 HydrophobicContact CD1-CG1 4.28Å; L14-I18 HydrophobicContact CD2-CD1 4.36Å; L14-I18 HydrophobicContact CG-CD1 3.82Å; L14-I18 HydrophobicContact CG-CG1 4.33Å; L14-I18 WeakPolarHBondContact O-CB 3.3Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 2.67Å; I18-R20 PolarHBondContact O-N 2.96Å; I18-I21 PolarHBondContact O-N 3.33Å; I18-H22 VanDerWaalsContact O-CB 3.25Å; I18-H22 WeakPolarHBondContact O-CB 3.31Å; I18-H22 PolarHBondContact O-N 3.08Å
19F92.5Very high89.3Confident0 Ų043.7 Ų43.70%024%0.24CC..Hα-helixtrans-60.6-45.6179.6175.9-109.3000112.3L6 T15 T16 F17 H22 L23 P61 F64 L65 F71L6-F19 HydrophobicContact CD1-CB 4.45Å; L6-F19 HydrophobicContact CD1-CD2 4.21Å; L6-F19 HydrophobicContact CD2-CB 4.34Å; T15-F19 WeakPolarHBondContact O-CB 3.45Å; T15-F19 PolarHBondContact O-N 3.05Å; T16-F19 PolarHBondContact O-N 2.89Å; F17-F19 PolarHBondContact O-N 2.91Å; F19-H22 WeakPolarHBondContact O-CB 3.34Å; F19-H22 PolarHBondContact O-N 3.4Å; F19-L23 HydrophobicContact CD1-CD1 4.03Å; F19-L23 HydrophobicContact CE1-CD1 3.43Å; F19-L23 VanDerWaalsContact CE1-CD1 3.43Å; F19-L23 HydrophobicContact CE1-CG 4.16Å; F19-L23 HydrophobicContact CE2-CD1 4.26Å; F19-L23 HydrophobicContact CE2-CD2 4.33Å; F19-L23 HydrophobicContact CE2-CG 4.17Å; F19-L23 HydrophobicContact CZ-CD1 3.58Å; F19-L23 HydrophobicContact CZ-CD2 4.22Å; F19-L23 HydrophobicContact CZ-CG 3.99Å; F19-L23 WeakPolarHBondContact O-CG 3.38Å; F19-L23 PolarHBondContact O-N 3.06Å; F19-P61 HydrophobicContact CE2-CB 4.1Å; F19-F64 HydrophobicContact CE2-CB 4.43Å; F19-L65 HydrophobicContact CZ-CD1 4.49Å; F19-F71 HydrophobicContact CB-CD1 4.14Å; F19-F71 HydrophobicContact CD1-CB 4.22Å; F19-F71 HydrophobicContact CD1-CD1 4.21Å; F19-F71 AromaticContact CD2-CD1 3.61Å; F19-F71 HydrophobicContact CD2-CD1 3.61Å; F19-F71 HydrophobicContact CD2-CE1 4.3Å; F19-F71 VanDerWaalsContact CE1-C 3.48Å; F19-F71 HydrophobicContact CE1-CB 3.93Å; F19-F71 WeakPolarHBondContact CE1-O 3.46Å; F19-F71 HydrophobicContact CE2-CB 4.41Å; F19-F71 AromaticContact CE2-CD1 3.95Å; F19-F71 HydrophobicContact CE2-CD1 3.95Å; F19-F71 AromaticContact CG-CD1 3.73Å; F19-F71 HydrophobicContact CG-CD1 3.73Å; F19-F71 HydrophobicContact CZ-CB 4.02Å; F19-F71 HydrophobicContact CZ-CD1 4.38Å
20R93.2Very high89.9Confident38 Ų3843.5 Ų43.514%0.14324%0.235CC..Hα-helixtrans-63.6-43.5178.9-73.2-177.8-178.8-172.52.8112.1T16 F17 I18 H22 L23 H24 S72 W81T16-R20 HydrophobicContact CG2-CG 4.43Å; T16-R20 WeakPolarHBondContact O-CG 3.43Å; T16-R20 PolarHBondContact O-N 3.33Å; F17-R20 PolarHBondContact O-N 3.25Å; I18-R20 PolarHBondContact O-N 2.96Å; R20-H22 VanDerWaalsContact C-N 3.34Å; R20-L23 PolarHBondContact O-N 3.12Å; R20-H24 PolarHBondContact O-CD2 3.2Å; R20-H24 VanDerWaalsContact O-CD2 3.23Å; R20-H24 PolarHBondContact O-N 3.22Å; R20-S72 PolarHBondContact NE-O 3.49Å; R20-S72 PolarHBondContact NH2-OG 3.47Å; R20-W81 HydrophobicContact CB-CD2 4.04Å; R20-W81 HydrophobicContact CB-CE3 3.6Å; R20-W81 HydrophobicContact CB-CZ3 3.91Å; R20-W81 HydrophobicContact CG-CE3 4.44Å
21I93.7Very high90.8Very high18 Ų1841.5 Ų41.59%0.09222%0.217CC..Hα-helixtrans-61.5-46.9174.9-67.7169.4000110.3F17 I18 L23 H24 M25 F84 I88F17-I21 HydrophobicContact CD1-CD1 3.67Å; F17-I21 HydrophobicContact CE1-CD1 3.21Å; F17-I21 HydrophobicContact CE2-CD1 4.33Å; F17-I21 HydrophobicContact CG-CD1 4.41Å; F17-I21 HydrophobicContact CZ-CD1 3.59Å; F17-I21 WeakPolarHBondContact O-CG1 3.15Å; F17-I21 PolarHBondContact O-N 3.41Å; I18-I21 PolarHBondContact O-N 3.33Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 3.44Å; I21-H24 PolarHBondContact O-N 3.12Å; I21-H24 VanDerWaalsContact O-N 3.11Å; I21-M25 HydrophobicContact CG2-CG 4.25Å; I21-M25 HydrophobicContact CG2-SD 3.72Å; I21-M25 WeakPolarHBondContact O-CG 3.14Å; I21-M25 PolarHBondContact O-N 2.85Å; I21-F84 HydrophobicContact CD1-CD1 4Å; I21-F84 HydrophobicContact CD1-CE1 3.64Å; I21-F84 HydrophobicContact CG1-CD1 4.19Å; I21-F84 HydrophobicContact CG1-CE1 4.34Å; I21-I88 HydrophobicContact CD1-CD1 4.15Å; I21-I88 HydrophobicContact CG2-CD1 4.27Å
22H92.5Very high91.7Very high24 Ų2438.3 Ų38.311%0.11120%0.196CC..Hα-helixtrans-58.2-40.9179.3-178.461.8000112.5L2 Q3 I18 F19 R20 H24 M25 P61L2-H22 HydrophobicContact CD2-CB 3.69Å; Q3-H22 PolarHBondContact NE2-NE2 3.26Å; I18-H22 VanDerWaalsContact O-CB 3.25Å; I18-H22 WeakPolarHBondContact O-CB 3.31Å; I18-H22 PolarHBondContact O-N 3.08Å; F19-H22 WeakPolarHBondContact O-CB 3.34Å; F19-H22 PolarHBondContact O-N 3.4Å; R20-H22 VanDerWaalsContact C-N 3.34Å; H22-H24 PolarHBondContact O-N 3.13Å; H22-M25 PolarHBondContact O-N 3.17Å; H22-P61 VanDerWaalsContact NE2-CG 3.33Å; H22-P61 WeakPolarHBondContact NE2-CG 3.48Å
23L92.5Very high92Very high5 Ų539 Ų393%0.02620%0.196CC..Hα-helixtrans-61-42.7175-77.1-179.8000112.5F19 R20 I21 M25 M26 P61 V73 L144 L148F19-L23 HydrophobicContact CD1-CD1 4.03Å; F19-L23 HydrophobicContact CE1-CD1 3.43Å; F19-L23 VanDerWaalsContact CE1-CD1 3.43Å; F19-L23 HydrophobicContact CE1-CG 4.16Å; F19-L23 HydrophobicContact CE2-CD1 4.26Å; F19-L23 HydrophobicContact CE2-CD2 4.33Å; F19-L23 HydrophobicContact CE2-CG 4.17Å; F19-L23 HydrophobicContact CZ-CD1 3.58Å; F19-L23 HydrophobicContact CZ-CD2 4.22Å; F19-L23 HydrophobicContact CZ-CG 3.99Å; F19-L23 WeakPolarHBondContact O-CG 3.38Å; F19-L23 PolarHBondContact O-N 3.06Å; R20-L23 PolarHBondContact O-N 3.12Å; I21-L23 VanDerWaalsContact C-N 3.3Å; I21-L23 PolarHBondContact O-N 3.44Å; L23-M25 VanDerWaalsContact C-N 3.25Å; L23-M25 PolarHBondContact O-N 3.05Å; L23-M26 WeakPolarHBondContact O-CB 3.21Å; L23-M26 PolarHBondContact O-N 3.03Å; L23-P61 HydrophobicContact CD2-CB 3.73Å; L23-V73 HydrophobicContact CD1-CG1 3.45Å; L23-V73 VanDerWaalsContact CD1-CG1 3.45Å; L23-L144 WeakPolarHBondContact O-CD2 3.31Å; L23-L148 HydrophobicContact CD1-CD1 4.09Å; L23-L148 HydrophobicContact CD2-CD1 3.96Å
24H94.8Very high92.3Very high4 Ų434 Ų342%0.01919%0.187CC..Hα-helixtrans-77.1-8.7178.3-72.8-60.9000113.9R20 I21 H22 E74 S85 Q89 T145R20-H24 PolarHBondContact O-CD2 3.2Å; R20-H24 VanDerWaalsContact O-CD2 3.23Å; R20-H24 PolarHBondContact O-N 3.22Å; I21-H24 PolarHBondContact O-N 3.12Å; I21-H24 VanDerWaalsContact O-N 3.11Å; H22-H24 PolarHBondContact O-N 3.13Å; H24-E74 IonicContact CE1-OE1 2.88Å; H24-E74 PolarHBondContact CE1-OE1 3.33Å; H24-E74 VanDerWaalsContact NE2-CD 3.29Å; H24-E74 IonicContact NE2-OE1 3.74Å; H24-E74 PolarHBondContact NE2-OE1 3Å; H24-E74 IonicContact NE2-OE2 3.36Å; H24-E74 PolarHBondContact NE2-OE2 2.88Å; H24-S85 VanDerWaalsContact CB-CB 3.45Å; H24-S85 WeakPolarHBondContact CB-OG 3.44Å; H24-Q89 PolarHBondContact O-NE2 2.97Å; H24-T145 PolarHBondContact CE1-OG1 3.46Å
25M92.8Very high92.4Very high65 Ų6535 Ų3532%0.3219%0.189SC..THydrogen-bonded Turntrans-93.414.3172.2-65.9-17784.800113.4I21 H22 L23 N27 I88 Q89I21-M25 HydrophobicContact CG2-CG 4.25Å; I21-M25 HydrophobicContact CG2-SD 3.72Å; I21-M25 WeakPolarHBondContact O-CG 3.14Å; I21-M25 PolarHBondContact O-N 2.85Å; H22-M25 PolarHBondContact O-N 3.17Å; L23-M25 VanDerWaalsContact C-N 3.25Å; L23-M25 PolarHBondContact O-N 3.05Å; M25-N27 VanDerWaalsContact C-N 3.29Å; M25-N27 PolarHBondContact O-N 3.28Å; M25-N27 PolarHBondContact O-OD1 2.97Å; M25-I88 HydrophobicContact CE-CG2 4.32Å; M25-Q89 HydrophobicContact CE-CG 3.66Å; M25-Q89 HydrophobicContact CG-CG 4Å
26M91.2Very high92.6Very high7 Ų737.7 Ų37.73%0.03421%0.206CC..THydrogen-bonded Turntrans-82.94.1-176.7-146.363.764.700115.2L23 G28 P29 L30 I57 I58 P61 L144L23-M26 WeakPolarHBondContact O-CB 3.21Å; L23-M26 PolarHBondContact O-N 3.03Å; M26-G28 PolarHBondContact O-N 3.45Å; M26-P29 WeakPolarHBondContact O-CD 3.43Å; M26-P29 HydrophobicContact SD-CG 4.03Å; M26-L30 WeakPolarHBondContact O-CG 3.41Å; M26-L30 PolarHBondContact O-N 3.49Å; M26-I57 HydrophobicContact SD-CG2 3.69Å; M26-I58 HydrophobicContact CG-CG1 3.91Å; M26-I58 HydrophobicContact SD-CG1 4.29Å; M26-P61 HydrophobicContact CE-CB 4.29Å; M26-P61 HydrophobicContact CE-CG 3.79Å; M26-L144 HydrophobicContact CB-CD2 4.08Å
27N91.6Very high92.5Very high16 Ų1641.3 Ų41.39%0.08622%0.224CC..Hα-helixtrans-61.6-40.5178.154.4-61.6000112.9M25 L30 L31 Q89 I137 L140M25-N27 VanDerWaalsContact C-N 3.29Å; M25-N27 PolarHBondContact O-N 3.28Å; M25-N27 PolarHBondContact O-OD1 2.97Å; N27-L30 PolarHBondContact O-N 2.72Å; N27-L31 WeakPolarHBondContact O-CG 3.4Å; N27-L31 PolarHBondContact O-N 2.81Å; N27-Q89 PolarHBondContact ND2-OE1 3.36Å; N27-Q89 PolarHBondContact OD1-NE2 3.25Å; N27-Q89 VanDerWaalsContact OD1-NE2 3.07Å; N27-Q89 PolarHBondContact OD1-OE1 3.29Å; N27-I137 HydrophobicContact CB-CG1 3.96Å; N27-L140 HydrophobicContact CB-CD2 4.14Å
28G91.5Very high92.5Very high34 Ų3440.1 Ų40.135%0.35122%0.22SC..Hα-helixtrans-58.7-54.8179.700000113M26 L30 L31 A32M26-G28 PolarHBondContact O-N 3.45Å; G28-L30 VanDerWaalsContact C-N 3.27Å; G28-L30 PolarHBondContact O-N 3.4Å; G28-L31 PolarHBondContact O-N 3.43Å; G28-A32 WeakPolarHBondContact O-CB 3.39Å; G28-A32 PolarHBondContact O-N 3.44Å
29P93.1Very high92.3Very high20 Ų2044.1 Ų44.113%0.1324%0.242CC..Hα-helixtrans-58.1-36176.8-27.934.6000114.5M26 A32 L33 I57 I58M26-P29 WeakPolarHBondContact O-CD 3.43Å; M26-P29 HydrophobicContact SD-CG 4.03Å; P29-A32 PolarHBondContact O-N 2.94Å; P29-L33 WeakPolarHBondContact O-CG 3.32Å; P29-L33 PolarHBondContact O-N 3.32Å; P29-L33 VanDerWaalsContact O-N 3.14Å; P29-I57 HydrophobicContact CB-CB 4.47Å; P29-I57 HydrophobicContact CB-CG2 3.94Å; P29-I57 HydrophobicContact CG-CB 4.37Å; P29-I57 HydrophobicContact CG-CG2 3.42Å; P29-I57 VanDerWaalsContact CG-CG2 3.42Å; P29-I58 HydrophobicContact CB-CD1 4.13Å; P29-I58 HydrophobicContact CB-CG1 3.97Å
30L92.4Very high91.9Very high47 Ų4749.2 Ų49.225%0.24627%0.273CS..Hα-helixtrans-67.5-46.5176.4-73.9165.9000111.4M26 N27 G28 A32 L33 T34 I58 L140M26-L30 WeakPolarHBondContact O-CG 3.41Å; M26-L30 PolarHBondContact O-N 3.49Å; N27-L30 PolarHBondContact O-N 2.72Å; G28-L30 VanDerWaalsContact C-N 3.27Å; G28-L30 PolarHBondContact O-N 3.4Å; L30-A32 VanDerWaalsContact C-N 3.28Å; L30-A32 PolarHBondContact O-N 3.34Å; L30-L33 PolarHBondContact O-N 3.19Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L30-T34 PolarHBondContact O-N 3.13Å; L30-T34 PolarHBondContact O-OG1 2.88Å; L30-T34 VanDerWaalsContact O-OG1 3.08Å; L30-I58 HydrophobicContact CD2-CD1 3.61Å; L30-I58 HydrophobicContact CG-CD1 3.92Å; L30-L140 HydrophobicContact CB-CD2 4.2Å; L30-L140 HydrophobicContact CD1-CD1 3.93Å; L30-L140 HydrophobicContact CD1-CD2 3.55Å; L30-L140 HydrophobicContact CD1-CG 3.81Å
31L92.3Very high91.7Very high47 Ų4750.7 Ų50.725%0.24628%0.279CS..Hα-helixtrans-59.6-39.8174.5-74.2167.9000112N27 G28 L33 T34 F35N27-L31 WeakPolarHBondContact O-CG 3.4Å; N27-L31 PolarHBondContact O-N 2.81Å; G28-L31 PolarHBondContact O-N 3.43Å; L31-L33 VanDerWaalsContact C-N 3.28Å; L31-L33 PolarHBondContact O-N 2.77Å; L31-T34 PolarHBondContact O-N 2.83Å; L31-F35 HydrophobicContact CD2-CD2 4.13Å; L31-F35 HydrophobicContact CD2-CE2 4.22Å; L31-F35 PolarHBondContact O-N 3.18Å
32A93.1Very high91.6Very high17 Ų1755.2 Ų55.214%0.1431%0.312CS..Hα-helixtrans-64.4-30.7177.100000113G28 P29 L30 P36 Y50 H54G28-A32 WeakPolarHBondContact O-CB 3.39Å; G28-A32 PolarHBondContact O-N 3.44Å; P29-A32 PolarHBondContact O-N 2.94Å; L30-A32 VanDerWaalsContact C-N 3.28Å; L30-A32 PolarHBondContact O-N 3.34Å; A32-P36 VanDerWaalsContact O-CA 3.31Å; A32-P36 WeakPolarHBondContact O-CA 3.4Å; A32-Y50 WeakPolarHBondContact CA-OH 3.35Å; A32-Y50 WeakPolarHBondContact CB-OH 3.31Å; A32-Y50 WeakPolarHBondContact O-CE1 3.33Å; A32-Y50 PolarHBondContact O-OH 2.93Å; A32-H54 WeakPolarHBondContact CB-CD2 3.39Å; A32-H54 WeakPolarHBondContact CB-NE2 3.41Å
33L94.2Very high91.7Very high50 Ų5058.2 Ų58.226%0.26233%0.328SS..Hα-helixtrans-79.5-37.2173.6-70.5174.5000112.5P29 L30 L31 F51 H54 I55 I58P29-L33 WeakPolarHBondContact O-CG 3.32Å; P29-L33 PolarHBondContact O-N 3.32Å; P29-L33 VanDerWaalsContact O-N 3.14Å; L30-L33 PolarHBondContact O-N 3.19Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L31-L33 VanDerWaalsContact C-N 3.28Å; L31-L33 PolarHBondContact O-N 2.77Å; L33-F51 HydrophobicContact CD2-CD1 3.86Å; L33-H54 HydrophobicContact CD1-CB 4.36Å; L33-H54 HydrophobicContact CD2-CB 3.71Å; L33-H54 HydrophobicContact CG-CB 3.85Å; L33-I55 HydrophobicContact CD1-CG1 4.25Å; L33-I55 HydrophobicContact CD2-CG1 4.13Å; L33-I58 HydrophobicContact CD1-CD1 3.49Å; L33-I58 VanDerWaalsContact CD1-CD1 3.49Å
34T92.7Very high91.7Very high94 Ų9462.9 Ų62.958%0.57736%0.359SS*.Hα-helixtrans-74.7-38179.4-52.70000112.4L30 L31 P36L30-T34 PolarHBondContact O-N 3.13Å; L30-T34 PolarHBondContact O-OG1 2.88Å; L30-T34 VanDerWaalsContact O-OG1 3.08Å; L31-T34 PolarHBondContact O-N 2.83Å; T34-P36 WeakPolarHBondContact O-CD 3.26Å
35F92.4Very high91.6Very high104 Ų10470.3 Ų70.346%0.45639%0.391SS..SBendtrans-126.374.8-178.4-56.2-73000109.7L31 I37L31-F35 HydrophobicContact CD2-CD2 4.13Å; L31-F35 HydrophobicContact CD2-CE2 4.22Å; L31-F35 PolarHBondContact O-N 3.18Å; F35-I37 PolarHBondContact O-N 2.98Å
36P93.1Very high91.7Very high58 Ų5870 Ų7038%0.37739%0.389SS..  trans-70.5125.9-17229.8-36.6000112.1A32 T34 L38 Y50 F51A32-P36 VanDerWaalsContact O-CA 3.31Å; A32-P36 WeakPolarHBondContact O-CA 3.4Å; T34-P36 WeakPolarHBondContact O-CD 3.26Å; P36-L38 HydrophobicContact CB-CD1 4.04Å; P36-L38 HydrophobicContact CB-CG 4.04Å; P36-L38 HydrophobicContact CG-CD1 4.41Å; P36-L38 PolarHBondContact O-N 2.91Å; P36-Y50 HydrophobicContact CB-CE1 3.75Å; P36-F51 HydrophobicContact CB-CE1 4.19Å; P36-F51 HydrophobicContact CB-CZ 4.04Å; P36-F51 HydrophobicContact CG-CZ 4.46Å
37I88.5Confident91.9Very high103 Ų10373.6 Ų73.653%0.52841%0.406SS..  trans-96.196.5175.2-56.7175.5000108.4F35 N39 R41 Y50F35-I37 PolarHBondContact O-N 2.98Å; I37-N39 VanDerWaalsContact CG2-OD1 3.23Å; I37-N39 WeakPolarHBondContact CG2-OD1 3.12Å; I37-R41 PolarHBondContact O-NE 3.31Å; I37-Y50 PolarHBondContact N-OH 2.71Å
38L91.3Very high92Very high41 Ų4177 Ų7722%0.21543%0.427CS..  trans-114.7-9.5-173.8-59.7171.4000113.4P36 T40 R41 Y50 F51P36-L38 HydrophobicContact CB-CD1 4.04Å; P36-L38 HydrophobicContact CB-CG 4.04Å; P36-L38 HydrophobicContact CG-CD1 4.41Å; P36-L38 PolarHBondContact O-N 2.91Å; L38-T40 PolarHBondContact O-N 3.45Å; L38-R41 PolarHBondContact O-N 2.76Å; L38-R41 VanDerWaalsContact O-N 3.1Å; L38-Y50 HydrophobicContact CD2-CD1 3.63Å; L38-Y50 HydrophobicContact CD2-CE1 4.02Å; L38-Y50 HydrophobicContact CD2-CG 4.01Å; L38-F51 HydrophobicContact CD1-CE2 4.07Å; L38-F51 HydrophobicContact CD1-CZ 4.02Å; L38-F51 HydrophobicContact CD2-CE2 4.38Å
39N88.2Confident92.2Very high134 Ų13478.4 Ų78.472%0.71743%0.429SS*.THydrogen-bonded Turntrans-63.4-23.4-174.762.2-34.3000114.6I37I37-N39 VanDerWaalsContact CG2-OD1 3.23Å; I37-N39 WeakPolarHBondContact CG2-OD1 3.12Å
40T85.5Confident92.3Very high107 Ų10777.8 Ų77.866%0.65642%0.424SS*.THydrogen-bonded Turntrans-96.9-0.1178.455.30000113.6L38L38-T40 PolarHBondContact O-N 3.45Å
41R89.5Confident92.5Very high70 Ų7079 Ų7926%0.26443%0.428SS..  trans-100.789.5-173-64.8177.5-170.7-104.9-13.4111.1I37 L38 E46 H47 Y50I37-R41 PolarHBondContact O-NE 3.31Å; L38-R41 PolarHBondContact O-N 2.76Å; L38-R41 VanDerWaalsContact O-N 3.1Å; R41-E46 WeakPolarHBondContact CA-OE2 3.35Å; R41-E46 HydrophobicContact CB-CB 3.9Å; R41-E46 WeakPolarHBondContact CB-OE2 3.49Å; R41-E46 HydrophobicContact CG-CB 4.41Å; R41-H47 PolarHBondContact O-CE1 3.25Å; R41-Y50 VanDerWaalsContact NH1-CB 3.31Å; R41-Y50 VanDerWaalsContact NH2-CE2 3.27Å
42S91.3Very high92.7Very high113 Ų11380.3 Ų80.379%0.7944%0.437SS*.  trans-97.3-13.5-172.8-55.50000114.5E46S42-E46 PolarHBondContact N-OE2 3.26Å
43L93.3Very high92.8Very high86 Ų8684.2 Ų84.245%0.4545%0.452SS..SBendtrans-84.2150.9-176.8-59.7171.1000111.5E46L43-E46 VanDerWaalsContact CB-CD 3.44Å; L43-E46 HydrophobicContact CB-CG 3.77Å; L43-E46 WeakPolarHBondContact CD1-OE1 3.26Å; L43-E46 PolarHBondContact N-OE2 2.82Å; L43-E46 WeakPolarHBondContact O-CB 3.45Å; L43-E46 PolarHBondContact O-N 2.79Å
44P92.4Very high92.8Very high104 Ų10483.3 Ų83.368%0.67545%0.447SS*.THydrogen-bonded Turntrans-58.2143.5175.525.5-35000110.8E46P44-E46 PolarHBondContact O-N 3.45Å
45F94Very high92.9Very high159 Ų15982.9 Ų82.970%0.69744%0.44SS*.THydrogen-bonded Turntrans66.8-1.4-177.5-53.9-74.9000117.3H47 V48 T49F45-H47 VanDerWaalsContact C-N 3.29Å; F45-H47 PolarHBondContact O-N 2.72Å; F45-V48 PolarHBondContact O-N 2.72Å; F45-T49 VanDerWaalsContact O-CB 3.26Å; F45-T49 WeakPolarHBondContact O-CB 3.28Å; F45-T49 PolarHBondContact O-N 3.44Å; F45-T49 PolarHBondContact O-OG1 2.75Å
46E95.2Very high92.9Very high58 Ų5881.6 Ų81.627%0.27144%0.438SS..Hα-helixtrans-64.7-35.3177.6-74.7-174.2148.300112.8R41 S42 L43 P44 Y50R41-E46 WeakPolarHBondContact CA-OE2 3.35Å; R41-E46 HydrophobicContact CB-CB 3.9Å; R41-E46 WeakPolarHBondContact CB-OE2 3.49Å; R41-E46 HydrophobicContact CG-CB 4.41Å; S42-E46 PolarHBondContact N-OE2 3.26Å; L43-E46 VanDerWaalsContact CB-CD 3.44Å; L43-E46 HydrophobicContact CB-CG 3.77Å; L43-E46 WeakPolarHBondContact CD1-OE1 3.26Å; L43-E46 PolarHBondContact N-OE2 2.82Å; L43-E46 WeakPolarHBondContact O-CB 3.45Å; L43-E46 PolarHBondContact O-N 2.79Å; P44-E46 PolarHBondContact O-N 3.45Å; E46-Y50 VanDerWaalsContact O-CB 3.26Å; E46-Y50 WeakPolarHBondContact O-CB 3.43Å; E46-Y50 PolarHBondContact O-N 3.36Å
47H93.8Very high92.9Very high83 Ų8381.6 Ų81.638%0.38443%0.434SS..Hα-helixtrans-66.4-47.8176-70.277.4000111.5R41 F45 Y50 F51R41-H47 PolarHBondContact O-CE1 3.25Å; F45-H47 VanDerWaalsContact C-N 3.29Å; F45-H47 PolarHBondContact O-N 2.72Å; H47-Y50 VanDerWaalsContact O-CB 3.29Å; H47-Y50 WeakPolarHBondContact O-CB 3.34Å; H47-Y50 PolarHBondContact O-N 3.25Å; H47-F51 WeakPolarHBondContact O-CD2 3.33Å; H47-F51 PolarHBondContact O-N 3.24Å
48V95.4Very high93Very high87 Ų8778.6 Ų78.653%0.52742%0.418SS..Hα-helixtrans-62.9-49178.3179.40000109.8F45 Y50 F51 V52F45-V48 PolarHBondContact O-N 2.72Å; V48-Y50 VanDerWaalsContact C-N 3.27Å; V48-Y50 PolarHBondContact O-N 2.81Å; V48-F51 PolarHBondContact O-N 3.43Å; V48-V52 HydrophobicContact CG1-CG2 4.2Å; V48-V52 WeakPolarHBondContact O-CB 3.21Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.21Å; V48-V52 PolarHBondContact O-N 3.48Å
49T95.4Very high92.9Very high64 Ų6481.4 Ų81.439%0.39343%0.433SS..Hα-helixtrans-59.7-38.9178.2-55.20000111.3F45 V52 Q53F45-T49 VanDerWaalsContact O-CB 3.26Å; F45-T49 WeakPolarHBondContact O-CB 3.28Å; F45-T49 PolarHBondContact O-N 3.44Å; F45-T49 PolarHBondContact O-OG1 2.75Å; T49-V52 PolarHBondContact O-N 2.88Å; T49-Q53 HydrophobicContact CG2-CG 4.06Å; T49-Q53 VanDerWaalsContact O-CB 3.26Å; T49-Q53 WeakPolarHBondContact O-CB 3.18Å; T49-Q53 WeakPolarHBondContact O-CG 3.29Å; T49-Q53 PolarHBondContact O-N 3.47Å
50Y95.3Very high92.9Very high8 Ų877.1 Ų77.13%0.03141%0.41CS..Hα-helixtrans-53.7-59173.4178.2-108.3000111.5A32 P36 I37 L38 R41 E46 H47 V48 V52 Q53 H54A32-Y50 WeakPolarHBondContact CA-OH 3.35Å; A32-Y50 WeakPolarHBondContact CB-OH 3.31Å; A32-Y50 WeakPolarHBondContact O-CE1 3.33Å; A32-Y50 PolarHBondContact O-OH 2.93Å; P36-Y50 HydrophobicContact CB-CE1 3.75Å; I37-Y50 PolarHBondContact N-OH 2.71Å; L38-Y50 HydrophobicContact CD2-CD1 3.63Å; L38-Y50 HydrophobicContact CD2-CE1 4.02Å; L38-Y50 HydrophobicContact CD2-CG 4.01Å; R41-Y50 VanDerWaalsContact NH1-CB 3.31Å; R41-Y50 VanDerWaalsContact NH2-CE2 3.27Å; E46-Y50 VanDerWaalsContact O-CB 3.26Å; E46-Y50 WeakPolarHBondContact O-CB 3.43Å; E46-Y50 PolarHBondContact O-N 3.36Å; H47-Y50 VanDerWaalsContact O-CB 3.29Å; H47-Y50 WeakPolarHBondContact O-CB 3.34Å; H47-Y50 PolarHBondContact O-N 3.25Å; V48-Y50 VanDerWaalsContact C-N 3.27Å; V48-Y50 PolarHBondContact O-N 2.81Å; Y50-V52 PolarHBondContact O-N 3.44Å; Y50-Q53 PolarHBondContact O-N 3.02Å; Y50-H54 AromaticContact CD2-CE1 3.2Å; Y50-H54 WeakPolarHBondContact CD2-CE1 3.2Å; Y50-H54 AromaticContact CD2-ND1 3.41Å; Y50-H54 WeakPolarHBondContact CD2-ND1 3.47Å; Y50-H54 AromaticContact CE2-CE1 3.12Å; Y50-H54 WeakPolarHBondContact CE2-CE1 3.2Å; Y50-H54 AromaticContact CE2-ND1 3.58Å; Y50-H54 AromaticContact CE2-NE2 3.83Å; Y50-H54 AromaticContact CG-ND1 3.9Å; Y50-H54 AromaticContact CZ-CE1 3.91Å; Y50-H54 PolarHBondContact O-N 2.97Å; Y50-H54 VanDerWaalsContact O-N 3.1Å; Y50-H54 PolarHBondContact O-ND1 3.28Å
51F96.3Very high93Very high73 Ų7372.1 Ų72.132%0.3238%0.379SS..Hα-helixtrans-64.4-43.4-176.2-72.9-69000111.4L33 P36 L38 H47 V48 Q53 H54 I55L33-F51 HydrophobicContact CD2-CD1 3.86Å; P36-F51 HydrophobicContact CB-CE1 4.19Å; P36-F51 HydrophobicContact CB-CZ 4.04Å; P36-F51 HydrophobicContact CG-CZ 4.46Å; L38-F51 HydrophobicContact CD1-CE2 4.07Å; L38-F51 HydrophobicContact CD1-CZ 4.02Å; L38-F51 HydrophobicContact CD2-CE2 4.38Å; H47-F51 WeakPolarHBondContact O-CD2 3.33Å; H47-F51 PolarHBondContact O-N 3.24Å; V48-F51 PolarHBondContact O-N 3.43Å; F51-Q53 PolarHBondContact O-N 2.88Å; F51-H54 PolarHBondContact O-N 3.39Å; F51-I55 WeakPolarHBondContact O-CB 3.5Å; F51-I55 WeakPolarHBondContact O-CD1 3.39Å; F51-I55 WeakPolarHBondContact O-CG1 3.38Å; F51-I55 PolarHBondContact O-N 2.89Å
52V95.8Very high92.8Very high73 Ų7370.3 Ų70.344%0.44238%0.379SS..Hα-helixtrans-58.5-47.6177.3170.50000111V48 T49 Y50 H54 I55 L56V48-V52 HydrophobicContact CG1-CG2 4.2Å; V48-V52 WeakPolarHBondContact O-CB 3.21Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.21Å; V48-V52 PolarHBondContact O-N 3.48Å; T49-V52 PolarHBondContact O-N 2.88Å; Y50-V52 PolarHBondContact O-N 3.44Å; V52-H54 PolarHBondContact O-N 3.39Å; V52-I55 PolarHBondContact O-N 3.23Å; V52-L56 HydrophobicContact CG1-CD1 3.69Å; V52-L56 HydrophobicContact CG1-CG 4.24Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 3.43Å
53Q94.5Very high92.4Very high100 Ų10067 Ų6747%0.46736%0.356SS..Hα-helixtrans-60.2-47.7179.4-77.1176.9-10.900111.8T49 Y50 F51 L56 I57T49-Q53 HydrophobicContact CG2-CG 4.06Å; T49-Q53 VanDerWaalsContact O-CB 3.26Å; T49-Q53 WeakPolarHBondContact O-CB 3.18Å; T49-Q53 WeakPolarHBondContact O-CG 3.29Å; T49-Q53 PolarHBondContact O-N 3.47Å; Y50-Q53 PolarHBondContact O-N 3.02Å; F51-Q53 PolarHBondContact O-N 2.88Å; Q53-L56 PolarHBondContact O-N 3.08Å; Q53-I57 WeakPolarHBondContact O-CD1 3.34Å; Q53-I57 WeakPolarHBondContact O-CG1 3.35Å; Q53-I57 PolarHBondContact O-N 2.66Å
54H94.6Very high91.9Very high31 Ų3164.3 Ų64.314%0.14434%0.341CS..Hα-helixtrans-68.5-38.4-177.7-68.983.5000112.4A32 L33 Y50 F51 V52 I57 I58A32-H54 WeakPolarHBondContact CB-CD2 3.39Å; A32-H54 WeakPolarHBondContact CB-NE2 3.41Å; L33-H54 HydrophobicContact CD1-CB 4.36Å; L33-H54 HydrophobicContact CD2-CB 3.71Å; L33-H54 HydrophobicContact CG-CB 3.85Å; Y50-H54 AromaticContact CD2-CE1 3.2Å; Y50-H54 WeakPolarHBondContact CD2-CE1 3.2Å; Y50-H54 AromaticContact CD2-ND1 3.41Å; Y50-H54 WeakPolarHBondContact CD2-ND1 3.47Å; Y50-H54 AromaticContact CE2-CE1 3.12Å; Y50-H54 WeakPolarHBondContact CE2-CE1 3.2Å; Y50-H54 AromaticContact CE2-ND1 3.58Å; Y50-H54 AromaticContact CE2-NE2 3.83Å; Y50-H54 AromaticContact CG-ND1 3.9Å; Y50-H54 AromaticContact CZ-CE1 3.91Å; Y50-H54 PolarHBondContact O-N 2.97Å; Y50-H54 VanDerWaalsContact O-N 3.1Å; Y50-H54 PolarHBondContact O-ND1 3.28Å; F51-H54 PolarHBondContact O-N 3.39Å; V52-H54 PolarHBondContact O-N 3.39Å; H54-I57 PolarHBondContact O-N 3.46Å; H54-I58 PolarHBondContact O-N 3.28Å
55I94.9Very high91.5Very high84 Ų8460.3 Ų60.343%0.43131%0.313SS..Hα-helixtrans-62.8-47.1174.1-69.7166.1000110.5L33 F51 V52 I57 I58 L59L33-I55 HydrophobicContact CD1-CG1 4.25Å; L33-I55 HydrophobicContact CD2-CG1 4.13Å; F51-I55 WeakPolarHBondContact O-CB 3.5Å; F51-I55 WeakPolarHBondContact O-CD1 3.39Å; F51-I55 WeakPolarHBondContact O-CG1 3.38Å; F51-I55 PolarHBondContact O-N 2.89Å; V52-I55 PolarHBondContact O-N 3.23Å; I55-I57 VanDerWaalsContact C-N 3.31Å; I55-I57 PolarHBondContact O-N 3.35Å; I55-I58 PolarHBondContact O-N 3.26Å; I55-I58 VanDerWaalsContact O-N 3.16Å; I55-L59 WeakPolarHBondContact O-CB 3.32Å; I55-L59 PolarHBondContact O-N 2.82Å
56L93.1Very high90.9Very high78 Ų7856 Ų5641%0.40830%0.297SS..Hα-helixtrans-63.5-38179.7-73.1176000112V52 Q53 I58 L59 I60V52-L56 HydrophobicContact CG1-CD1 3.69Å; V52-L56 HydrophobicContact CG1-CG 4.24Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 WeakPolarHBondContact O-CG 3.28Å; V52-L56 PolarHBondContact O-N 3.43Å; Q53-L56 PolarHBondContact O-N 3.08Å; L56-I58 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 3.18Å; L56-I60 HydrophobicContact CB-CD1 4.09Å; L56-I60 VanDerWaalsContact O-CB 3.32Å; L56-I60 WeakPolarHBondContact O-CB 3.28Å; L56-I60 VanDerWaalsContact O-CG1 3.24Å; L56-I60 WeakPolarHBondContact O-CG1 3.37Å; L56-I60 PolarHBondContact O-N 3.38Å
57I92.5Very high90.3Very high57 Ų5756.8 Ų56.829%0.29230%0.301SS..Hα-helixtrans-58.6-35.6176.7-72.8163.2000111.2Q3 M26 P29 Q53 H54 I55 P61Q3-I57 PolarHBondContact NE2-O 3.47Å; M26-I57 HydrophobicContact SD-CG2 3.69Å; P29-I57 HydrophobicContact CB-CB 4.47Å; P29-I57 HydrophobicContact CB-CG2 3.94Å; P29-I57 HydrophobicContact CG-CB 4.37Å; P29-I57 HydrophobicContact CG-CG2 3.42Å; P29-I57 VanDerWaalsContact CG-CG2 3.42Å; Q53-I57 WeakPolarHBondContact O-CD1 3.34Å; Q53-I57 WeakPolarHBondContact O-CG1 3.35Å; Q53-I57 PolarHBondContact O-N 2.66Å; H54-I57 PolarHBondContact O-N 3.46Å; I55-I57 VanDerWaalsContact C-N 3.31Å; I55-I57 PolarHBondContact O-N 3.35Å; I57-P61 WeakPolarHBondContact O-CD 3.46Å; I57-P61 WeakPolarHBondContact O-CG 3.48Å
58I90.7Very high89.7Confident41 Ų4158.5 Ų58.521%0.2132%0.322CS..Hα-helixtrans-80.5-43.4177-65.4161.9000111.3M26 P29 L30 L33 H54 I55 L56M26-I58 HydrophobicContact CG-CG1 3.91Å; M26-I58 HydrophobicContact SD-CG1 4.29Å; P29-I58 HydrophobicContact CB-CD1 4.13Å; P29-I58 HydrophobicContact CB-CG1 3.97Å; L30-I58 HydrophobicContact CD2-CD1 3.61Å; L30-I58 HydrophobicContact CG-CD1 3.92Å; L33-I58 HydrophobicContact CD1-CD1 3.49Å; L33-I58 VanDerWaalsContact CD1-CD1 3.49Å; H54-I58 PolarHBondContact O-N 3.28Å; I55-I58 PolarHBondContact O-N 3.26Å; I55-I58 VanDerWaalsContact O-N 3.16Å; L56-I58 PolarHBondContact O-N 3.48Å
59L88.8Confident89.2Confident100 Ų10055.9 Ų55.952%0.52431%0.308SS..Hα-helixtrans-71.9-39-171.8-172.4144.7000112.9I55 L56 A62 S63I55-L59 WeakPolarHBondContact O-CB 3.32Å; I55-L59 PolarHBondContact O-N 2.82Å; L56-L59 PolarHBondContact O-N 3.18Å; L59-A62 PolarHBondContact O-N 3.38Å; L59-S63 PolarHBondContact O-N 3.16Å
60I89.2Confident88.6Confident43 Ų4355.3 Ų55.322%0.22130%0.301CS..Hα-helixtrans-60.4-52.9-176.3-71.5167.7000111.7Q3 L56 A62 S63 F64Q3-I60 HydrophobicContact CB-CG2 4.34Å; L56-I60 HydrophobicContact CB-CD1 4.09Å; L56-I60 VanDerWaalsContact O-CB 3.32Å; L56-I60 WeakPolarHBondContact O-CB 3.28Å; L56-I60 VanDerWaalsContact O-CG1 3.24Å; L56-I60 WeakPolarHBondContact O-CG1 3.37Å; L56-I60 PolarHBondContact O-N 3.38Å; I60-A62 VanDerWaalsContact C-N 3.31Å; I60-A62 PolarHBondContact O-N 3.17Å; I60-S63 PolarHBondContact O-N 3.23Å; I60-S63 VanDerWaalsContact O-N 3.11Å; I60-S63 PolarHBondContact O-OG 3.2Å; I60-F64 HydrophobicContact CG2-CD2 4.25Å; I60-F64 HydrophobicContact CG2-CE2 3.47Å; I60-F64 VanDerWaalsContact CG2-CE2 3.47Å; I60-F64 HydrophobicContact CG2-CZ 4.12Å; I60-F64 WeakPolarHBondContact O-CD2 3.38Å; I60-F64 PolarHBondContact O-N 2.88Å
61P86.6Confident88.2Confident3 Ų356.2 Ų56.22%0.01931%0.305CS..Hα-helixtrans-61.1-38.5176.5-24.335.5000113Q3 F19 H22 L23 M26 I57 S63 F64 L65Q3-P61 HydrophobicContact CG-CG 4.39Å; F19-P61 HydrophobicContact CE2-CB 4.1Å; H22-P61 VanDerWaalsContact NE2-CG 3.33Å; H22-P61 WeakPolarHBondContact NE2-CG 3.48Å; L23-P61 HydrophobicContact CD2-CB 3.73Å; M26-P61 HydrophobicContact CE-CB 4.29Å; M26-P61 HydrophobicContact CE-CG 3.79Å; I57-P61 WeakPolarHBondContact O-CD 3.46Å; I57-P61 WeakPolarHBondContact O-CG 3.48Å; P61-S63 PolarHBondContact O-N 2.8Å; P61-F64 PolarHBondContact O-N 3.14Å; P61-L65 PolarHBondContact O-N 2.73Å
62A85.7Confident87.9Confident31 Ų3153.4 Ų53.426%0.25630%0.295SS..Hα-helixtrans-62.2-33.6176.400000112L59 I60 L65 L148L59-A62 PolarHBondContact O-N 3.38Å; I60-A62 VanDerWaalsContact C-N 3.31Å; I60-A62 PolarHBondContact O-N 3.17Å; A62-L65 VanDerWaalsContact O-CB 3.29Å; A62-L65 WeakPolarHBondContact O-CB 3.29Å; A62-L65 PolarHBondContact O-N 2.98Å; A62-L148 HydrophobicContact CB-CD2 3.79Å
63S83.8Confident87.8Confident44 Ų4450 Ų5031%0.30827%0.274SS..Hα-helixtrans-73.1-24177.576.20000114.7L59 I60 P61 L65L59-S63 PolarHBondContact O-N 3.16Å; I60-S63 PolarHBondContact O-N 3.23Å; I60-S63 VanDerWaalsContact O-N 3.11Å; I60-S63 PolarHBondContact O-OG 3.2Å; P61-S63 PolarHBondContact O-N 2.8Å; S63-L65 VanDerWaalsContact C-N 3.28Å
64F82.3Confident87.7Confident30 Ų3045.2 Ų45.213%0.13225%0.252CS..Hα-helixtrans-79.6-16174.2-67.7-49.8000113L7 F19 I60 P61 N66 F71L7-F64 HydrophobicContact CD1-CE2 4.06Å; L7-F64 HydrophobicContact CD1-CZ 3.78Å; L7-F64 HydrophobicContact CD2-CE1 4.01Å; L7-F64 HydrophobicContact CD2-CE2 4.48Å; L7-F64 HydrophobicContact CD2-CZ 3.49Å; L7-F64 VanDerWaalsContact CD2-CZ 3.49Å; L7-F64 HydrophobicContact CG-CE1 4.17Å; L7-F64 HydrophobicContact CG-CE2 3.85Å; L7-F64 HydrophobicContact CG-CZ 3.32Å; F19-F64 HydrophobicContact CE2-CB 4.43Å; I60-F64 HydrophobicContact CG2-CD2 4.25Å; I60-F64 HydrophobicContact CG2-CE2 3.47Å; I60-F64 VanDerWaalsContact CG2-CE2 3.47Å; I60-F64 HydrophobicContact CG2-CZ 4.12Å; I60-F64 WeakPolarHBondContact O-CD2 3.38Å; I60-F64 PolarHBondContact O-N 2.88Å; P61-F64 PolarHBondContact O-N 3.14Å; F64-N66 PolarHBondContact O-N 3.23Å; F64-N66 VanDerWaalsContact O-N 3.16Å; F64-F71 HydrophobicContact CB-CB 4.14Å; F64-F71 HydrophobicContact CB-CD1 4.05Å; F64-F71 HydrophobicContact CB-CD2 4.23Å; F64-F71 HydrophobicContact CB-CG 3.87Å; F64-F71 WeakPolarHBondContact O-CB 3.49Å
65L83.4Confident87.6Confident19 Ų1947.1 Ų47.110%0.09927%0.266CS..  trans-59.6121.2-171.7-169.2118.6000111.5F19 P61 A62 S63 F71 V73 L148 N152F19-L65 HydrophobicContact CZ-CD1 4.49Å; P61-L65 PolarHBondContact O-N 2.73Å; A62-L65 VanDerWaalsContact O-CB 3.29Å; A62-L65 WeakPolarHBondContact O-CB 3.29Å; A62-L65 PolarHBondContact O-N 2.98Å; S63-L65 VanDerWaalsContact C-N 3.28Å; L65-F71 WeakPolarHBondContact CA-O 3.34Å; L65-V73 HydrophobicContact CD1-CB 4.43Å; L65-V73 HydrophobicContact CD1-CG1 3.47Å; L65-V73 VanDerWaalsContact CD1-CG1 3.47Å; L65-V73 HydrophobicContact CD1-CG2 4.19Å; L65-L148 HydrophobicContact CD1-CB 3.59Å; L65-L148 HydrophobicContact CD1-CD1 3.8Å; L65-L148 HydrophobicContact CD1-CD2 4.15Å; L65-L148 HydrophobicContact CD1-CG 4.02Å; L65-L148 HydrophobicContact CD2-CB 4.12Å; L65-L148 WeakPolarHBondContact CD2-O 3.48Å; L65-L148 HydrophobicContact CG-CB 4.47Å; L65-N152 HydrophobicContact CD2-CB 3.68Å
66N82.6Confident87.4Confident68 Ų6846.6 Ų46.636%0.36426%0.264SS..  trans-151.8116.2173.1175.1-1.9000107.5F64 S68 S69 F71F64-N66 PolarHBondContact O-N 3.23Å; F64-N66 VanDerWaalsContact O-N 3.16Å; N66-S68 PolarHBondContact O-N 3.16Å; N66-S68 VanDerWaalsContact O-N 3.12Å; N66-S68 WeakPolarHBondContact OD1-CB 3.21Å; N66-S68 PolarHBondContact OD1-N 3.37Å; N66-S69 WeakPolarHBondContact CB-OG 3.34Å; N66-S69 PolarHBondContact O-N 3.5Å; N66-S69 PolarHBondContact O-OG 2.99Å; N66-S69 VanDerWaalsContact O-OG 3.12Å; N66-F71 PolarHBondContact N-O 3.12Å; N66-F71 CarbonylContact O-C 3.37Å
67Q82.4Confident87.4Confident76 Ų7648.9 Ų48.936%0.35528%0.276SS..THydrogen-bonded Turntrans-65.1-18.5-177-161.365.329.400113V73 N152Q67-V73 PolarHBondContact NE2-O 2.92Å; Q67-N152 WeakPolarHBondContact CB-ND2 3.19Å; Q67-N152 PolarHBondContact N-OD1 3.04Å
68S80.3Confident87.6Confident118 Ų11848.5 Ų48.583%0.82528%0.275SS*.THydrogen-bonded Turntrans-90.30.7175.3-54.10000113.6N66N66-S68 PolarHBondContact O-N 3.16Å; N66-S68 VanDerWaalsContact O-N 3.12Å; N66-S68 WeakPolarHBondContact OD1-CB 3.21Å; N66-S68 PolarHBondContact OD1-N 3.37Å
69S84.9Confident87.8Confident32 Ų3251.5 Ų51.522%0.22429%0.287CS..SBendtrans-117.2-179.3178.380.30000112N66 F71N66-S69 WeakPolarHBondContact CB-OG 3.34Å; N66-S69 PolarHBondContact O-N 3.5Å; N66-S69 PolarHBondContact O-OG 2.99Å; N66-S69 VanDerWaalsContact O-OG 3.12Å; S69-F71 PolarHBondContact O-N 3.24Å; S69-F71 PolarHBondContact OG-N 2.81Å; S69-F71 VanDerWaalsContact OG-N 3.13Å
70E83.6Confident88.2Confident52 Ų5249.7 Ų49.724%0.24328%0.282CS..SBendtrans-61.4-23.2172.8-48.3102.1-119.300112.9S11 T16 S72S11-E70 VanDerWaalsContact CA-CD 3.4Å; S11-E70 WeakPolarHBondContact CA-OE2 3.44Å; S11-E70 WeakPolarHBondContact CB-OE1 3.16Å; S11-E70 VanDerWaalsContact CB-OE2 3.26Å; S11-E70 WeakPolarHBondContact CB-OE2 3.32Å; S11-E70 VanDerWaalsContact OG-CG 3.29Å; S11-E70 WeakPolarHBondContact OG-CG 3.48Å; S11-E70 PolarHBondContact OG-OE1 3.45Å; T16-E70 WeakPolarHBondContact CA-O 3.33Å; T16-E70 VanDerWaalsContact CB-O 3.32Å; T16-E70 WeakPolarHBondContact CB-O 3.36Å; T16-E70 WeakPolarHBondContact CG2-O 3.42Å; T16-E70 WeakPolarHBondContact OG1-CA 3.39Å; T16-E70 WeakPolarHBondContact OG1-CB 3.33Å; T16-E70 PolarHBondContact OG1-O 2.91Å; E70-S72 PolarHBondContact O-N 3.38Å
71F87.2Confident88.6Confident27 Ų2749.7 Ų49.712%0.11828%0.28CS..SBendtrans-85.451178.6-58.8-73.3000111.1L6 T15 F19 F64 L65 N66 S69L6-F71 HydrophobicContact CB-CE1 4.23Å; L6-F71 HydrophobicContact CD2-CE1 4.32Å; T15-F71 HydrophobicContact CG2-CE1 3.78Å; T15-F71 HydrophobicContact CG2-CZ 3.81Å; F19-F71 HydrophobicContact CB-CD1 4.14Å; F19-F71 HydrophobicContact CD1-CB 4.22Å; F19-F71 HydrophobicContact CD1-CD1 4.21Å; F19-F71 AromaticContact CD2-CD1 3.61Å; F19-F71 HydrophobicContact CD2-CD1 3.61Å; F19-F71 HydrophobicContact CD2-CE1 4.3Å; F19-F71 VanDerWaalsContact CE1-C 3.48Å; F19-F71 HydrophobicContact CE1-CB 3.93Å; F19-F71 WeakPolarHBondContact CE1-O 3.46Å; F19-F71 HydrophobicContact CE2-CB 4.41Å; F19-F71 AromaticContact CE2-CD1 3.95Å; F19-F71 HydrophobicContact CE2-CD1 3.95Å; F19-F71 AromaticContact CG-CD1 3.73Å; F19-F71 HydrophobicContact CG-CD1 3.73Å; F19-F71 HydrophobicContact CZ-CB 4.02Å; F19-F71 HydrophobicContact CZ-CD1 4.38Å; F64-F71 HydrophobicContact CB-CB 4.14Å; F64-F71 HydrophobicContact CB-CD1 4.05Å; F64-F71 HydrophobicContact CB-CD2 4.23Å; F64-F71 HydrophobicContact CB-CG 3.87Å; F64-F71 WeakPolarHBondContact O-CB 3.49Å; L65-F71 WeakPolarHBondContact CA-O 3.34Å; N66-F71 PolarHBondContact N-O 3.12Å; N66-F71 CarbonylContact O-C 3.37Å; S69-F71 PolarHBondContact O-N 3.24Å; S69-F71 PolarHBondContact OG-N 2.81Å; S69-F71 VanDerWaalsContact OG-N 3.13Å
72S89.7Confident89.1Confident15 Ų1549.5 Ų49.511%0.10528%0.279CS..PPolyproline II helixtrans-99.1144.8178.262.80000111.5R20 E70R20-S72 PolarHBondContact NE-O 3.49Å; R20-S72 PolarHBondContact NH2-OG 3.47Å; E70-S72 PolarHBondContact O-N 3.38Å
73V92.1Very high89.6Confident0 Ų052.3 Ų52.30%029%0.288CS..PPolyproline II helixtrans-88.4156.5171.6-74.40000110.8L23 L65 Q67 T145 L148 L149L23-V73 HydrophobicContact CD1-CG1 3.45Å; L23-V73 VanDerWaalsContact CD1-CG1 3.45Å; L65-V73 HydrophobicContact CD1-CB 4.43Å; L65-V73 HydrophobicContact CD1-CG1 3.47Å; L65-V73 VanDerWaalsContact CD1-CG1 3.47Å; L65-V73 HydrophobicContact CD1-CG2 4.19Å; Q67-V73 PolarHBondContact NE2-O 2.92Å; V73-T145 HydrophobicContact CB-CG2 4.22Å; V73-T145 HydrophobicContact CG2-CG2 4.49Å; V73-L148 HydrophobicContact CG1-CD1 4.26Å; V73-L149 HydrophobicContact CG2-CD2 3.49Å; V73-L149 VanDerWaalsContact CG2-CD2 3.49Å; V73-L149 HydrophobicContact CG2-CG 3.69Å
74E92.7Very high90.3Very high1 Ų154.6 Ų54.61%0.00529%0.293CS..PPolyproline II helixtrans-69.8158.917475.9-70.2166.700112.6H24 D78 W81 K142 T145H24-E74 IonicContact CE1-OE1 2.88Å; H24-E74 PolarHBondContact CE1-OE1 3.33Å; H24-E74 VanDerWaalsContact NE2-CD 3.29Å; H24-E74 IonicContact NE2-OE1 3.74Å; H24-E74 PolarHBondContact NE2-OE1 3Å; H24-E74 IonicContact NE2-OE2 3.36Å; H24-E74 PolarHBondContact NE2-OE2 2.88Å; E74-D78 HydrophobicContact CB-CB 4.42Å; E74-D78 HydrophobicContact CG-CB 4.3Å; E74-W81 VanDerWaalsContact CB-CD1 3.41Å; E74-W81 HydrophobicContact CB-CG 4.19Å; E74-W81 HydrophobicContact CG-CB 4.26Å; E74-W81 HydrophobicContact CG-CG 4.17Å; E74-K142 IonicContact OE1-NZ 3.82Å; E74-T145 WeakPolarHBondContact O-CG2 3.35Å; E74-T145 WeakPolarHBondContact OE1-CG2 3.39Å; E74-T145 PolarHBondContact OE1-OG1 3.42Å
75P92.2Very high91Very high70 Ų7053.1 Ų53.146%0.45529%0.286SS..PPolyproline II helixtrans-55.3149.3169.1-25.736.7000112.7D77 D78P75-D77 WeakPolarHBondContact CB-OD1 3.43Å; P75-D77 PolarHBondContact O-N 3.03Å; P75-D78 HydrophobicContact CB-CB 4.38Å; P75-D78 PolarHBondContact O-N 3.33Å
76I91.9Very high91.6Very high74 Ų7453.3 Ų53.338%0.37929%0.287SS..THydrogen-bonded Turntrans-63.1-33-172.7-167.861.4000112.9D78 K142 T145 L146 L149I76-D78 VanDerWaalsContact C-N 3.34Å; I76-K142 HydrophobicContact CD1-CD 4.33Å; I76-K142 WeakPolarHBondContact O-CE 3.29Å; I76-K142 PolarHBondContact O-NZ 3.26Å; I76-T145 HydrophobicContact CD1-CG2 4.36Å; I76-L146 HydrophobicContact CD1-CB 3.85Å; I76-L146 HydrophobicContact CD1-CD1 4.43Å; I76-L149 HydrophobicContact CB-CD1 4.43Å
77D93.4Very high92.3Very high125 Ų12552.7 Ų52.767%0.66829%0.289SS*.THydrogen-bonded Turntrans-77.9-13.3178.158.6-34.3000113.8P75 F79P75-D77 WeakPolarHBondContact CB-OD1 3.43Å; P75-D77 PolarHBondContact O-N 3.03Å; D77-F79 WeakPolarHBondContact O-CD2 3.5Å; D77-F79 PolarHBondContact O-N 2.96Å
78D95.5Very high93Very high49 Ų4951.8 Ų51.826%0.26229%0.286SS..  trans-85.793.3178.9-179.67.4000111.8E74 P75 I76 S80 W81 K142E74-D78 HydrophobicContact CB-CB 4.42Å; E74-D78 HydrophobicContact CG-CB 4.3Å; P75-D78 HydrophobicContact CB-CB 4.38Å; P75-D78 PolarHBondContact O-N 3.33Å; I76-D78 VanDerWaalsContact C-N 3.34Å; D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 VanDerWaalsContact CG-OG 3.29Å; D78-S80 PolarHBondContact O-N 3.41Å; D78-S80 WeakPolarHBondContact OD1-CB 3.49Å; D78-S80 PolarHBondContact OD1-N 3.5Å; D78-S80 PolarHBondContact OD1-OG 2.92Å; D78-S80 PolarHBondContact OD2-OG 3.28Å; D78-W81 VanDerWaalsContact OD2-CD1 3.29Å; D78-W81 PolarHBondContact OD2-NE1 2.89Å; D78-K142 VanDerWaalsContact C-NZ 3.26Å; D78-K142 PolarHBondContact O-NZ 3.37Å
79F96.4Very high93.7Very high104 Ų10446.6 Ų46.646%0.45625%0.248SC..  trans-79.3-2.5178.4-75.2-100.8000114.6D77 W81 V82 I83 K142D77-F79 WeakPolarHBondContact O-CD2 3.5Å; D77-F79 PolarHBondContact O-N 2.96Å; F79-W81 VanDerWaalsContact C-N 3.34Å; F79-W81 PolarHBondContact O-N 3Å; F79-V82 HydrophobicContact CB-CG1 4.28Å; F79-V82 HydrophobicContact CD1-CG1 3.91Å; F79-V82 HydrophobicContact CG-CG1 4.49Å; F79-V82 VanDerWaalsContact O-CG1 3.31Å; F79-V82 WeakPolarHBondContact O-CG1 3.44Å; F79-V82 PolarHBondContact O-N 3.4Å; F79-I83 HydrophobicContact CB-CD1 3.99Å; F79-I83 WeakPolarHBondContact O-CB 3.29Å; F79-I83 VanDerWaalsContact O-CG1 3.31Å; F79-I83 WeakPolarHBondContact O-CG1 3.23Å; F79-I83 PolarHBondContact O-N 3.49Å; F79-I83 VanDerWaalsContact O-N 3.08Å; F79-K142 HydrophobicContact CD1-CD 4.37Å; F79-K142 HydrophobicContact CD1-CG 4.15Å; F79-K142 HydrophobicContact CE1-CD 4.09Å; F79-K142 HydrophobicContact CE1-CG 3.61Å; F79-K142 HydrophobicContact CZ-CD 4.28Å; F79-K142 HydrophobicContact CZ-CG 4.08Å
80S97Very high94.2Very high62 Ų6247.7 Ų47.743%0.43425%0.253SS..Hα-helixtrans-59.2-44.1-174.965.10000112.3D78 I83 F84D78-S80 VanDerWaalsContact C-N 3.27Å; D78-S80 VanDerWaalsContact CG-OG 3.29Å; D78-S80 PolarHBondContact O-N 3.41Å; D78-S80 WeakPolarHBondContact OD1-CB 3.49Å; D78-S80 PolarHBondContact OD1-N 3.5Å; D78-S80 PolarHBondContact OD1-OG 2.92Å; D78-S80 PolarHBondContact OD2-OG 3.28Å; S80-I83 PolarHBondContact O-N 3.3Å; S80-F84 WeakPolarHBondContact O-CB 3.34Å; S80-F84 PolarHBondContact O-N 2.95Å
81W96.2Very high94.8Very high43 Ų4350 Ų5016%0.16327%0.267CS..Hα-helixtrans-66.7-40-177.4-6794.9000113.9F17 R20 E74 D78 F79 S85F17-W81 AromaticContact CD2-CH2 3.62Å; F17-W81 HydrophobicContact CD2-CH2 3.62Å; F17-W81 AromaticContact CD2-CZ3 3.6Å; F17-W81 HydrophobicContact CD2-CZ3 3.6Å; F17-W81 HydrophobicContact CE2-CH2 4.23Å; F17-W81 AromaticContact CE2-CZ3 3.98Å; F17-W81 HydrophobicContact CE2-CZ3 3.98Å; F17-W81 HydrophobicContact CG-CH2 4.41Å; F17-W81 HydrophobicContact CG-CZ3 4.23Å; R20-W81 HydrophobicContact CB-CD2 4.04Å; R20-W81 HydrophobicContact CB-CE3 3.6Å; R20-W81 HydrophobicContact CB-CZ3 3.91Å; R20-W81 HydrophobicContact CG-CE3 4.44Å; E74-W81 VanDerWaalsContact CB-CD1 3.41Å; E74-W81 HydrophobicContact CB-CG 4.19Å; E74-W81 HydrophobicContact CG-CB 4.26Å; E74-W81 HydrophobicContact CG-CG 4.17Å; D78-W81 VanDerWaalsContact OD2-CD1 3.29Å; D78-W81 PolarHBondContact OD2-NE1 2.89Å; F79-W81 VanDerWaalsContact C-N 3.34Å; F79-W81 PolarHBondContact O-N 3Å; W81-S85 VanDerWaalsContact O-CB 3.28Å; W81-S85 WeakPolarHBondContact O-CB 3.23Å; W81-S85 PolarHBondContact O-N 3.45Å; W81-S85 PolarHBondContact O-OG 3.49Å
82V96.9Very high95.3Very high0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-73.3-38.317970.30000111F79 L86 L138F79-V82 HydrophobicContact CB-CG1 4.28Å; F79-V82 HydrophobicContact CD1-CG1 3.91Å; F79-V82 HydrophobicContact CG-CG1 4.49Å; F79-V82 VanDerWaalsContact O-CG1 3.31Å; F79-V82 WeakPolarHBondContact O-CG1 3.44Å; F79-V82 PolarHBondContact O-N 3.4Å; V82-L86 VanDerWaalsContact O-CB 3.32Å; V82-L86 WeakPolarHBondContact O-CB 3.48Å; V82-L86 PolarHBondContact O-N 2.87Å; V82-L138 HydrophobicContact CG1-CD2 3.92Å; V82-L138 HydrophobicContact CG2-CD2 4.08Å
83I97.6Very high95.6Very high89 Ų8956.5 Ų56.546%0.45629%0.292SS..Hα-helixtrans-67.5-42.6175.8-67.9169.4000110.9F79 S80 L86 S87 L138F79-I83 HydrophobicContact CB-CD1 3.99Å; F79-I83 WeakPolarHBondContact O-CB 3.29Å; F79-I83 VanDerWaalsContact O-CG1 3.31Å; F79-I83 WeakPolarHBondContact O-CG1 3.23Å; F79-I83 PolarHBondContact O-N 3.49Å; F79-I83 VanDerWaalsContact O-N 3.08Å; S80-I83 PolarHBondContact O-N 3.3Å; I83-L86 PolarHBondContact O-N 3.23Å; I83-S87 PolarHBondContact O-N 2.98Å; I83-S87 PolarHBondContact O-OG 2.78Å; I83-L138 HydrophobicContact CG1-CD2 3.98Å
84F97.6Very high95.7Very high92 Ų9261.7 Ų61.740%0.40432%0.315SS..Hα-helixtrans-63.4-45.4177.2-176.2-109.6000111.4F17 I21 S80 L86 S87 I88F17-F84 HydrophobicContact CE1-CE1 4.43Å; F17-F84 HydrophobicContact CE2-CE1 4.36Å; F17-F84 AromaticContact CZ-CE1 3.66Å; F17-F84 HydrophobicContact CZ-CE1 3.66Å; F17-F84 HydrophobicContact CZ-CZ 4.18Å; I21-F84 HydrophobicContact CD1-CD1 4Å; I21-F84 HydrophobicContact CD1-CE1 3.64Å; I21-F84 HydrophobicContact CG1-CD1 4.19Å; I21-F84 HydrophobicContact CG1-CE1 4.34Å; S80-F84 WeakPolarHBondContact O-CB 3.34Å; S80-F84 PolarHBondContact O-N 2.95Å; F84-L86 PolarHBondContact O-N 3.22Å; F84-S87 WeakPolarHBondContact O-CB 3.5Å; F84-S87 PolarHBondContact O-N 3.03Å; F84-S87 VanDerWaalsContact O-N 3.12Å; F84-I88 HydrophobicContact CD1-CD1 3.94Å; F84-I88 HydrophobicContact CE1-CD1 3.43Å; F84-I88 VanDerWaalsContact CE1-CD1 3.43Å; F84-I88 HydrophobicContact CE1-CG1 4.34Å; F84-I88 HydrophobicContact CZ-CD1 3.82Å; F84-I88 HydrophobicContact CZ-CG1 4.39Å; F84-I88 PolarHBondContact O-N 3.1Å
85S96.8Very high95.9Very high0 Ų067.4 Ų67.40%034%0.344CS..Hα-helixtrans-63.3-40.8175.7-58.90000112.5H24 W81 S87 I88 Q89H24-S85 VanDerWaalsContact CB-CB 3.45Å; H24-S85 WeakPolarHBondContact CB-OG 3.44Å; W81-S85 VanDerWaalsContact O-CB 3.28Å; W81-S85 WeakPolarHBondContact O-CB 3.23Å; W81-S85 PolarHBondContact O-N 3.45Å; W81-S85 PolarHBondContact O-OG 3.49Å; S85-S87 VanDerWaalsContact C-N 3.29Å; S85-S87 PolarHBondContact O-N 3.44Å; S85-I88 PolarHBondContact O-N 3.05Å; S85-Q89 WeakPolarHBondContact O-CG 3.33Å; S85-Q89 PolarHBondContact O-N 2.85Å
86L96.7Very high96.1Very high22 Ų2267 Ų6712%0.11534%0.34CS..Hα-helixtrans-58.2-43.6171.517363.5000110.9V82 I83 F84 I88 Q89 V90 I137 L138V82-L86 VanDerWaalsContact O-CB 3.32Å; V82-L86 WeakPolarHBondContact O-CB 3.48Å; V82-L86 PolarHBondContact O-N 2.87Å; I83-L86 PolarHBondContact O-N 3.23Å; F84-L86 PolarHBondContact O-N 3.22Å; L86-I88 PolarHBondContact O-N 3.48Å; L86-Q89 WeakPolarHBondContact O-CB 3.37Å; L86-Q89 PolarHBondContact O-N 2.87Å; L86-V90 HydrophobicContact CD1-CG2 4.01Å; L86-V90 HydrophobicContact CG-CG2 4.35Å; L86-V90 WeakPolarHBondContact O-CB 3.31Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 3.25Å; L86-I137 HydrophobicContact CB-CG2 4.21Å; L86-I137 HydrophobicContact CD1-CB 4.18Å; L86-I137 HydrophobicContact CD1-CD1 3.72Å; L86-I137 HydrophobicContact CD1-CG2 4.08Å; L86-L138 HydrophobicContact CD2-CD1 4.32Å; L86-L138 HydrophobicContact CD2-CD2 3.97Å; L86-L138 HydrophobicContact CD2-CG 4.04Å
87S97.7Very high96.4Very high56 Ų5664.5 Ų64.539%0.39233%0.328SS..Hα-helixtrans-61.4-44.8178.9-55.80000111.5I83 F84 S85 Q89 V90 L91I83-S87 PolarHBondContact O-N 2.98Å; I83-S87 PolarHBondContact O-OG 2.78Å; F84-S87 WeakPolarHBondContact O-CB 3.5Å; F84-S87 PolarHBondContact O-N 3.03Å; F84-S87 VanDerWaalsContact O-N 3.12Å; S85-S87 VanDerWaalsContact C-N 3.29Å; S85-S87 PolarHBondContact O-N 3.44Å; S87-Q89 PolarHBondContact O-N 3.3Å; S87-V90 PolarHBondContact O-N 2.98Å; S87-L91 VanDerWaalsContact O-CG 3.32Å; S87-L91 WeakPolarHBondContact O-CG 3.25Å; S87-L91 PolarHBondContact O-N 2.91Å
88I96.6Very high96.5Very high57 Ų5760 Ų6029%0.29230%0.303SS..Hα-helixtrans-60.5-45.3173.9-68.9173.5000110.9I21 M25 F84 S85 L86 L91 Y92I21-I88 HydrophobicContact CD1-CD1 4.15Å; I21-I88 HydrophobicContact CG2-CD1 4.27Å; M25-I88 HydrophobicContact CE-CG2 4.32Å; F84-I88 HydrophobicContact CD1-CD1 3.94Å; F84-I88 HydrophobicContact CE1-CD1 3.43Å; F84-I88 VanDerWaalsContact CE1-CD1 3.43Å; F84-I88 HydrophobicContact CE1-CG1 4.34Å; F84-I88 HydrophobicContact CZ-CD1 3.82Å; F84-I88 HydrophobicContact CZ-CG1 4.39Å; F84-I88 PolarHBondContact O-N 3.1Å; S85-I88 PolarHBondContact O-N 3.05Å; L86-I88 PolarHBondContact O-N 3.48Å; I88-L91 PolarHBondContact O-N 2.92Å; I88-Y92 WeakPolarHBondContact O-CB 3.49Å; I88-Y92 PolarHBondContact O-N 2.87Å
89Q95.3Very high96.6Very high9 Ų960.2 Ų60.24%0.04231%0.307CS..Hα-helixtrans-61.5-46.2178.5-76.3-171.460.500111.9H24 M25 N27 S85 L86 S87 L91 Y92 H93H24-Q89 PolarHBondContact O-NE2 2.97Å; M25-Q89 HydrophobicContact CE-CG 3.66Å; M25-Q89 HydrophobicContact CG-CG 4Å; N27-Q89 PolarHBondContact ND2-OE1 3.36Å; N27-Q89 PolarHBondContact OD1-NE2 3.25Å; N27-Q89 VanDerWaalsContact OD1-NE2 3.07Å; N27-Q89 PolarHBondContact OD1-OE1 3.29Å; S85-Q89 WeakPolarHBondContact O-CG 3.33Å; S85-Q89 PolarHBondContact O-N 2.85Å; L86-Q89 WeakPolarHBondContact O-CB 3.37Å; L86-Q89 PolarHBondContact O-N 2.87Å; S87-Q89 PolarHBondContact O-N 3.3Å; Q89-L91 PolarHBondContact O-N 3.36Å; Q89-Y92 PolarHBondContact O-N 3.33Å; Q89-H93 PolarHBondContact O-N 2.89Å; Q89-H93 PolarHBondContact O-ND1 2.89Å
90V95.7Very high96.6Very high54 Ų5458.8 Ų58.833%0.32730%0.303SS..Hα-helixtrans-57.9-50.3176.2168.70000109.8L86 S87 Y92 H93 F94L86-V90 HydrophobicContact CD1-CG2 4.01Å; L86-V90 HydrophobicContact CG-CG2 4.35Å; L86-V90 WeakPolarHBondContact O-CB 3.31Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 3.25Å; S87-V90 PolarHBondContact O-N 2.98Å; V90-Y92 VanDerWaalsContact C-N 3.33Å; V90-Y92 PolarHBondContact O-N 3.41Å; V90-H93 PolarHBondContact O-N 2.67Å; V90-H93 VanDerWaalsContact O-N 3.16Å; V90-F94 HydrophobicContact CG1-CD2 3.73Å; V90-F94 HydrophobicContact CG1-CE2 4.01Å; V90-F94 WeakPolarHBondContact O-CD2 3.39Å; V90-F94 PolarHBondContact O-N 3.32Å
91L96.8Very high96.6Very high100 Ų10055.8 Ų55.852%0.52428%0.282SS..Hα-helixtrans-58.2-44.4177.6-71.2172.9000112.1S87 I88 Q89 H93 F94 L95S87-L91 VanDerWaalsContact O-CG 3.32Å; S87-L91 WeakPolarHBondContact O-CG 3.25Å; S87-L91 PolarHBondContact O-N 2.91Å; I88-L91 PolarHBondContact O-N 2.92Å; Q89-L91 PolarHBondContact O-N 3.36Å; L91-H93 PolarHBondContact O-N 3.49Å; L91-F94 PolarHBondContact O-N 3.03Å; L91-L95 HydrophobicContact CB-CD1 4.38Å; L91-L95 HydrophobicContact CD2-CD1 3.92Å; L91-L95 WeakPolarHBondContact O-CB 3.39Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.36Å
92Y96.2Very high96.6Very high113 Ų11359.2 Ų59.244%0.44330%0.303SS..Hα-helixtrans-60.9-43.5176.3177-107.7000112.4I88 Q89 V90 V96 L97I88-Y92 WeakPolarHBondContact O-CB 3.49Å; I88-Y92 PolarHBondContact O-N 2.87Å; Q89-Y92 PolarHBondContact O-N 3.33Å; V90-Y92 VanDerWaalsContact C-N 3.33Å; V90-Y92 PolarHBondContact O-N 3.41Å; Y92-V96 HydrophobicContact CD2-CB 3.91Å; Y92-V96 HydrophobicContact CD2-CG1 4.34Å; Y92-V96 HydrophobicContact CD2-CG2 3.94Å; Y92-V96 HydrophobicContact CE2-CB 3.98Å; Y92-V96 HydrophobicContact CE2-CG1 3.91Å; Y92-V96 HydrophobicContact CE2-CG2 4.33Å; Y92-V96 WeakPolarHBondContact O-CA 3.39Å; Y92-V96 VanDerWaalsContact O-CB 3.26Å; Y92-V96 WeakPolarHBondContact O-CB 3.46Å; Y92-V96 PolarHBondContact O-N 3.11Å; Y92-L97 HydrophobicContact CD1-CD1 4.06Å; Y92-L97 HydrophobicContact CD1-CG 4.06Å; Y92-L97 HydrophobicContact CE1-CD1 3.64Å; Y92-L97 HydrophobicContact CE1-CD2 3.79Å; Y92-L97 HydrophobicContact CE1-CG 3.61Å; Y92-L97 PolarHBondContact O-N 3.5Å
93H95.5Very high96.6Very high67 Ų6767 Ų6731%0.3134%0.341SS..Iπ-helixtrans-68.4-40.7-179.5-75.166.8000112.3Q89 V90 L91 Q98Q89-H93 PolarHBondContact O-N 2.89Å; Q89-H93 PolarHBondContact O-ND1 2.89Å; V90-H93 PolarHBondContact O-N 2.67Å; V90-H93 VanDerWaalsContact O-N 3.16Å; L91-H93 PolarHBondContact O-N 3.49Å; H93-Q98 VanDerWaalsContact O-CB 3.31Å; H93-Q98 WeakPolarHBondContact O-CB 3.33Å; H93-Q98 PolarHBondContact O-N 3.38Å
94F95.5Very high96.6Very high109 Ų10966.4 Ų66.448%0.47834%0.342SS..Iπ-helixtrans-83-35.5-177.6-82-85.8000113.9V90 L91 P99 V130V90-F94 HydrophobicContact CG1-CD2 3.73Å; V90-F94 HydrophobicContact CG1-CE2 4.01Å; V90-F94 WeakPolarHBondContact O-CD2 3.39Å; V90-F94 PolarHBondContact O-N 3.32Å; L91-F94 PolarHBondContact O-N 3.03Å; F94-P99 WeakPolarHBondContact O-CD 3.03Å; F94-V130 HydrophobicContact CE2-CG2 4.39Å; F94-V130 HydrophobicContact CZ-CG2 3.96Å
95L96.9Very high96.4Very high121 Ų12164.7 Ų64.763%0.63435%0.35SS*.Iπ-helixtrans-95-22.3-175.5-59.2179.8000113.4L91 P99L91-L95 HydrophobicContact CB-CD1 4.38Å; L91-L95 HydrophobicContact CD2-CD1 3.92Å; L91-L95 WeakPolarHBondContact O-CB 3.39Å; L91-L95 WeakPolarHBondContact O-CG 3.42Å; L91-L95 PolarHBondContact O-N 3.36Å; L95-P99 WeakPolarHBondContact O-CG 3.33Å
96V96.9Very high96.3Very high60 Ų6069.4 Ų69.436%0.36437%0.374SS..Iπ-helixtrans-116.1-61-177.1-1730000110.9Y92 P99 I100Y92-V96 HydrophobicContact CD2-CB 3.91Å; Y92-V96 HydrophobicContact CD2-CG1 4.34Å; Y92-V96 HydrophobicContact CD2-CG2 3.94Å; Y92-V96 HydrophobicContact CE2-CB 3.98Å; Y92-V96 HydrophobicContact CE2-CG1 3.91Å; Y92-V96 HydrophobicContact CE2-CG2 4.33Å; Y92-V96 WeakPolarHBondContact O-CA 3.39Å; Y92-V96 VanDerWaalsContact O-CB 3.26Å; Y92-V96 WeakPolarHBondContact O-CB 3.46Å; Y92-V96 PolarHBondContact O-N 3.11Å; V96-P99 WeakPolarHBondContact O-CD 3.48Å; V96-I100 HydrophobicContact CG1-CD1 3.9Å; V96-I100 WeakPolarHBondContact O-CD1 3.47Å; V96-I100 VanDerWaalsContact O-CG1 3.24Å; V96-I100 WeakPolarHBondContact O-CG1 3.27Å; V96-I100 PolarHBondContact O-N 3.21Å
97L96.3Very high96.1Very high22 Ų2270.3 Ų70.312%0.11538%0.379CS..Iπ-helixtrans-67.2-43.1-174.2-62.4-174.5000112.3Y92 I100 A101 N109Y92-L97 HydrophobicContact CD1-CD1 4.06Å; Y92-L97 HydrophobicContact CD1-CG 4.06Å; Y92-L97 HydrophobicContact CE1-CD1 3.64Å; Y92-L97 HydrophobicContact CE1-CD2 3.79Å; Y92-L97 HydrophobicContact CE1-CG 3.61Å; Y92-L97 PolarHBondContact O-N 3.5Å; L97-I100 PolarHBondContact O-N 3.11Å; L97-A101 VanDerWaalsContact O-CB 3.26Å; L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 3.22Å; L97-N109 HydrophobicContact CB-CB 4.13Å; L97-N109 HydrophobicContact CD1-CB 4.12Å
98Q96Very high95.7Very high31 Ų3171.6 Ų71.615%0.14538%0.381CS..Hα-helixtrans-64.9-46.8-176.6-174.863.843.100112.8H93 I100 A101 L102 N109H93-Q98 VanDerWaalsContact O-CB 3.31Å; H93-Q98 WeakPolarHBondContact O-CB 3.33Å; H93-Q98 PolarHBondContact O-N 3.38Å; Q98-I100 PolarHBondContact O-N 3.39Å; Q98-A101 PolarHBondContact O-N 3.29Å; Q98-L102 HydrophobicContact CG-CD1 4.35Å; Q98-L102 WeakPolarHBondContact O-CG 3.38Å; Q98-L102 PolarHBondContact O-N 3.37Å; Q98-N109 PolarHBondContact OE1-ND2 3.46Å
99P97.4Very high95.4Very high54 Ų5469.8 Ų69.835%0.35137%0.372SS..Hα-helixtrans-60.3-43.9174.9-2838.1000112.7F94 L95 V96 A101 L102 M103F94-P99 WeakPolarHBondContact O-CD 3.03Å; L95-P99 WeakPolarHBondContact O-CG 3.33Å; V96-P99 WeakPolarHBondContact O-CD 3.48Å; P99-A101 VanDerWaalsContact C-N 3.32Å; P99-A101 PolarHBondContact O-N 3.34Å; P99-L102 PolarHBondContact O-N 2.64Å; P99-M103 VanDerWaalsContact O-CG 3.3Å; P99-M103 WeakPolarHBondContact O-CG 3.17Å; P99-M103 PolarHBondContact O-N 3.11Å
100I97.9Very high95.3Very high73 Ų7372.5 Ų72.537%0.37439%0.387SS..Hα-helixtrans-63-41.7178.2-63.6169.8000110.5V96 L97 Q98 L102 M103 T104 L108V96-I100 HydrophobicContact CG1-CD1 3.9Å; V96-I100 WeakPolarHBondContact O-CD1 3.47Å; V96-I100 VanDerWaalsContact O-CG1 3.24Å; V96-I100 WeakPolarHBondContact O-CG1 3.27Å; V96-I100 PolarHBondContact O-N 3.21Å; L97-I100 PolarHBondContact O-N 3.11Å; Q98-I100 PolarHBondContact O-N 3.39Å; I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.94Å; I100-M103 PolarHBondContact O-N 2.83Å; I100-T104 HydrophobicContact CG2-CG2 4.09Å; I100-T104 WeakPolarHBondContact O-CB 3.46Å; I100-T104 WeakPolarHBondContact O-CG2 3.47Å; I100-T104 PolarHBondContact O-N 3.22Å; I100-T104 PolarHBondContact O-OG1 3.35Å; I100-L108 HydrophobicContact CB-CD1 4.11Å; I100-L108 HydrophobicContact CG2-CD1 3.6Å
101A96.4Very high95.1Very high0 Ų071.4 Ų71.40%038%0.379CS..Hα-helixtrans-61.1-39.9176.700000112L97 Q98 P99 G105 I106L97-A101 VanDerWaalsContact O-CB 3.26Å; L97-A101 WeakPolarHBondContact O-CB 3.38Å; L97-A101 PolarHBondContact O-N 3.22Å; Q98-A101 PolarHBondContact O-N 3.29Å; P99-A101 VanDerWaalsContact C-N 3.32Å; P99-A101 PolarHBondContact O-N 3.34Å; A101-G105 VanDerWaalsContact O-CA 3.27Å; A101-G105 WeakPolarHBondContact O-CA 3.15Å; A101-G105 PolarHBondContact O-N 3.18Å; A101-I106 VanDerWaalsContact CA-O 3.24Å; A101-I106 WeakPolarHBondContact CA-O 3.01Å; A101-I106 WeakPolarHBondContact CB-O 3.11Å
102L96.4Very high94.9Very high115 Ų11569.1 Ų69.160%0.60237%0.367SS*.Hα-helixtrans-68.4-38.9176.2-69.1171.3000112.4Q98 P99 I100 L112Q98-L102 HydrophobicContact CG-CD1 4.35Å; Q98-L102 WeakPolarHBondContact O-CG 3.38Å; Q98-L102 PolarHBondContact O-N 3.37Å; P99-L102 PolarHBondContact O-N 2.64Å; I100-L102 VanDerWaalsContact C-N 3.31Å; I100-L102 PolarHBondContact O-N 2.94Å; L102-L112 HydrophobicContact CD2-CD1 4.14Å
103M97.2Very high94.7Very high163 Ų16366.7 Ų66.780%0.80337%0.366SS*.Hα-helixtrans-72.9-36.2180-68.917770.300112.9P99 I100P99-M103 VanDerWaalsContact O-CG 3.3Å; P99-M103 WeakPolarHBondContact O-CG 3.17Å; P99-M103 PolarHBondContact O-N 3.11Å; I100-M103 PolarHBondContact O-N 2.83Å
104T96.4Very high94.5Very high77 Ų7766.6 Ų66.647%0.47237%0.371SS..Hα-helixtrans-98.4-16.6-174.360.20000113.6I100 I106I100-T104 HydrophobicContact CG2-CG2 4.09Å; I100-T104 WeakPolarHBondContact O-CB 3.46Å; I100-T104 WeakPolarHBondContact O-CG2 3.47Å; I100-T104 PolarHBondContact O-N 3.22Å; I100-T104 PolarHBondContact O-OG1 3.35Å; T104-I106 PolarHBondContact O-N 3.47Å; T104-I106 PolarHBondContact OG1-N 2.97Å
105G94.6Very high94.1Very high55 Ų5562.5 Ų62.557%0.56736%0.358SS*.  trans71.94.7-170.400000114A101 L112A101-G105 VanDerWaalsContact O-CA 3.27Å; A101-G105 WeakPolarHBondContact O-CA 3.15Å; A101-G105 PolarHBondContact O-N 3.18Å; G105-L112 WeakPolarHBondContact O-CD2 3.37Å
106I93.6Very high93.7Very high99 Ų9965.5 Ų65.551%0.50837%0.372SS..  trans-87127.1-179.1-57.8172.7000109.3A101 T104 L108A101-I106 VanDerWaalsContact CA-O 3.24Å; A101-I106 WeakPolarHBondContact CA-O 3.01Å; A101-I106 WeakPolarHBondContact CB-O 3.11Å; T104-I106 PolarHBondContact O-N 3.47Å; T104-I106 PolarHBondContact OG1-N 2.97Å; I106-L108 VanDerWaalsContact C-N 3.25Å; I106-L108 HydrophobicContact CB-CD2 4.46Å; I106-L108 HydrophobicContact CB-CG 4.34Å; I106-L108 HydrophobicContact CG2-CD2 3.67Å; I106-L108 HydrophobicContact CG2-CG 3.97Å; I106-L108 PolarHBondContact O-N 3.23Å
107N92.3Very high93.3Very high41 Ų4165.8 Ų65.822%0.21938%0.377CS..  trans-77.967.5-178.7-169.531.9000112.9N109 N110 I111 L112 C113N107-N109 VanDerWaalsContact C-N 3.3Å; N107-N109 PolarHBondContact O-N 3.25Å; N107-N110 WeakPolarHBondContact ND2-CA 3.48Å; N107-N110 PolarHBondContact ND2-OD1 2.93Å; N107-N110 WeakPolarHBondContact OD1-CA 3.42Å; N107-N110 PolarHBondContact OD1-N 2.93Å; N107-I111 PolarHBondContact OD1-N 3.16Å; N107-L112 HydrophobicContact CB-CB 4.32Å; N107-L112 WeakPolarHBondContact OD1-CB 3.47Å; N107-L112 PolarHBondContact OD1-N 3.26Å; N107-L112 VanDerWaalsContact OD1-N 3.14Å; N107-C113 VanDerWaalsContact CG-SG 3.51Å; N107-C113 PolarHBondContact ND2-O 3.49Å; N107-C113 PolarHBondContact ND2-SG 3.07Å; N107-C113 PolarHBondContact OD1-N 2.88Å; N107-C113 PolarHBondContact OD1-O 3.35Å
108L90.5Very high92.9Very high83 Ų8366.1 Ų66.144%0.43538%0.379SS..THydrogen-bonded Turntrans-67.6-26.3-173.1-66.3174.1000114.5I100 I106I100-L108 HydrophobicContact CB-CD1 4.11Å; I100-L108 HydrophobicContact CG2-CD1 3.6Å; I106-L108 VanDerWaalsContact C-N 3.25Å; I106-L108 HydrophobicContact CB-CD2 4.46Å; I106-L108 HydrophobicContact CB-CG 4.34Å; I106-L108 HydrophobicContact CG2-CD2 3.67Å; I106-L108 HydrophobicContact CG2-CG 3.97Å; I106-L108 PolarHBondContact O-N 3.23Å
109N90.8Very high92.6Very high19 Ų1968.6 Ų68.610%0.10240%0.398CS..THydrogen-bonded Turntrans-12510.5-172.664.4-5.4000113.4L97 Q98 N107 I111L97-N109 HydrophobicContact CB-CB 4.13Å; L97-N109 HydrophobicContact CD1-CB 4.12Å; Q98-N109 PolarHBondContact OE1-ND2 3.46Å; N107-N109 VanDerWaalsContact C-N 3.3Å; N107-N109 PolarHBondContact O-N 3.25Å; N109-I111 PolarHBondContact O-N 2.89Å; N109-I111 VanDerWaalsContact O-N 3.11Å; N109-I111 WeakPolarHBondContact OD1-CB 3.33Å; N109-I111 PolarHBondContact OD1-N 3.46Å; N109-I111 VanDerWaalsContact OD1-N 3.15Å
110N91.4Very high92.3Very high67 Ų6769.6 Ų69.636%0.35840%0.397SS..SBendtrans57.820.7-177.1-55.6-46.3000115.1N107 C113 A115N107-N110 WeakPolarHBondContact ND2-CA 3.48Å; N107-N110 PolarHBondContact ND2-OD1 2.93Å; N107-N110 WeakPolarHBondContact OD1-CA 3.42Å; N107-N110 PolarHBondContact OD1-N 2.93Å; N110-C113 CarbonylContact C-O 3.2Å; N110-C113 WeakPolarHBondContact CA-O 3.32Å; N110-A115 HydrophobicContact CB-CB 4.26Å
111I93.1Very high91.8Very high30 Ų3071.8 Ų71.815%0.15442%0.415CS..SBendtrans-100.1-25.1174.9-62.1-59.5000111.7N107 N109 Y125 R126 A129N107-I111 PolarHBondContact OD1-N 3.16Å; N109-I111 PolarHBondContact O-N 2.89Å; N109-I111 VanDerWaalsContact O-N 3.11Å; N109-I111 WeakPolarHBondContact OD1-CB 3.33Å; N109-I111 PolarHBondContact OD1-N 3.46Å; N109-I111 VanDerWaalsContact OD1-N 3.15Å; I111-Y125 PolarHBondContact O-OH 3.36Å; I111-R126 HydrophobicContact CG2-CG 4.29Å; I111-R126 PolarHBondContact O-NE 3.47Å; I111-A129 HydrophobicContact CD1-CB 3.95Å
112L91.1Very high91.6Very high52 Ų5273.7 Ų73.727%0.27244%0.436SS..SBendtrans-64.9-47.1175.1-170.962.5000110L102 G105 N107 Y125 R126L102-L112 HydrophobicContact CD2-CD1 4.14Å; G105-L112 WeakPolarHBondContact O-CD2 3.37Å; N107-L112 HydrophobicContact CB-CB 4.32Å; N107-L112 WeakPolarHBondContact OD1-CB 3.47Å; N107-L112 PolarHBondContact OD1-N 3.26Å; N107-L112 VanDerWaalsContact OD1-N 3.14Å; L112-Y125 PolarHBondContact O-OH 3.33Å; L112-R126 PolarHBondContact O-NH2 3.44Å
113C91.5Very high91.4Very high63 Ų6374.4 Ų74.443%0.42645%0.447SS..SBendtrans-139.5152.9168.255.70000110.2N107 N110 Y125N107-C113 VanDerWaalsContact CG-SG 3.51Å; N107-C113 PolarHBondContact ND2-O 3.49Å; N107-C113 PolarHBondContact ND2-SG 3.07Å; N107-C113 PolarHBondContact OD1-N 2.88Å; N107-C113 PolarHBondContact OD1-O 3.35Å; N110-C113 CarbonylContact C-O 3.2Å; N110-C113 WeakPolarHBondContact CA-O 3.32Å; C113-Y125 VanDerWaalsContact CA-OH 3.31Å; C113-Y125 WeakPolarHBondContact CA-OH 3.39Å; C113-Y125 PolarHBondContact N-OH 2.86Å
114P91.7Very high91.3Very high64 Ų6471.4 Ų71.442%0.41643%0.434SS..  trans-64.3147.218026.4-33.1000110.8D118 Y125P114-D118 HydrophobicContact CB-CB 4.3Å; P114-Y125 HydrophobicContact CB-CD2 3.67Å; P114-Y125 HydrophobicContact CB-CE2 3.73Å; P114-Y125 HydrophobicContact CB-CG 4.21Å; P114-Y125 HydrophobicContact CG-CD2 4.4Å; P114-Y125 HydrophobicContact CG-CE2 4.31Å
115A88.6Confident91.2Very high24 Ų2468.9 Ų68.920%0.19842%0.416CS..  trans-64.6148.1165.900000109.5N110 S117 D118N110-A115 HydrophobicContact CB-CB 4.26Å; A115-S117 PolarHBondContact O-N 2.75Å; A115-D118 HydrophobicContact CB-CB 4.48Å; A115-D118 VanDerWaalsContact O-CB 3.23Å; A115-D118 WeakPolarHBondContact O-CB 3.24Å; A115-D118 PolarHBondContact O-N 3.37Å
116I87.7Confident91.3Very high183 Ų18372.3 Ų72.394%0.93841%0.412SS*.THydrogen-bonded Turntrans-59.7-30.6175.8-63.5165.5000110.9D118I116-D118 VanDerWaalsContact C-N 3.32Å
117S87.4Confident91.4Very high66 Ų6673.7 Ų73.746%0.46242%0.42SS..THydrogen-bonded Turntrans-85.36.2176.652.10000114.3A115 P119A115-S117 PolarHBondContact O-N 2.75Å; S117-P119 WeakPolarHBondContact O-CD 3.31Å
118D89.4Confident91.5Very high30 Ų3077.5 Ų77.516%0.1643%0.431CS..  trans-70.6124.7179-163.8-47.9000110.6P114 A115 I116 F120 H132P114-D118 HydrophobicContact CB-CB 4.3Å; A115-D118 HydrophobicContact CB-CB 4.48Å; A115-D118 VanDerWaalsContact O-CB 3.23Å; A115-D118 WeakPolarHBondContact O-CB 3.24Å; A115-D118 PolarHBondContact O-N 3.37Å; I116-D118 VanDerWaalsContact C-N 3.32Å; D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 3.02Å; D118-F120 PolarHBondContact OD1-N 3.19Å; D118-H132 IonicContact OD1-CE1 3.26Å
119P89.2Confident91.7Very high82 Ų8273.9 Ų73.953%0.53241%0.413SS..SBendtrans-74.5-14.2-177.428.1-33.8000114.4S117 P121S117-P119 WeakPolarHBondContact O-CD 3.31Å; P119-P121 WeakPolarHBondContact O-CD 3.36Å
120F91.6Very high91.8Very high76 Ų7675.6 Ų75.633%0.33342%0.424SS..  trans-114.982.5-173-59.8-71.4000112.2D118 Y125 W128 H132D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 3.02Å; D118-F120 PolarHBondContact OD1-N 3.19Å; F120-Y125 WeakPolarHBondContact O-CB 3.43Å; F120-W128 HydrophobicContact CB-CB 3.63Å; F120-W128 HydrophobicContact CB-CG 3.99Å; F120-W128 HydrophobicContact CD1-CD2 4.39Å; F120-W128 HydrophobicContact CD1-CE3 4.44Å; F120-W128 HydrophobicContact CD1-CG 4.48Å; F120-W128 HydrophobicContact CD2-CB 4.03Å; F120-W128 HydrophobicContact CE1-CE3 4.46Å; F120-W128 HydrophobicContact CG-CB 3.86Å; F120-W128 HydrophobicContact CG-CD2 4.44Å; F120-W128 HydrophobicContact CG-CG 4.14Å; F120-H132 HydrophobicContact CD2-CB 4.36Å; F120-H132 AromaticContact CD2-ND1 3.62Å; F120-H132 HydrophobicContact CE2-CB 3.71Å; F120-H132 AromaticContact CE2-CG 3.78Å; F120-H132 AromaticContact CE2-ND1 3.82Å
121P87Confident92.1Very high118 Ų11878.4 Ų78.477%0.76643%0.434SS*.  trans-71158.2175.931.3-35.8000111.8P119P119-P121 WeakPolarHBondContact O-CD 3.36Å
122G91.4Very high92.1Very high41 Ų4178 Ų7842%0.42343%0.431SS..SBendtrans122.8-178.116900000114.7N124 Y125G122-N124 PolarHBondContact O-N 3.15Å; G122-Y125 WeakPolarHBondContact O-CB 3.26Å; G122-Y125 PolarHBondContact O-N 3.2Å; G122-Y125 VanDerWaalsContact O-N 3.15Å
123P93.3Very high92.3Very high130 Ų13078.4 Ų78.484%0.84443%0.431SS*.THydrogen-bonded Turntrans-62.8-26.9-173.324.2-33.8000113.3
124N94.1Very high92.5Very high99 Ų9976.8 Ų76.853%0.52942%0.421SS..THydrogen-bonded Turntrans-97.814.2-178.5-64.9-28.5000113.4G122 R126 L127 W128G122-N124 PolarHBondContact O-N 3.15Å; N124-R126 PolarHBondContact O-N 2.82Å; N124-R126 VanDerWaalsContact O-N 3.1Å; N124-L127 PolarHBondContact O-N 3.02Å; N124-W128 PolarHBondContact O-N 2.83Å
125Y95.4Very high92.7Very high24 Ų2476.8 Ų76.89%0.09442%0.419CS..Hα-helixtrans-55.2-34.8-173.986.3-86.7000112.6I111 L112 C113 P114 F120 G122 L127 W128 A129I111-Y125 PolarHBondContact O-OH 3.36Å; L112-Y125 PolarHBondContact O-OH 3.33Å; C113-Y125 VanDerWaalsContact CA-OH 3.31Å; C113-Y125 WeakPolarHBondContact CA-OH 3.39Å; C113-Y125 PolarHBondContact N-OH 2.86Å; P114-Y125 HydrophobicContact CB-CD2 3.67Å; P114-Y125 HydrophobicContact CB-CE2 3.73Å; P114-Y125 HydrophobicContact CB-CG 4.21Å; P114-Y125 HydrophobicContact CG-CD2 4.4Å; P114-Y125 HydrophobicContact CG-CE2 4.31Å; F120-Y125 WeakPolarHBondContact O-CB 3.43Å; G122-Y125 WeakPolarHBondContact O-CB 3.26Å; G122-Y125 PolarHBondContact O-N 3.2Å; G122-Y125 VanDerWaalsContact O-N 3.15Å; Y125-L127 VanDerWaalsContact C-N 3.33Å; Y125-L127 PolarHBondContact O-N 3.49Å; Y125-W128 CarbonylContact O-C 3.52Å; Y125-W128 PolarHBondContact O-N 3.23Å; Y125-A129 VanDerWaalsContact O-CB 3.3Å; Y125-A129 WeakPolarHBondContact O-CB 3.43Å; Y125-A129 PolarHBondContact O-N 3.28Å
126R95.4Very high93Very high128 Ų12878.6 Ų78.648%0.48343%0.425SS..Hα-helixtrans-61.6-40.2179.9-63.2179.7179.1169.8-0.2112.6I111 L112 N124 A129 V130I111-R126 HydrophobicContact CG2-CG 4.29Å; I111-R126 PolarHBondContact O-NE 3.47Å; L112-R126 PolarHBondContact O-NH2 3.44Å; N124-R126 PolarHBondContact O-N 2.82Å; N124-R126 VanDerWaalsContact O-N 3.1Å; R126-A129 PolarHBondContact O-N 3.36Å; R126-V130 WeakPolarHBondContact O-CG2 3.24Å; R126-V130 PolarHBondContact O-N 3.43Å
127L95.3Very high93.3Very high128 Ų12870.4 Ų70.467%0.6738%0.383SS*.Hα-helixtrans-67-44.1176.4-67.9173.6000110.3N124 Y125 A129 V130 F131N124-L127 PolarHBondContact O-N 3.02Å; Y125-L127 VanDerWaalsContact C-N 3.33Å; Y125-L127 PolarHBondContact O-N 3.49Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.98Å; L127-V130 PolarHBondContact O-N 3.44Å; L127-F131 WeakPolarHBondContact O-CB 3.3Å; L127-F131 PolarHBondContact O-N 3.01Å
128W95.4Very high93.8Very high120 Ų12069.8 Ų69.846%0.45537%0.374SS..Hα-helixtrans-63-38.2174.8-74.2113000112.4F120 N124 Y125 F131 H132F120-W128 HydrophobicContact CB-CB 3.63Å; F120-W128 HydrophobicContact CB-CG 3.99Å; F120-W128 HydrophobicContact CD1-CD2 4.39Å; F120-W128 HydrophobicContact CD1-CE3 4.44Å; F120-W128 HydrophobicContact CD1-CG 4.48Å; F120-W128 HydrophobicContact CD2-CB 4.03Å; F120-W128 HydrophobicContact CE1-CE3 4.46Å; F120-W128 HydrophobicContact CG-CB 3.86Å; F120-W128 HydrophobicContact CG-CD2 4.44Å; F120-W128 HydrophobicContact CG-CG 4.14Å; N124-W128 PolarHBondContact O-N 2.83Å; Y125-W128 CarbonylContact O-C 3.52Å; Y125-W128 PolarHBondContact O-N 3.23Å; W128-F131 HydrophobicContact CE3-CD1 4.15Å; W128-F131 HydrophobicContact CZ3-CD1 4.12Å; W128-F131 HydrophobicContact CZ3-CE1 4.41Å; W128-F131 PolarHBondContact O-N 2.76Å; W128-H132 WeakPolarHBondContact O-CB 3.37Å; W128-H132 PolarHBondContact O-N 3.38Å; W128-H132 PolarHBondContact O-ND1 3.38Å
129A93.9Very high94.1Very high7 Ų772.1 Ų72.16%0.05839%0.39CS..Hα-helixtrans-59-53.817600000110.7I111 Y125 R126 L127 F131 H132 Q133I111-A129 HydrophobicContact CD1-CB 3.95Å; Y125-A129 VanDerWaalsContact O-CB 3.3Å; Y125-A129 WeakPolarHBondContact O-CB 3.43Å; Y125-A129 PolarHBondContact O-N 3.28Å; R126-A129 PolarHBondContact O-N 3.36Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.98Å; A129-F131 VanDerWaalsContact C-N 3.32Å; A129-F131 PolarHBondContact O-N 2.91Å; A129-H132 WeakPolarHBondContact CA-ND1 3.38Å; A129-Q133 WeakPolarHBondContact O-CB 2.91Å; A129-Q133 WeakPolarHBondContact O-CG 3.13Å; A129-Q133 PolarHBondContact O-N 3.47Å
130V94.6Very high94.3Very high55 Ų5570.5 Ų70.533%0.33338%0.376SS..Hα-helixtrans-59-44.9177.21750000111F94 R126 L127 S134F94-V130 HydrophobicContact CE2-CG2 4.39Å; F94-V130 HydrophobicContact CZ-CG2 3.96Å; R126-V130 WeakPolarHBondContact O-CG2 3.24Å; R126-V130 PolarHBondContact O-N 3.43Å; L127-V130 PolarHBondContact O-N 3.44Å; V130-S134 VanDerWaalsContact O-CB 3.29Å; V130-S134 WeakPolarHBondContact O-CB 3.36Å; V130-S134 PolarHBondContact O-N 3.1Å; V130-S134 VanDerWaalsContact O-N 3.1Å; V130-S134 PolarHBondContact O-OG 3.41Å
131F95.8Very high94.5Very high127 Ų12767.1 Ų67.156%0.55736%0.363SS*.Hα-helixtrans-64.5-57.4-178.6178.1-101.9000112.4L127 W128 A129 Q133 S134 V135L127-F131 WeakPolarHBondContact O-CB 3.3Å; L127-F131 PolarHBondContact O-N 3.01Å; W128-F131 HydrophobicContact CE3-CD1 4.15Å; W128-F131 HydrophobicContact CZ3-CD1 4.12Å; W128-F131 HydrophobicContact CZ3-CE1 4.41Å; W128-F131 PolarHBondContact O-N 2.76Å; A129-F131 VanDerWaalsContact C-N 3.32Å; A129-F131 PolarHBondContact O-N 2.91Å; F131-Q133 PolarHBondContact O-N 2.88Å; F131-S134 WeakPolarHBondContact O-CB 3.46Å; F131-S134 PolarHBondContact O-N 3.38Å; F131-V135 HydrophobicContact CE1-CG2 4.23Å; F131-V135 HydrophobicContact CE2-CG2 4.3Å; F131-V135 HydrophobicContact CZ-CG2 4.06Å; F131-V135 WeakPolarHBondContact O-CG2 3.34Å; F131-V135 PolarHBondContact O-N 3.36Å
132H94.2Very high94.9Very high22 Ų2262.3 Ų62.310%0.10233%0.33CS..Hα-helixtrans-69.1-35.6-173.883.6-97.7000111.8D118 F120 W128 A129 S134 V135 I136D118-H132 IonicContact OD1-CE1 3.26Å; F120-H132 HydrophobicContact CD2-CB 4.36Å; F120-H132 AromaticContact CD2-ND1 3.62Å; F120-H132 HydrophobicContact CE2-CB 3.71Å; F120-H132 AromaticContact CE2-CG 3.78Å; F120-H132 AromaticContact CE2-ND1 3.82Å; W128-H132 WeakPolarHBondContact O-CB 3.37Å; W128-H132 PolarHBondContact O-N 3.38Å; W128-H132 PolarHBondContact O-ND1 3.38Å; A129-H132 WeakPolarHBondContact CA-ND1 3.38Å; H132-S134 VanDerWaalsContact C-N 3.34Å; H132-V135 PolarHBondContact O-N 3.26Å; H132-I136 WeakPolarHBondContact O-CB 3.44Å; H132-I136 VanDerWaalsContact O-CG1 3.27Å; H132-I136 WeakPolarHBondContact O-CG1 3.2Å; H132-I136 PolarHBondContact O-N 3.32Å
133Q94.3Very high95Very high60 Ų6065 Ų6528%0.2833%0.333SS..Hα-helixtrans-65.2-39.5174.9-67.8-65.9-29.600111.3A129 F131 V135 I136 I137A129-Q133 WeakPolarHBondContact O-CB 2.91Å; A129-Q133 WeakPolarHBondContact O-CG 3.13Å; A129-Q133 PolarHBondContact O-N 3.47Å; F131-Q133 PolarHBondContact O-N 2.88Å; Q133-V135 PolarHBondContact O-N 2.78Å; Q133-I136 PolarHBondContact O-N 3.39Å; Q133-I137 WeakPolarHBondContact O-CD1 3.43Å; Q133-I137 VanDerWaalsContact O-CG1 3.23Å; Q133-I137 WeakPolarHBondContact O-CG1 3.22Å; Q133-I137 PolarHBondContact O-N 3.17Å
134S95.8Very high95Very high28 Ų2860.1 Ų60.120%0.19630%0.3CS..Hα-helixtrans-61.4-45174.2-60.40000111.6V130 F131 H132 I137 L138V130-S134 VanDerWaalsContact O-CB 3.29Å; V130-S134 WeakPolarHBondContact O-CB 3.36Å; V130-S134 PolarHBondContact O-N 3.1Å; V130-S134 VanDerWaalsContact O-N 3.1Å; V130-S134 PolarHBondContact O-OG 3.41Å; F131-S134 WeakPolarHBondContact O-CB 3.46Å; F131-S134 PolarHBondContact O-N 3.38Å; H132-S134 VanDerWaalsContact C-N 3.34Å; S134-I137 PolarHBondContact O-N 3.26Å; S134-L138 WeakPolarHBondContact O-CG 3.49Å; S134-L138 PolarHBondContact O-N 3.07Å; S134-L138 VanDerWaalsContact O-N 3.11Å
135V96.3Very high94.9Very high64 Ų6455.5 Ų55.539%0.38828%0.276SS..Hα-helixtrans-61.6-45.9176.1173.10000111.1F131 H132 Q133 I137 L138 V139F131-V135 HydrophobicContact CE1-CG2 4.23Å; F131-V135 HydrophobicContact CE2-CG2 4.3Å; F131-V135 HydrophobicContact CZ-CG2 4.06Å; F131-V135 WeakPolarHBondContact O-CG2 3.34Å; F131-V135 PolarHBondContact O-N 3.36Å; H132-V135 PolarHBondContact O-N 3.26Å; Q133-V135 PolarHBondContact O-N 2.78Å; V135-I137 VanDerWaalsContact C-N 3.35Å; V135-I137 PolarHBondContact O-N 2.92Å; V135-L138 PolarHBondContact O-N 2.86Å; V135-V139 HydrophobicContact CG1-CG2 4.28Å; V135-V139 WeakPolarHBondContact O-CB 3.25Å; V135-V139 WeakPolarHBondContact O-CG2 3.12Å; V135-V139 PolarHBondContact O-N 3.05Å
136I94.6Very high94.8Very high63 Ų6357.7 Ų57.732%0.32329%0.288SS..Hα-helixtrans-59.1-46.1177.6-73171.4000110.6H132 Q133 L138 V139 L140H132-I136 WeakPolarHBondContact O-CB 3.44Å; H132-I136 VanDerWaalsContact O-CG1 3.27Å; H132-I136 WeakPolarHBondContact O-CG1 3.2Å; H132-I136 PolarHBondContact O-N 3.32Å; Q133-I136 PolarHBondContact O-N 3.39Å; I136-L138 VanDerWaalsContact C-N 3.35Å; I136-L138 PolarHBondContact O-N 3.4Å; I136-V139 PolarHBondContact O-N 3.26Å; I136-L140 HydrophobicContact CG2-CD2 4.4Å; I136-L140 WeakPolarHBondContact O-CB 3.26Å; I136-L140 PolarHBondContact O-N 3.15Å
137I95.3Very high94.5Very high11 Ų1157 Ų576%0.05629%0.289CS..Hα-helixtrans-59.1-46.7179.3-70.2163.1000110.9N27 L86 Q133 S134 V135 G141N27-I137 HydrophobicContact CB-CG1 3.96Å; L86-I137 HydrophobicContact CB-CG2 4.21Å; L86-I137 HydrophobicContact CD1-CB 4.18Å; L86-I137 HydrophobicContact CD1-CD1 3.72Å; L86-I137 HydrophobicContact CD1-CG2 4.08Å; Q133-I137 WeakPolarHBondContact O-CD1 3.43Å; Q133-I137 VanDerWaalsContact O-CG1 3.23Å; Q133-I137 WeakPolarHBondContact O-CG1 3.22Å; Q133-I137 PolarHBondContact O-N 3.17Å; S134-I137 PolarHBondContact O-N 3.26Å; V135-I137 VanDerWaalsContact C-N 3.35Å; V135-I137 PolarHBondContact O-N 2.92Å; I137-G141 PolarHBondContact O-N 3.06Å
138L96.6Very high94.2Very high52 Ų5251 Ų5127%0.27226%0.258SS..Hα-helixtrans-61.5-48.2179.2-67.6173.6000111.9V82 I83 L86 S134 V135 I136 K142V82-L138 HydrophobicContact CG1-CD2 3.92Å; V82-L138 HydrophobicContact CG2-CD2 4.08Å; I83-L138 HydrophobicContact CG1-CD2 3.98Å; L86-L138 HydrophobicContact CD2-CD1 4.32Å; L86-L138 HydrophobicContact CD2-CD2 3.97Å; L86-L138 HydrophobicContact CD2-CG 4.04Å; S134-L138 WeakPolarHBondContact O-CG 3.49Å; S134-L138 PolarHBondContact O-N 3.07Å; S134-L138 VanDerWaalsContact O-N 3.11Å; V135-L138 PolarHBondContact O-N 2.86Å; I136-L138 VanDerWaalsContact C-N 3.35Å; I136-L138 PolarHBondContact O-N 3.4Å; L138-K142 PolarHBondContact O-N 3.19Å
139V96.1Very high93.9Very high80 Ų8047.3 Ų47.349%0.48525%0.246SC..Hα-helixtrans-67.3-48.3-178.4171.60000110.8V135 I136 K142 I143V135-V139 HydrophobicContact CG1-CG2 4.28Å; V135-V139 WeakPolarHBondContact O-CB 3.25Å; V135-V139 WeakPolarHBondContact O-CG2 3.12Å; V135-V139 PolarHBondContact O-N 3.05Å; I136-V139 PolarHBondContact O-N 3.26Å; V139-K142 PolarHBondContact O-N 3.38Å; V139-I143 HydrophobicContact CG1-CD1 3.7Å; V139-I143 HydrophobicContact CG1-CG1 4.37Å; V139-I143 WeakPolarHBondContact O-CG1 3.34Å; V139-I143 PolarHBondContact O-N 2.71Å
140L94.4Very high93.6Very high47 Ų4754.7 Ų54.725%0.24627%0.273CS..Hα-helixtrans-66.4-40.9-176.7-169.961.6000111.7N27 L30 I136 K142 I143 L144N27-L140 HydrophobicContact CB-CD2 4.14Å; L30-L140 HydrophobicContact CB-CD2 4.2Å; L30-L140 HydrophobicContact CD1-CD1 3.93Å; L30-L140 HydrophobicContact CD1-CD2 3.55Å; L30-L140 HydrophobicContact CD1-CG 3.81Å; I136-L140 HydrophobicContact CG2-CD2 4.4Å; I136-L140 WeakPolarHBondContact O-CB 3.26Å; I136-L140 PolarHBondContact O-N 3.15Å; L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 PolarHBondContact O-N 3.1Å; L140-I143 PolarHBondContact O-N 2.94Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 PolarHBondContact O-N 3.37Å
141G94.4Very high92.9Very high5 Ų555 Ų555%0.05227%0.273CS..Hα-helixtrans-57-44173.900000111.6I137 L144 T145I137-G141 PolarHBondContact O-N 3.06Å; G141-L144 PolarHBondContact O-N 3.33Å; G141-T145 PolarHBondContact O-N 3.29Å; G141-T145 PolarHBondContact O-OG1 3.16Å
142K95.8Very high92Very high17 Ų1751.5 Ų51.57%0.07426%0.26CS..Hα-helixtrans-72.8-36.6177.6-70.9-62.6-176179.10114.6E74 I76 D78 F79 L138 V139 L140 L144 T145 L146E74-K142 IonicContact OE1-NZ 3.82Å; I76-K142 HydrophobicContact CD1-CD 4.33Å; I76-K142 WeakPolarHBondContact O-CE 3.29Å; I76-K142 PolarHBondContact O-NZ 3.26Å; D78-K142 VanDerWaalsContact C-NZ 3.26Å; D78-K142 PolarHBondContact O-NZ 3.37Å; F79-K142 HydrophobicContact CD1-CD 4.37Å; F79-K142 HydrophobicContact CD1-CG 4.15Å; F79-K142 HydrophobicContact CE1-CD 4.09Å; F79-K142 HydrophobicContact CE1-CG 3.61Å; F79-K142 HydrophobicContact CZ-CD 4.28Å; F79-K142 HydrophobicContact CZ-CG 4.08Å; L138-K142 PolarHBondContact O-N 3.19Å; V139-K142 PolarHBondContact O-N 3.38Å; L140-K142 VanDerWaalsContact C-N 3.29Å; L140-K142 PolarHBondContact O-N 3.1Å; K142-L144 VanDerWaalsContact C-N 3.28Å; K142-L144 PolarHBondContact O-N 3.4Å; K142-T145 PolarHBondContact O-N 2.94Å; K142-L146 WeakPolarHBondContact O-CB 3.39Å; K142-L146 PolarHBondContact O-N 3.21Å
143I94.3Very high90.7Very high97 Ų9755.9 Ų55.950%0.49729%0.288SS..Hα-helixtrans-60.9-42.7171.3-70.7170.6000109.8V139 L140 L146 F147V139-I143 HydrophobicContact CG1-CD1 3.7Å; V139-I143 HydrophobicContact CG1-CG1 4.37Å; V139-I143 WeakPolarHBondContact O-CG1 3.34Å; V139-I143 PolarHBondContact O-N 2.71Å; L140-I143 PolarHBondContact O-N 2.94Å; I143-L146 PolarHBondContact O-N 2.92Å; I143-F147 VanDerWaalsContact O-CB 3.29Å; I143-F147 WeakPolarHBondContact O-CB 3.24Å; I143-F147 PolarHBondContact O-N 3.12Å
144L91.8Very high89.2Confident29 Ų2962.4 Ų62.415%0.15231%0.31CS..Hα-helixtrans-63.6-48.9177.2-177.362.1000111.4L23 M26 L140 G141 K142 L146 F147 L148L23-L144 WeakPolarHBondContact O-CD2 3.31Å; M26-L144 HydrophobicContact CB-CD2 4.08Å; L140-L144 WeakPolarHBondContact O-CB 3.3Å; L140-L144 PolarHBondContact O-N 3.37Å; G141-L144 PolarHBondContact O-N 3.33Å; K142-L144 VanDerWaalsContact C-N 3.28Å; K142-L144 PolarHBondContact O-N 3.4Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L144-F147 PolarHBondContact O-N 3.35Å; L144-L148 HydrophobicContact CD1-CD1 3.91Å; L144-L148 HydrophobicContact CD1-CG 4.08Å; L144-L148 HydrophobicContact CG-CD1 3.8Å; L144-L148 HydrophobicContact CG-CG 4.37Å; L144-L148 WeakPolarHBondContact O-CB 3.18Å; L144-L148 VanDerWaalsContact O-CG 3.23Å; L144-L148 WeakPolarHBondContact O-CG 3.2Å; L144-L148 PolarHBondContact O-N 2.95Å
145T93.1Very high87.1Confident2 Ų269.6 Ų69.61%0.01234%0.337CS..Hα-helixtrans-55.7-46.9174.4-63.20000111.3H24 V73 E74 I76 G141 K142 F147 L148 L149H24-T145 PolarHBondContact CE1-OG1 3.46Å; V73-T145 HydrophobicContact CB-CG2 4.22Å; V73-T145 HydrophobicContact CG2-CG2 4.49Å; E74-T145 WeakPolarHBondContact O-CG2 3.35Å; E74-T145 WeakPolarHBondContact OE1-CG2 3.39Å; E74-T145 PolarHBondContact OE1-OG1 3.42Å; I76-T145 HydrophobicContact CD1-CG2 4.36Å; G141-T145 PolarHBondContact O-N 3.29Å; G141-T145 PolarHBondContact O-OG1 3.16Å; K142-T145 PolarHBondContact O-N 2.94Å; T145-F147 PolarHBondContact O-N 3.47Å; T145-L148 PolarHBondContact O-N 3.14Å; T145-L149 HydrophobicContact CG2-CD1 3.91Å; T145-L149 HydrophobicContact CG2-CG 4.37Å; T145-L149 WeakPolarHBondContact O-CB 3.49Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.23Å; T145-L149 PolarHBondContact O-N 3.36Å
146L92.8Very high85Confident70 Ų7067.7 Ų67.737%0.36633%0.326SS..Hα-helixtrans-61.2-45.7177.8179.963.9000112.2I76 K142 I143 L144 L148 L149 R150I76-L146 HydrophobicContact CD1-CB 3.85Å; I76-L146 HydrophobicContact CD1-CD1 4.43Å; K142-L146 WeakPolarHBondContact O-CB 3.39Å; K142-L146 PolarHBondContact O-N 3.21Å; I143-L146 PolarHBondContact O-N 2.92Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 3.43Å; L146-L148 VanDerWaalsContact C-N 3.35Å; L146-L149 PolarHBondContact O-N 2.91Å; L146-R150 WeakPolarHBondContact O-CB 2.95Å; L146-R150 WeakPolarHBondContact O-CG 3.43Å; L146-R150 PolarHBondContact O-N 3.1Å
147F89.8Confident82.6Confident113 Ų11370 Ų7050%0.49635%0.345SS..Hα-helixtrans-60.9-46.4179176.8-106.7000111I143 L144 T145 R150 L151I143-F147 VanDerWaalsContact O-CB 3.29Å; I143-F147 WeakPolarHBondContact O-CB 3.24Å; I143-F147 PolarHBondContact O-N 3.12Å; L144-F147 PolarHBondContact O-N 3.35Å; T145-F147 PolarHBondContact O-N 3.47Å; F147-R150 WeakPolarHBondContact O-CB 3.46Å; F147-R150 PolarHBondContact O-N 2.93Å; F147-L151 HydrophobicContact CD1-CD1 3.92Å; F147-L151 HydrophobicContact CD1-CG 4.37Å; F147-L151 HydrophobicContact CE1-CD1 3.3Å; F147-L151 HydrophobicContact CE1-CG 4.01Å; F147-L151 HydrophobicContact CE2-CD1 4.37Å; F147-L151 HydrophobicContact CE2-CD2 4.38Å; F147-L151 HydrophobicContact CE2-CG 4.29Å; F147-L151 HydrophobicContact CZ-CD1 3.57Å; F147-L151 HydrophobicContact CZ-CD2 4.17Å; F147-L151 HydrophobicContact CZ-CG 3.96Å; F147-L151 WeakPolarHBondContact O-CG 3.19Å; F147-L151 PolarHBondContact O-N 3.4Å
148L88.4Confident80.8Confident2 Ų278.3 Ų78.31%0.0138%0.376CS..Hα-helixtrans-66.7-41.6179.3-69.5173.2000112.6L23 A62 L65 V73 L144 T145 L146 R150 L151 N152L23-L148 HydrophobicContact CD1-CD1 4.09Å; L23-L148 HydrophobicContact CD2-CD1 3.96Å; A62-L148 HydrophobicContact CB-CD2 3.79Å; L65-L148 HydrophobicContact CD1-CB 3.59Å; L65-L148 HydrophobicContact CD1-CD1 3.8Å; L65-L148 HydrophobicContact CD1-CD2 4.15Å; L65-L148 HydrophobicContact CD1-CG 4.02Å; L65-L148 HydrophobicContact CD2-CB 4.12Å; L65-L148 WeakPolarHBondContact CD2-O 3.48Å; L65-L148 HydrophobicContact CG-CB 4.47Å; V73-L148 HydrophobicContact CG1-CD1 4.26Å; L144-L148 HydrophobicContact CD1-CD1 3.91Å; L144-L148 HydrophobicContact CD1-CG 4.08Å; L144-L148 HydrophobicContact CG-CD1 3.8Å; L144-L148 HydrophobicContact CG-CG 4.37Å; L144-L148 WeakPolarHBondContact O-CB 3.18Å; L144-L148 VanDerWaalsContact O-CG 3.23Å; L144-L148 WeakPolarHBondContact O-CG 3.2Å; L144-L148 PolarHBondContact O-N 2.95Å; T145-L148 PolarHBondContact O-N 3.14Å; L146-L148 VanDerWaalsContact C-N 3.35Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 2.97Å; L148-L151 PolarHBondContact O-N 3.11Å; L148-N152 PolarHBondContact O-N 2.83Å
149L89.1Confident78.4Confident42 Ų4279.2 Ų79.222%0.2238%0.381CS..Hα-helixtrans-58-44.8171.9-76.7171000111.1V73 I76 T145 L146 N152 T153V73-L149 HydrophobicContact CG2-CD2 3.49Å; V73-L149 VanDerWaalsContact CG2-CD2 3.49Å; V73-L149 HydrophobicContact CG2-CG 3.69Å; I76-L149 HydrophobicContact CB-CD1 4.43Å; T145-L149 HydrophobicContact CG2-CD1 3.91Å; T145-L149 HydrophobicContact CG2-CG 4.37Å; T145-L149 WeakPolarHBondContact O-CB 3.49Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.23Å; T145-L149 PolarHBondContact O-N 3.36Å; L146-L149 PolarHBondContact O-N 2.91Å; L149-N152 PolarHBondContact O-N 3.26Å; L149-T153 WeakPolarHBondContact O-CG2 3.45Å; L149-T153 PolarHBondContact O-N 3.45Å; L149-T153 VanDerWaalsContact O-N 3.08Å
150R87.3Confident75.9Confident163 Ų16378.5 Ų78.562%0.61538%0.378SS*.Hα-helixtrans-63.6-43176.3-75.8-176.9178.9-172.71.5112.1L146 F147 L148 N152 T153 R154L146-R150 WeakPolarHBondContact O-CB 2.95Å; L146-R150 WeakPolarHBondContact O-CG 3.43Å; L146-R150 PolarHBondContact O-N 3.1Å; F147-R150 WeakPolarHBondContact O-CB 3.46Å; F147-R150 PolarHBondContact O-N 2.93Å; L148-R150 VanDerWaalsContact C-N 3.31Å; L148-R150 PolarHBondContact O-N 2.97Å; R150-N152 VanDerWaalsContact C-N 3.31Å; R150-N152 PolarHBondContact O-N 3.35Å; R150-T153 PolarHBondContact O-N 2.72Å; R150-T153 PolarHBondContact O-OG1 3.47Å; R150-R154 PolarHBondContact O-N 3.15Å
151L81.2Confident73.6Confident62 Ų6282.8 Ų82.833%0.32540%0.401SS..Hα-helixtrans-61.6-39.6174.9-73.3-175000111.9F147 L148 T153 R154F147-L151 HydrophobicContact CD1-CD1 3.92Å; F147-L151 HydrophobicContact CD1-CG 4.37Å; F147-L151 HydrophobicContact CE1-CD1 3.3Å; F147-L151 HydrophobicContact CE1-CG 4.01Å; F147-L151 HydrophobicContact CE2-CD1 4.37Å; F147-L151 HydrophobicContact CE2-CD2 4.38Å; F147-L151 HydrophobicContact CE2-CG 4.29Å; F147-L151 HydrophobicContact CZ-CD1 3.57Å; F147-L151 HydrophobicContact CZ-CD2 4.17Å; F147-L151 HydrophobicContact CZ-CG 3.96Å; F147-L151 WeakPolarHBondContact O-CG 3.19Å; F147-L151 PolarHBondContact O-N 3.4Å; L148-L151 PolarHBondContact O-N 3.11Å; L151-T153 PolarHBondContact O-N 3.01Å; L151-R154 CarbonylContact O-C 3.6Å; L151-R154 PolarHBondContact O-N 2.85Å
152N75.6Confident71.5Confident53 Ų5386.2 Ų86.228%0.28342%0.418SS..Hα-helixtrans-67.6-35.6178.8-169.767.9000112.8L65 Q67 L148 L149 R150 R154L65-N152 HydrophobicContact CD2-CB 3.68Å; Q67-N152 WeakPolarHBondContact CB-ND2 3.19Å; Q67-N152 PolarHBondContact N-OD1 3.04Å; L148-N152 PolarHBondContact O-N 2.83Å; L149-N152 PolarHBondContact O-N 3.26Å; R150-N152 VanDerWaalsContact C-N 3.31Å; R150-N152 PolarHBondContact O-N 3.35Å; N152-R154 VanDerWaalsContact C-N 3.3Å; N152-R154 PolarHBondContact O-N 3.41Å
153T68.8Low69.1Low113 Ų11389.8 Ų89.869%0.69345%0.445SS*.Hα-helixtrans-65.9-33.6175.158.80000112.6L149 R150 L151 K155L149-T153 WeakPolarHBondContact O-CG2 3.45Å; L149-T153 PolarHBondContact O-N 3.45Å; L149-T153 VanDerWaalsContact O-N 3.08Å; R150-T153 PolarHBondContact O-N 2.72Å; R150-T153 PolarHBondContact O-OG1 3.47Å; L151-T153 PolarHBondContact O-N 3.01Å; T153-K155 PolarHBondContact O-N 3.31Å
154R62Low66.8Low198 Ų19889.8 Ų89.875%0.74745%0.446SS*.SBendtrans-84.489.9170.6-69.8-170.7178-164.9-0.7107.6R150 L151 N152 V156R150-R154 PolarHBondContact O-N 3.15Å; L151-R154 CarbonylContact O-C 3.6Å; L151-R154 PolarHBondContact O-N 2.85Å; N152-R154 VanDerWaalsContact C-N 3.3Å; N152-R154 PolarHBondContact O-N 3.41Å; R154-V156 VanDerWaalsContact C-N 3.28Å; R154-V156 WeakPolarHBondContact O-CG2 3.4Å; R154-V156 PolarHBondContact O-N 2.95Å
155K52.4Low64.8Low178 Ų17893.7 Ų93.777%0.77446%0.462SS*.  trans-5196.3171.2-71.2-170.4179.2-176.40109.7T153 P157T153-K155 PolarHBondContact O-N 3.31Å; K155-P157 WeakPolarHBondContact O-CD 3.44Å
156V50.8Low62.5Low24 Ų24101.6 Ų101.615%0.14550%0.498CS..  trans-75.4120.4-176.8177.60000106.3R154 W158 L159R154-V156 VanDerWaalsContact C-N 3.28Å; R154-V156 WeakPolarHBondContact O-CG2 3.4Å; R154-V156 PolarHBondContact O-N 2.95Å; V156-W158 HydrophobicContact CG1-CD2 3.43Å; V156-W158 VanDerWaalsContact CG1-CD2 3.43Å; V156-W158 HydrophobicContact CG1-CE3 3.06Å; V156-W158 HydrophobicContact CG1-CG 4.33Å; V156-W158 HydrophobicContact CG1-CH2 3.36Å; V156-W158 HydrophobicContact CG1-CZ2 3.7Å; V156-W158 HydrophobicContact CG1-CZ3 3.03Å; V156-W158 PolarHBondContact O-N 3.26Å; V156-L159 HydrophobicContact CB-CB 4.4Å; V156-L159 HydrophobicContact CB-CD1 4.03Å; V156-L159 HydrophobicContact CB-CG 4.39Å; V156-L159 HydrophobicContact CG2-CD1 4.33Å; V156-L159 PolarHBondContact O-N 3.21Å
157P45.8Very low60.4Low112 Ų112102.7 Ų102.773%0.72750%0.504SS*.THydrogen-bonded Turntrans-53.8-34.4-169-29.434.8000114.6K155K155-P157 WeakPolarHBondContact O-CD 3.44Å
158W56Low58.5Low186 Ų186103 Ų10371%0.70551%0.507SS*.THydrogen-bonded Turntrans-79.6-22.1-17984.479.9000114.1V156 C160V156-W158 HydrophobicContact CG1-CD2 3.43Å; V156-W158 VanDerWaalsContact CG1-CD2 3.43Å; V156-W158 HydrophobicContact CG1-CE3 3.06Å; V156-W158 HydrophobicContact CG1-CG 4.33Å; V156-W158 HydrophobicContact CG1-CH2 3.36Å; V156-W158 HydrophobicContact CG1-CZ2 3.7Å; V156-W158 HydrophobicContact CG1-CZ3 3.03Å; V156-W158 PolarHBondContact O-N 3.26Å; W158-C160 VanDerWaalsContact C-N 3.33Å
159L46.1Very low56.5Low71 Ų71109 Ų10937%0.37253%0.534SS..G310 helixtrans-77.1-23.3175.4-76.3170.2000111.7V156 L161 N162V156-L159 HydrophobicContact CB-CB 4.4Å; V156-L159 HydrophobicContact CB-CD1 4.03Å; V156-L159 HydrophobicContact CB-CG 4.39Å; V156-L159 HydrophobicContact CG2-CD1 4.33Å; V156-L159 PolarHBondContact O-N 3.21Å; L159-L161 PolarHBondContact O-N 3.42Å; L159-L161 VanDerWaalsContact O-N 3.17Å; L159-N162 PolarHBondContact O-N 3.43Å; L159-N162 VanDerWaalsContact O-N 3.16Å
160C44.7Very low54.8Low64 Ų64108.5 Ų108.543%0.43253%0.533SS..G310 helixtrans-65.9-12175.7-71.20000114.2W158 N162 S163W158-C160 VanDerWaalsContact C-N 3.33Å; C160-N162 PolarHBondContact O-N 2.69Å; C160-S163 WeakPolarHBondContact O-CB 3.12Å; C160-S163 PolarHBondContact O-N 2.9Å
161L46Very low53.4Low138 Ų138104 Ų10472%0.72352%0.524SS*.G310 helixtrans-61.1-22.6170.6-75.8164.1000112.5L159L159-L161 PolarHBondContact O-N 3.42Å; L159-L161 VanDerWaalsContact O-N 3.17Å
162N48.8Very low51.9Low77 Ų77106 Ų10641%0.41253%0.534SS..G310 helixtrans-82.8-16.2-179.5-159.824.7000113.7L159 C160 N164 K165L159-N162 PolarHBondContact O-N 3.43Å; L159-N162 VanDerWaalsContact O-N 3.16Å; C160-N162 PolarHBondContact O-N 2.69Å; N162-N164 PolarHBondContact O-N 3.4Å; N162-K165 WeakPolarHBondContact O-CB 3.48Å; N162-K165 PolarHBondContact O-N 2.98Å; N162-K165 WeakPolarHBondContact OD1-CD 3.3Å
163S46.1Very low51.2Low91 Ų91108.3 Ų108.364%0.63654%0.543SS*.G310 helixtrans-60.8-30.2174.5179.80000111.8C160 K165C160-S163 WeakPolarHBondContact O-CB 3.12Å; C160-S163 PolarHBondContact O-N 2.9Å; S163-K165 PolarHBondContact O-N 2.92Å
164N47Very low50.5Low97 Ų97110 Ų11052%0.51954%0.537SS..G310 helixtrans-75.30.3177.6-68.3-9000112.7N162 H166 D167 Q168N162-N164 PolarHBondContact O-N 3.4Å; N164-H166 VanDerWaalsContact C-N 3.34Å; N164-D167 CarbonylContact O-C 3.57Å; N164-D167 WeakPolarHBondContact O-CB 3.31Å; N164-D167 PolarHBondContact O-N 3.38Å; N164-Q168 WeakPolarHBondContact O-CG 3.2Å; N164-Q168 PolarHBondContact O-N 3.08Å
165K48.7Very low50.6Low111 Ų111104.3 Ų104.348%0.48352%0.524SS..Hα-helixtrans-70.9-29.5176.7-144.9-175.4-159.6175.40112.5N162 S163 D167 Q168 K169N162-K165 WeakPolarHBondContact O-CB 3.48Å; N162-K165 PolarHBondContact O-N 2.98Å; N162-K165 WeakPolarHBondContact OD1-CD 3.3Å; S163-K165 PolarHBondContact O-N 2.92Å; K165-D167 VanDerWaalsContact C-N 3.27Å; K165-Q168 PolarHBondContact O-N 2.95Å; K165-K169 WeakPolarHBondContact O-CB 3.41Å; K165-K169 PolarHBondContact O-N 2.79Å
166H44.9Very low50.7Low168 Ų168101.7 Ų101.778%0.77852%0.517SS*.Hα-helixtrans-67-34.7170.9-157.4-68.7000110.8N164 S170N164-H166 VanDerWaalsContact C-N 3.34Å; H166-S170 PolarHBondContact O-N 3.28Å; H166-S170 VanDerWaalsContact O-N 3.13Å
167D49.4Very low51.1Low93 Ų93107.2 Ų107.250%0.49754%0.541SS..Hα-helixtrans-72.1-43.5174.6-150.119.8000110.8N164 K165 K169 S170 V171N164-D167 CarbonylContact O-C 3.57Å; N164-D167 WeakPolarHBondContact O-CB 3.31Å; N164-D167 PolarHBondContact O-N 3.38Å; K165-D167 VanDerWaalsContact C-N 3.27Å; D167-K169 PolarHBondContact O-N 3.37Å; D167-S170 CarbonylContact O-C 3.56Å; D167-S170 PolarHBondContact O-N 2.65Å; D167-S170 PolarHBondContact O-OG 3.34Å; D167-V171 VanDerWaalsContact O-CG2 3.26Å; D167-V171 WeakPolarHBondContact O-CG2 3.45Å; D167-V171 PolarHBondContact O-N 3.46Å
168Q49.6Very low51.6Low119 Ų119105 Ų10556%0.55653%0.529SS*.Hα-helixtrans-62.5-39.8174.1-76.6-164.1-25.600112.9N164 K165 S170 V171 I172N164-Q168 WeakPolarHBondContact O-CG 3.2Å; N164-Q168 PolarHBondContact O-N 3.08Å; K165-Q168 PolarHBondContact O-N 2.95Å; Q168-S170 VanDerWaalsContact C-N 3.32Å; Q168-V171 PolarHBondContact O-N 3.44Å; Q168-I172 WeakPolarHBondContact O-CB 3.27Å; Q168-I172 WeakPolarHBondContact O-CG1 3.31Å; Q168-I172 PolarHBondContact O-N 3.24Å
169K46.1Very low51.4Low130 Ų13098.2 Ų98.257%0.56551%0.51SS*.Hα-helixtrans-63.8-41.7175.4-162.7-178.2178.5-166.80110.3K165 D167 V171 I172 E173K165-K169 WeakPolarHBondContact O-CB 3.41Å; K165-K169 PolarHBondContact O-N 2.79Å; D167-K169 PolarHBondContact O-N 3.37Å; K169-V171 VanDerWaalsContact C-N 3.33Å; K169-V171 PolarHBondContact O-N 2.86Å; K169-I172 PolarHBondContact O-N 3.33Å; K169-E173 WeakPolarHBondContact CE-OE1 3.49Å; K169-E173 VanDerWaalsContact O-CB 3.31Å; K169-E173 WeakPolarHBondContact O-CB 3.46Å; K169-E173 WeakPolarHBondContact O-CG 3.19Å; K169-E173 PolarHBondContact O-N 2.72Å
170S54.4Low51.4Low30 Ų3099.6 Ų99.621%0.2153%0.525CS..Hα-helixtrans-66.3-32.4174.688.40000113.6H166 D167 Q168 R174H166-S170 PolarHBondContact O-N 3.28Å; H166-S170 VanDerWaalsContact O-N 3.13Å; D167-S170 CarbonylContact O-C 3.56Å; D167-S170 PolarHBondContact O-N 2.65Å; D167-S170 PolarHBondContact O-OG 3.34Å; Q168-S170 VanDerWaalsContact C-N 3.32Å; S170-R174 VanDerWaalsContact O-CB 3.3Å; S170-R174 WeakPolarHBondContact O-CB 3.37Å; S170-R174 VanDerWaalsContact O-CG 3.26Å; S170-R174 WeakPolarHBondContact O-CG 3.2Å; S170-R174 PolarHBondContact O-N 3.19Å; S170-R174 PolarHBondContact O-NE 3.24Å; S170-R174 VanDerWaalsContact O-NE 3.13Å; S170-R174 PolarHBondContact OG-NH2 3.46Å
171V57.1Low51.4Low70 Ų70100.7 Ų100.742%0.42453%0.534SS..Hα-helixtrans-76.5-43.5177.4170.90000110D167 Q168 K169 R174 V175D167-V171 VanDerWaalsContact O-CG2 3.26Å; D167-V171 WeakPolarHBondContact O-CG2 3.45Å; D167-V171 PolarHBondContact O-N 3.46Å; Q168-V171 PolarHBondContact O-N 3.44Å; K169-V171 VanDerWaalsContact C-N 3.33Å; K169-V171 PolarHBondContact O-N 2.86Å; V171-R174 PolarHBondContact O-N 2.93Å; V171-V175 HydrophobicContact CG1-CG2 4.27Å; V171-V175 WeakPolarHBondContact O-CB 3.26Å; V171-V175 WeakPolarHBondContact O-CG2 3.45Å; V171-V175 PolarHBondContact O-N 3.5Å
172I50Low51Low102 Ų102100.6 Ų100.652%0.52353%0.534SS..Hα-helixtrans-64.6-43.9175.8-68.3167.7000109.8Q168 K169 R174 V175 L176Q168-I172 WeakPolarHBondContact O-CB 3.27Å; Q168-I172 WeakPolarHBondContact O-CG1 3.31Å; Q168-I172 PolarHBondContact O-N 3.24Å; K169-I172 PolarHBondContact O-N 3.33Å; I172-R174 PolarHBondContact O-N 3.13Å; I172-V175 CarbonylContact O-C 3.59Å; I172-V175 PolarHBondContact O-N 3.49Å; I172-L176 WeakPolarHBondContact O-CB 3.15Å; I172-L176 PolarHBondContact O-N 3.43Å
173E59.8Low50.2Low103 Ų103102.5 Ų102.548%0.48154%0.543SS..Hα-helixtrans-60.2-45.1174.3-77.5173.3-177.500110.8K169 V175 L176 E177K169-E173 WeakPolarHBondContact CE-OE1 3.49Å; K169-E173 VanDerWaalsContact O-CB 3.31Å; K169-E173 WeakPolarHBondContact O-CB 3.46Å; K169-E173 WeakPolarHBondContact O-CG 3.19Å; K169-E173 PolarHBondContact O-N 2.72Å; E173-V175 PolarHBondContact O-N 2.81Å; E173-L176 PolarHBondContact O-N 3.37Å; E173-E177 WeakPolarHBondContact O-CB 3.29Å; E173-E177 WeakPolarHBondContact O-CG 3.23Å; E173-E177 PolarHBondContact O-N 3.14Å
174R55.7Low49.4Very low149 Ų149103.9 Ų103.956%0.56255%0.553SS**Hα-helixtrans-62-39.6174.3-81.1-176.5-81-169.3-4.3113.6S170 V171 I172 S178S170-R174 VanDerWaalsContact O-CB 3.3Å; S170-R174 WeakPolarHBondContact O-CB 3.37Å; S170-R174 VanDerWaalsContact O-CG 3.26Å; S170-R174 WeakPolarHBondContact O-CG 3.2Å; S170-R174 PolarHBondContact O-N 3.19Å; S170-R174 PolarHBondContact O-NE 3.24Å; S170-R174 VanDerWaalsContact O-NE 3.13Å; S170-R174 PolarHBondContact OG-NH2 3.46Å; V171-R174 PolarHBondContact O-N 2.93Å; I172-R174 PolarHBondContact O-N 3.13Å; R174-S178 WeakPolarHBondContact O-CB 3.5Å; R174-S178 PolarHBondContact O-N 3.37Å
175V63.2Low48.6Very low78 Ų78103.2 Ų103.247%0.47357%0.569SS.*Hα-helixtrans-73-34.8177.5170.40000111.2V171 I172 E173 S178 S179V171-V175 HydrophobicContact CG1-CG2 4.27Å; V171-V175 WeakPolarHBondContact O-CB 3.26Å; V171-V175 WeakPolarHBondContact O-CG2 3.45Å; V171-V175 PolarHBondContact O-N 3.5Å; I172-V175 CarbonylContact O-C 3.59Å; I172-V175 PolarHBondContact O-N 3.49Å; E173-V175 PolarHBondContact O-N 2.81Å; V175-S178 PolarHBondContact O-N 2.86Å; V175-S178 PolarHBondContact O-OG 3.26Å; V175-S179 WeakPolarHBondContact O-CB 3.26Å; V175-S179 PolarHBondContact O-N 2.87Å; V175-S179 PolarHBondContact O-OG 3.31Å
176L53.8Low47.6Very low122 Ų122100.7 Ų100.764%0.63957%0.574SS**Hα-helixtrans-72.5-38.4177.1-15190.8000110.4I172 E173 S179 S180I172-L176 WeakPolarHBondContact O-CB 3.15Å; I172-L176 PolarHBondContact O-N 3.43Å; E173-L176 PolarHBondContact O-N 3.37Å; L176-S179 PolarHBondContact O-N 3.32Å; L176-S180 WeakPolarHBondContact O-CB 3.26Å; L176-S180 PolarHBondContact O-N 3.33Å
177E60.9Low46.8Very low140 Ų140102.1 Ų102.165%0.65458%0.578SS**Hα-helixtrans-63.5-43.4170.3-75.8177.217300110.9E173 S179 S180 S181E173-E177 WeakPolarHBondContact O-CB 3.29Å; E173-E177 WeakPolarHBondContact O-CG 3.23Å; E173-E177 PolarHBondContact O-N 3.14Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.3Å; E177-S180 PolarHBondContact O-N 3.48Å; E177-S181 PolarHBondContact O-N 3.13Å
178S54.9Low45.8Very low67 Ų67105.3 Ų105.347%0.46959%0.593SS.*Hα-helixtrans-71.1-25.2176.493.90000113.6R174 V175 S181R174-S178 WeakPolarHBondContact O-CB 3.5Å; R174-S178 PolarHBondContact O-N 3.37Å; V175-S178 PolarHBondContact O-N 2.86Å; V175-S178 PolarHBondContact O-OG 3.26Å; S178-S181 PolarHBondContact O-OG 3.36Å
179S52Low44.8Very low43 Ų43105.1 Ų105.130%0.30160%0.6SS.*Hα-helixtrans-87-29.8177.1-59.30000111.6V175 L176 E177 S181 N182 I183V175-S179 WeakPolarHBondContact O-CB 3.26Å; V175-S179 PolarHBondContact O-N 2.87Å; V175-S179 PolarHBondContact O-OG 3.31Å; L176-S179 PolarHBondContact O-N 3.32Å; E177-S179 VanDerWaalsContact C-N 3.31Å; E177-S179 PolarHBondContact O-N 3.3Å; S179-S181 PolarHBondContact O-N 3.35Å; S179-N182 CarbonylContact O-C 3.59Å; S179-N182 PolarHBondContact O-N 3.49Å; S179-I183 PolarHBondContact O-N 2.88Å
180S45.4Very low44.2Very low99 Ų99103.3 Ų103.369%0.69260%0.604SS**Hα-helixtrans-61.7-29.4172.1175.60000111.6L176 E177 N182L176-S180 WeakPolarHBondContact O-CB 3.26Å; L176-S180 PolarHBondContact O-N 3.33Å; E177-S180 PolarHBondContact O-N 3.48Å; S180-N182 PolarHBondContact O-N 3.34Å
181S46.1Very low42.9Very low87 Ų87105.6 Ų105.661%0.60862%0.62SS**THydrogen-bonded Turntrans-74.5-12172.155.10000113.8E177 S178 S179E177-S181 PolarHBondContact O-N 3.13Å; S178-S181 PolarHBondContact O-OG 3.36Å; S179-S181 PolarHBondContact O-N 3.35Å
182N37Very low41.5Very low137 Ų137113.4 Ų113.473%0.73364%0.642SS**THydrogen-bonded Turntrans-128.1-0.8-171.2-80.4-18.5000116.6S179 S180S179-N182 CarbonylContact O-C 3.59Å; S179-N182 PolarHBondContact O-N 3.49Å; S180-N182 PolarHBondContact O-N 3.34Å
183I32.6Very low40.8Very low117 Ų117118 Ų11860%0.665%0.654SS**  trans-124.783-179.1-53.8-179.9000110.6S179 G185S179-I183 PolarHBondContact O-N 2.88Å; I183-G185 PolarHBondContact O-N 3.19Å
184S29.3Very low39.4Very low120 Ų120122.5 Ų122.584%0.83967%0.667SS**  trans-62122.4148.768.80000108.7
185G29.3Very low38.5Very low83 Ų83120.5 Ų120.586%0.85667%0.673SS**  trans70.385.6156.100000116.7I183I183-G185 PolarHBondContact O-N 3.19Å
186G27.8Very low37.2Very low57 Ų57123 Ų12359%0.58868%0.684SS**  trans-157.381.8167.100000111.4I188G186-I188 PolarHBondContact O-N 3.5Å
187K28.7Very low36.4Very low199 Ų199124.9 Ų124.987%0.86569%0.694SS**  trans-72.391.4-176.6-158.4178.1-169.8178.50109.9T189K187-T189 HydrophobicContact CG-CG2 4.38Å; K187-T189 PolarHBondContact O-N 3.34Å
188I28.2Very low35.3Very low159 Ų159125.8 Ų125.882%0.81570%0.696SS**  trans-81.6101.9174-62.6176.7000108.6G186 S190G186-I188 PolarHBondContact O-N 3.5Å; I188-S190 PolarHBondContact O-N 3.31Å
189T29.3Very low34.6Very low115 Ų115129.8 Ų129.871%0.70670%0.701SS**  trans-9090.4172.955.80000109.4K187 S191K187-T189 HydrophobicContact CG-CG2 4.38Å; K187-T189 PolarHBondContact O-N 3.34Å; T189-S191 PolarHBondContact O-N 3.33Å
190S32.5Very low34.1Very low93 Ų93136.7 Ų136.765%0.6572%0.721SS**  trans-91.992.5169.662.90000109.8I188 W192I188-S190 PolarHBondContact O-N 3.31Å; S190-W192 PolarHBondContact O-N 3.23Å
191S27.1Very low34.1Very low78 Ų78136.8 Ų136.855%0.54571%0.711SS.*  trans-87.987.1-177.9178.60000111T189 Y193T189-S191 PolarHBondContact O-N 3.33Å; S191-Y193 WeakPolarHBondContact OG-CD2 3.48Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.39Å
192W28.6Very low34.1Very low233 Ų233136.3 Ų136.388%0.88370%0.704SS**  trans-94.597.4170.4-75.287.1000109.2S190S190-W192 PolarHBondContact O-N 3.23Å
193Y34.5Very low34.6Very low200 Ų200135.7 Ų135.778%0.78469%0.693SS**  trans-75.7156.8179.8-87.6-83.7000112.2S191 P195S191-Y193 WeakPolarHBondContact OG-CD2 3.48Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.39Å; Y193-P195 WeakPolarHBondContact O-CD 3.05Å
194W30.8Very low35.2Very low197 Ų197135.2 Ų135.275%0.74669%0.691SS**  trans-10158.4-166.1-76.386.7000115.7M1 D196M1-W194 HydrophobicContact CE-CH2 4.27Å; M1-W194 HydrophobicContact CE-CZ3 3.98Å; M1-W194 HydrophobicContact SD-CH2 4.1Å; M1-W194 HydrophobicContact SD-CZ3 4.21Å; W194-D196 VanDerWaalsContact C-N 3.3Å; W194-D196 PolarHBondContact O-N 2.84Å
195P35.7Very low36.1Very low106 Ų106134.7 Ų134.769%0.68868%0.675SS**THydrogen-bonded Turntrans-86.771.4-178.437.6-34.2000110.5Y193Y193-P195 WeakPolarHBondContact O-CD 3.05Å
196D37.2Very low37.2Very low132 Ų132133.2 Ų133.271%0.70665%0.654SS**THydrogen-bonded Turntrans-137.2-23.7163.2-94.6-25.5000113.5W194 F198W194-D196 VanDerWaalsContact C-N 3.3Å; W194-D196 PolarHBondContact O-N 2.84Å; D196-F198 VanDerWaalsContact C-N 3.33Å; D196-F198 PolarHBondContact O-N 3.37Å
197L37.5Very low38.2Very low161 Ų161135.1 Ų135.184%0.84365%0.651SS**SBendtrans-73.3-25.7175.1-146.483.2000112.9
198F37.8Very low39.2Very low158 Ų158131.4 Ų131.469%0.69364%0.64SS**SBendtrans-82.6-14.4-178.6-73.8-74.7000114.5D196 Y200 H201 T202D196-F198 VanDerWaalsContact C-N 3.33Å; D196-F198 PolarHBondContact O-N 3.37Å; F198-Y200 VanDerWaalsContact C-N 3.28Å; F198-Y200 PolarHBondContact O-N 2.86Å; F198-H201 PolarHBondContact O-N 3.32Å; F198-H201 VanDerWaalsContact O-N 3.13Å; F198-T202 PolarHBondContact O-N 2.78Å
199R39.5Very low40.4Very low152 Ų152131.9 Ų131.957%0.57464%0.636SS**Hα-helixtrans-68.5-28.2-176.7-158.3174.8-1751611.8112.5T202 Y203R199-T202 PolarHBondContact O-OG1 3.02Å; R199-Y203 HydrophobicContact CG-CE2 3.99Å; R199-Y203 WeakPolarHBondContact O-CD2 3.43Å
200Y42.2Very low41.5Very low187 Ų187131.5 Ų131.573%0.73363%0.629SS**Hα-helixtrans-69.4-33.9173-111.9-89.9000112.9F198 T202 Y203 L204F198-Y200 VanDerWaalsContact C-N 3.28Å; F198-Y200 PolarHBondContact O-N 2.86Å; Y200-T202 VanDerWaalsContact C-N 3.34Å; Y200-T202 PolarHBondContact O-N 3.26Å; Y200-Y203 PolarHBondContact O-N 3.01Å; Y200-L204 PolarHBondContact O-N 3.44Å
201H44.1Very low42.4Very low101 Ų101131.9 Ų131.947%0.46862%0.624SS.*Hα-helixtrans-67-37.6177.6-160.1-89.2000111.3F198 Y203 L204 E205F198-H201 PolarHBondContact O-N 3.32Å; F198-H201 VanDerWaalsContact O-N 3.13Å; H201-Y203 VanDerWaalsContact C-N 3.27Å; H201-Y203 PolarHBondContact O-N 3.1Å; H201-L204 PolarHBondContact O-N 3.3Å; H201-E205 IonicContact CE1-OE1 2.8Å; H201-E205 PolarHBondContact CE1-OE1 2.93Å; H201-E205 IonicContact CE1-OE2 3.14Å; H201-E205 PolarHBondContact CE1-OE2 3.43Å; H201-E205 IonicContact ND1-OE1 3.96Å; H201-E205 IonicContact ND1-OE2 3.35Å; H201-E205 PolarHBondContact ND1-OE2 2.79Å; H201-E205 WeakPolarHBondContact O-CB 3.49Å; H201-E205 PolarHBondContact O-N 2.93Å
202T47.2Very low43.6Very low78 Ų78129.6 Ų129.648%0.47961%0.613SS.*Hα-helixtrans-65.6-28.8177.850.40000113.4F198 R199 Y200 A206F198-T202 PolarHBondContact O-N 2.78Å; R199-T202 PolarHBondContact O-OG1 3.02Å; Y200-T202 VanDerWaalsContact C-N 3.34Å; Y200-T202 PolarHBondContact O-N 3.26Å; T202-A206 WeakPolarHBondContact O-CB 3.44Å; T202-A206 PolarHBondContact O-N 2.86Å
203Y46.7Very low44.6Very low124 Ų124121.2 Ų121.249%0.48659%0.594SS.*Hα-helixtrans-74-42.5174.1-71.8-69.8000111.7R199 Y200 H201 A206 D207R199-Y203 HydrophobicContact CG-CE2 3.99Å; R199-Y203 WeakPolarHBondContact O-CD2 3.43Å; Y200-Y203 PolarHBondContact O-N 3.01Å; H201-Y203 VanDerWaalsContact C-N 3.27Å; H201-Y203 PolarHBondContact O-N 3.1Å; Y203-A206 PolarHBondContact O-N 3.2Å; Y203-D207 WeakPolarHBondContact O-CB 3.22Å; Y203-D207 PolarHBondContact O-N 3.06Å
204L46.2Very low45.3Very low107 Ų107115.7 Ų115.756%0.5658%0.58SS**Hα-helixtrans-65.7-41.4176.3-77.8164.1000112.1Y200 H201 D207 I208Y200-L204 PolarHBondContact O-N 3.44Å; H201-L204 PolarHBondContact O-N 3.3Å; L204-D207 PolarHBondContact O-N 3.2Å; L204-I208 WeakPolarHBondContact O-CB 3.04Å; L204-I208 WeakPolarHBondContact O-CD1 3.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.32Å; L204-I208 PolarHBondContact O-N 2.88Å
205E48.3Very low46.2Very low109 Ų109110.1 Ų110.151%0.50957%0.571SS.*Hα-helixtrans-68.5-39.1175.9-90.6177.4146.100112.5H201 D207 I208 K209H201-E205 IonicContact CE1-OE1 2.8Å; H201-E205 PolarHBondContact CE1-OE1 2.93Å; H201-E205 IonicContact CE1-OE2 3.14Å; H201-E205 PolarHBondContact CE1-OE2 3.43Å; H201-E205 IonicContact ND1-OE1 3.96Å; H201-E205 IonicContact ND1-OE2 3.35Å; H201-E205 PolarHBondContact ND1-OE2 2.79Å; H201-E205 WeakPolarHBondContact O-CB 3.49Å; H201-E205 PolarHBondContact O-N 2.93Å; E205-D207 VanDerWaalsContact C-N 3.3Å; E205-D207 PolarHBondContact O-N 2.91Å; E205-I208 PolarHBondContact O-N 2.89Å; E205-K209 WeakPolarHBondContact O-CB 3.17Å; E205-K209 PolarHBondContact O-N 3.28Å
206A52.1Low46.7Very low51 Ų51111.3 Ų111.342%0.42157%0.571SS.*Hα-helixtrans-63.4-39.1175.800000111.4T202 Y203 K209 N210T202-A206 WeakPolarHBondContact O-CB 3.44Å; T202-A206 PolarHBondContact O-N 2.86Å; Y203-A206 PolarHBondContact O-N 3.2Å; A206-K209 PolarHBondContact O-N 3.46Å; A206-N210 WeakPolarHBondContact O-CB 3.38Å; A206-N210 PolarHBondContact O-N 3.46Å
207D48.3Very low47.3Very low98 Ų98108.5 Ų108.552%0.52456%0.562SS.*Hα-helixtrans-72.2-39179.3-146.730.3000111.7Y203 L204 E205 N210 N211Y203-D207 WeakPolarHBondContact O-CB 3.22Å; Y203-D207 PolarHBondContact O-N 3.06Å; L204-D207 PolarHBondContact O-N 3.2Å; E205-D207 VanDerWaalsContact C-N 3.3Å; E205-D207 PolarHBondContact O-N 2.91Å; D207-N210 PolarHBondContact O-N 2.85Å; D207-N211 WeakPolarHBondContact O-CB 3.2Å; D207-N211 VanDerWaalsContact O-CG 3.3Å; D207-N211 PolarHBondContact O-N 3.45Å; D207-N211 PolarHBondContact O-ND2 3.3Å
208I50.5Low47.7Very low121 Ų121107.2 Ų107.262%0.62156%0.556SS**Hα-helixtrans-65.8-39.9172.9-68.8164.3000111.1L204 E205 G212L204-I208 WeakPolarHBondContact O-CB 3.04Å; L204-I208 WeakPolarHBondContact O-CD1 3.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.32Å; L204-I208 PolarHBondContact O-N 2.88Å; E205-I208 PolarHBondContact O-N 2.89Å; I208-G212 PolarHBondContact O-N 3.46Å
209K53.1Low47.8Very low168 Ų168106.3 Ų106.373%0.7356%0.558SS**Hα-helixtrans-69.7-38.3177.8-124.7177.5-177.8178.20112E205 A206 A213E205-K209 WeakPolarHBondContact O-CB 3.17Å; E205-K209 PolarHBondContact O-N 3.28Å; A206-K209 PolarHBondContact O-N 3.46Å; K209-A213 WeakPolarHBondContact O-CB 3.34Å; K209-A213 PolarHBondContact O-N 3.47Å
210N52.6Low47.8Very low107 Ų107107.2 Ų107.257%0.57257%0.567SS**Hα-helixtrans-69.1-43.5175.7-87.8-8.2000111.5A206 D207 G212 A213 V214A206-N210 WeakPolarHBondContact O-CB 3.38Å; A206-N210 PolarHBondContact O-N 3.46Å; D207-N210 PolarHBondContact O-N 2.85Å; N210-G212 VanDerWaalsContact C-N 3.34Å; N210-G212 PolarHBondContact O-N 2.85Å; N210-A213 PolarHBondContact O-N 2.86Å; N210-V214 WeakPolarHBondContact O-CB 3.46Å; N210-V214 VanDerWaalsContact O-CG2 3.23Å; N210-V214 WeakPolarHBondContact O-CG2 3.23Å; N210-V214 PolarHBondContact O-N 2.89Å
211N49.8Very low47.7Very low101 Ų101105.1 Ų105.154%0.5457%0.568SS.*Hα-helixtrans-66.9-36.7176.4-71.7-26000112D207 S215D207-N211 WeakPolarHBondContact O-CB 3.2Å; D207-N211 VanDerWaalsContact O-CG 3.3Å; D207-N211 PolarHBondContact O-N 3.45Å; D207-N211 PolarHBondContact O-ND2 3.3Å; N211-S215 PolarHBondContact O-N 3.42Å; N211-S215 PolarHBondContact O-OG 3.28Å
212G52.1Low47.8Very low30 Ų30114.7 Ų114.731%0.30960%0.602SS.*Hα-helixtrans-65.4-42172.600000112.9I208 N210 S215 L216I208-G212 PolarHBondContact O-N 3.46Å; N210-G212 VanDerWaalsContact C-N 3.34Å; N210-G212 PolarHBondContact O-N 2.85Å; G212-S215 PolarHBondContact O-N 3.43Å; G212-S215 PolarHBondContact O-OG 3.27Å; G212-L216 PolarHBondContact O-N 3.49Å
213A50.4Low47.9Very low58 Ų58116.6 Ų116.648%0.47961%0.608SS.*Hα-helixtrans-69.5-38178.300000112.6K209 N210 S215 L216 S217K209-A213 WeakPolarHBondContact O-CB 3.34Å; K209-A213 PolarHBondContact O-N 3.47Å; N210-A213 PolarHBondContact O-N 2.86Å; A213-S215 VanDerWaalsContact C-N 3.33Å; A213-L216 PolarHBondContact O-N 2.76Å; A213-S217 PolarHBondContact O-N 3.06Å
214V50.1Low47.9Very low83 Ų83116.2 Ų116.250%0.50362%0.615SS.*Hα-helixtrans-64.2-40.1173.71720000110.4N210 L216 S217 D218N210-V214 WeakPolarHBondContact O-CB 3.46Å; N210-V214 VanDerWaalsContact O-CG2 3.23Å; N210-V214 WeakPolarHBondContact O-CG2 3.23Å; N210-V214 PolarHBondContact O-N 2.89Å; V214-L216 PolarHBondContact O-N 3.37Å; V214-S217 PolarHBondContact O-N 3.05Å; V214-S217 PolarHBondContact O-OG 3.22Å; V214-D218 PolarHBondContact O-N 3.18Å
215S48.3Very low48Very low80 Ų80116.7 Ų116.756%0.55962%0.618SS**Hα-helixtrans-67.9-21.9176.574.30000114.4N211 G212 A213N211-S215 PolarHBondContact O-N 3.42Å; N211-S215 PolarHBondContact O-OG 3.28Å; G212-S215 PolarHBondContact O-N 3.43Å; G212-S215 PolarHBondContact O-OG 3.27Å; A213-S215 VanDerWaalsContact C-N 3.33Å
216L47Very low48Very low131 Ų131117.1 Ų117.169%0.68662%0.624SS**Hα-helixtrans-94.2-21.2180-115.8132.5000113.3G212 A213 V214G212-L216 PolarHBondContact O-N 3.49Å; A213-L216 PolarHBondContact O-N 2.76Å; V214-L216 PolarHBondContact O-N 3.37Å
217S49Very low47.8Very low73 Ų73121.3 Ų121.351%0.5164%0.637SS.*Hα-helixtrans-78.2-31.8173.366.60000112.7A213 V214 N219A213-S217 PolarHBondContact O-N 3.06Å; V214-S217 PolarHBondContact O-N 3.05Å; V214-S217 PolarHBondContact O-OG 3.22Å; S217-N219 PolarHBondContact O-N 3.14Å; S217-N219 VanDerWaalsContact O-N 3.14Å
218D46.4Very low47.7Very low134 Ų134122.8 Ų122.872%0.71764%0.644SS**THydrogen-bonded Turntrans-73.9-1.3-177.9-81.6-2.1000114.3V214V214-D218 PolarHBondContact O-N 3.18Å
219N41.1Very low47.5Very low139 Ų139122.9 Ų122.974%0.74365%0.646SS**THydrogen-bonded Turntrans-114.327-178.5-154.511.1000114.1S217S217-N219 PolarHBondContact O-N 3.14Å; S217-N219 VanDerWaalsContact O-N 3.14Å
220K39Very low47.1Very low172 Ų172119.5 Ų119.575%0.74864%0.64SS**SBendtrans-124.29.1177.6-86.6-165.6176.4-179.30117.1
221D39.9Very low46.6Very low142 Ų142120.5 Ų120.576%0.75965%0.645SS**  trans-116.465.1176.9-67.2-17.8000111.8
222Y46.6Very low46.3Very low303 Ų303122.3 Ų122.3100%1.18866%0.655SS**  trans-153.50156.2-71.5-72.2000109.6

Retrieved 222 of 222 residues in 195.9 ms (Link to these results)

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