A0A087YEX8_POEFO Loading...

Synembryn

Chaperone that specifically binds and folds nascent G alpha proteins prior to G protein heterotrimer formation. Also acts as a guanine nucleotide exchange factor (GEF) for G alpha proteins by stimulating exchange of bound GDP for free GTP.

AlphaFold DB (A0A3B3UEE3), UniProt , Accession A0A087YEX8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 540 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
1M66.6Low83.5Confident77 Ų7761.7 Ų61.738%0.37933%0.333SS..  0155.40-88.1-174.6-7000110.7I6 R24 Y25 E28M1-I6 HydrophobicContact CB-CD1 3.89Å; M1-I6 HydrophobicContact CB-CG1 4.49Å; M1-I6 HydrophobicContact CE-CD1 4.15Å; M1-I6 HydrophobicContact SD-CD1 4.38Å; M1-R24 HydrophobicContact CE-CB 3.66Å; M1-R24 HydrophobicContact CE-CG 3.46Å; M1-R24 VanDerWaalsContact CE-CG 3.46Å; M1-R24 HydrophobicContact SD-CB 4.44Å; M1-R24 WeakPolarHBondContact SD-CD 3.46Å; M1-R24 HydrophobicContact SD-CG 3.96Å; M1-Y25 VanDerWaalsContact CE-CA 3.47Å; M1-E28 WeakPolarHBondContact CG-OE1 3.3Å; M1-E28 WeakPolarHBondContact CG-OE2 3.21Å; M1-E28 PolarHBondContact N-OE2 3.13Å
2D83.4Confident83.3Confident102 Ų10265.4 Ų65.455%0.54537%0.367SS..  trans-73.7121.7171174.927000110.7N4 G5 I6D2-N4 VanDerWaalsContact C-N 3.28Å; D2-N4 PolarHBondContact O-N 3.24Å; D2-N4 PolarHBondContact OD1-N 3.22Å; D2-N4 VanDerWaalsContact OD1-N 3.17Å; D2-G5 PolarHBondContact O-N 3.01Å; D2-I6 PolarHBondContact O-N 3.45Å
3L84.8Confident83.1Confident6 Ų662.2 Ų62.23%0.03135%0.354CS..Hα-helixtrans-63.7-31.6-179.3-79.9161.6000112.6I6 L7 Y25 E39 L42 R43 L46L3-I6 PolarHBondContact O-N 2.66Å; L3-L7 WeakPolarHBondContact O-CG 3.3Å; L3-L7 PolarHBondContact O-N 3.08Å; L3-Y25 HydrophobicContact CD2-CE2 3.82Å; L3-E39 HydrophobicContact CD1-CB 3.83Å; L3-E39 HydrophobicContact CD1-CG 4.1Å; L3-L42 HydrophobicContact CB-CB 4.06Å; L3-L42 HydrophobicContact CB-CD1 4.1Å; L3-L42 HydrophobicContact CD1-CB 4.22Å; L3-R43 HydrophobicContact CD1-CG 3.91Å; L3-L46 HydrophobicContact CD2-CD2 3.77Å
4N84.8Confident83.3Confident86 Ų8664.1 Ų64.146%0.4636%0.363SS..Hα-helixtrans-66.2-41.9177.6-70-60.6000111.5D2 I6 L7 S8 L42D2-N4 VanDerWaalsContact C-N 3.28Å; D2-N4 PolarHBondContact O-N 3.24Å; D2-N4 PolarHBondContact OD1-N 3.22Å; D2-N4 VanDerWaalsContact OD1-N 3.17Å; N4-I6 VanDerWaalsContact C-N 3.33Å; N4-I6 PolarHBondContact O-N 3.03Å; N4-L7 PolarHBondContact O-N 2.77Å; N4-S8 PolarHBondContact O-N 3.26Å; N4-L42 WeakPolarHBondContact OD1-CD2 3.31Å
5G84.5Confident83.5Confident26 Ų2663.5 Ų63.527%0.26836%0.356SS..Hα-helixtrans-60.7-41.2174.300000112.6D2 Q9D2-G5 PolarHBondContact O-N 3.01Å; G5-Q9 VanDerWaalsContact O-CG 3.3Å; G5-Q9 WeakPolarHBondContact O-CG 3.35Å; G5-Q9 PolarHBondContact O-N 3.33Å; G5-Q9 VanDerWaalsContact O-N 3.15Å
6I86.9Confident83.8Confident3 Ų365.8 Ų65.82%0.01536%0.362CS..Hα-helixtrans-63-48.9176.5-65.9171.5000110.8M1 D2 L3 N4 S8 Q9 L10 L21 Y25 L46M1-I6 HydrophobicContact CB-CD1 3.89Å; M1-I6 HydrophobicContact CB-CG1 4.49Å; M1-I6 HydrophobicContact CE-CD1 4.15Å; M1-I6 HydrophobicContact SD-CD1 4.38Å; D2-I6 PolarHBondContact O-N 3.45Å; L3-I6 PolarHBondContact O-N 2.66Å; N4-I6 VanDerWaalsContact C-N 3.33Å; N4-I6 PolarHBondContact O-N 3.03Å; I6-S8 PolarHBondContact O-N 3.45Å; I6-Q9 PolarHBondContact O-N 3.39Å; I6-L10 HydrophobicContact CG2-CD1 3.78Å; I6-L10 HydrophobicContact CG2-CG 4.32Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 2.97Å; I6-L21 HydrophobicContact CG1-CD1 4.05Å; I6-L21 HydrophobicContact CG2-CD2 4.06Å; I6-L21 HydrophobicContact CG2-CG 4.14Å; I6-Y25 HydrophobicContact CD1-CD2 3.52Å; I6-Y25 HydrophobicContact CD1-CE2 4.33Å; I6-Y25 HydrophobicContact CD1-CG 4.23Å; I6-L46 HydrophobicContact CG2-CD1 4.01Å
7L88.9Confident84.1Confident16 Ų1666.3 Ų66.38%0.08437%0.365CS..Hα-helixtrans-61.2-45.1-178.6-72.8171000112.2L3 N4 Q9 L10 E11 L42 K45 L46L3-L7 WeakPolarHBondContact O-CG 3.3Å; L3-L7 PolarHBondContact O-N 3.08Å; N4-L7 PolarHBondContact O-N 2.77Å; L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.98Å; L7-E11 PolarHBondContact O-N 3.33Å; L7-L42 HydrophobicContact CD1-CB 4.29Å; L7-L42 HydrophobicContact CD1-CD2 4.01Å; L7-K45 HydrophobicContact CD1-CB 4.06Å; L7-K45 HydrophobicContact CD2-CB 4.17Å; L7-L46 HydrophobicContact CD2-CB 4Å; L7-L46 HydrophobicContact CD2-CD1 4.11Å
8S86.2Confident84.4Confident76 Ų7662.9 Ų62.953%0.53135%0.346SS..Hα-helixtrans-63.9-36.2179.2177.80000112.5N4 I6N4-S8 PolarHBondContact O-N 3.26Å; I6-S8 PolarHBondContact O-N 3.45Å
9Q85.9Confident84.8Confident111 Ų11160.8 Ų60.852%0.51933%0.334SS..Hα-helixtrans-72.7-38.4176.6-70.7175.518.400111.7G5 I6 L7 E11 S12 A13 L21G5-Q9 VanDerWaalsContact O-CG 3.3Å; G5-Q9 WeakPolarHBondContact O-CG 3.35Å; G5-Q9 PolarHBondContact O-N 3.33Å; G5-Q9 VanDerWaalsContact O-N 3.15Å; I6-Q9 PolarHBondContact O-N 3.39Å; L7-Q9 VanDerWaalsContact C-N 3.31Å; L7-Q9 PolarHBondContact O-N 3.16Å; Q9-E11 VanDerWaalsContact C-N 3.28Å; Q9-E11 PolarHBondContact O-N 2.65Å; Q9-S12 PolarHBondContact O-N 2.86Å; Q9-A13 WeakPolarHBondContact O-CB 3.47Å; Q9-A13 PolarHBondContact O-N 3.18Å; Q9-L21 HydrophobicContact CB-CD2 3.68Å
10L87Confident85.1Confident13 Ų1363.3 Ų63.37%0.06834%0.341CS..Hα-helixtrans-61.7-31.4178.3-79.1169.9000113.9I6 L7 S12 T18 L21 L22 L46I6-L10 HydrophobicContact CG2-CD1 3.78Å; I6-L10 HydrophobicContact CG2-CG 4.32Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 2.98Å; L10-S12 VanDerWaalsContact C-N 3.25Å; L10-S12 PolarHBondContact O-N 3.3Å; L10-T18 HydrophobicContact CD2-CG2 3.71Å; L10-L21 HydrophobicContact CD2-CD2 4.14Å; L10-L21 HydrophobicContact CG-CD2 3.84Å; L10-L22 HydrophobicContact CD1-CD2 4.07Å; L10-L22 HydrophobicContact CD2-CD1 4.4Å; L10-L22 HydrophobicContact CD2-CD2 4.13Å; L10-L22 HydrophobicContact CD2-CG 4.16Å; L10-L46 HydrophobicContact CD1-CD1 3.4Å
11E80Confident85.5Confident163 Ų16361.1 Ų61.176%0.76233%0.329SS*.THydrogen-bonded Turntrans-66-27.4179.9-73.4176-178.600113.2L7 Q9L7-E11 PolarHBondContact O-N 3.33Å; Q9-E11 VanDerWaalsContact C-N 3.28Å; Q9-E11 PolarHBondContact O-N 2.65Å
12S80.3Confident86.8Confident106 Ų10657.5 Ų57.574%0.74131%0.311SS*.THydrogen-bonded Turntrans-118.8-5.6-175.559.20000114.5Q9 L10Q9-S12 PolarHBondContact O-N 2.86Å; L10-S12 VanDerWaalsContact C-N 3.25Å; L10-S12 PolarHBondContact O-N 3.3Å
13A81.1Confident87.2Confident24 Ų2457.3 Ų57.320%0.19830%0.303CS..  trans-69.8141.3-177.600000112.4Q9 D17 T18Q9-A13 WeakPolarHBondContact O-CB 3.47Å; Q9-A13 PolarHBondContact O-N 3.18Å; A13-D17 HydrophobicContact CB-CB 3.9Å; A13-T18 WeakPolarHBondContact CB-OG1 3.44Å
14N85.4Confident87.6Confident89 Ų8964 Ų6448%0.47633%0.328SS..  trans-72.3178.6161.964.148000110.2E16 D17 T18N14-E16 PolarHBondContact O-N 3.12Å; N14-E16 PolarHBondContact OD1-N 2.75Å; N14-D17 VanDerWaalsContact CG-OD2 3.27Å; N14-D17 PolarHBondContact ND2-OD2 3Å; N14-D17 PolarHBondContact O-N 2.86Å; N14-D17 PolarHBondContact OD1-N 2.8Å; N14-D17 PolarHBondContact OD1-OD2 3.43Å; N14-T18 WeakPolarHBondContact O-CB 3.32Å; N14-T18 PolarHBondContact O-N 2.85Å; N14-T18 PolarHBondContact O-OG1 2.77Å
15E86.4Confident88Confident55 Ų5560.3 Ų60.326%0.25731%0.308SS..Hα-helixtrans-62-39.9-176.9-166.2-171139.300113.5E19 V58 R59 C62E15-E19 WeakPolarHBondContact O-CB 3.34Å; E15-E19 PolarHBondContact O-N 2.99Å; E15-V58 HydrophobicContact CG-CB 4.18Å; E15-V58 HydrophobicContact CG-CG1 4.17Å; E15-R59 WeakPolarHBondContact OE1-CA 3.5Å; E15-R59 WeakPolarHBondContact OE1-CB 3.28Å; E15-R59 WeakPolarHBondContact OE1-CD 3.41Å; E15-R59 WeakPolarHBondContact OE1-CG 3.44Å; E15-R59 IonicContact OE1-CZ 2.86Å; E15-R59 PolarHBondContact OE1-N 3.36Å; E15-R59 IonicContact OE1-NE 2.69Å; E15-R59 PolarHBondContact OE1-NE 2.88Å; E15-R59 IonicContact OE1-NH2 2.9Å; E15-R59 IonicContact OE2-NE 3.43Å; E15-C62 HydrophobicContact CG-CB 3.79Å
16E88.8Confident88.3Confident99 Ų9959.3 Ų59.346%0.46330%0.296SS..Hα-helixtrans-71.6-40.3-178.1-167.2-174.8155.200112N14 T18 E19 K20N14-E16 PolarHBondContact O-N 3.12Å; N14-E16 PolarHBondContact OD1-N 2.75Å; E16-T18 VanDerWaalsContact C-N 3.35Å; E16-E19 PolarHBondContact O-N 2.98Å; E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 2.85Å; E16-K20 WeakPolarHBondContact OE1-CE 3.03Å; E16-K20 IonicContact OE1-NZ 3.57Å; E16-K20 PolarHBondContact OE1-NZ 2.99Å
17D89.3Confident88.6Confident75 Ų7565.5 Ų65.540%0.40133%0.325SS..Hα-helixtrans-67.9-38.8176.8-67.9-31.5000110.8A13 N14 K20 L21A13-D17 HydrophobicContact CB-CB 3.9Å; N14-D17 VanDerWaalsContact CG-OD2 3.27Å; N14-D17 PolarHBondContact ND2-OD2 3Å; N14-D17 PolarHBondContact O-N 2.86Å; N14-D17 PolarHBondContact OD1-N 2.8Å; N14-D17 PolarHBondContact OD1-OD2 3.43Å; D17-K20 PolarHBondContact O-N 2.93Å; D17-L21 VanDerWaalsContact O-CB 3.24Å; D17-L21 WeakPolarHBondContact O-CB 3.42Å; D17-L21 PolarHBondContact O-N 2.67Å
18T89.4Confident88.7Confident5 Ų569 Ų693%0.03134%0.341CS..Hα-helixtrans-59.3-48.5172.5-63.90000110.8L10 A13 N14 E16 K20 L21 L22 V53L10-T18 HydrophobicContact CD2-CG2 3.71Å; A13-T18 WeakPolarHBondContact CB-OG1 3.44Å; N14-T18 WeakPolarHBondContact O-CB 3.32Å; N14-T18 PolarHBondContact O-N 2.85Å; N14-T18 PolarHBondContact O-OG1 2.77Å; E16-T18 VanDerWaalsContact C-N 3.35Å; T18-K20 PolarHBondContact O-N 2.72Å; T18-L21 PolarHBondContact O-N 2.93Å; T18-L22 HydrophobicContact CG2-CD1 3.86Å; T18-L22 HydrophobicContact CG2-CG 4.33Å; T18-L22 WeakPolarHBondContact O-CB 3.1Å; T18-L22 WeakPolarHBondContact O-CG 3.46Å; T18-L22 PolarHBondContact O-N 3.09Å; T18-V53 HydrophobicContact CG2-CG1 4.24Å; T18-V53 HydrophobicContact CG2-CG2 4.44Å
19E91.3Very high88.9Confident23 Ų2367 Ų6711%0.10732%0.324CS..Hα-helixtrans-60.1-46.5179.1-170.8-177.3141.300111.6E15 E16 R23 R59 S61E15-E19 WeakPolarHBondContact O-CB 3.34Å; E15-E19 PolarHBondContact O-N 2.99Å; E16-E19 PolarHBondContact O-N 2.98Å; E19-R23 WeakPolarHBondContact O-CB 3.27Å; E19-R23 PolarHBondContact O-N 2.78Å; E19-R23 IonicContact OE1-CZ 2.63Å; E19-R23 IonicContact OE1-NH2 2.69Å; E19-R23 PolarHBondContact OE1-NH2 3.5Å; E19-R59 IonicContact OE2-NH2 3.16Å; E19-S61 WeakPolarHBondContact OE2-CB 3.31Å; E19-S61 PolarHBondContact OE2-OG 2.87Å
20K91.9Very high89.1Confident110 Ų11064.2 Ų64.248%0.47832%0.315SS..Hα-helixtrans-62.9-44.2177.9-73.2172.2-173160.60112.3E16 D17 T18 R24E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 2.85Å; E16-K20 WeakPolarHBondContact OE1-CE 3.03Å; E16-K20 IonicContact OE1-NZ 3.57Å; E16-K20 PolarHBondContact OE1-NZ 2.99Å; D17-K20 PolarHBondContact O-N 2.93Å; T18-K20 PolarHBondContact O-N 2.72Å; K20-R24 PolarHBondContact O-N 3.32Å; K20-R24 VanDerWaalsContact O-N 3.17Å
21L92.8Very high89.2Confident19 Ų1970.9 Ų70.910%0.09935%0.346CS..Hα-helixtrans-64.5-49.1-178.1-178.363.2000111.7I6 Q9 L10 D17 T18 R24 Y25I6-L21 HydrophobicContact CG1-CD1 4.05Å; I6-L21 HydrophobicContact CG2-CD2 4.06Å; I6-L21 HydrophobicContact CG2-CG 4.14Å; Q9-L21 HydrophobicContact CB-CD2 3.68Å; L10-L21 HydrophobicContact CD2-CD2 4.14Å; L10-L21 HydrophobicContact CG-CD2 3.84Å; D17-L21 VanDerWaalsContact O-CB 3.24Å; D17-L21 WeakPolarHBondContact O-CB 3.42Å; D17-L21 PolarHBondContact O-N 2.67Å; T18-L21 PolarHBondContact O-N 2.93Å; L21-R24 PolarHBondContact O-N 3.02Å; L21-Y25 PolarHBondContact O-N 2.86Å; L21-Y25 VanDerWaalsContact O-N 3.14Å
22L92.8Very high89.6Confident0 Ų064.8 Ų64.80%032%0.32CS..Hα-helixtrans-69.2-35.2179.8-67.4-175.7000112L10 T18 R24 Y25 S26 L46 V50 T65 C66 T69L10-L22 HydrophobicContact CD1-CD2 4.07Å; L10-L22 HydrophobicContact CD2-CD1 4.4Å; L10-L22 HydrophobicContact CD2-CD2 4.13Å; L10-L22 HydrophobicContact CD2-CG 4.16Å; T18-L22 HydrophobicContact CG2-CD1 3.86Å; T18-L22 HydrophobicContact CG2-CG 4.33Å; T18-L22 WeakPolarHBondContact O-CB 3.1Å; T18-L22 WeakPolarHBondContact O-CG 3.46Å; T18-L22 PolarHBondContact O-N 3.09Å; L22-R24 PolarHBondContact O-N 3.34Å; L22-Y25 WeakPolarHBondContact O-CB 3.31Å; L22-Y25 PolarHBondContact O-N 3.38Å; L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 3.49Å; L22-L46 HydrophobicContact CD2-CD1 4.42Å; L22-V50 HydrophobicContact CD1-CG2 4.14Å; L22-V50 HydrophobicContact CD2-CG2 4.15Å; L22-T65 HydrophobicContact CB-CG2 3.68Å; L22-C66 HydrophobicContact CD1-CB 4.42Å; L22-C66 VanDerWaalsContact CD1-SG 3.54Å; L22-T69 HydrophobicContact CD2-CG2 4.23Å; L22-T69 PolarHBondContact O-OG1 2.92Å
23R93.4Very high90Very high99 Ų9966.1 Ų66.137%0.37431%0.312SS..Hα-helixtrans-58.5-48.3174-179.5175.7-61.3153.58.1111.3E19 Y25 S26 E27 T65E19-R23 WeakPolarHBondContact O-CB 3.27Å; E19-R23 PolarHBondContact O-N 2.78Å; E19-R23 IonicContact OE1-CZ 2.63Å; E19-R23 IonicContact OE1-NH2 2.69Å; E19-R23 PolarHBondContact OE1-NH2 3.5Å; R23-Y25 VanDerWaalsContact C-N 3.27Å; R23-Y25 PolarHBondContact O-N 2.85Å; R23-S26 PolarHBondContact O-N 3.36Å; R23-E27 WeakPolarHBondContact CG-OE1 3.28Å; R23-E27 WeakPolarHBondContact O-CG 3.14Å; R23-E27 PolarHBondContact O-N 3.27Å; R23-T65 HydrophobicContact CB-CG2 3.97Å; R23-T65 VanDerWaalsContact N-CG2 3.3Å
24R92.2Very high90.3Very high147 Ų14771.1 Ų71.156%0.55534%0.341SS*.Hα-helixtrans-61.8-37.7177.7-169.1-175.1170.1166.85111.6M1 K20 L21 L22 E28M1-R24 HydrophobicContact CE-CB 3.66Å; M1-R24 HydrophobicContact CE-CG 3.46Å; M1-R24 VanDerWaalsContact CE-CG 3.46Å; M1-R24 HydrophobicContact SD-CB 4.44Å; M1-R24 WeakPolarHBondContact SD-CD 3.46Å; M1-R24 HydrophobicContact SD-CG 3.96Å; K20-R24 PolarHBondContact O-N 3.32Å; K20-R24 VanDerWaalsContact O-N 3.17Å; L21-R24 PolarHBondContact O-N 3.02Å; L22-R24 PolarHBondContact O-N 3.34Å; R24-E28 IonicContact NE-OE1 3.35Å; R24-E28 WeakPolarHBondContact O-CG 3.5Å; R24-E28 PolarHBondContact O-N 3.42Å
25Y92.4Very high90.4Very high8 Ų868.5 Ų68.53%0.03133%0.325CS..Hα-helixtrans-64.6-46.2175178.2-93.5000111.6M1 L3 I6 L21 L22 R23 E28 N29 L46 T69 L73M1-Y25 VanDerWaalsContact CE-CA 3.47Å; L3-Y25 HydrophobicContact CD2-CE2 3.82Å; I6-Y25 HydrophobicContact CD1-CD2 3.52Å; I6-Y25 HydrophobicContact CD1-CE2 4.33Å; I6-Y25 HydrophobicContact CD1-CG 4.23Å; L21-Y25 PolarHBondContact O-N 2.86Å; L21-Y25 VanDerWaalsContact O-N 3.14Å; L22-Y25 WeakPolarHBondContact O-CB 3.31Å; L22-Y25 PolarHBondContact O-N 3.38Å; R23-Y25 VanDerWaalsContact C-N 3.27Å; R23-Y25 PolarHBondContact O-N 2.85Å; Y25-E28 PolarHBondContact O-N 2.73Å; Y25-N29 HydrophobicContact CE1-CB 4.45Å; Y25-N29 WeakPolarHBondContact CE2-ND2 2.97Å; Y25-N29 WeakPolarHBondContact O-CB 3.16Å; Y25-N29 PolarHBondContact O-N 2.92Å; Y25-N29 VanDerWaalsContact O-N 3.13Å; Y25-N29 PolarHBondContact O-ND2 3.37Å; Y25-L46 HydrophobicContact CE1-CD2 4.21Å; Y25-L46 HydrophobicContact CE2-CD2 4.28Å; Y25-T69 HydrophobicContact CD1-CG2 3.74Å; Y25-T69 HydrophobicContact CE1-CG2 3.93Å; Y25-L73 HydrophobicContact CE1-CD2 4.4Å; Y25-L73 WeakPolarHBondContact OH-CD2 3.5Å
26S92.1Very high90.4Very high5 Ų569.6 Ų69.64%0.03533%0.333CS..Hα-helixtrans-60.8-44.9178.2-66.60000111.5L22 R23 E28 N29 T30 T69L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 3.49Å; R23-S26 PolarHBondContact O-N 3.36Å; S26-E28 PolarHBondContact O-N 3.23Å; S26-N29 CarbonylContact O-C 3.55Å; S26-N29 PolarHBondContact O-N 2.89Å; S26-T30 WeakPolarHBondContact O-CA 3.29Å; S26-T30 WeakPolarHBondContact O-CB 3.49Å; S26-T30 PolarHBondContact O-N 3.46Å; S26-T30 PolarHBondContact O-OG1 3.03Å; S26-T69 PolarHBondContact OG-N 3.21Å; S26-T69 PolarHBondContact OG-OG1 2.87Å
27E92Very high90.3Very high133 Ų13372.7 Ų72.762%0.62135%0.347SS*.Hα-helixtrans-58.7-44.6177.5-74.2169.9-176.400112.2R23 N29R23-E27 WeakPolarHBondContact CG-OE1 3.28Å; R23-E27 WeakPolarHBondContact O-CG 3.14Å; R23-E27 PolarHBondContact O-N 3.27Å; E27-N29 VanDerWaalsContact C-N 3.3Å; E27-N29 PolarHBondContact O-N 3.36Å
28E91.1Very high90.3Very high90 Ų9078.3 Ų78.342%0.42137%0.368SS..Hα-helixtrans-68.1-27.3178.4-71.9178.2-168.800113.1M1 R24 Y25 S26M1-E28 WeakPolarHBondContact CG-OE1 3.3Å; M1-E28 WeakPolarHBondContact CG-OE2 3.21Å; M1-E28 PolarHBondContact N-OE2 3.13Å; R24-E28 IonicContact NE-OE1 3.35Å; R24-E28 WeakPolarHBondContact O-CG 3.5Å; R24-E28 PolarHBondContact O-N 3.42Å; Y25-E28 PolarHBondContact O-N 2.73Å; S26-E28 PolarHBondContact O-N 3.23Å
29N91Very high90.3Very high32 Ų3281.6 Ų81.617%0.17138%0.383CS..Hα-helixtrans-116.87.5-170.2-64.4-82.6000114.7Y25 S26 E27 Q31 T32 I72Y25-N29 HydrophobicContact CE1-CB 4.45Å; Y25-N29 WeakPolarHBondContact CE2-ND2 2.97Å; Y25-N29 WeakPolarHBondContact O-CB 3.16Å; Y25-N29 PolarHBondContact O-N 2.92Å; Y25-N29 VanDerWaalsContact O-N 3.13Å; Y25-N29 PolarHBondContact O-ND2 3.37Å; S26-N29 CarbonylContact O-C 3.55Å; S26-N29 PolarHBondContact O-N 2.89Å; E27-N29 VanDerWaalsContact C-N 3.3Å; E27-N29 PolarHBondContact O-N 3.36Å; N29-Q31 PolarHBondContact O-N 2.89Å; N29-Q31 VanDerWaalsContact O-N 3.15Å; N29-T32 WeakPolarHBondContact CA-OG1 3.36Å; N29-T32 WeakPolarHBondContact O-CB 3.31Å; N29-T32 PolarHBondContact O-N 3.4Å; N29-T32 PolarHBondContact O-OG1 3.49Å; N29-I72 HydrophobicContact CB-CG2 3.94Å; N29-I72 WeakPolarHBondContact O-CG2 3.29Å
30T89.7Confident90.3Very high53 Ų5384.1 Ų84.133%0.32540%0.395SS..THydrogen-bonded Turntrans-57.7-35.1-174.2-73.70000112.8S26 R75S26-T30 WeakPolarHBondContact O-CA 3.29Å; S26-T30 WeakPolarHBondContact O-CB 3.49Å; S26-T30 PolarHBondContact O-N 3.46Å; S26-T30 PolarHBondContact O-OG1 3.03Å; T30-R75 PolarHBondContact O-NH1 2.99Å; T30-R75 PolarHBondContact O-NH2 3.33Å
31Q89.6Confident90.3Very high153 Ų15382.2 Ų82.272%0.71540%0.399SS*.THydrogen-bonded Turntrans-10112.4179.6-61-62.6-17.800113.3N29 F33N29-Q31 PolarHBondContact O-N 2.89Å; N29-Q31 VanDerWaalsContact O-N 3.15Å; Q31-F33 WeakPolarHBondContact O-CD2 3.28Å
32T88.9Confident90.3Very high35 Ų3582.9 Ų82.922%0.21540%0.403CS..  trans-81.4123.7179.1-55.20000110.4N29 T34 F35 R75N29-T32 WeakPolarHBondContact CA-OG1 3.36Å; N29-T32 WeakPolarHBondContact O-CB 3.31Å; N29-T32 PolarHBondContact O-N 3.4Å; N29-T32 PolarHBondContact O-OG1 3.49Å; T32-T34 WeakPolarHBondContact CG2-O 3.3Å; T32-F35 HydrophobicContact CG2-CD1 3.97Å; T32-F35 HydrophobicContact CG2-CE1 3.71Å; T32-F35 HydrophobicContact CG2-CZ 4.03Å; T32-R75 WeakPolarHBondContact O-CD 3.3Å; T32-R75 PolarHBondContact O-NH1 2.96Å
33F88.6Confident90.3Very high134 Ų13483.1 Ų83.159%0.58840%0.404SS*.  trans-121.1-13.2174.5-66.2-86.5000113.2Q31Q31-F33 WeakPolarHBondContact O-CD2 3.28Å
34T86.6Confident90.3Very high129 Ų12980 Ų8079%0.79140%0.398SS*.SBendtrans-120.4126.3177.5-54.80000108.7T32T32-T34 WeakPolarHBondContact CG2-O 3.3Å
35F88.3Confident90.4Very high34 Ų3479.2 Ų79.215%0.14940%0.398CS..  trans-114.9148.8-174.3-61.1-90.5000111.9T32 Q37 I72 R75 D76T32-F35 HydrophobicContact CG2-CD1 3.97Å; T32-F35 HydrophobicContact CG2-CE1 3.71Å; T32-F35 HydrophobicContact CG2-CZ 4.03Å; F35-Q37 PolarHBondContact O-N 2.91Å; F35-I72 HydrophobicContact CE1-CG2 4.47Å; F35-I72 HydrophobicContact CZ-CG2 4.34Å; F35-R75 HydrophobicContact CE2-CB 3.92Å; F35-R75 HydrophobicContact CZ-CB 4.3Å; F35-D76 HydrophobicContact CD2-CB 3.63Å; F35-D76 HydrophobicContact CE2-CB 3.92Å; F35-D76 HydrophobicContact CG-CB 4.12Å
36N86.8Confident90.5Very high78 Ų7878.9 Ų78.942%0.41740%0.397SS..  trans-72.2120178.3-177.1-3.9000110.6K38 E39 R43N36-K38 PolarHBondContact O-N 3.32Å; N36-K38 WeakPolarHBondContact OD1-CB 3.26Å; N36-K38 PolarHBondContact OD1-N 2.91Å; N36-E39 PolarHBondContact O-N 3.24Å; N36-E39 VanDerWaalsContact O-N 3.15Å; N36-R43 PolarHBondContact O-NH1 3.32Å; N36-R43 PolarHBondContact O-NH2 3.27Å
37Q87.2Confident90.7Very high165 Ų16578.7 Ų78.777%0.77140%0.395SS*.G310 helixtrans-59.8-30.2179.8-69.8178.2-4.600113.1F35 E39 E40F35-Q37 PolarHBondContact O-N 2.91Å; Q37-E39 PolarHBondContact O-N 3.32Å; Q37-E39 VanDerWaalsContact O-N 3.17Å; Q37-E40 WeakPolarHBondContact O-CB 3.48Å; Q37-E40 PolarHBondContact O-N 3.35Å
38K87.8Confident90.8Very high192 Ų19276.7 Ų76.784%0.83539%0.386SS*.G310 helixtrans-65.1-21.5-180-63.8-178.11791790113.5N36N36-K38 PolarHBondContact O-N 3.32Å; N36-K38 WeakPolarHBondContact OD1-CB 3.26Å; N36-K38 PolarHBondContact OD1-N 2.91Å
39E89.7Confident90.9Very high74 Ų7473.9 Ų73.935%0.34638%0.377SS..G310 helixtrans-102.86.1-176.9-71.4171.1176.900112.8L3 N36 Q37 A41 L42 R43L3-E39 HydrophobicContact CD1-CB 3.83Å; L3-E39 HydrophobicContact CD1-CG 4.1Å; N36-E39 PolarHBondContact O-N 3.24Å; N36-E39 VanDerWaalsContact O-N 3.15Å; Q37-E39 PolarHBondContact O-N 3.32Å; Q37-E39 VanDerWaalsContact O-N 3.17Å; E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 3.47Å; E39-L42 PolarHBondContact O-N 3.15Å; E39-R43 PolarHBondContact O-N 2.92Å; E39-R43 IonicContact OE2-NH1 3.56Å
40E90.7Very high91.1Very high77 Ų7772.4 Ų72.436%0.3637%0.368SS..Hα-helixtrans-54.4-47.6-177-175.4-177.2119.600112.4Q37 L42 R43 S44 C78 V79Q37-E40 WeakPolarHBondContact O-CB 3.48Å; Q37-E40 PolarHBondContact O-N 3.35Å; E40-L42 VanDerWaalsContact C-N 3.28Å; E40-L42 PolarHBondContact O-N 2.9Å; E40-R43 PolarHBondContact O-N 3.46Å; E40-S44 WeakPolarHBondContact O-CB 3.43Å; E40-S44 PolarHBondContact O-N 3.01Å; E40-C78 HydrophobicContact CG-CB 4.01Å; E40-C78 WeakPolarHBondContact OE2-CB 3.31Å; E40-V79 HydrophobicContact CG-CG1 3.86Å
41A91.8Very high91.2Very high69 Ų6970.4 Ų70.457%0.5736%0.356SS*.Hα-helixtrans-61.6-36178.600000112.6E39 K45E39-A41 VanDerWaalsContact C-N 3.34Å; E39-A41 PolarHBondContact O-N 3.47Å; A41-K45 WeakPolarHBondContact O-CG 3.34Å; A41-K45 PolarHBondContact O-N 2.94Å; A41-K45 VanDerWaalsContact O-N 3.08Å
42L92.8Very high91.4Very high33 Ų3366.1 Ų66.117%0.17334%0.34CS..Hα-helixtrans-72.5-41.1177.9-61.7177.6000111.3L3 N4 L7 E39 E40 K45 L46L3-L42 HydrophobicContact CB-CB 4.06Å; L3-L42 HydrophobicContact CB-CD1 4.1Å; L3-L42 HydrophobicContact CD1-CB 4.22Å; N4-L42 WeakPolarHBondContact OD1-CD2 3.31Å; L7-L42 HydrophobicContact CD1-CB 4.29Å; L7-L42 HydrophobicContact CD1-CD2 4.01Å; E39-L42 PolarHBondContact O-N 3.15Å; E40-L42 VanDerWaalsContact C-N 3.28Å; E40-L42 PolarHBondContact O-N 2.9Å; L42-K45 PolarHBondContact O-N 2.92Å; L42-L46 PolarHBondContact O-N 3.49Å
43R94.1Very high91.5Very high5 Ų565.1 Ų65.12%0.01933%0.334CS..Hα-helixtrans-65.1-38.2174.4-73.7-164.5-58.5-75.7-1.5112.6L3 N36 E39 E40 L46 C47 L73 D76 V79L3-R43 HydrophobicContact CD1-CG 3.91Å; N36-R43 PolarHBondContact O-NH1 3.32Å; N36-R43 PolarHBondContact O-NH2 3.27Å; E39-R43 PolarHBondContact O-N 2.92Å; E39-R43 IonicContact OE2-NH1 3.56Å; E40-R43 PolarHBondContact O-N 3.46Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 PolarHBondContact O-N 3.29Å; R43-C47 PolarHBondContact O-N 3.42Å; R43-C47 PolarHBondContact O-SG 2.82Å; R43-L73 HydrophobicContact CB-CD2 4.14Å; R43-L73 HydrophobicContact CG-CD2 4.09Å; R43-D76 IonicContact CZ-OD2 3.94Å; R43-D76 VanDerWaalsContact CZ-OD2 3.26Å; R43-D76 IonicContact NE-OD2 2.64Å; R43-D76 PolarHBondContact NE-OD2 3.05Å; R43-D76 IonicContact NH2-OD2 2.67Å; R43-D76 PolarHBondContact NH2-OD2 2.62Å; R43-V79 HydrophobicContact CB-CB 4.35Å; R43-V79 HydrophobicContact CB-CG1 3.77Å
44S94.1Very high91.6Very high35 Ų3559 Ų5925%0.24531%0.308CS..Hα-helixtrans-62.5-45.5174.1-176.20000111.1E40 L46 C47 Q48 P82E40-S44 WeakPolarHBondContact O-CB 3.43Å; E40-S44 PolarHBondContact O-N 3.01Å; S44-L46 VanDerWaalsContact C-N 3.3Å; S44-L46 PolarHBondContact O-N 3.48Å; S44-C47 WeakPolarHBondContact O-CB 3.37Å; S44-C47 PolarHBondContact O-N 3.22Å; S44-Q48 PolarHBondContact O-N 2.86Å; S44-Q48 VanDerWaalsContact O-N 3.14Å; S44-P82 WeakPolarHBondContact OG-CG 3.36Å
45K94.1Very high91.7Very high130 Ų13055.6 Ų55.657%0.56530%0.297SS*.Hα-helixtrans-59.2-40.5171.2-74-179.9-179.4-174.20112.4L7 A41 L42 C47 Q48 S49L7-K45 HydrophobicContact CD1-CB 4.06Å; L7-K45 HydrophobicContact CD2-CB 4.17Å; A41-K45 WeakPolarHBondContact O-CG 3.34Å; A41-K45 PolarHBondContact O-N 2.94Å; A41-K45 VanDerWaalsContact O-N 3.08Å; L42-K45 PolarHBondContact O-N 2.92Å; K45-C47 VanDerWaalsContact C-N 3.34Å; K45-C47 PolarHBondContact O-N 2.88Å; K45-Q48 WeakPolarHBondContact O-CB 3.3Å; K45-Q48 PolarHBondContact O-N 3.04Å; K45-S49 PolarHBondContact O-N 3.37Å; K45-S49 PolarHBondContact O-OG 3.42Å
46L94.4Very high91.6Very high0 Ų061.1 Ų61.10%032%0.317CS..Hα-helixtrans-62.2-41.2177.3-176.660.2000111.5L3 I6 L7 L10 L22 Y25 L42 R43 S44 Q48 S49 V50 L73L3-L46 HydrophobicContact CD2-CD2 3.77Å; I6-L46 HydrophobicContact CG2-CD1 4.01Å; L7-L46 HydrophobicContact CD2-CB 4Å; L7-L46 HydrophobicContact CD2-CD1 4.11Å; L10-L46 HydrophobicContact CD1-CD1 3.4Å; L22-L46 HydrophobicContact CD2-CD1 4.42Å; Y25-L46 HydrophobicContact CE1-CD2 4.21Å; Y25-L46 HydrophobicContact CE2-CD2 4.28Å; L42-L46 PolarHBondContact O-N 3.49Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 PolarHBondContact O-N 3.29Å; S44-L46 VanDerWaalsContact C-N 3.3Å; S44-L46 PolarHBondContact O-N 3.48Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; L46-Q48 PolarHBondContact O-N 2.97Å; L46-S49 PolarHBondContact O-N 2.64Å; L46-V50 HydrophobicContact CD1-CG2 4.08Å; L46-V50 HydrophobicContact CG-CG2 4.36Å; L46-V50 WeakPolarHBondContact O-CB 3.45Å; L46-V50 VanDerWaalsContact O-CG2 3.25Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 2.78Å; L46-L73 HydrophobicContact CB-CD1 4.35Å; L46-L73 HydrophobicContact CD2-CD1 3.93Å; L46-L73 HydrophobicContact CD2-CD2 4.39Å; L46-L73 HydrophobicContact CG-CD1 3.9Å
47C95.1Very high91.4Very high1 Ų167.2 Ų67.21%0.00734%0.343CS..Hα-helixtrans-57.6-46.5173.5-650000111.6R43 S44 K45 V50 L51 L70 P82 V83R43-C47 PolarHBondContact O-N 3.42Å; R43-C47 PolarHBondContact O-SG 2.82Å; S44-C47 WeakPolarHBondContact O-CB 3.37Å; S44-C47 PolarHBondContact O-N 3.22Å; K45-C47 VanDerWaalsContact C-N 3.34Å; K45-C47 PolarHBondContact O-N 2.88Å; C47-V50 PolarHBondContact O-N 3.16Å; C47-L51 WeakPolarHBondContact O-CB 3.26Å; C47-L51 WeakPolarHBondContact O-CG 3.34Å; C47-L51 PolarHBondContact O-N 2.82Å; C47-L70 HydrophobicContact CB-CD1 4.21Å; C47-P82 HydrophobicContact CB-CB 4.35Å; C47-V83 HydrophobicContact CB-CG2 4.04Å
48Q94.6Very high91.4Very high92 Ų9260.4 Ų60.443%0.4331%0.313SS..Hα-helixtrans-62.1-45.4178-176.264.651.200112S44 K45 L46 L51 T52 P82S44-Q48 PolarHBondContact O-N 2.86Å; S44-Q48 VanDerWaalsContact O-N 3.14Å; K45-Q48 WeakPolarHBondContact O-CB 3.3Å; K45-Q48 PolarHBondContact O-N 3.04Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; L46-Q48 PolarHBondContact O-N 2.97Å; Q48-L51 PolarHBondContact O-N 3.28Å; Q48-T52 WeakPolarHBondContact O-CB 3.45Å; Q48-T52 PolarHBondContact O-N 2.91Å; Q48-T52 PolarHBondContact O-OG1 3.08Å; Q48-P82 HydrophobicContact CB-CB 4.03Å; Q48-P82 HydrophobicContact CB-CG 4.33Å
49S93.5Very high91.5Very high31 Ų3156.9 Ų56.922%0.21730%0.295CS..Hα-helixtrans-63.8-44.9179.3-62.80000111.6K45 L46 L51 T52 V53K45-S49 PolarHBondContact O-N 3.37Å; K45-S49 PolarHBondContact O-OG 3.42Å; L46-S49 PolarHBondContact O-N 2.64Å; S49-L51 PolarHBondContact O-N 3.05Å; S49-T52 WeakPolarHBondContact O-CB 3.46Å; S49-T52 PolarHBondContact O-N 3.39Å; S49-V53 WeakPolarHBondContact O-CG2 3.27Å; S49-V53 PolarHBondContact O-N 3.46Å
50V94.3Very high91.6Very high0 Ų055 Ų550%029%0.288CS..Hα-helixtrans-62.4-42.8177.3172.90000111.1L22 L46 C47 T52 V53 L54 C66 T69 L70L22-V50 HydrophobicContact CD1-CG2 4.14Å; L22-V50 HydrophobicContact CD2-CG2 4.15Å; L46-V50 HydrophobicContact CD1-CG2 4.08Å; L46-V50 HydrophobicContact CG-CG2 4.36Å; L46-V50 WeakPolarHBondContact O-CB 3.45Å; L46-V50 VanDerWaalsContact O-CG2 3.25Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 2.78Å; C47-V50 PolarHBondContact O-N 3.16Å; V50-T52 VanDerWaalsContact C-N 3.31Å; V50-T52 PolarHBondContact O-N 3.49Å; V50-V53 PolarHBondContact O-N 3.13Å; V50-L54 HydrophobicContact CG1-CD1 4.2Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 2.7Å; V50-C66 HydrophobicContact CG1-CB 3.8Å; V50-C66 WeakPolarHBondContact CG1-O 3.04Å; V50-T69 HydrophobicContact CG2-CG2 4.19Å; V50-L70 HydrophobicContact CB-CD1 4.04Å; V50-L70 HydrophobicContact CG1-CB 4.31Å; V50-L70 HydrophobicContact CG1-CD1 3.87Å
51L93.4Very high91.6Very high11 Ų1152.9 Ų52.96%0.05828%0.282CS..Hα-helixtrans-62.5-38.3174.2-81.6172000113C47 Q48 S49 V53 L54 G55 L70 V83 L92C47-L51 WeakPolarHBondContact O-CB 3.26Å; C47-L51 WeakPolarHBondContact O-CG 3.34Å; C47-L51 PolarHBondContact O-N 2.82Å; Q48-L51 PolarHBondContact O-N 3.28Å; S49-L51 PolarHBondContact O-N 3.05Å; L51-V53 VanDerWaalsContact C-N 3.27Å; L51-V53 PolarHBondContact O-N 3.29Å; L51-L54 HydrophobicContact CD2-CD1 4.47Å; L51-L54 PolarHBondContact O-N 2.91Å; L51-G55 PolarHBondContact O-N 3.42Å; L51-L70 HydrophobicContact CD2-CD2 3.84Å; L51-L70 HydrophobicContact CG-CD1 4.43Å; L51-L70 HydrophobicContact CG-CD2 4.14Å; L51-V83 HydrophobicContact CD1-CB 3.96Å; L51-V83 HydrophobicContact CD1-CG1 4.16Å; L51-V83 HydrophobicContact CD1-CG2 3.75Å; L51-L92 HydrophobicContact CD2-CG 4.49Å
52T92Very high91.6Very high64 Ų6449.6 Ų49.639%0.39326%0.255SS..Hα-helixtrans-63.6-36.2176.7-55.30000111.1Q48 S49 V50 R56Q48-T52 WeakPolarHBondContact O-CB 3.45Å; Q48-T52 PolarHBondContact O-N 2.91Å; Q48-T52 PolarHBondContact O-OG1 3.08Å; S49-T52 WeakPolarHBondContact O-CB 3.46Å; S49-T52 PolarHBondContact O-N 3.39Å; V50-T52 VanDerWaalsContact C-N 3.31Å; V50-T52 PolarHBondContact O-N 3.49Å; T52-R56 WeakPolarHBondContact O-CG 3.47Å
53V91.9Very high91.6Very high13 Ų1349.7 Ų49.78%0.07926%0.255CS..Hα-helixtrans-68.2-45.1172.8176.20000110.9T18 S49 V50 L51 G55 R56 V58T18-V53 HydrophobicContact CG2-CG1 4.24Å; T18-V53 HydrophobicContact CG2-CG2 4.44Å; S49-V53 WeakPolarHBondContact O-CG2 3.27Å; S49-V53 PolarHBondContact O-N 3.46Å; V50-V53 PolarHBondContact O-N 3.13Å; L51-V53 VanDerWaalsContact C-N 3.27Å; L51-V53 PolarHBondContact O-N 3.29Å; V53-G55 VanDerWaalsContact C-N 3.26Å; V53-G55 PolarHBondContact O-N 3.16Å; V53-R56 WeakPolarHBondContact O-CB 3.38Å; V53-R56 PolarHBondContact O-N 3.34Å; V53-V58 HydrophobicContact CG1-CG1 4.21Å
54L91.7Very high91.6Very high7 Ų752.4 Ų52.44%0.03727%0.267CS..Hα-helixtrans-63.2-29.7178.2-74172.7000113.5V50 L51 R56 Q63 C66 L67 L70 V91 L95V50-L54 HydrophobicContact CG1-CD1 4.2Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 2.7Å; L51-L54 HydrophobicContact CD2-CD1 4.47Å; L51-L54 PolarHBondContact O-N 2.91Å; L54-R56 PolarHBondContact O-N 2.72Å; L54-Q63 HydrophobicContact CD2-CB 4.28Å; L54-C66 HydrophobicContact CD1-CB 4.14Å; L54-C66 HydrophobicContact CD2-CB 3.49Å; L54-C66 VanDerWaalsContact CD2-CB 3.49Å; L54-C66 HydrophobicContact CG-CB 3.71Å; L54-L67 HydrophobicContact CD1-CD2 3.83Å; L54-L67 HydrophobicContact CD1-CG 4.29Å; L54-L67 HydrophobicContact CD2-CD2 4.45Å; L54-L67 HydrophobicContact CD2-CG 4.17Å; L54-L70 HydrophobicContact CD1-CD2 4.32Å; L54-V91 HydrophobicContact CB-CG1 3.84Å; L54-L95 HydrophobicContact CB-CD1 4.37Å; L54-L95 HydrophobicContact CD2-CD1 3.9Å
55G87.2Confident91.6Very high56 Ų5650.9 Ų50.958%0.57726%0.256SS*.THydrogen-bonded Turntrans-71.7-11.5173.200000114.1L51 V53L51-G55 PolarHBondContact O-N 3.42Å; V53-G55 VanDerWaalsContact C-N 3.26Å; V53-G55 PolarHBondContact O-N 3.16Å
56R87.5Confident91.7Very high150 Ų15044.7 Ų44.757%0.56623%0.229SC*.SBendtrans-89.1155.4172.9-59.4169.6-173-178.90.7109.7T52 V53 L54 V58T52-R56 WeakPolarHBondContact O-CG 3.47Å; V53-R56 WeakPolarHBondContact O-CB 3.38Å; V53-R56 PolarHBondContact O-N 3.34Å; L54-R56 PolarHBondContact O-N 2.72Å; R56-V58 HydrophobicContact CB-CG1 4.2Å; R56-V58 PolarHBondContact O-N 3.1Å
57Q81Confident91.8Very high206 Ų20644.7 Ų44.796%0.96323%0.229SC*.  trans-7490.7169.8-68.6-173.3-2.900109.6
58V87.8Confident91.8Very high22 Ų2246.5 Ų46.513%0.13324%0.238CC..  trans-110.1160.6175.7-65.30000111.1E15 V53 R56 C62 Q63E15-V58 HydrophobicContact CG-CB 4.18Å; E15-V58 HydrophobicContact CG-CG1 4.17Å; V53-V58 HydrophobicContact CG1-CG1 4.21Å; R56-V58 HydrophobicContact CB-CG1 4.2Å; R56-V58 PolarHBondContact O-N 3.1Å; V58-C62 HydrophobicContact CB-CB 4.28Å; V58-C62 HydrophobicContact CG2-CB 4.38Å; V58-Q63 HydrophobicContact CG2-CG 3.61Å
59R90.9Very high91.9Very high119 Ų11942.1 Ų42.145%0.44922%0.217SC..  trans-64.9153.8-179.1-59.8173-62.8169.76.8111.6E15 E19 S61 C62 Q63E15-R59 WeakPolarHBondContact OE1-CA 3.5Å; E15-R59 WeakPolarHBondContact OE1-CB 3.28Å; E15-R59 WeakPolarHBondContact OE1-CD 3.41Å; E15-R59 WeakPolarHBondContact OE1-CG 3.44Å; E15-R59 IonicContact OE1-CZ 2.86Å; E15-R59 PolarHBondContact OE1-N 3.36Å; E15-R59 IonicContact OE1-NE 2.69Å; E15-R59 PolarHBondContact OE1-NE 2.88Å; E15-R59 IonicContact OE1-NH2 2.9Å; E15-R59 IonicContact OE2-NE 3.43Å; E19-R59 IonicContact OE2-NH2 3.16Å; R59-S61 PolarHBondContact O-N 3.01Å; R59-S61 VanDerWaalsContact O-N 3.15Å; R59-C62 PolarHBondContact O-N 3.34Å; R59-Q63 WeakPolarHBondContact O-CG 3.49Å; R59-Q63 PolarHBondContact O-N 3.3Å
60P90.4Very high92Very high33 Ų3340.8 Ų40.821%0.21421%0.207CC..Hα-helixtrans-53.6-34.9178.3-29.436.6000114.7C62 Q63 K64 E119 E120 V123P60-C62 PolarHBondContact O-N 3.45Å; P60-Q63 PolarHBondContact O-N 2.74Å; P60-K64 WeakPolarHBondContact O-CB 3.5Å; P60-K64 PolarHBondContact O-N 2.98Å; P60-E119 HydrophobicContact CB-CB 3.97Å; P60-E120 HydrophobicContact CG-CG 4.24Å; P60-V123 HydrophobicContact CB-CG2 4.09Å; P60-V123 VanDerWaalsContact O-CG2 3.28Å; P60-V123 WeakPolarHBondContact O-CG2 3.33Å
61S90.6Very high92.1Very high34 Ų3443.5 Ų43.524%0.23822%0.218CC..Hα-helixtrans-60-46.1175.8630000112.2E19 R59 K64 T65E19-S61 WeakPolarHBondContact OE2-CB 3.31Å; E19-S61 PolarHBondContact OE2-OG 2.87Å; R59-S61 PolarHBondContact O-N 3.01Å; R59-S61 VanDerWaalsContact O-N 3.15Å; S61-K64 PolarHBondContact O-N 3.11Å; S61-T65 PolarHBondContact O-N 3.11Å; S61-T65 VanDerWaalsContact O-N 3.15Å; S61-T65 PolarHBondContact O-OG1 3Å
62C92.4Very high92.2Very high0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-69.6-41.2178.6-169.20000111E15 V58 R59 P60 K64 T65 C66E15-C62 HydrophobicContact CG-CB 3.79Å; V58-C62 HydrophobicContact CB-CB 4.28Å; V58-C62 HydrophobicContact CG2-CB 4.38Å; R59-C62 PolarHBondContact O-N 3.34Å; P60-C62 PolarHBondContact O-N 3.45Å; C62-K64 VanDerWaalsContact C-N 3.34Å; C62-K64 PolarHBondContact O-N 3.43Å; C62-T65 PolarHBondContact O-N 3.06Å; C62-C66 WeakPolarHBondContact O-CB 3.24Å; C62-C66 PolarHBondContact O-N 3.38Å; C62-C66 PolarHBondContact O-SG 3.24Å
63Q93.7Very high92.3Very high34 Ų3440 Ų4016%0.15920%0.196CC..Hα-helixtrans-56.6-48.7174-65.2179.2-32.900111.3L54 V58 R59 P60 T65 C66 L67 V123L54-Q63 HydrophobicContact CD2-CB 4.28Å; V58-Q63 HydrophobicContact CG2-CG 3.61Å; R59-Q63 WeakPolarHBondContact O-CG 3.49Å; R59-Q63 PolarHBondContact O-N 3.3Å; P60-Q63 PolarHBondContact O-N 2.74Å; Q63-T65 PolarHBondContact O-N 3.44Å; Q63-C66 WeakPolarHBondContact O-CB 3.36Å; Q63-C66 PolarHBondContact O-N 2.84Å; Q63-L67 WeakPolarHBondContact O-CB 3.48Å; Q63-L67 VanDerWaalsContact O-CG 3.27Å; Q63-L67 WeakPolarHBondContact O-CG 3.22Å; Q63-L67 PolarHBondContact O-N 2.85Å; Q63-V123 HydrophobicContact CB-CG1 4.03Å; Q63-V123 HydrophobicContact CB-CG2 3.93Å
64K94Very high92.4Very high62 Ų6239.4 Ų39.427%0.2719%0.193SC..Hα-helixtrans-58.2-49.7179-172.6-168.9-179.7-1160111.3P60 S61 C62 C66 L67 E68 R122 V123P60-K64 WeakPolarHBondContact O-CB 3.5Å; P60-K64 PolarHBondContact O-N 2.98Å; S61-K64 PolarHBondContact O-N 3.11Å; C62-K64 VanDerWaalsContact C-N 3.34Å; C62-K64 PolarHBondContact O-N 3.43Å; K64-C66 VanDerWaalsContact C-N 3.33Å; K64-C66 PolarHBondContact O-N 2.95Å; K64-L67 PolarHBondContact O-N 3.33Å; K64-E68 VanDerWaalsContact CE-OE1 3.23Å; K64-E68 WeakPolarHBondContact CE-OE1 3.33Å; K64-E68 IonicContact NZ-OE1 3.69Å; K64-E68 PolarHBondContact NZ-OE1 2.88Å; K64-E68 WeakPolarHBondContact O-CG 3.22Å; K64-E68 PolarHBondContact O-N 3.1Å; K64-R122 HydrophobicContact CD-CB 4.21Å; K64-V123 HydrophobicContact CB-CG2 4.12Å
65T94.3Very high92.5Very high4 Ų441.2 Ų41.23%0.02520%0.199CC..Hα-helixtrans-64.2-38.6179.9-62.90000112.1L22 R23 S61 C62 Q63 E68 T69L22-T65 HydrophobicContact CB-CG2 3.68Å; R23-T65 HydrophobicContact CB-CG2 3.97Å; R23-T65 VanDerWaalsContact N-CG2 3.3Å; S61-T65 PolarHBondContact O-N 3.11Å; S61-T65 VanDerWaalsContact O-N 3.15Å; S61-T65 PolarHBondContact O-OG1 3Å; C62-T65 PolarHBondContact O-N 3.06Å; Q63-T65 PolarHBondContact O-N 3.44Å; T65-E68 PolarHBondContact O-N 3.43Å; T65-T69 PolarHBondContact O-N 3.06Å; T65-T69 VanDerWaalsContact O-N 3.07Å; T65-T69 PolarHBondContact O-OG1 3.21Å
66C95.7Very high92.8Very high0 Ų039.3 Ų39.30%018%0.176CC..Hα-helixtrans-60.5-46.3172.8-71.80000111.7L22 V50 L54 C62 Q63 K64 T69 L70L22-C66 HydrophobicContact CD1-CB 4.42Å; L22-C66 VanDerWaalsContact CD1-SG 3.54Å; V50-C66 HydrophobicContact CG1-CB 3.8Å; V50-C66 WeakPolarHBondContact CG1-O 3.04Å; L54-C66 HydrophobicContact CD1-CB 4.14Å; L54-C66 HydrophobicContact CD2-CB 3.49Å; L54-C66 VanDerWaalsContact CD2-CB 3.49Å; L54-C66 HydrophobicContact CG-CB 3.71Å; C62-C66 WeakPolarHBondContact O-CB 3.24Å; C62-C66 PolarHBondContact O-N 3.38Å; C62-C66 PolarHBondContact O-SG 3.24Å; Q63-C66 WeakPolarHBondContact O-CB 3.36Å; Q63-C66 PolarHBondContact O-N 2.84Å; K64-C66 VanDerWaalsContact C-N 3.33Å; K64-C66 PolarHBondContact O-N 2.95Å; C66-T69 PolarHBondContact O-N 3.37Å; C66-L70 WeakPolarHBondContact O-CB 3.09Å; C66-L70 PolarHBondContact O-N 3.24Å
67L96.3Very high93Very high0 Ų039.5 Ų39.50%018%0.181CC..Hα-helixtrans-66.5-36.6178.5-69.1167.2000112.4L54 Q63 K64 L70 R71 L92 L95 V123 E126 A127L54-L67 HydrophobicContact CD1-CD2 3.83Å; L54-L67 HydrophobicContact CD1-CG 4.29Å; L54-L67 HydrophobicContact CD2-CD2 4.45Å; L54-L67 HydrophobicContact CD2-CG 4.17Å; Q63-L67 WeakPolarHBondContact O-CB 3.48Å; Q63-L67 VanDerWaalsContact O-CG 3.27Å; Q63-L67 WeakPolarHBondContact O-CG 3.22Å; Q63-L67 PolarHBondContact O-N 2.85Å; K64-L67 PolarHBondContact O-N 3.33Å; L67-L70 PolarHBondContact O-N 2.96Å; L67-R71 VanDerWaalsContact O-CB 3.3Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 PolarHBondContact O-N 3.49Å; L67-L92 HydrophobicContact CD2-CD2 3.57Å; L67-L95 HydrophobicContact CD1-CD1 4.34Å; L67-L95 HydrophobicContact CD2-CD1 4.17Å; L67-V123 HydrophobicContact CD1-CG1 3.76Å; L67-V123 WeakPolarHBondContact CD1-O 3.21Å; L67-E126 HydrophobicContact CB-CB 4Å; L67-E126 HydrophobicContact CB-CG 3.53Å; L67-E126 HydrophobicContact CD1-CB 4.29Å; L67-A127 HydrophobicContact CD1-CB 3.92Å; L67-A127 HydrophobicContact CD2-CB 4.25Å
68E95.4Very high93.6Very high39 Ų3932.9 Ų32.918%0.18216%0.157CC..Hα-helixtrans-60.6-46.1173-76.2170.217500111.4K64 T65 R71 I72 E126K64-E68 VanDerWaalsContact CE-OE1 3.23Å; K64-E68 WeakPolarHBondContact CE-OE1 3.33Å; K64-E68 IonicContact NZ-OE1 3.69Å; K64-E68 PolarHBondContact NZ-OE1 2.88Å; K64-E68 WeakPolarHBondContact O-CG 3.22Å; K64-E68 PolarHBondContact O-N 3.1Å; T65-E68 PolarHBondContact O-N 3.43Å; E68-R71 PolarHBondContact O-N 3.19Å; E68-I72 WeakPolarHBondContact O-CG1 3.37Å; E68-I72 PolarHBondContact O-N 3.34Å; E68-E126 VanDerWaalsContact CA-OE1 3.3Å; E68-E126 WeakPolarHBondContact CA-OE1 3.48Å; E68-E126 HydrophobicContact CG-CG 3.94Å; E68-E126 WeakPolarHBondContact CG-OE1 3.4Å
69T95.6Very high93.9Very high0 Ų031.9 Ų31.90%015%0.15CC..Hα-helixtrans-60.8-47.1174-65.30000110.8L22 Y25 S26 V50 T65 C66 R71 I72 L73L22-T69 HydrophobicContact CD2-CG2 4.23Å; L22-T69 PolarHBondContact O-OG1 2.92Å; Y25-T69 HydrophobicContact CD1-CG2 3.74Å; Y25-T69 HydrophobicContact CE1-CG2 3.93Å; S26-T69 PolarHBondContact OG-N 3.21Å; S26-T69 PolarHBondContact OG-OG1 2.87Å; V50-T69 HydrophobicContact CG2-CG2 4.19Å; T65-T69 PolarHBondContact O-N 3.06Å; T65-T69 VanDerWaalsContact O-N 3.07Å; T65-T69 PolarHBondContact O-OG1 3.21Å; C66-T69 PolarHBondContact O-N 3.37Å; T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 2.94Å; T69-I72 PolarHBondContact O-N 3.34Å; T69-L73 HydrophobicContact CG2-CD1 3.84Å; T69-L73 HydrophobicContact CG2-CG 4.43Å; T69-L73 WeakPolarHBondContact O-CG 3.29Å; T69-L73 PolarHBondContact O-N 3.3Å
70L96.2Very high94.1Very high2 Ų226.3 Ų26.31%0.0113%0.13CC..Hα-helixtrans-65.4-35.9-179.4-14974.5000111.8C47 V50 L51 L54 C66 L67 L73 S74 V83 L92C47-L70 HydrophobicContact CB-CD1 4.21Å; V50-L70 HydrophobicContact CB-CD1 4.04Å; V50-L70 HydrophobicContact CG1-CB 4.31Å; V50-L70 HydrophobicContact CG1-CD1 3.87Å; L51-L70 HydrophobicContact CD2-CD2 3.84Å; L51-L70 HydrophobicContact CG-CD1 4.43Å; L51-L70 HydrophobicContact CG-CD2 4.14Å; L54-L70 HydrophobicContact CD1-CD2 4.32Å; C66-L70 WeakPolarHBondContact O-CB 3.09Å; C66-L70 PolarHBondContact O-N 3.24Å; L67-L70 PolarHBondContact O-N 2.96Å; L70-L73 PolarHBondContact O-N 3.42Å; L70-S74 VanDerWaalsContact O-CB 3.26Å; L70-S74 WeakPolarHBondContact O-CB 3.37Å; L70-S74 PolarHBondContact O-N 2.92Å; L70-S74 PolarHBondContact O-OG 2.9Å; L70-V83 HydrophobicContact CD1-CG2 4.35Å; L70-V83 HydrophobicContact CD2-CG1 4.34Å; L70-V83 HydrophobicContact CD2-CG2 4.49Å; L70-L92 HydrophobicContact CD2-CD1 4.36Å; L70-L92 HydrophobicContact CD2-CD2 3.98Å
71R95.8Very high94.2Very high58 Ų5827.3 Ų27.322%0.21915%0.146CC..Hα-helixtrans-63.9-40.4173.6-176.9-178.159.195.10.8111.6L67 E68 T69 S74 E126 C130 N133L67-R71 VanDerWaalsContact O-CB 3.3Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 PolarHBondContact O-N 3.49Å; E68-R71 PolarHBondContact O-N 3.19Å; T69-R71 VanDerWaalsContact C-N 3.32Å; T69-R71 PolarHBondContact O-N 2.94Å; R71-S74 WeakPolarHBondContact CA-OG 3.45Å; R71-S74 PolarHBondContact O-N 3.22Å; R71-S74 PolarHBondContact O-OG 3.46Å; R71-E126 WeakPolarHBondContact CD-OE1 3.31Å; R71-E126 IonicContact CZ-OE1 3.56Å; R71-E126 IonicContact NE-OE1 2.77Å; R71-E126 PolarHBondContact NE-OE1 3.29Å; R71-E126 IonicContact NE-OE2 3.75Å; R71-E126 IonicContact NH2-OE1 3.96Å; R71-E126 PolarHBondContact NH2-OE1 2.79Å; R71-C130 HydrophobicContact CB-CB 4.41Å; R71-N133 PolarHBondContact O-ND2 2.84Å
72I95.1Very high94.4Very high1 Ų126.6 Ų26.61%0.00514%0.14CC..Hα-helixtrans-63.9-48.8174.3-68.1164000110N29 F35 E68 T69 S74 R75N29-I72 HydrophobicContact CB-CG2 3.94Å; N29-I72 WeakPolarHBondContact O-CG2 3.29Å; F35-I72 HydrophobicContact CE1-CG2 4.47Å; F35-I72 HydrophobicContact CZ-CG2 4.34Å; E68-I72 WeakPolarHBondContact O-CG1 3.37Å; E68-I72 PolarHBondContact O-N 3.34Å; T69-I72 PolarHBondContact O-N 3.34Å; I72-S74 VanDerWaalsContact C-N 3.27Å; I72-S74 PolarHBondContact O-N 3.05Å; I72-R75 WeakPolarHBondContact O-CB 3.34Å; I72-R75 WeakPolarHBondContact O-CG 3.36Å; I72-R75 PolarHBondContact O-N 3.05Å
73L94.8Very high94.5Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-62.5-34179.2-67.7169.2000112.4Y25 R43 L46 T69 L70 R75 D76Y25-L73 HydrophobicContact CE1-CD2 4.4Å; Y25-L73 WeakPolarHBondContact OH-CD2 3.5Å; R43-L73 HydrophobicContact CB-CD2 4.14Å; R43-L73 HydrophobicContact CG-CD2 4.09Å; L46-L73 HydrophobicContact CB-CD1 4.35Å; L46-L73 HydrophobicContact CD2-CD1 3.93Å; L46-L73 HydrophobicContact CD2-CD2 4.39Å; L46-L73 HydrophobicContact CG-CD1 3.9Å; T69-L73 HydrophobicContact CG2-CD1 3.84Å; T69-L73 HydrophobicContact CG2-CG 4.43Å; T69-L73 WeakPolarHBondContact O-CG 3.29Å; T69-L73 PolarHBondContact O-N 3.3Å; L70-L73 PolarHBondContact O-N 3.42Å; L73-R75 PolarHBondContact O-N 3.46Å; L73-D76 PolarHBondContact O-N 2.99Å
74S95Very high94.6Very high1 Ų125.5 Ų25.51%0.00714%0.137CC..THydrogen-bonded Turntrans-66.4-7.7179.569.80000115.1L70 R71 I72 D76 N133 N137L70-S74 VanDerWaalsContact O-CB 3.26Å; L70-S74 WeakPolarHBondContact O-CB 3.37Å; L70-S74 PolarHBondContact O-N 2.92Å; L70-S74 PolarHBondContact O-OG 2.9Å; R71-S74 WeakPolarHBondContact CA-OG 3.45Å; R71-S74 PolarHBondContact O-N 3.22Å; R71-S74 PolarHBondContact O-OG 3.46Å; I72-S74 VanDerWaalsContact C-N 3.27Å; I72-S74 PolarHBondContact O-N 3.05Å; S74-D76 VanDerWaalsContact C-N 3.28Å; S74-N133 WeakPolarHBondContact OG-CB 3.35Å; S74-N133 PolarHBondContact OG-ND2 3.37Å; S74-N133 VanDerWaalsContact OG-ND2 3.13Å; S74-N137 PolarHBondContact O-ND2 3.27Å
75R93.8Very high94.7Very high44 Ų4425.4 Ų25.417%0.16614%0.142CC..THydrogen-bonded Turntrans-73.8-22.2169.8-59.2171.7-172.5173.91.7111.9T30 T32 F35 I72 L73T30-R75 PolarHBondContact O-NH1 2.99Å; T30-R75 PolarHBondContact O-NH2 3.33Å; T32-R75 WeakPolarHBondContact O-CD 3.3Å; T32-R75 PolarHBondContact O-NH1 2.96Å; F35-R75 HydrophobicContact CE2-CB 3.92Å; F35-R75 HydrophobicContact CZ-CB 4.3Å; I72-R75 WeakPolarHBondContact O-CB 3.34Å; I72-R75 WeakPolarHBondContact O-CG 3.36Å; I72-R75 PolarHBondContact O-N 3.05Å; L73-R75 PolarHBondContact O-N 3.46Å
76D93.3Very high94.8Very high17 Ų1730.2 Ų30.29%0.09116%0.159CC..  trans-92.9104.8174.9-174.9-6.9000110F35 R43 L73 S74 C78 V79F35-D76 HydrophobicContact CD2-CB 3.63Å; F35-D76 HydrophobicContact CE2-CB 3.92Å; F35-D76 HydrophobicContact CG-CB 4.12Å; R43-D76 IonicContact CZ-OD2 3.94Å; R43-D76 VanDerWaalsContact CZ-OD2 3.26Å; R43-D76 IonicContact NE-OD2 2.64Å; R43-D76 PolarHBondContact NE-OD2 3.05Å; R43-D76 IonicContact NH2-OD2 2.67Å; R43-D76 PolarHBondContact NH2-OD2 2.62Å; L73-D76 PolarHBondContact O-N 2.99Å; S74-D76 VanDerWaalsContact C-N 3.28Å; D76-C78 PolarHBondContact O-N 3.46Å; D76-C78 VanDerWaalsContact O-N 3.16Å; D76-C78 WeakPolarHBondContact OD1-CB 3.33Å; D76-C78 PolarHBondContact OD1-N 3.21Å; D76-C78 VanDerWaalsContact OD1-N 3.09Å; D76-V79 HydrophobicContact CB-CG2 3.9Å; D76-V79 WeakPolarHBondContact O-CG2 3.45Å; D76-V79 PolarHBondContact O-N 3.23Å; D76-V79 WeakPolarHBondContact OD2-CG1 3.4Å
77K92.2Very high94.7Very high153 Ų15337.7 Ų37.767%0.66519%0.194SC*.G310 helixtrans-62.4-21.7-178.366-178.2-179.7-179.30114V79 N137K77-V79 VanDerWaalsContact C-N 3.35Å; K77-N137 HydrophobicContact CB-CB 4.13Å
78C91.9Very high94.6Very high68 Ų6838 Ų3846%0.45920%0.197SC..G310 helixtrans-78.2-19.1-176-62.20000113.3E40 D76E40-C78 HydrophobicContact CG-CB 4.01Å; E40-C78 WeakPolarHBondContact OE2-CB 3.31Å; D76-C78 PolarHBondContact O-N 3.46Å; D76-C78 VanDerWaalsContact O-N 3.16Å; D76-C78 WeakPolarHBondContact OD1-CB 3.33Å; D76-C78 PolarHBondContact OD1-N 3.21Å; D76-C78 VanDerWaalsContact OD1-N 3.09Å
79V94.1Very high94.7Very high0 Ų036.1 Ų36.10%019%0.189CC..G310 helixtrans-104.12.7-172.1-53.40000113.6E40 R43 D76 K77 G81 P82E40-V79 HydrophobicContact CG-CG1 3.86Å; R43-V79 HydrophobicContact CB-CB 4.35Å; R43-V79 HydrophobicContact CB-CG1 3.77Å; D76-V79 HydrophobicContact CB-CG2 3.9Å; D76-V79 WeakPolarHBondContact O-CG2 3.45Å; D76-V79 PolarHBondContact O-N 3.23Å; D76-V79 WeakPolarHBondContact OD2-CG1 3.4Å; K77-V79 VanDerWaalsContact C-N 3.35Å; V79-G81 VanDerWaalsContact C-N 3.33Å; V79-G81 PolarHBondContact O-N 3.14Å; V79-P82 WeakPolarHBondContact O-CD 3.39Å
80L94.9Very high94.6Very high3 Ų338.5 Ų38.52%0.01620%0.201CC..  trans-79.9-6.9-173.2-74.1-179.9000114.9V83 A84 V134 N137L80-V83 HydrophobicContact CD2-CB 4.42Å; L80-V83 HydrophobicContact CD2-CG2 4.2Å; L80-V83 PolarHBondContact O-N 3.22Å; L80-A84 WeakPolarHBondContact O-CB 3.16Å; L80-A84 PolarHBondContact O-N 2.65Å; L80-V134 HydrophobicContact CD2-CG2 3.98Å; L80-N137 HydrophobicContact CD1-CB 3.61Å
81G93.9Very high94.5Very high53 Ų5340.2 Ų40.255%0.54621%0.211SC..THydrogen-bonded Turntrans-48.7-50.2-179.200000114.4V79 V83 A84V79-G81 VanDerWaalsContact C-N 3.33Å; V79-G81 PolarHBondContact O-N 3.14Å; G81-V83 VanDerWaalsContact C-N 3.28Å; G81-V83 PolarHBondContact O-N 3.29Å; G81-A84 PolarHBondContact O-N 2.78Å
82P93.9Very high94.5Very high19 Ų1937.4 Ų37.412%0.12320%0.201CC..THydrogen-bonded Turntrans-56.3-36.4174.2-31.440000114.9S44 C47 Q48 V79 T85S44-P82 WeakPolarHBondContact OG-CG 3.36Å; C47-P82 HydrophobicContact CB-CB 4.35Å; Q48-P82 HydrophobicContact CB-CB 4.03Å; Q48-P82 HydrophobicContact CB-CG 4.33Å; V79-P82 WeakPolarHBondContact O-CD 3.39Å; P82-T85 PolarHBondContact O-OG1 3.19Å; P82-T85 VanDerWaalsContact O-OG1 3.09Å
83V95Very high94.5Very high1 Ų137.5 Ų37.51%0.00620%0.201CC..THydrogen-bonded Turntrans-81.1-37.5-177.3-167.10000112C47 L51 L70 L80 G81 T85 L92 V134C47-V83 HydrophobicContact CB-CG2 4.04Å; L51-V83 HydrophobicContact CD1-CB 3.96Å; L51-V83 HydrophobicContact CD1-CG1 4.16Å; L51-V83 HydrophobicContact CD1-CG2 3.75Å; L70-V83 HydrophobicContact CD1-CG2 4.35Å; L70-V83 HydrophobicContact CD2-CG1 4.34Å; L70-V83 HydrophobicContact CD2-CG2 4.49Å; L80-V83 HydrophobicContact CD2-CB 4.42Å; L80-V83 HydrophobicContact CD2-CG2 4.2Å; L80-V83 PolarHBondContact O-N 3.22Å; G81-V83 VanDerWaalsContact C-N 3.28Å; G81-V83 PolarHBondContact O-N 3.29Å; V83-T85 PolarHBondContact O-N 2.75Å; V83-L92 HydrophobicContact CG1-CD1 3.6Å; V83-V134 HydrophobicContact CG1-CG1 4.18Å; V83-V134 HydrophobicContact CG1-CG2 3.96Å
84A95.8Very high94.3Very high11 Ų1139.6 Ų39.69%0.09122%0.223CC..SBendtrans-76.130.3-179.500000113.4L80 G81 S138 A140 A141L80-A84 WeakPolarHBondContact O-CB 3.16Å; L80-A84 PolarHBondContact O-N 2.65Å; G81-A84 PolarHBondContact O-N 2.78Å; A84-S138 WeakPolarHBondContact CB-OG 3.27Å; A84-A140 HydrophobicContact CB-CB 4Å; A84-A141 HydrophobicContact CB-CB 3.88Å
85T96.4Very high94.2Very high59 Ų5940.7 Ų40.736%0.36223%0.229SC..SBendtrans-100.7160.9173.161.90000109.9P82 V83 E87 G88 M89P82-T85 PolarHBondContact O-OG1 3.19Å; P82-T85 VanDerWaalsContact O-OG1 3.09Å; V83-T85 PolarHBondContact O-N 2.75Å; T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 3.41Å; T85-G88 PolarHBondContact O-N 3.1Å; T85-G88 PolarHBondContact OG1-N 3.23Å; T85-M89 WeakPolarHBondContact O-CB 3.16Å; T85-M89 WeakPolarHBondContact O-CG 3.34Å; T85-M89 PolarHBondContact O-N 3.15Å
86R95.5Very high94.2Very high105 Ų10538.8 Ų38.840%0.39622%0.223SC..Hα-helixtrans-55.6-45.6176.9-168.6-179.3-164.9-77.1-15112.4L90 I148R86-L90 HydrophobicContact CG-CD1 4.24Å; R86-L90 WeakPolarHBondContact O-CB 3.5Å; R86-L90 VanDerWaalsContact O-CG 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.48Å; R86-L90 PolarHBondContact O-N 3.36Å; R86-I148 HydrophobicContact CG-CG2 4.11Å
87E94.1Very high94Very high157 Ų15743 Ų4373%0.73424%0.243SC*.Hα-helixtrans-67.5-46.8-179.9-65.6177.8-177.400111.9T85 M89 L90 V91T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 3.41Å; E87-M89 VanDerWaalsContact C-N 3.34Å; E87-M89 PolarHBondContact O-N 3.15Å; E87-L90 PolarHBondContact O-N 3.09Å; E87-V91 WeakPolarHBondContact O-CG2 3.41Å; E87-V91 PolarHBondContact O-N 3.36Å
88G94.8Very high93.7Very high6 Ų636 Ų366%0.06221%0.212CC..Hα-helixtrans-59.5-44.4178.600000112.5T85 V91 L92T85-G88 PolarHBondContact O-N 3.1Å; T85-G88 PolarHBondContact OG1-N 3.23Å; G88-V91 PolarHBondContact O-N 2.87Å; G88-L92 PolarHBondContact O-N 3.36Å
89M96.1Very high93Very high0 Ų038.1 Ų38.10%021%0.211CC..Hα-helixtrans-66-39.8176.8-67-57.4-65.700112.2T85 E87 V91 L92 T93 L131 V134 V135 A141 V144 C145 I148T85-M89 WeakPolarHBondContact O-CB 3.16Å; T85-M89 WeakPolarHBondContact O-CG 3.34Å; T85-M89 PolarHBondContact O-N 3.15Å; E87-M89 VanDerWaalsContact C-N 3.34Å; E87-M89 PolarHBondContact O-N 3.15Å; M89-V91 PolarHBondContact O-N 2.92Å; M89-L92 PolarHBondContact O-N 3.47Å; M89-T93 WeakPolarHBondContact O-CG2 3.36Å; M89-T93 PolarHBondContact O-N 3.37Å; M89-T93 PolarHBondContact O-OG1 3.37Å; M89-T93 VanDerWaalsContact O-OG1 3.07Å; M89-L131 HydrophobicContact CE-CD2 3.62Å; M89-L131 HydrophobicContact SD-CD2 4.49Å; M89-V134 HydrophobicContact SD-CG1 3.85Å; M89-V135 HydrophobicContact CE-CG2 4.4Å; M89-A141 HydrophobicContact CE-CB 4.35Å; M89-A141 HydrophobicContact SD-CB 4.04Å; M89-V144 HydrophobicContact CB-CG1 3.68Å; M89-V144 HydrophobicContact CG-CB 4.15Å; M89-V144 HydrophobicContact CG-CG1 3.61Å; M89-C145 VanDerWaalsContact CE-SG 3.52Å; M89-I148 HydrophobicContact CB-CD1 4.36Å
90L94.7Very high91.9Very high50 Ų5038.7 Ų38.726%0.26221%0.214SC..Hα-helixtrans-62.5-40.1176.5-77.3170.8000112.8R86 E87 T93 G94 T100 I148R86-L90 HydrophobicContact CG-CD1 4.24Å; R86-L90 WeakPolarHBondContact O-CB 3.5Å; R86-L90 VanDerWaalsContact O-CG 3.25Å; R86-L90 WeakPolarHBondContact O-CG 3.48Å; R86-L90 PolarHBondContact O-N 3.36Å; E87-L90 PolarHBondContact O-N 3.09Å; L90-T93 WeakPolarHBondContact CA-OG1 3.39Å; L90-T93 PolarHBondContact O-OG1 2.84Å; L90-T93 VanDerWaalsContact O-OG1 3.11Å; L90-G94 PolarHBondContact O-N 3.29Å; L90-T100 HydrophobicContact CD2-CG2 3.91Å; L90-I148 HydrophobicContact CD2-CB 4.46Å; L90-I148 HydrophobicContact CD2-CG2 4.25Å; L90-I148 HydrophobicContact CG-CG2 4.38Å
91V94Very high90.1Very high38 Ų3840.5 Ų40.523%0.2323%0.234CC..Hα-helixtrans-59.9-49174.1171.40000110.2L54 E87 G88 M89 G94 L95L54-V91 HydrophobicContact CB-CG1 3.84Å; E87-V91 WeakPolarHBondContact O-CG2 3.41Å; E87-V91 PolarHBondContact O-N 3.36Å; G88-V91 PolarHBondContact O-N 2.87Å; M89-V91 PolarHBondContact O-N 2.92Å; V91-G94 PolarHBondContact O-N 3.03Å; V91-L95 HydrophobicContact CG1-CD1 4.07Å; V91-L95 WeakPolarHBondContact O-CG 3.22Å; V91-L95 PolarHBondContact O-N 3.13Å
92L95.3Very high88.1Confident0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-65.7-41.8-179.5-68.3-179.8000112.8L51 L67 L70 V83 G88 M89 G94 L95 A96 L131L51-L92 HydrophobicContact CD2-CG 4.49Å; L67-L92 HydrophobicContact CD2-CD2 3.57Å; L70-L92 HydrophobicContact CD2-CD1 4.36Å; L70-L92 HydrophobicContact CD2-CD2 3.98Å; V83-L92 HydrophobicContact CG1-CD1 3.6Å; G88-L92 PolarHBondContact O-N 3.36Å; M89-L92 PolarHBondContact O-N 3.47Å; L92-G94 VanDerWaalsContact C-N 3.35Å; L92-L95 PolarHBondContact O-N 2.93Å; L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.34Å; L92-L131 HydrophobicContact CB-CD2 3.64Å; L92-L131 HydrophobicContact CB-CG 4Å; L92-L131 HydrophobicContact CD1-CD2 4.18Å
93T94.3Very high86.1Confident2 Ų249.5 Ų49.51%0.01226%0.26CS..Hα-helixtrans-67.9-3617854.90000112M89 L90 A96 M97 L98 L131 I148 L150M89-T93 WeakPolarHBondContact O-CG2 3.36Å; M89-T93 PolarHBondContact O-N 3.37Å; M89-T93 PolarHBondContact O-OG1 3.37Å; M89-T93 VanDerWaalsContact O-OG1 3.07Å; L90-T93 WeakPolarHBondContact CA-OG1 3.39Å; L90-T93 PolarHBondContact O-OG1 2.84Å; L90-T93 VanDerWaalsContact O-OG1 3.11Å; T93-A96 CarbonylContact O-C 3.59Å; T93-A96 PolarHBondContact O-N 2.97Å; T93-M97 PolarHBondContact O-N 2.82Å; T93-M97 VanDerWaalsContact O-N 3.15Å; T93-L98 PolarHBondContact O-N 2.9Å; T93-L131 HydrophobicContact CG2-CD1 4.22Å; T93-L131 HydrophobicContact CG2-CD2 4.19Å; T93-I148 HydrophobicContact CG2-CD1 4.11Å; T93-L150 HydrophobicContact CG2-CD1 3.61Å; T93-L150 HydrophobicContact CG2-CD2 4.05Å; T93-L150 HydrophobicContact CG2-CG 4.44Å
94G91.8Very high83.6Confident44 Ų4452.4 Ų52.445%0.45429%0.291SS..Hα-helixtrans-63.2-45.8173.900000112.2L90 V91 L92 A96 M97L90-G94 PolarHBondContact O-N 3.29Å; V91-G94 PolarHBondContact O-N 3.03Å; L92-G94 VanDerWaalsContact C-N 3.35Å; G94-A96 VanDerWaalsContact C-N 3.27Å; G94-A96 PolarHBondContact O-N 3.17Å; G94-M97 PolarHBondContact O-N 3.37Å
95L92.6Very high81Confident25 Ų2560 Ų6013%0.13132%0.324CS..Hα-helixtrans-66-29.2175-67.6170.9000112.8L54 L67 V91 L92 M97 V123 V124 A127L54-L95 HydrophobicContact CB-CD1 4.37Å; L54-L95 HydrophobicContact CD2-CD1 3.9Å; L67-L95 HydrophobicContact CD1-CD1 4.34Å; L67-L95 HydrophobicContact CD2-CD1 4.17Å; V91-L95 HydrophobicContact CG1-CD1 4.07Å; V91-L95 WeakPolarHBondContact O-CG 3.22Å; V91-L95 PolarHBondContact O-N 3.13Å; L92-L95 PolarHBondContact O-N 2.93Å; L95-M97 PolarHBondContact O-N 2.71Å; L95-V123 HydrophobicContact CB-CG1 4.46Å; L95-V123 HydrophobicContact CD2-CG1 4.18Å; L95-V124 WeakPolarHBondContact O-CG2 3.43Å; L95-A127 HydrophobicContact CB-CB 3.91Å
96A92.7Very high78.2Confident4 Ų465 Ų653%0.03335%0.348CS..THydrogen-bonded Turntrans-79.90.6172.600000113.7L92 T93 G94 L98 A127 L128 L131L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.34Å; T93-A96 CarbonylContact O-C 3.59Å; T93-A96 PolarHBondContact O-N 2.97Å; G94-A96 VanDerWaalsContact C-N 3.27Å; G94-A96 PolarHBondContact O-N 3.17Å; A96-L98 HydrophobicContact CB-CD1 4.27Å; A96-L98 HydrophobicContact CB-CG 4.15Å; A96-L98 PolarHBondContact O-N 3.11Å; A96-A127 HydrophobicContact CB-CB 3.96Å; A96-L128 HydrophobicContact CB-CD2 3.86Å; A96-L128 HydrophobicContact CB-CG 4Å; A96-L131 HydrophobicContact CB-CD1 3.66Å
97M89.3Confident75.7Confident104 Ų10468.1 Ų68.151%0.51237%0.365SS..THydrogen-bonded Turntrans56.429.8-177.1-62.1-72.4-171.300113.7T93 G94 L95 V124T93-M97 PolarHBondContact O-N 2.82Å; T93-M97 VanDerWaalsContact O-N 3.15Å; G94-M97 PolarHBondContact O-N 3.37Å; L95-M97 PolarHBondContact O-N 2.71Å; M97-V124 HydrophobicContact CG-CG2 3.76Å
98L87.3Confident73.3Confident6 Ų667.4 Ų67.43%0.03136%0.362CS..  trans-95.6116.1175.3-63.5178.5000109.2T93 A96 L128 L131 L150 L154 L175T93-L98 PolarHBondContact O-N 2.9Å; A96-L98 HydrophobicContact CB-CD1 4.27Å; A96-L98 HydrophobicContact CB-CG 4.15Å; A96-L98 PolarHBondContact O-N 3.11Å; L98-L128 HydrophobicContact CD1-CD2 3.95Å; L98-L128 HydrophobicContact CG-CD2 4.42Å; L98-L131 HydrophobicContact CD1-CD1 4.37Å; L98-L150 HydrophobicContact CB-CD1 3.88Å; L98-L150 HydrophobicContact CD1-CD1 4.03Å; L98-L154 HydrophobicContact CD1-CD2 3.75Å; L98-L154 HydrophobicContact CD1-CG 4.42Å; L98-L154 HydrophobicContact CD2-CD2 3.95Å; L98-L175 HydrophobicContact CD1-CD2 3.82Å
99R76.6Confident70.8Confident113 Ų11376 Ų7643%0.42640%0.4SS..  trans-63.8145.3178-63.7-175.7-177.3-161.9-3.2110.8G153R99-G153 WeakPolarHBondContact O-CA 3.41Å; R99-G153 PolarHBondContact O-N 2.92Å
100T70.8Confident67.9Low12 Ų1281.6 Ų81.67%0.07443%0.434CS..  trans-110.3155.3170.961.30000109.5L90 Q102 E103 I148L90-T100 HydrophobicContact CD2-CG2 3.91Å; T100-Q102 PolarHBondContact O-N 3.35Å; T100-E103 PolarHBondContact O-N 3.28Å; T100-I148 WeakPolarHBondContact CB-O 3.26Å; T100-I148 HydrophobicContact CG2-CB 4.35Å; T100-I148 HydrophobicContact CG2-CD1 4.09Å; T100-I148 HydrophobicContact CG2-CG1 4.26Å
101G57.9Low65.5Low42 Ų4283.8 Ų83.843%0.43345%0.45SS..THydrogen-bonded Turntrans-63.61.5-173.300000115.8I148G101-I148 PolarHBondContact N-O 3.07Å
102Q51.3Low63.2Low128 Ų12885.8 Ų85.860%0.59846%0.457SS*.THydrogen-bonded Turntrans-98.1-8.7179.3-64.1-167.9-44.100114.2T100 G104T100-Q102 PolarHBondContact O-N 3.35Å; Q102-G104 PolarHBondContact O-N 3.35Å
103E51.3Low60.8Low133 Ų13392.6 Ų92.662%0.62149%0.493SS*.SBendtrans-86.8105.3173.8-64.9-178.516900108.4T100T100-E103 PolarHBondContact O-N 3.28Å
104G42.9Very low58.4Low62 Ų6295.6 Ų95.664%0.63952%0.518SS*.  trans-52.4152.9-175.200000114.5Q102 D106Q102-G104 PolarHBondContact O-N 3.35Å; G104-D106 PolarHBondContact O-N 3.39Å
105E41Very low56.3Low170 Ų170101.8 Ų101.879%0.79454%0.54SS*.THydrogen-bonded Turntrans-60-9.1-173-65.1-179.814900114.9K107 Q108E105-K107 PolarHBondContact O-N 2.94Å; E105-Q108 WeakPolarHBondContact O-CG 3.46Å
106D37.7Very low54.9Low163 Ų163103.5 Ų103.587%0.87255%0.548SS*.THydrogen-bonded Turntrans-865-169.9-73.6-28.7000116.5G104G104-D106 PolarHBondContact O-N 3.39Å
107K44.2Very low54.2Low172 Ų172106 Ų10675%0.74857%0.565SS**  trans-104.255.3166.8-69.4-176-176.7176.30110.6E105E105-K107 PolarHBondContact O-N 2.94Å
108Q43.6Very low54Low142 Ų142106 Ų10666%0.66456%0.564SS**  trans-75134.1171-89.2171.4-300109.9E105E105-Q108 WeakPolarHBondContact O-CG 3.46Å
109E40.8Very low53.9Low185 Ų185110.7 Ų110.786%0.86459%0.585SS**SBendtrans96.2-10.6153.5-64.8179.2170.600123.4
110T36.7Very low54.3Low118 Ų118109 Ų10972%0.72458%0.582SS**SBendtrans-120.55.6-171.538.70000120.3
111T44.2Very low55.1Low97 Ų97110.7 Ų110.760%0.59559%0.589SS**SBendtrans-132.622-164.7-1.40000118.4
112Q45.9Very low56.7Low79 Ų79115.7 Ų115.737%0.36960%0.595SS.*SBendtrans-108.8-19.4165.8-86179-23.400114F160Q112-F160 VanDerWaalsContact OE1-CE2 3.23Å
113D43.4Very low58.8Low143 Ų143109.8 Ų109.877%0.76557%0.567SS**SBendtrans-104.54.6177-87.9-18.7000114.5L115D113-L115 VanDerWaalsContact C-N 3.27Å; D113-L115 PolarHBondContact O-N 3.48Å
114A43.8Very low60.8Low65 Ų65104 Ų10454%0.53754%0.541SS..SBendtrans-76.682.2172.900000109.6Q116A114-Q116 PolarHBondContact O-N 3.04Å
115L48.6Very low63.3Low175 Ų175101.4 Ų101.492%0.91651%0.512SS*.  trans19.970.3159-71.1161.4000114.3D113 S117D113-L115 VanDerWaalsContact C-N 3.27Å; D113-L115 PolarHBondContact O-N 3.48Å; L115-S117 PolarHBondContact O-N 3.46Å
116Q62.1Low65.9Low61 Ų6193.9 Ų93.929%0.28548%0.477SS..  trans-67.2132.4173.4-72.4-178.7-14.300109.1A114 E120 K121A114-Q116 PolarHBondContact O-N 3.04Å; Q116-E120 VanDerWaalsContact CA-OE2 3.27Å; Q116-E120 WeakPolarHBondContact CA-OE2 3.46Å; Q116-E120 HydrophobicContact CB-CB 4.37Å; Q116-K121 HydrophobicContact CB-CG 4.15Å; Q116-K121 WeakPolarHBondContact O-CE 3.19Å
117S80Confident68.7Low57 Ų5786.1 Ų86.140%0.39944%0.436SS..  trans-57.6146.2170.81750000109.4L115 E119 E120 K121L115-S117 PolarHBondContact O-N 3.46Å; S117-E119 PolarHBondContact O-N 3.28Å; S117-E119 PolarHBondContact OG-N 3.17Å; S117-E120 PolarHBondContact N-OE2 2.86Å; S117-E120 WeakPolarHBondContact O-CB 3.23Å; S117-E120 PolarHBondContact O-N 3.01Å; S117-K121 PolarHBondContact O-N 2.58Å
118E83.3Confident71.3Confident104 Ų10477.9 Ų77.949%0.48640%0.4SS..Hα-helixtrans-55.2-24.9173.2-71.9-60126.300112.3K121 R122E118-K121 IonicContact OE1-NZ 2.9Å; E118-K121 PolarHBondContact OE1-NZ 2.94Å; E118-R122 VanDerWaalsContact O-CG 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.46Å; E118-R122 PolarHBondContact O-N 3.28Å
119E85Confident73.8Confident103 Ų10373.1 Ų73.148%0.48138%0.377SS..Hα-helixtrans-69.9-40.5173.8-62.2-173.5153.200112.8P60 S117 K121 R122 V123P60-E119 HydrophobicContact CB-CB 3.97Å; S117-E119 PolarHBondContact O-N 3.28Å; S117-E119 PolarHBondContact OG-N 3.17Å; E119-K121 VanDerWaalsContact C-N 3.35Å; E119-R122 WeakPolarHBondContact O-CB 3.32Å; E119-R122 PolarHBondContact O-N 3.1Å; E119-V123 WeakPolarHBondContact O-CG2 3.49Å; E119-V123 PolarHBondContact O-N 3.19Å; E119-V123 VanDerWaalsContact O-N 3.11Å
120E86.4Confident76.5Confident78 Ų7864.3 Ų64.336%0.36434%0.336SS..Hα-helixtrans-67.3-38.6178.1-66.1172.514100110.8P60 Q116 S117 R122 V123 V124P60-E120 HydrophobicContact CG-CG 4.24Å; Q116-E120 VanDerWaalsContact CA-OE2 3.27Å; Q116-E120 WeakPolarHBondContact CA-OE2 3.46Å; Q116-E120 HydrophobicContact CB-CB 4.37Å; S117-E120 PolarHBondContact N-OE2 2.86Å; S117-E120 WeakPolarHBondContact O-CB 3.23Å; S117-E120 PolarHBondContact O-N 3.01Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.25Å; E120-V123 WeakPolarHBondContact O-CB 3.38Å; E120-V123 PolarHBondContact O-N 2.97Å; E120-V123 VanDerWaalsContact O-N 3.11Å; E120-V124 WeakPolarHBondContact O-CG2 3.32Å; E120-V124 PolarHBondContact O-N 3.46Å
121K87.8Confident79.4Confident48 Ų4858.7 Ų58.721%0.20930%0.301CS..Hα-helixtrans-61.8-39.6175.1-59.8-175.6-167.51660112Q116 S117 E118 E119 V123 V124 V125 Q165Q116-K121 HydrophobicContact CB-CG 4.15Å; Q116-K121 WeakPolarHBondContact O-CE 3.19Å; S117-K121 PolarHBondContact O-N 2.58Å; E118-K121 IonicContact OE1-NZ 2.9Å; E118-K121 PolarHBondContact OE1-NZ 2.94Å; E119-K121 VanDerWaalsContact C-N 3.35Å; K121-V123 VanDerWaalsContact C-N 3.32Å; K121-V123 PolarHBondContact O-N 3.4Å; K121-V124 PolarHBondContact O-N 2.99Å; K121-V125 WeakPolarHBondContact O-CG2 3.22Å; K121-V125 PolarHBondContact O-N 3.47Å; K121-Q165 VanDerWaalsContact CD-NE2 3.3Å; K121-Q165 VanDerWaalsContact CD-OE1 3.28Å; K121-Q165 VanDerWaalsContact NZ-NE2 3.16Å
122R91.4Very high82Confident147 Ų14754.3 Ų54.356%0.55528%0.275SS*.Hα-helixtrans-64-36.8174.2-71.4169.4-179.3-173.10.8112.1K64 E118 E119 E120 E126K64-R122 HydrophobicContact CD-CB 4.21Å; E118-R122 VanDerWaalsContact O-CG 3.31Å; E118-R122 WeakPolarHBondContact O-CG 3.46Å; E118-R122 PolarHBondContact O-N 3.28Å; E119-R122 WeakPolarHBondContact O-CB 3.32Å; E119-R122 PolarHBondContact O-N 3.1Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.25Å; R122-E126 WeakPolarHBondContact O-CB 3.25Å; R122-E126 PolarHBondContact O-N 2.8Å
123V94.3Very high84.4Confident4 Ų452.8 Ų52.82%0.02427%0.269CS..Hα-helixtrans-62.9-47173.4172.50000110.5P60 Q63 K64 L67 L95 E119 E120 K121 V125 E126 A127P60-V123 HydrophobicContact CB-CG2 4.09Å; P60-V123 VanDerWaalsContact O-CG2 3.28Å; P60-V123 WeakPolarHBondContact O-CG2 3.33Å; Q63-V123 HydrophobicContact CB-CG1 4.03Å; Q63-V123 HydrophobicContact CB-CG2 3.93Å; K64-V123 HydrophobicContact CB-CG2 4.12Å; L67-V123 HydrophobicContact CD1-CG1 3.76Å; L67-V123 WeakPolarHBondContact CD1-O 3.21Å; L95-V123 HydrophobicContact CB-CG1 4.46Å; L95-V123 HydrophobicContact CD2-CG1 4.18Å; E119-V123 WeakPolarHBondContact O-CG2 3.49Å; E119-V123 PolarHBondContact O-N 3.19Å; E119-V123 VanDerWaalsContact O-N 3.11Å; E120-V123 WeakPolarHBondContact O-CB 3.38Å; E120-V123 PolarHBondContact O-N 2.97Å; E120-V123 VanDerWaalsContact O-N 3.11Å; K121-V123 VanDerWaalsContact C-N 3.32Å; K121-V123 PolarHBondContact O-N 3.4Å; V123-V125 PolarHBondContact O-N 2.9Å; V123-E126 PolarHBondContact O-N 3.18Å; V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.9Å
124V94.4Very high87Confident11 Ų1146 Ų467%0.06723%0.233CC..Hα-helixtrans-57.5-48.9177.9172.30000111.3L95 M97 E120 K121 E126 A127 L128 V168L95-V124 WeakPolarHBondContact O-CG2 3.43Å; M97-V124 HydrophobicContact CG-CG2 3.76Å; E120-V124 WeakPolarHBondContact O-CG2 3.32Å; E120-V124 PolarHBondContact O-N 3.46Å; K121-V124 PolarHBondContact O-N 2.99Å; V124-E126 VanDerWaalsContact C-N 3.34Å; V124-E126 PolarHBondContact O-N 3.31Å; V124-A127 PolarHBondContact O-N 2.85Å; V124-L128 HydrophobicContact CG1-CD1 3.96Å; V124-L128 HydrophobicContact CG1-CG 4.47Å; V124-L128 WeakPolarHBondContact O-CG 3.18Å; V124-L128 PolarHBondContact O-N 3.32Å; V124-V168 HydrophobicContact CG1-CG1 4.43Å; V124-V168 HydrophobicContact CG1-CG2 4.29Å
125V95.1Very high89.5Confident7 Ų742.9 Ų42.94%0.04221%0.207CC..Hα-helixtrans-60.1-44.6178.7170.30000111.3K121 V123 L128 K129 E167 V168 F171K121-V125 WeakPolarHBondContact O-CG2 3.22Å; K121-V125 PolarHBondContact O-N 3.47Å; V123-V125 PolarHBondContact O-N 2.9Å; V125-L128 PolarHBondContact O-N 2.93Å; V125-K129 HydrophobicContact CG1-CD 4.05Å; V125-K129 VanDerWaalsContact CG1-CE 3.44Å; V125-K129 VanDerWaalsContact O-CG 3.31Å; V125-K129 WeakPolarHBondContact O-CG 3.43Å; V125-K129 PolarHBondContact O-N 3.1Å; V125-E167 HydrophobicContact CG1-CB 3.86Å; V125-E167 HydrophobicContact CG1-CG 4.48Å; V125-E167 HydrophobicContact CG2-CB 3.77Å; V125-V168 HydrophobicContact CG2-CG2 3.66Å; V125-F171 HydrophobicContact CG1-CD2 4.44Å
126E96.1Very high91.8Very high12 Ų1241.5 Ų41.56%0.05619%0.191CC..Hα-helixtrans-68.5-36.1-179.5-161.364.4-162.600112.1L67 E68 R71 R122 V123 V124 K129 C130L67-E126 HydrophobicContact CB-CB 4Å; L67-E126 HydrophobicContact CB-CG 3.53Å; L67-E126 HydrophobicContact CD1-CB 4.29Å; E68-E126 VanDerWaalsContact CA-OE1 3.3Å; E68-E126 WeakPolarHBondContact CA-OE1 3.48Å; E68-E126 HydrophobicContact CG-CG 3.94Å; E68-E126 WeakPolarHBondContact CG-OE1 3.4Å; R71-E126 WeakPolarHBondContact CD-OE1 3.31Å; R71-E126 IonicContact CZ-OE1 3.56Å; R71-E126 IonicContact NE-OE1 2.77Å; R71-E126 PolarHBondContact NE-OE1 3.29Å; R71-E126 IonicContact NE-OE2 3.75Å; R71-E126 IonicContact NH2-OE1 3.96Å; R71-E126 PolarHBondContact NH2-OE1 2.79Å; R122-E126 WeakPolarHBondContact O-CB 3.25Å; R122-E126 PolarHBondContact O-N 2.8Å; V123-E126 PolarHBondContact O-N 3.18Å; V124-E126 VanDerWaalsContact C-N 3.34Å; V124-E126 PolarHBondContact O-N 3.31Å; E126-K129 PolarHBondContact O-N 2.87Å; E126-C130 WeakPolarHBondContact O-CB 3.5Å; E126-C130 PolarHBondContact O-N 2.68Å
127A96.9Very high93.5Very high0 Ų040.9 Ų40.90%019%0.189CC..Hα-helixtrans-63.8-45173.500000111.5L67 L95 A96 V123 V124 K129 C130 L131L67-A127 HydrophobicContact CD1-CB 3.92Å; L67-A127 HydrophobicContact CD2-CB 4.25Å; L95-A127 HydrophobicContact CB-CB 3.91Å; A96-A127 HydrophobicContact CB-CB 3.96Å; V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.9Å; V124-A127 PolarHBondContact O-N 2.85Å; A127-K129 PolarHBondContact O-N 3.17Å; A127-C130 WeakPolarHBondContact O-CB 3.37Å; A127-C130 PolarHBondContact O-N 3.38Å; A127-L131 WeakPolarHBondContact O-CG 3.31Å; A127-L131 PolarHBondContact O-N 3.4Å
128L97.3Very high94.3Very high0 Ų038.9 Ų38.90%018%0.175CC..Hα-helixtrans-62.2-42175.8-71.9167.6000112.1A96 L98 V124 V125 C130 L131 C132 V168 F171 V172 L175A96-L128 HydrophobicContact CB-CD2 3.86Å; A96-L128 HydrophobicContact CB-CG 4Å; L98-L128 HydrophobicContact CD1-CD2 3.95Å; L98-L128 HydrophobicContact CG-CD2 4.42Å; V124-L128 HydrophobicContact CG1-CD1 3.96Å; V124-L128 HydrophobicContact CG1-CG 4.47Å; V124-L128 WeakPolarHBondContact O-CG 3.18Å; V124-L128 PolarHBondContact O-N 3.32Å; V125-L128 PolarHBondContact O-N 2.93Å; L128-C130 VanDerWaalsContact C-N 3.34Å; L128-C130 PolarHBondContact O-N 2.92Å; L128-L131 PolarHBondContact O-N 2.9Å; L128-C132 PolarHBondContact O-N 3.35Å; L128-C132 PolarHBondContact O-SG 2.86Å; L128-V168 HydrophobicContact CD1-CG1 4.14Å; L128-F171 HydrophobicContact CB-CB 3.66Å; L128-F171 HydrophobicContact CD1-CB 4.3Å; L128-V172 HydrophobicContact CD1-CG2 3.92Å; L128-V172 HydrophobicContact CD2-CG2 3.96Å; L128-L175 HydrophobicContact CD2-CD2 4.48Å
129K96.9Very high94.9Very high41 Ų4137.2 Ų37.218%0.17818%0.18CC..Hα-helixtrans-60-44.5173.6-73.2168.4-179.5169.20111.4V125 E126 A127 C132 N133 E167 F171V125-K129 HydrophobicContact CG1-CD 4.05Å; V125-K129 VanDerWaalsContact CG1-CE 3.44Å; V125-K129 VanDerWaalsContact O-CG 3.31Å; V125-K129 WeakPolarHBondContact O-CG 3.43Å; V125-K129 PolarHBondContact O-N 3.1Å; E126-K129 PolarHBondContact O-N 2.87Å; A127-K129 PolarHBondContact O-N 3.17Å; K129-C132 PolarHBondContact O-N 3.03Å; K129-N133 PolarHBondContact O-N 2.9Å; K129-E167 WeakPolarHBondContact CE-OE1 3.28Å; K129-E167 IonicContact NZ-OE1 3.69Å; K129-E167 PolarHBondContact NZ-OE1 2.88Å; K129-F171 HydrophobicContact CD-CE2 4.04Å; K129-F171 HydrophobicContact CD-CZ 4.06Å; K129-F171 VanDerWaalsContact CE-CZ 3.43Å; K129-F171 HydrophobicContact CG-CD1 3.85Å; K129-F171 HydrophobicContact CG-CD2 3.87Å; K129-F171 HydrophobicContact CG-CE1 3.6Å; K129-F171 HydrophobicContact CG-CE2 3.67Å; K129-F171 HydrophobicContact CG-CG 4Å; K129-F171 HydrophobicContact CG-CZ 3.53Å
130C96.9Very high95.4Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-62.5-48176.7-169.60000111.2R71 E126 A127 L128 C132 N133 V134R71-C130 HydrophobicContact CB-CB 4.41Å; E126-C130 WeakPolarHBondContact O-CB 3.5Å; E126-C130 PolarHBondContact O-N 2.68Å; A127-C130 WeakPolarHBondContact O-CB 3.37Å; A127-C130 PolarHBondContact O-N 3.38Å; L128-C130 VanDerWaalsContact C-N 3.34Å; L128-C130 PolarHBondContact O-N 2.92Å; C130-C132 VanDerWaalsContact C-N 3.34Å; C130-C132 PolarHBondContact O-N 3.02Å; C130-N133 PolarHBondContact O-N 3.03Å; C130-N133 VanDerWaalsContact O-N 3.16Å; C130-V134 VanDerWaalsContact O-CG2 3.28Å; C130-V134 WeakPolarHBondContact O-CG2 3.25Å; C130-V134 PolarHBondContact O-N 3.4Å
131L97.6Very high95.9Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-57-44.5176.4-77.7170.3000112.3M89 L92 T93 A96 L98 A127 L128 N133 V134 V135 L175M89-L131 HydrophobicContact CE-CD2 3.62Å; M89-L131 HydrophobicContact SD-CD2 4.49Å; L92-L131 HydrophobicContact CB-CD2 3.64Å; L92-L131 HydrophobicContact CB-CG 4Å; L92-L131 HydrophobicContact CD1-CD2 4.18Å; T93-L131 HydrophobicContact CG2-CD1 4.22Å; T93-L131 HydrophobicContact CG2-CD2 4.19Å; A96-L131 HydrophobicContact CB-CD1 3.66Å; L98-L131 HydrophobicContact CD1-CD1 4.37Å; A127-L131 WeakPolarHBondContact O-CG 3.31Å; A127-L131 PolarHBondContact O-N 3.4Å; L128-L131 PolarHBondContact O-N 2.9Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 2.96Å; L131-V134 PolarHBondContact O-N 3.49Å; L131-V135 WeakPolarHBondContact O-CB 3.41Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.97Å; L131-L175 HydrophobicContact CB-CD1 4.45Å; L131-L175 HydrophobicContact CB-CD2 4.14Å; L131-L175 HydrophobicContact CD1-CD2 4.23Å
132C98Very high96.4Very high5 Ų530.1 Ų30.13%0.03416%0.157CC..Hα-helixtrans-56.9-46.8176.6-700000111.6L128 K129 C130 Y136 L178L128-C132 PolarHBondContact O-N 3.35Å; L128-C132 PolarHBondContact O-SG 2.86Å; K129-C132 PolarHBondContact O-N 3.03Å; C130-C132 VanDerWaalsContact C-N 3.34Å; C130-C132 PolarHBondContact O-N 3.02Å; C132-Y136 WeakPolarHBondContact O-CB 3.44Å; C132-Y136 PolarHBondContact O-N 3.07Å; C132-L178 HydrophobicContact CB-CD1 3.84Å; C132-L178 WeakPolarHBondContact O-CD1 3.23Å
133N96.9Very high96.6Very high47 Ų4726.5 Ų26.525%0.25115%0.146SC..Hα-helixtrans-65.9-44.7178.4-73.9-1.8000112.2R71 S74 K129 C130 L131 Y136 N137R71-N133 PolarHBondContact O-ND2 2.84Å; S74-N133 WeakPolarHBondContact OG-CB 3.35Å; S74-N133 PolarHBondContact OG-ND2 3.37Å; S74-N133 VanDerWaalsContact OG-ND2 3.13Å; K129-N133 PolarHBondContact O-N 2.9Å; C130-N133 PolarHBondContact O-N 3.03Å; C130-N133 VanDerWaalsContact O-N 3.16Å; L131-N133 VanDerWaalsContact C-N 3.33Å; L131-N133 PolarHBondContact O-N 2.96Å; N133-Y136 PolarHBondContact O-N 2.97Å; N133-N137 WeakPolarHBondContact O-CB 3.33Å; N133-N137 PolarHBondContact O-N 3.48Å; N133-N137 PolarHBondContact O-ND2 3.48Å
134V97.5Very high96.7Very high0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-62.5-46.9-179.3172.60000110.7L80 V83 M89 C130 L131 N137 S138 A141L80-V134 HydrophobicContact CD2-CG2 3.98Å; V83-V134 HydrophobicContact CG1-CG1 4.18Å; V83-V134 HydrophobicContact CG1-CG2 3.96Å; M89-V134 HydrophobicContact SD-CG1 3.85Å; C130-V134 VanDerWaalsContact O-CG2 3.28Å; C130-V134 WeakPolarHBondContact O-CG2 3.25Å; C130-V134 PolarHBondContact O-N 3.4Å; L131-V134 PolarHBondContact O-N 3.49Å; V134-N137 PolarHBondContact O-N 3.3Å; V134-S138 WeakPolarHBondContact O-CB 3.32Å; V134-S138 PolarHBondContact O-N 3.16Å; V134-A141 HydrophobicContact CG1-CB 3.57Å
135V97.4Very high96.8Very high0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-64.6-40.8177.4169.50000111.3M89 L131 Q142 L175 L178 L179 L182M89-V135 HydrophobicContact CE-CG2 4.4Å; L131-V135 WeakPolarHBondContact O-CB 3.41Å; L131-V135 WeakPolarHBondContact O-CG2 3.44Å; L131-V135 PolarHBondContact O-N 2.97Å; V135-Q142 HydrophobicContact CG1-CG 4.08Å; V135-Q142 VanDerWaalsContact O-CG 3.3Å; V135-Q142 WeakPolarHBondContact O-CG 3.43Å; V135-Q142 PolarHBondContact O-NE2 3.35Å; V135-L175 HydrophobicContact CB-CD1 4.23Å; V135-L175 HydrophobicContact CG1-CD1 4.46Å; V135-L175 HydrophobicContact CG2-CD1 3.94Å; V135-L178 HydrophobicContact CG1-CB 4.32Å; V135-L179 HydrophobicContact CG1-CD2 3.64Å; V135-L179 HydrophobicContact CG1-CG 4.12Å; V135-L179 HydrophobicContact CG2-CD2 4.38Å; V135-L182 HydrophobicContact CG1-CD1 4.37Å
136Y97.1Very high96.7Very high147 Ų14727.8 Ų27.858%0.57615%0.154SC*.Hα-helixtrans-63.8-41.6177.3-180-104.2000112.4C132 N133 L178C132-Y136 WeakPolarHBondContact O-CB 3.44Å; C132-Y136 PolarHBondContact O-N 3.07Å; N133-Y136 PolarHBondContact O-N 2.97Å; Y136-L178 HydrophobicContact CD2-CD2 3.79Å; Y136-L178 HydrophobicContact CG-CD2 4.5Å
137N96.4Very high96.6Very high47 Ų4731.8 Ų31.825%0.25118%0.176SC..Hα-helixtrans-94.6-12.3-171.9-73.6-40.4000115.2S74 K77 L80 N133 V134S74-N137 PolarHBondContact O-ND2 3.27Å; K77-N137 HydrophobicContact CB-CB 4.13Å; L80-N137 HydrophobicContact CD1-CB 3.61Å; N133-N137 WeakPolarHBondContact O-CB 3.33Å; N133-N137 PolarHBondContact O-N 3.48Å; N133-N137 PolarHBondContact O-ND2 3.48Å; V134-N137 PolarHBondContact O-N 3.3Å
138S97Very high96.5Very high15 Ų1531.9 Ų31.911%0.10518%0.176CC..  trans-130.1112.2-175.5-179.90000113.4A84 V134 A140 A141 Q142A84-S138 WeakPolarHBondContact CB-OG 3.27Å; V134-S138 WeakPolarHBondContact O-CB 3.32Å; V134-S138 PolarHBondContact O-N 3.16Å; S138-A140 VanDerWaalsContact C-N 3.26Å; S138-A140 PolarHBondContact O-N 3.31Å; S138-A140 PolarHBondContact OG-N 3.46Å; S138-A141 PolarHBondContact O-N 3.07Å; S138-A141 PolarHBondContact OG-N 2.94Å; S138-Q142 WeakPolarHBondContact O-CG 3.23Å; S138-Q142 PolarHBondContact O-N 2.85Å; S138-Q142 VanDerWaalsContact O-N 3.07Å
139A96Very high96.3Very high70 Ų7036.2 Ų36.258%0.57920%0.197SC*.Hα-helixtrans-62.5-32.2171.900000112.7Q142 Q143A139-Q142 WeakPolarHBondContact O-CB 3.43Å; A139-Q142 PolarHBondContact O-N 3.43Å; A139-Q143 PolarHBondContact O-N 3.4Å; A139-Q143 VanDerWaalsContact O-N 3.08Å
140A96.6Very high96.1Very high56 Ų5634.3 Ų34.346%0.46319%0.188SC..Hα-helixtrans-64.6-42.4174.300000111.2A84 S138 Q142 Q143 V144A84-A140 HydrophobicContact CB-CB 4Å; S138-A140 VanDerWaalsContact C-N 3.26Å; S138-A140 PolarHBondContact O-N 3.31Å; S138-A140 PolarHBondContact OG-N 3.46Å; A140-Q142 VanDerWaalsContact C-N 3.33Å; A140-Q142 PolarHBondContact O-N 2.69Å; A140-Q143 PolarHBondContact O-N 2.89Å; A140-V144 WeakPolarHBondContact O-CG2 3.34Å; A140-V144 PolarHBondContact O-N 3.33Å
141A97.1Very high95.8Very high0 Ų034.7 Ų34.70%019%0.191CC..Hα-helixtrans-65.5-37.6176.200000111.9A84 M89 V134 S138 Q143 V144 C145A84-A141 HydrophobicContact CB-CB 3.88Å; M89-A141 HydrophobicContact CE-CB 4.35Å; M89-A141 HydrophobicContact SD-CB 4.04Å; V134-A141 HydrophobicContact CG1-CB 3.57Å; S138-A141 PolarHBondContact O-N 3.07Å; S138-A141 PolarHBondContact OG-N 2.94Å; A141-Q143 VanDerWaalsContact C-N 3.32Å; A141-Q143 PolarHBondContact O-N 2.89Å; A141-V144 PolarHBondContact O-N 3Å; A141-C145 PolarHBondContact O-N 3.07Å; A141-C145 PolarHBondContact O-SG 2.65Å
142Q97Very high95.5Very high23 Ų2338.5 Ų38.511%0.10721%0.208CC..Hα-helixtrans-57.9-45.2173.1-64.5159.620.200111.3V135 S138 A139 A140 C145 V146 R183V135-Q142 HydrophobicContact CG1-CG 4.08Å; V135-Q142 VanDerWaalsContact O-CG 3.3Å; V135-Q142 WeakPolarHBondContact O-CG 3.43Å; V135-Q142 PolarHBondContact O-NE2 3.35Å; S138-Q142 WeakPolarHBondContact O-CG 3.23Å; S138-Q142 PolarHBondContact O-N 2.85Å; S138-Q142 VanDerWaalsContact O-N 3.07Å; A139-Q142 WeakPolarHBondContact O-CB 3.43Å; A139-Q142 PolarHBondContact O-N 3.43Å; A140-Q142 VanDerWaalsContact C-N 3.33Å; A140-Q142 PolarHBondContact O-N 2.69Å; Q142-C145 WeakPolarHBondContact O-CB 3.38Å; Q142-C145 PolarHBondContact O-N 3.33Å; Q142-V146 PolarHBondContact O-N 3.02Å; Q142-R183 HydrophobicContact CB-CG 4.12Å
143Q96.4Very high95.1Very high71 Ų7138.4 Ų38.433%0.33221%0.208SC..Hα-helixtrans-64.5-44.1176.8-174.858.253.500111.6A139 A140 A141 C145 V146 D147A139-Q143 PolarHBondContact O-N 3.4Å; A139-Q143 VanDerWaalsContact O-N 3.08Å; A140-Q143 PolarHBondContact O-N 2.89Å; A141-Q143 VanDerWaalsContact C-N 3.32Å; A141-Q143 PolarHBondContact O-N 2.89Å; Q143-C145 VanDerWaalsContact C-N 3.27Å; Q143-C145 PolarHBondContact O-N 3.21Å; Q143-V146 WeakPolarHBondContact O-CA 3.35Å; Q143-V146 VanDerWaalsContact O-CB 3.29Å; Q143-V146 WeakPolarHBondContact O-CB 3.45Å; Q143-V146 PolarHBondContact O-N 3.41Å; Q143-D147 PolarHBondContact NE2-OD1 3.03Å; Q143-D147 VanDerWaalsContact O-CG 3.29Å; Q143-D147 PolarHBondContact O-N 2.88Å
144V96.4Very high95Very high16 Ų1636.2 Ų36.210%0.09720%0.197CC..Hα-helixtrans-59.2-38.4176.3173.20000111.6M89 A140 A141 V146 D147 I148M89-V144 HydrophobicContact CB-CG1 3.68Å; M89-V144 HydrophobicContact CG-CB 4.15Å; M89-V144 HydrophobicContact CG-CG1 3.61Å; A140-V144 WeakPolarHBondContact O-CG2 3.34Å; A140-V144 PolarHBondContact O-N 3.33Å; A141-V144 PolarHBondContact O-N 3Å; V144-V146 PolarHBondContact O-N 3.48Å; V144-D147 PolarHBondContact O-N 3.26Å; V144-D147 VanDerWaalsContact O-N 3.12Å; V144-I148 HydrophobicContact CG1-CG2 4.22Å; V144-I148 WeakPolarHBondContact O-CG1 3.29Å; V144-I148 PolarHBondContact O-N 3.41Å
145C95.7Very high94.7Very high1 Ų136.3 Ų36.31%0.00720%0.197CC..Hα-helixtrans-58.4-35.6174.3-73.10000112.8M89 A141 Q142 Q143 Q149 L150 L179M89-C145 VanDerWaalsContact CE-SG 3.52Å; A141-C145 PolarHBondContact O-N 3.07Å; A141-C145 PolarHBondContact O-SG 2.65Å; Q142-C145 WeakPolarHBondContact O-CB 3.38Å; Q142-C145 PolarHBondContact O-N 3.33Å; Q143-C145 VanDerWaalsContact C-N 3.27Å; Q143-C145 PolarHBondContact O-N 3.21Å; C145-Q149 PolarHBondContact O-N 2.7Å; C145-L150 HydrophobicContact CB-CB 4.27Å; C145-L150 HydrophobicContact CB-CD2 4.15Å; C145-L150 WeakPolarHBondContact O-CB 3.35Å; C145-L150 PolarHBondContact O-N 3.48Å; C145-L179 HydrophobicContact CB-CD2 3.91Å
146V94.2Very high94.4Very high33 Ų3337.4 Ų37.420%0.221%0.206CC..Hα-helixtrans-67.3-48.8173.2-175.50000109.9Q142 Q143 V144 I148 Q149 L186Q142-V146 PolarHBondContact O-N 3.02Å; Q143-V146 WeakPolarHBondContact O-CA 3.35Å; Q143-V146 VanDerWaalsContact O-CB 3.29Å; Q143-V146 WeakPolarHBondContact O-CB 3.45Å; Q143-V146 PolarHBondContact O-N 3.41Å; V144-V146 PolarHBondContact O-N 3.48Å; V146-I148 VanDerWaalsContact C-N 3.3Å; V146-I148 PolarHBondContact O-N 3.27Å; V146-Q149 WeakPolarHBondContact O-CA 3.45Å; V146-Q149 PolarHBondContact O-N 3.34Å; V146-L186 HydrophobicContact CG1-CD2 4.17Å; V146-L186 HydrophobicContact CG2-CD1 4.12Å; V146-L186 HydrophobicContact CG2-CD2 4Å; V146-L186 HydrophobicContact CG2-CG 4.23Å
147D93.6Very high94.2Very high95 Ų9531 Ų3151%0.50818%0.183SC..Hα-helixtrans-63.7-34-175.2-57.2-19000112.7Q143 V144 Q149Q143-D147 PolarHBondContact NE2-OD1 3.03Å; Q143-D147 VanDerWaalsContact O-CG 3.29Å; Q143-D147 PolarHBondContact O-N 2.88Å; V144-D147 PolarHBondContact O-N 3.26Å; V144-D147 VanDerWaalsContact O-N 3.12Å; D147-Q149 VanDerWaalsContact C-N 3.3Å
148I93.9Very high94Very high2 Ų229.1 Ų29.11%0.0117%0.173CC..THydrogen-bonded Turntrans-87.41.9173.972.9-179.9000113.1R86 M89 L90 T93 T100 G101 V144 V146 L150R86-I148 HydrophobicContact CG-CG2 4.11Å; M89-I148 HydrophobicContact CB-CD1 4.36Å; L90-I148 HydrophobicContact CD2-CB 4.46Å; L90-I148 HydrophobicContact CD2-CG2 4.25Å; L90-I148 HydrophobicContact CG-CG2 4.38Å; T93-I148 HydrophobicContact CG2-CD1 4.11Å; T100-I148 WeakPolarHBondContact CB-O 3.26Å; T100-I148 HydrophobicContact CG2-CB 4.35Å; T100-I148 HydrophobicContact CG2-CD1 4.09Å; T100-I148 HydrophobicContact CG2-CG1 4.26Å; G101-I148 PolarHBondContact N-O 3.07Å; V144-I148 HydrophobicContact CG1-CG2 4.22Å; V144-I148 WeakPolarHBondContact O-CG1 3.29Å; V144-I148 PolarHBondContact O-N 3.41Å; V146-I148 VanDerWaalsContact C-N 3.3Å; V146-I148 PolarHBondContact O-N 3.27Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 HydrophobicContact CD1-CB 4.33Å; I148-L150 HydrophobicContact CG1-CB 4.09Å; I148-L150 PolarHBondContact O-N 2.89Å
149Q92.6Very high93.7Very high92 Ų9235.6 Ų35.643%0.4320%0.195SC..THydrogen-bonded Turntrans55.838.4179.8-59.7-177.6-17.700114C145 V146 D147 V151 H152C145-Q149 PolarHBondContact O-N 2.7Å; V146-Q149 WeakPolarHBondContact O-CA 3.45Å; V146-Q149 PolarHBondContact O-N 3.34Å; D147-Q149 VanDerWaalsContact C-N 3.3Å; Q149-V151 PolarHBondContact O-N 3.35Å; Q149-H152 PolarHBondContact O-N 2.81Å; Q149-H152 VanDerWaalsContact O-N 3.07Å; Q149-H152 PolarHBondContact O-ND1 3.23Å
150L93.4Very high93.3Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-54.6-29.3-175.6-18058000113.4T93 L98 C145 I148 H152 G153 L154 L179T93-L150 HydrophobicContact CG2-CD1 3.61Å; T93-L150 HydrophobicContact CG2-CD2 4.05Å; T93-L150 HydrophobicContact CG2-CG 4.44Å; L98-L150 HydrophobicContact CB-CD1 3.88Å; L98-L150 HydrophobicContact CD1-CD1 4.03Å; C145-L150 HydrophobicContact CB-CB 4.27Å; C145-L150 HydrophobicContact CB-CD2 4.15Å; C145-L150 WeakPolarHBondContact O-CB 3.35Å; C145-L150 PolarHBondContact O-N 3.48Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 HydrophobicContact CD1-CB 4.33Å; I148-L150 HydrophobicContact CG1-CB 4.09Å; I148-L150 PolarHBondContact O-N 2.89Å; L150-H152 PolarHBondContact O-N 3.13Å; L150-G153 PolarHBondContact O-N 3.29Å; L150-L154 HydrophobicContact CG-CD1 4.28Å; L150-L154 HydrophobicContact CG-CG 4.41Å; L150-L154 PolarHBondContact O-N 3.49Å; L150-L179 HydrophobicContact CD2-CD1 4.17Å
151V91.9Very high92.9Very high9 Ų934.9 Ų34.96%0.05517%0.171CC..Hα-helixtrans-55.2-35177.8-68.50000113.5Q149 L154 C155 L186 L190Q149-V151 PolarHBondContact O-N 3.35Å; V151-L154 PolarHBondContact O-N 2.64Å; V151-C155 WeakPolarHBondContact O-CB 3.39Å; V151-C155 PolarHBondContact O-N 2.97Å; V151-C155 PolarHBondContact O-SG 2.73Å; V151-L186 HydrophobicContact CG1-CD1 3.82Å; V151-L186 HydrophobicContact CG1-CD2 4.23Å; V151-L186 HydrophobicContact CG1-CG 4.45Å; V151-L190 HydrophobicContact CB-CD2 3.73Å; V151-L190 HydrophobicContact CG1-CD2 3.94Å; V151-L190 HydrophobicContact CG1-CG 4.34Å
152H90.6Very high92.4Very high79 Ų7943.4 Ų43.437%0.36620%0.203SC..Hα-helixtrans-68.4-39177.7-6589.6000111.5Q149 L150 C155 A156Q149-H152 PolarHBondContact O-N 2.81Å; Q149-H152 VanDerWaalsContact O-N 3.07Å; Q149-H152 PolarHBondContact O-ND1 3.23Å; L150-H152 PolarHBondContact O-N 3.13Å; H152-C155 PolarHBondContact O-N 3.41Å; H152-A156 WeakPolarHBondContact O-CB 3.42Å; H152-A156 PolarHBondContact O-N 2.79Å
153G90.1Very high91.9Very high3 Ų346.6 Ų46.63%0.03122%0.224CC..Hα-helixtrans-63.4-42.4173.200000113.2R99 L150 A156 S157R99-G153 WeakPolarHBondContact O-CA 3.41Å; R99-G153 PolarHBondContact O-N 2.92Å; L150-G153 PolarHBondContact O-N 3.29Å; G153-A156 PolarHBondContact O-N 3.04Å; G153-S157 PolarHBondContact O-N 2.94Å
154L93.1Very high91.5Very high2 Ų244.8 Ų44.81%0.0121%0.214CC..Hα-helixtrans-62-48.4175.1-73.6170.6000111.1L98 L150 V151 A156 S157 L158 V172 L175 F176 L179L98-L154 HydrophobicContact CD1-CD2 3.75Å; L98-L154 HydrophobicContact CD1-CG 4.42Å; L98-L154 HydrophobicContact CD2-CD2 3.95Å; L150-L154 HydrophobicContact CG-CD1 4.28Å; L150-L154 HydrophobicContact CG-CG 4.41Å; L150-L154 PolarHBondContact O-N 3.49Å; V151-L154 PolarHBondContact O-N 2.64Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3.26Å; L154-S157 WeakPolarHBondContact O-CB 3.46Å; L154-S157 PolarHBondContact O-N 2.86Å; L154-S157 VanDerWaalsContact O-N 3.1Å; L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.42Å; L154-V172 HydrophobicContact CD2-CG1 4.12Å; L154-L175 HydrophobicContact CD1-CG 4.35Å; L154-L175 HydrophobicContact CD2-CD2 4.1Å; L154-L175 HydrophobicContact CD2-CG 4.36Å; L154-F176 HydrophobicContact CB-CD2 4Å; L154-F176 HydrophobicContact CB-CE2 4.38Å; L154-F176 HydrophobicContact CD1-CD2 4.48Å; L154-L179 HydrophobicContact CD1-CD1 3.51Å
155C93.2Very high91.2Very high2 Ų247.9 Ų47.91%0.01423%0.228CC..Hα-helixtrans-62.7-37.2176.4-68.70000112.6V151 H152 S157 L158 C194 L199V151-C155 WeakPolarHBondContact O-CB 3.39Å; V151-C155 PolarHBondContact O-N 2.97Å; V151-C155 PolarHBondContact O-SG 2.73Å; H152-C155 PolarHBondContact O-N 3.41Å; C155-S157 VanDerWaalsContact C-N 3.34Å; C155-L158 PolarHBondContact O-N 3.38Å; C155-C194 HydrophobicContact CB-CB 4.09Å; C155-C194 WeakPolarHBondContact SG-CB 3.28Å; C155-L199 HydrophobicContact CB-CD1 4.06Å
156A90.6Very high91.1Very high23 Ų2349.2 Ų49.219%0.1923%0.234CC..Hα-helixtrans-61.8-42.3171.800000111.6H152 G153 L154 L158 R159 F160H152-A156 WeakPolarHBondContact O-CB 3.42Å; H152-A156 PolarHBondContact O-N 2.79Å; G153-A156 PolarHBondContact O-N 3.04Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3.26Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 3.5Å; A156-R159 WeakPolarHBondContact O-CB 3.47Å; A156-R159 PolarHBondContact O-N 3.41Å; A156-F160 VanDerWaalsContact O-CD2 3.25Å; A156-F160 WeakPolarHBondContact O-CD2 3.33Å
157S91.4Very high91.2Very high13 Ų1351.9 Ų51.99%0.09124%0.244CC..Hα-helixtrans-60.5-40.1175.4-172.10000112.4G153 L154 C155 R159 F160 W164G153-S157 PolarHBondContact O-N 2.94Å; L154-S157 WeakPolarHBondContact O-CB 3.46Å; L154-S157 PolarHBondContact O-N 2.86Å; L154-S157 VanDerWaalsContact O-N 3.1Å; C155-S157 VanDerWaalsContact C-N 3.34Å; S157-R159 PolarHBondContact O-N 3.42Å; S157-F160 PolarHBondContact O-N 3.49Å; S157-W164 WeakPolarHBondContact O-CZ2 3.26Å
158L92.8Very high91.2Very high6 Ų648.5 Ų48.53%0.03123%0.227CC..Hα-helixtrans-57.4-33.1177.7-59.6-173.3000112.8L154 C155 A156 F160 A161 W164 V172 L173 F176 L199 L200 V203L154-L158 WeakPolarHBondContact O-CG 3.4Å; L154-L158 PolarHBondContact O-N 3.42Å; C155-L158 PolarHBondContact O-N 3.38Å; A156-L158 VanDerWaalsContact C-N 3.34Å; A156-L158 PolarHBondContact O-N 3.5Å; L158-F160 PolarHBondContact O-N 2.66Å; L158-A161 WeakPolarHBondContact O-CB 3.5Å; L158-A161 PolarHBondContact O-N 2.98Å; L158-A161 VanDerWaalsContact O-N 3.09Å; L158-W164 HydrophobicContact CD2-CH2 3.57Å; L158-W164 HydrophobicContact CD2-CZ2 4.11Å; L158-V172 HydrophobicContact CD2-CG1 4.33Å; L158-L173 HydrophobicContact CD2-CD2 4.25Å; L158-F176 HydrophobicContact CD1-CD2 4.26Å; L158-F176 HydrophobicContact CD1-CE2 3.93Å; L158-L199 HydrophobicContact CB-CB 4.08Å; L158-L199 HydrophobicContact CB-CD1 4.46Å; L158-L199 HydrophobicContact CD1-CB 3.82Å; L158-L199 HydrophobicContact CD1-CD1 4.44Å; L158-L200 HydrophobicContact CD1-CD2 3.84Å; L158-L200 HydrophobicContact CD1-CG 3.91Å; L158-L200 HydrophobicContact CD2-CD2 4.19Å; L158-V203 HydrophobicContact CB-CG2 4.41Å; L158-V203 HydrophobicContact CD2-CG2 4.43Å
159R90.6Very high91.2Very high151 Ų15148.4 Ų48.457%0.5723%0.226SC*.THydrogen-bonded Turntrans-63.6-24179.1-63.6-178.6-177.9113.11.4112.9A156 S157 L199A156-R159 WeakPolarHBondContact O-CB 3.47Å; A156-R159 PolarHBondContact O-N 3.41Å; S157-R159 PolarHBondContact O-N 3.42Å; R159-L199 HydrophobicContact CG-CD2 3.83Å
160F87.8Confident91.4Very high97 Ų9745.2 Ų45.243%0.42521%0.212SC..THydrogen-bonded Turntrans-103.317.5178.6-57.6-81.9000112.3Q112 A156 S157 L158 R162 T163Q112-F160 VanDerWaalsContact OE1-CE2 3.23Å; A156-F160 VanDerWaalsContact O-CD2 3.25Å; A156-F160 WeakPolarHBondContact O-CD2 3.33Å; S157-F160 PolarHBondContact O-N 3.49Å; L158-F160 PolarHBondContact O-N 2.66Å; F160-R162 PolarHBondContact O-N 2.92Å; F160-T163 PolarHBondContact O-N 3.27Å; F160-T163 PolarHBondContact O-OG1 3.07Å
161A88.4Confident91.6Very high14 Ų1446.5 Ų46.512%0.11622%0.218CC..G310 helixtrans-58.6-22.9-174.100000115.3L158 T163 W164 V203L158-A161 WeakPolarHBondContact O-CB 3.5Å; L158-A161 PolarHBondContact O-N 2.98Å; L158-A161 VanDerWaalsContact O-N 3.09Å; A161-T163 PolarHBondContact O-N 3.49Å; A161-W164 VanDerWaalsContact CA-CD2 3.44Å; A161-W164 HydrophobicContact CB-CD2 3.85Å; A161-W164 HydrophobicContact CB-CE3 3.6Å; A161-W164 HydrophobicContact CB-CH2 3.67Å; A161-W164 HydrophobicContact CB-CZ2 3.88Å; A161-W164 HydrophobicContact CB-CZ3 3.52Å; A161-W164 WeakPolarHBondContact O-CB 3.34Å; A161-W164 PolarHBondContact O-N 3Å; A161-V203 HydrophobicContact CB-CB 4.46Å; A161-V203 HydrophobicContact CB-CG1 4.39Å; A161-V203 HydrophobicContact CB-CG2 3.6Å
162R86.6Confident91.9Very high180 Ų18046.2 Ų46.268%0.67922%0.216SC*.G310 helixtrans-63.8-26.2176.4-56.7-168.7174.9-145.8-1.4113.3F160 H206F160-R162 PolarHBondContact O-N 2.92Å; R162-H206 VanDerWaalsContact CD-CD2 3.45Å; R162-H206 WeakPolarHBondContact CD-CD2 3.4Å; R162-H206 WeakPolarHBondContact CD-NE2 3.4Å; R162-H206 VanDerWaalsContact CG-CD2 3.47Å; R162-H206 WeakPolarHBondContact CG-CD2 3.28Å; R162-H206 WeakPolarHBondContact CG-NE2 3.49Å; R162-H206 VanDerWaalsContact CZ-CD2 3.4Å; R162-H206 PolarHBondContact NE-CD2 2.75Å; R162-H206 VanDerWaalsContact NE-CD2 3.27Å
163T86.8Confident92.2Very high89 Ų8942.4 Ų42.455%0.54620%0.198SC..G310 helixtrans-97.1-1.4-177.466.20000113F160 A161 Q165F160-T163 PolarHBondContact O-N 3.27Å; F160-T163 PolarHBondContact O-OG1 3.07Å; A161-T163 PolarHBondContact O-N 3.49Å; T163-Q165 PolarHBondContact O-N 3.08Å
164W87.9Confident92.6Very high33 Ų3347.3 Ų47.313%0.12522%0.216CC..  trans-65.9135.8-178.1-70.1-15.7000112.7S157 L158 A161 V172 L173 V203S157-W164 WeakPolarHBondContact O-CZ2 3.26Å; L158-W164 HydrophobicContact CD2-CH2 3.57Å; L158-W164 HydrophobicContact CD2-CZ2 4.11Å; A161-W164 VanDerWaalsContact CA-CD2 3.44Å; A161-W164 HydrophobicContact CB-CD2 3.85Å; A161-W164 HydrophobicContact CB-CE3 3.6Å; A161-W164 HydrophobicContact CB-CH2 3.67Å; A161-W164 HydrophobicContact CB-CZ2 3.88Å; A161-W164 HydrophobicContact CB-CZ3 3.52Å; A161-W164 WeakPolarHBondContact O-CB 3.34Å; A161-W164 PolarHBondContact O-N 3Å; W164-V172 HydrophobicContact CH2-CB 4.49Å; W164-V172 HydrophobicContact CH2-CG1 4.02Å; W164-V172 HydrophobicContact CZ2-CB 4.38Å; W164-V172 HydrophobicContact CZ2-CG1 3.87Å; W164-L173 HydrophobicContact CZ3-CD1 4.34Å; W164-L173 HydrophobicContact CZ3-CG 4.21Å; W164-V203 HydrophobicContact CZ3-CG1 4.14Å
165Q90.8Very high92.9Very high81 Ų8147.2 Ų47.238%0.37922%0.215SC..  trans-68.9152.2153.4-69.1-176.2-2400110K121 T163 E167 V168 G169K121-Q165 VanDerWaalsContact CD-NE2 3.3Å; K121-Q165 VanDerWaalsContact CD-OE1 3.28Å; K121-Q165 VanDerWaalsContact NZ-NE2 3.16Å; T163-Q165 PolarHBondContact O-N 3.08Å; Q165-E167 PolarHBondContact O-N 3.25Å; Q165-V168 PolarHBondContact O-N 3.38Å; Q165-G169 PolarHBondContact O-N 3.14Å; Q165-G169 VanDerWaalsContact O-N 3.08Å
166H93.5Very high93.1Very high29 Ų2947.2 Ų47.213%0.13422%0.215CC..Hα-helixtrans-48.6-58.5-175176.445.1000113.2V168 G169 L170 E231 E234H166-V168 VanDerWaalsContact C-N 3.33Å; H166-V168 PolarHBondContact O-N 3.29Å; H166-G169 PolarHBondContact O-N 3.21Å; H166-L170 WeakPolarHBondContact O-CB 3.36Å; H166-L170 PolarHBondContact O-N 3.14Å; H166-E231 HydrophobicContact CB-CB 4.33Å; H166-E231 HydrophobicContact CB-CG 4.35Å; H166-E231 VanDerWaalsContact CD2-CG 3.48Å; H166-E231 WeakPolarHBondContact CD2-CG 3.2Å; H166-E231 IonicContact CD2-OE1 3.49Å; H166-E231 VanDerWaalsContact CE1-CA 3.42Å; H166-E231 WeakPolarHBondContact CE1-CA 3.35Å; H166-E231 PolarHBondContact CE1-O 3.44Å; H166-E231 IonicContact CG-OE2 3.97Å; H166-E231 PolarHBondContact ND1-O 3.2Å; H166-E234 IonicContact CE1-OE2 2.71Å; H166-E234 PolarHBondContact CE1-OE2 2.92Å; H166-E234 IonicContact NE2-OE2 3.49Å; H166-E234 PolarHBondContact NE2-OE2 3.39Å
167E95Very high93.4Very high89 Ų8948.7 Ų48.742%0.41622%0.217SC..Hα-helixtrans-61.5-39-175.9-71.3-164.192.700112.9V125 K129 Q165 L170 F171V125-E167 HydrophobicContact CG1-CB 3.86Å; V125-E167 HydrophobicContact CG1-CG 4.48Å; V125-E167 HydrophobicContact CG2-CB 3.77Å; K129-E167 WeakPolarHBondContact CE-OE1 3.28Å; K129-E167 IonicContact NZ-OE1 3.69Å; K129-E167 PolarHBondContact NZ-OE1 2.88Å; Q165-E167 PolarHBondContact O-N 3.25Å; E167-L170 PolarHBondContact O-N 3.19Å; E167-F171 WeakPolarHBondContact O-CD2 3.42Å; E167-F171 PolarHBondContact O-N 3.36Å
168V93.8Very high93.7Very high24 Ų2448.9 Ų48.915%0.14522%0.218CC..Hα-helixtrans-61.4-51.5177.6176.50000109.8V124 V125 L128 Q165 H166 L170 F171 V172V124-V168 HydrophobicContact CG1-CG1 4.43Å; V124-V168 HydrophobicContact CG1-CG2 4.29Å; V125-V168 HydrophobicContact CG2-CG2 3.66Å; L128-V168 HydrophobicContact CD1-CG1 4.14Å; Q165-V168 PolarHBondContact O-N 3.38Å; H166-V168 VanDerWaalsContact C-N 3.33Å; H166-V168 PolarHBondContact O-N 3.29Å; V168-L170 VanDerWaalsContact C-N 3.35Å; V168-L170 PolarHBondContact O-N 3.44Å; V168-F171 PolarHBondContact O-N 2.93Å; V168-V172 HydrophobicContact CG1-CG2 4.38Å; V168-V172 WeakPolarHBondContact O-CB 3.35Å; V168-V172 VanDerWaalsContact O-CG2 3.24Å; V168-V172 WeakPolarHBondContact O-CG2 3.38Å; V168-V172 PolarHBondContact O-N 3.37Å
169G94.6Very high93.9Very high0 Ų048.7 Ų48.70%022%0.217CC..Hα-helixtrans-61-42.9178.800000112.7Q165 H166 F171 V172 L173Q165-G169 PolarHBondContact O-N 3.14Å; Q165-G169 VanDerWaalsContact O-N 3.08Å; H166-G169 PolarHBondContact O-N 3.21Å; G169-F171 PolarHBondContact O-N 3.46Å; G169-V172 PolarHBondContact O-N 3.01Å; G169-L173 WeakPolarHBondContact O-CB 3.33Å; G169-L173 VanDerWaalsContact O-CG 3.26Å; G169-L173 WeakPolarHBondContact O-CG 3.42Å; G169-L173 PolarHBondContact O-N 3.27Å
170L97.3Very high94.1Very high25 Ų2541.5 Ų41.513%0.13119%0.189CC..Hα-helixtrans-59-49.4178.8-177.865.9000112H166 E167 V168 L173 R174 E234 R235 E238H166-L170 WeakPolarHBondContact O-CB 3.36Å; H166-L170 PolarHBondContact O-N 3.14Å; E167-L170 PolarHBondContact O-N 3.19Å; V168-L170 VanDerWaalsContact C-N 3.35Å; V168-L170 PolarHBondContact O-N 3.44Å; L170-L173 PolarHBondContact O-N 2.91Å; L170-R174 WeakPolarHBondContact O-CB 3.4Å; L170-R174 PolarHBondContact O-N 2.89Å; L170-E234 HydrophobicContact CD1-CB 3.94Å; L170-R235 HydrophobicContact CB-CG 4.41Å; L170-E238 HydrophobicContact CD1-CG 3.71Å
171F97.4Very high94.5Very high28 Ų2838.4 Ų38.412%0.12318%0.182CC..Hα-helixtrans-78.3-25.8-177.6-71.8-74.1000113.6V125 L128 K129 E167 V168 G169 L175V125-F171 HydrophobicContact CG1-CD2 4.44Å; L128-F171 HydrophobicContact CB-CB 3.66Å; L128-F171 HydrophobicContact CD1-CB 4.3Å; K129-F171 HydrophobicContact CD-CE2 4.04Å; K129-F171 HydrophobicContact CD-CZ 4.06Å; K129-F171 VanDerWaalsContact CE-CZ 3.43Å; K129-F171 HydrophobicContact CG-CD1 3.85Å; K129-F171 HydrophobicContact CG-CD2 3.87Å; K129-F171 HydrophobicContact CG-CE1 3.6Å; K129-F171 HydrophobicContact CG-CE2 3.67Å; K129-F171 HydrophobicContact CG-CG 4Å; K129-F171 HydrophobicContact CG-CZ 3.53Å; E167-F171 WeakPolarHBondContact O-CD2 3.42Å; E167-F171 PolarHBondContact O-N 3.36Å; V168-F171 PolarHBondContact O-N 2.93Å; G169-F171 PolarHBondContact O-N 3.46Å; F171-L175 VanDerWaalsContact O-CB 3.29Å; F171-L175 WeakPolarHBondContact O-CB 3.38Å; F171-L175 PolarHBondContact O-N 3.11Å
172V97.2Very high94.9Very high2 Ų240.9 Ų40.91%0.01219%0.193CC..Hα-helixtrans-63.4-48.4167.7169.20000110.4L128 L154 L158 W164 V168 G169 L175 F176L128-V172 HydrophobicContact CD1-CG2 3.92Å; L128-V172 HydrophobicContact CD2-CG2 3.96Å; L154-V172 HydrophobicContact CD2-CG1 4.12Å; L158-V172 HydrophobicContact CD2-CG1 4.33Å; W164-V172 HydrophobicContact CH2-CB 4.49Å; W164-V172 HydrophobicContact CH2-CG1 4.02Å; W164-V172 HydrophobicContact CZ2-CB 4.38Å; W164-V172 HydrophobicContact CZ2-CG1 3.87Å; V168-V172 HydrophobicContact CG1-CG2 4.38Å; V168-V172 WeakPolarHBondContact O-CB 3.35Å; V168-V172 VanDerWaalsContact O-CG2 3.24Å; V168-V172 WeakPolarHBondContact O-CG2 3.38Å; V168-V172 PolarHBondContact O-N 3.37Å; G169-V172 PolarHBondContact O-N 3.01Å; V172-L175 PolarHBondContact O-N 3.07Å; V172-F176 WeakPolarHBondContact O-CB 3.05Å; V172-F176 PolarHBondContact O-N 3.15Å
173L98.2Very high95.2Very high0 Ų035.1 Ų35.10%017%0.171CC..Hα-helixtrans-63.6-41177.5-70169.7000112L158 W164 G169 L170 F176 F177 L200 V203 R235 E238 A239L158-L173 HydrophobicContact CD2-CD2 4.25Å; W164-L173 HydrophobicContact CZ3-CD1 4.34Å; W164-L173 HydrophobicContact CZ3-CG 4.21Å; G169-L173 WeakPolarHBondContact O-CB 3.33Å; G169-L173 VanDerWaalsContact O-CG 3.26Å; G169-L173 WeakPolarHBondContact O-CG 3.42Å; G169-L173 PolarHBondContact O-N 3.27Å; L170-L173 PolarHBondContact O-N 2.91Å; L173-F176 WeakPolarHBondContact O-CB 3.49Å; L173-F176 PolarHBondContact O-N 3.48Å; L173-F177 PolarHBondContact O-N 3.41Å; L173-L200 HydrophobicContact CD2-CD2 3.58Å; L173-V203 HydrophobicContact CD1-CG1 4.35Å; L173-V203 HydrophobicContact CD2-CG1 4.36Å; L173-R235 HydrophobicContact CD1-CB 4.11Å; L173-R235 WeakPolarHBondContact CD1-O 3.38Å; L173-E238 HydrophobicContact CB-CB 3.73Å; L173-A239 HydrophobicContact CD1-CB 4.2Å; L173-A239 HydrophobicContact CD2-CB 4.08Å
174R98.4Very high95.4Very high105 Ų10534.7 Ų34.740%0.39617%0.17SC..Hα-helixtrans-62.7-43.8174.7175.7167.9-89.4-172.8-6.3112.3L170 F176 F177 L178 E238L170-R174 WeakPolarHBondContact O-CB 3.4Å; L170-R174 PolarHBondContact O-N 2.89Å; R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 2.98Å; R174-F177 PolarHBondContact O-N 3.31Å; R174-L178 HydrophobicContact CG-CD1 4.16Å; R174-L178 HydrophobicContact CG-CG 4.44Å; R174-L178 WeakPolarHBondContact O-CB 3.32Å; R174-L178 VanDerWaalsContact O-CG 3.29Å; R174-L178 WeakPolarHBondContact O-CG 3.32Å; R174-L178 PolarHBondContact O-N 2.83Å; R174-E238 WeakPolarHBondContact CA-OE2 3.49Å; R174-E238 WeakPolarHBondContact CB-OE2 3.42Å; R174-E238 IonicContact NE-OE2 2.96Å; R174-E238 IonicContact NH2-OE1 3.26Å
175L97.9Very high95.5Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-62.6-39.7176-177.856.3000111.1L98 L128 L131 V135 L154 F171 V172 L178 L179L98-L175 HydrophobicContact CD1-CD2 3.82Å; L128-L175 HydrophobicContact CD2-CD2 4.48Å; L131-L175 HydrophobicContact CB-CD1 4.45Å; L131-L175 HydrophobicContact CB-CD2 4.14Å; L131-L175 HydrophobicContact CD1-CD2 4.23Å; V135-L175 HydrophobicContact CB-CD1 4.23Å; V135-L175 HydrophobicContact CG1-CD1 4.46Å; V135-L175 HydrophobicContact CG2-CD1 3.94Å; L154-L175 HydrophobicContact CD1-CG 4.35Å; L154-L175 HydrophobicContact CD2-CD2 4.1Å; L154-L175 HydrophobicContact CD2-CG 4.36Å; F171-L175 VanDerWaalsContact O-CB 3.29Å; F171-L175 WeakPolarHBondContact O-CB 3.38Å; F171-L175 PolarHBondContact O-N 3.11Å; V172-L175 PolarHBondContact O-N 3.07Å; L175-L178 PolarHBondContact O-N 3.31Å; L175-L179 HydrophobicContact CD1-CD1 4.28Å; L175-L179 HydrophobicContact CD1-CG 4.35Å; L175-L179 HydrophobicContact CG-CD1 4.28Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.02Å
176F97.3Very high95.5Very high2 Ų233 Ų331%0.00917%0.166CC..Hα-helixtrans-61-47.2173.8-159.5-70000111.8L154 L158 V172 L173 R174 S180 L190 A196 L200 A242 L246L154-F176 HydrophobicContact CB-CD2 4Å; L154-F176 HydrophobicContact CB-CE2 4.38Å; L154-F176 HydrophobicContact CD1-CD2 4.48Å; L158-F176 HydrophobicContact CD1-CD2 4.26Å; L158-F176 HydrophobicContact CD1-CE2 3.93Å; V172-F176 WeakPolarHBondContact O-CB 3.05Å; V172-F176 PolarHBondContact O-N 3.15Å; L173-F176 WeakPolarHBondContact O-CB 3.49Å; L173-F176 PolarHBondContact O-N 3.48Å; R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 2.98Å; F176-S180 WeakPolarHBondContact O-CB 3.17Å; F176-S180 PolarHBondContact O-N 3.38Å; F176-S180 PolarHBondContact O-OG 3.19Å; F176-L190 HydrophobicContact CE1-CD1 3.96Å; F176-L190 HydrophobicContact CE1-CD2 4.47Å; F176-L190 HydrophobicContact CE2-CD2 4Å; F176-L190 HydrophobicContact CZ-CD1 3.92Å; F176-L190 HydrophobicContact CZ-CD2 3.61Å; F176-L190 HydrophobicContact CZ-CG 4.23Å; F176-A196 HydrophobicContact CE1-CB 4.47Å; F176-A196 HydrophobicContact CE2-CB 4.38Å; F176-A196 HydrophobicContact CZ-CB 3.61Å; F176-L200 HydrophobicContact CD1-CD1 4.21Å; F176-L200 HydrophobicContact CE1-CD1 3.84Å; F176-L200 HydrophobicContact CZ-CD1 4.28Å; F176-A242 HydrophobicContact CD1-CB 3.81Å; F176-A242 HydrophobicContact CE1-CB 4.48Å; F176-L246 HydrophobicContact CE1-CD1 3.99Å; F176-L246 HydrophobicContact CE1-CD2 4.44Å; F176-L246 HydrophobicContact CE1-CG 4.43Å; F176-L246 HydrophobicContact CZ-CD1 4.38Å
177F98Very high95.4Very high54 Ų5433.9 Ų33.924%0.23717%0.168CC..Hα-helixtrans-58.1-48.4174.5163.5-110000111.5L173 R174 S180 A181 K241 A242 N245L173-F177 PolarHBondContact O-N 3.41Å; R174-F177 PolarHBondContact O-N 3.31Å; F177-S180 WeakPolarHBondContact CA-OG 3.13Å; F177-S180 PolarHBondContact O-N 2.95Å; F177-S180 PolarHBondContact O-OG 2.88Å; F177-A181 HydrophobicContact CE2-CB 4.27Å; F177-A181 HydrophobicContact CZ-CB 4.45Å; F177-A181 VanDerWaalsContact O-CB 3.22Å; F177-A181 WeakPolarHBondContact O-CB 3.38Å; F177-A181 PolarHBondContact O-N 3.37Å; F177-K241 HydrophobicContact CD2-CB 3.49Å; F177-K241 VanDerWaalsContact CD2-CB 3.49Å; F177-K241 HydrophobicContact CE2-CB 3.8Å; F177-K241 HydrophobicContact CG-CB 4.01Å; F177-A242 HydrophobicContact CB-CB 4.36Å; F177-N245 WeakPolarHBondContact CD2-ND2 3.47Å; F177-N245 WeakPolarHBondContact CE2-ND2 3.42Å; F177-N245 PolarHBondContact O-ND2 3.08Å
178L98Very high95Very high18 Ų1831.4 Ų31.49%0.09417%0.166CC..Hα-helixtrans-60.8-48.2-179.4-73.2173000112.2C132 V135 Y136 R174 L175 A181 L182C132-L178 HydrophobicContact CB-CD1 3.84Å; C132-L178 WeakPolarHBondContact O-CD1 3.23Å; V135-L178 HydrophobicContact CG1-CB 4.32Å; Y136-L178 HydrophobicContact CD2-CD2 3.79Å; Y136-L178 HydrophobicContact CG-CD2 4.5Å; R174-L178 HydrophobicContact CG-CD1 4.16Å; R174-L178 HydrophobicContact CG-CG 4.44Å; R174-L178 WeakPolarHBondContact O-CB 3.32Å; R174-L178 VanDerWaalsContact O-CG 3.29Å; R174-L178 WeakPolarHBondContact O-CG 3.32Å; R174-L178 PolarHBondContact O-N 2.83Å; L175-L178 PolarHBondContact O-N 3.31Å; L178-A181 PolarHBondContact O-N 3.48Å; L178-L182 HydrophobicContact CB-CD1 4.42Å; L178-L182 HydrophobicContact CD2-CD1 4.43Å; L178-L182 VanDerWaalsContact O-CB 3.28Å; L178-L182 WeakPolarHBondContact O-CB 3.41Å; L178-L182 WeakPolarHBondContact O-CD1 3.24Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.22Å; L178-L182 PolarHBondContact O-N 3.14Å
179L96.1Very high94.8Very high2 Ų233 Ų331%0.0117%0.174CC..Hα-helixtrans-64-46.1178.9-73.2171000111.4V135 C145 L150 L154 L175 A181 L182 R183 L186V135-L179 HydrophobicContact CG1-CD2 3.64Å; V135-L179 HydrophobicContact CG1-CG 4.12Å; V135-L179 HydrophobicContact CG2-CD2 4.38Å; C145-L179 HydrophobicContact CB-CD2 3.91Å; L150-L179 HydrophobicContact CD2-CD1 4.17Å; L154-L179 HydrophobicContact CD1-CD1 3.51Å; L175-L179 HydrophobicContact CD1-CD1 4.28Å; L175-L179 HydrophobicContact CD1-CG 4.35Å; L175-L179 HydrophobicContact CG-CD1 4.28Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.02Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 2.8Å; L179-L182 PolarHBondContact O-N 3.45Å; L179-R183 WeakPolarHBondContact O-CB 3.38Å; L179-R183 PolarHBondContact O-N 2.82Å; L179-L186 HydrophobicContact CB-CD1 4.48Å
180S95.3Very high94.7Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-65.3-30.8177.360.30000113F176 F177 R187 N245F176-S180 WeakPolarHBondContact O-CB 3.17Å; F176-S180 PolarHBondContact O-N 3.38Å; F176-S180 PolarHBondContact O-OG 3.19Å; F177-S180 WeakPolarHBondContact CA-OG 3.13Å; F177-S180 PolarHBondContact O-N 2.95Å; F177-S180 PolarHBondContact O-OG 2.88Å; S180-R187 PolarHBondContact O-NE 3.37Å; S180-R187 PolarHBondContact O-NH2 3.11Å; S180-N245 PolarHBondContact OG-ND2 3.35Å
181A95.8Very high94.2Very high32 Ų3232.9 Ų32.926%0.26417%0.171SC..Hα-helixtrans-72.4-52.217600000111.5F177 L178 L179 R187 N245F177-A181 HydrophobicContact CE2-CB 4.27Å; F177-A181 HydrophobicContact CZ-CB 4.45Å; F177-A181 VanDerWaalsContact O-CB 3.22Å; F177-A181 WeakPolarHBondContact O-CB 3.38Å; F177-A181 PolarHBondContact O-N 3.37Å; L178-A181 PolarHBondContact O-N 3.48Å; L179-A181 VanDerWaalsContact C-N 3.28Å; L179-A181 PolarHBondContact O-N 2.8Å; A181-R187 PolarHBondContact O-NH2 3.45Å; A181-R187 VanDerWaalsContact O-NH2 3.14Å; A181-N245 WeakPolarHBondContact CA-ND2 3.14Å; A181-N245 WeakPolarHBondContact CB-ND2 3.31Å; A181-N245 PolarHBondContact N-ND2 3.38Å
182L96.1Very high93.6Very high66 Ų6636.8 Ų36.835%0.34619%0.188SC..Hα-helixtrans-82.3-21-169.7-63.2166.4000113.3V135 L178 L179V135-L182 HydrophobicContact CG1-CD1 4.37Å; L178-L182 HydrophobicContact CB-CD1 4.42Å; L178-L182 HydrophobicContact CD2-CD1 4.43Å; L178-L182 VanDerWaalsContact O-CB 3.28Å; L178-L182 WeakPolarHBondContact O-CB 3.41Å; L178-L182 WeakPolarHBondContact O-CD1 3.24Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.22Å; L178-L182 PolarHBondContact O-N 3.14Å; L179-L182 PolarHBondContact O-N 3.45Å
183R93.8Very high93.1Very high58 Ų5842 Ų4222%0.21922%0.216CC..  trans-123.784178.7-68.3-58.3-55.8-161-13.2111.4Q142 L179 D185 L186Q142-R183 HydrophobicContact CB-CG 4.12Å; L179-R183 WeakPolarHBondContact O-CB 3.38Å; L179-R183 PolarHBondContact O-N 2.82Å; R183-D185 WeakPolarHBondContact CA-OD1 3.2Å; R183-D185 VanDerWaalsContact CB-OD1 3.3Å; R183-D185 WeakPolarHBondContact CB-OD1 3.27Å; R183-D185 IonicContact CZ-OD1 3.79Å; R183-D185 IonicContact CZ-OD2 2.69Å; R183-D185 IonicContact NE-OD1 2.85Å; R183-D185 PolarHBondContact NE-OD1 2.87Å; R183-D185 IonicContact NE-OD2 2.74Å; R183-D185 PolarHBondContact NE-OD2 3.26Å; R183-D185 VanDerWaalsContact NH2-CG 3.3Å; R183-D185 IonicContact NH2-OD1 3.89Å; R183-D185 PolarHBondContact NH2-OD1 3.33Å; R183-D185 IonicContact NH2-OD2 3.33Å; R183-D185 PolarHBondContact NH2-OD2 2.9Å; R183-D185 PolarHBondContact O-N 3.27Å; R183-L186 HydrophobicContact CB-CB 4.34Å; R183-L186 HydrophobicContact CB-CD1 3.68Å; R183-L186 HydrophobicContact CB-CG 3.83Å; R183-L186 HydrophobicContact CG-CD1 4.27Å; R183-L186 WeakPolarHBondContact O-CB 3.46Å; R183-L186 PolarHBondContact O-N 3.37Å
184P91.4Very high92.6Very high80 Ų8042.3 Ų42.352%0.51922%0.218SC..THydrogen-bonded Turntrans-59.7-29.2179.8-24.534.6000114L186 R187P184-L186 PolarHBondContact O-N 2.98Å; P184-R187 WeakPolarHBondContact O-CB 3.38Å; P184-R187 WeakPolarHBondContact O-CG 3.44Å; P184-R187 PolarHBondContact O-N 3.18Å; P184-R187 VanDerWaalsContact O-N 3.1Å
185D89.6Confident92.2Very high76 Ų7642.5 Ų42.541%0.40622%0.223SC..Hα-helixtrans-58.6-31.3174.358.2-49.4000112.9R183 R187R183-D185 WeakPolarHBondContact CA-OD1 3.2Å; R183-D185 VanDerWaalsContact CB-OD1 3.3Å; R183-D185 WeakPolarHBondContact CB-OD1 3.27Å; R183-D185 IonicContact CZ-OD1 3.79Å; R183-D185 IonicContact CZ-OD2 2.69Å; R183-D185 IonicContact NE-OD1 2.85Å; R183-D185 PolarHBondContact NE-OD1 2.87Å; R183-D185 IonicContact NE-OD2 2.74Å; R183-D185 PolarHBondContact NE-OD2 3.26Å; R183-D185 VanDerWaalsContact NH2-CG 3.3Å; R183-D185 IonicContact NH2-OD1 3.89Å; R183-D185 PolarHBondContact NH2-OD1 3.33Å; R183-D185 IonicContact NH2-OD2 3.33Å; R183-D185 PolarHBondContact NH2-OD2 2.9Å; R183-D185 PolarHBondContact O-N 3.27Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 2.86Å
186L91.2Very high92Very high3 Ų342.5 Ų42.52%0.01622%0.223CC..Hα-helixtrans-74.3-20.8177-66.3180000113.4V146 V151 L179 R183 P184 G188 I189 L190V146-L186 HydrophobicContact CG1-CD2 4.17Å; V146-L186 HydrophobicContact CG2-CD1 4.12Å; V146-L186 HydrophobicContact CG2-CD2 4Å; V146-L186 HydrophobicContact CG2-CG 4.23Å; V151-L186 HydrophobicContact CG1-CD1 3.82Å; V151-L186 HydrophobicContact CG1-CD2 4.23Å; V151-L186 HydrophobicContact CG1-CG 4.45Å; L179-L186 HydrophobicContact CB-CD1 4.48Å; R183-L186 HydrophobicContact CB-CB 4.34Å; R183-L186 HydrophobicContact CB-CD1 3.68Å; R183-L186 HydrophobicContact CB-CG 3.83Å; R183-L186 HydrophobicContact CG-CD1 4.27Å; R183-L186 WeakPolarHBondContact O-CB 3.46Å; R183-L186 PolarHBondContact O-N 3.37Å; P184-L186 PolarHBondContact O-N 2.98Å; L186-G188 VanDerWaalsContact C-N 3.29Å; L186-G188 PolarHBondContact O-N 2.98Å; L186-I189 HydrophobicContact CD2-CD1 4.28Å; L186-I189 PolarHBondContact O-N 2.99Å; L186-L190 HydrophobicContact CB-CD1 4.32Å; L186-L190 WeakPolarHBondContact O-CB 3.39Å; L186-L190 VanDerWaalsContact O-CG 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.25Å; L186-L190 PolarHBondContact O-N 3.31Å
187R91.4Very high91.8Very high47 Ų4742.5 Ų42.518%0.17722%0.224CC..Hα-helixtrans-62.7-37.8-174.6-62.5173.3-172.7176.17.1111.9S180 A181 P184 D185 R191 N245 L246S180-R187 PolarHBondContact O-NE 3.37Å; S180-R187 PolarHBondContact O-NH2 3.11Å; A181-R187 PolarHBondContact O-NH2 3.45Å; A181-R187 VanDerWaalsContact O-NH2 3.14Å; P184-R187 WeakPolarHBondContact O-CB 3.38Å; P184-R187 WeakPolarHBondContact O-CG 3.44Å; P184-R187 PolarHBondContact O-N 3.18Å; P184-R187 VanDerWaalsContact O-N 3.1Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 2.86Å; R187-R191 VanDerWaalsContact O-CB 3.28Å; R187-R191 WeakPolarHBondContact O-CB 3.39Å; R187-R191 PolarHBondContact O-N 2.97Å; R187-N245 WeakPolarHBondContact CD-O 3.39Å; R187-L246 HydrophobicContact CB-CD2 4.43Å; R187-L246 HydrophobicContact CG-CD2 4.5Å
188G87.4Confident91.6Very high37 Ų3746.7 Ų46.738%0.38124%0.238SC..Hα-helixtrans-63.2-48.2176.600000112.2L186 R191 K192L186-G188 VanDerWaalsContact C-N 3.29Å; L186-G188 PolarHBondContact O-N 2.98Å; G188-R191 PolarHBondContact O-N 3.18Å; G188-K192 WeakPolarHBondContact O-CB 3.48Å; G188-K192 PolarHBondContact O-N 2.78Å
189I89.1Confident91.5Very high59 Ų5946.5 Ų46.530%0.30324%0.237SC..Hα-helixtrans-62-48.9177.5-60.5171.1000110.1L186 R191 D193 C194L186-I189 HydrophobicContact CD2-CD1 4.28Å; L186-I189 PolarHBondContact O-N 2.99Å; I189-R191 VanDerWaalsContact C-N 3.29Å; I189-R191 PolarHBondContact O-N 3.01Å; I189-D193 HydrophobicContact CG2-CB 4.23Å; I189-D193 WeakPolarHBondContact O-CA 3.48Å; I189-D193 WeakPolarHBondContact O-CB 3.29Å; I189-D193 PolarHBondContact O-N 3.03Å; I189-C194 PolarHBondContact O-N 2.93Å; I189-C194 VanDerWaalsContact O-N 3.11Å
190L91.1Very high91.5Very high2 Ų246.4 Ų46.41%0.0124%0.236CC..Hα-helixtrans-59.3-40.6179.4-74.5172.8000112.1V151 F176 L186 H195 A196 L246V151-L190 HydrophobicContact CB-CD2 3.73Å; V151-L190 HydrophobicContact CG1-CD2 3.94Å; V151-L190 HydrophobicContact CG1-CG 4.34Å; F176-L190 HydrophobicContact CE1-CD1 3.96Å; F176-L190 HydrophobicContact CE1-CD2 4.47Å; F176-L190 HydrophobicContact CE2-CD2 4Å; F176-L190 HydrophobicContact CZ-CD1 3.92Å; F176-L190 HydrophobicContact CZ-CD2 3.61Å; F176-L190 HydrophobicContact CZ-CG 4.23Å; L186-L190 HydrophobicContact CB-CD1 4.32Å; L186-L190 WeakPolarHBondContact O-CB 3.39Å; L186-L190 VanDerWaalsContact O-CG 3.28Å; L186-L190 WeakPolarHBondContact O-CG 3.25Å; L186-L190 PolarHBondContact O-N 3.31Å; L190-H195 PolarHBondContact O-N 3.33Å; L190-A196 HydrophobicContact CB-CB 4.18Å; L190-A196 HydrophobicContact CD2-CB 4.46Å; L190-A196 WeakPolarHBondContact O-CB 3.49Å; L190-A196 PolarHBondContact O-N 3.48Å; L190-L246 HydrophobicContact CB-CD2 3.71Å; L190-L246 HydrophobicContact CD1-CD2 3.87Å; L190-L246 HydrophobicContact CG-CD2 4.46Å
191R87.9Confident91.5Very high19 Ų1946.6 Ų46.67%0.07224%0.238CC..Hα-helixtrans-74.1-51.2-179.7-175174.5173.8-179-0.9112.1R187 G188 I189 H195 V197 S249 S251 D256R187-R191 VanDerWaalsContact O-CB 3.28Å; R187-R191 WeakPolarHBondContact O-CB 3.39Å; R187-R191 PolarHBondContact O-N 2.97Å; G188-R191 PolarHBondContact O-N 3.18Å; I189-R191 VanDerWaalsContact C-N 3.29Å; I189-R191 PolarHBondContact O-N 3.01Å; R191-H195 WeakPolarHBondContact O-CA 3.29Å; R191-V197 HydrophobicContact CG-CG2 4.25Å; R191-S249 PolarHBondContact NH1-O 3.25Å; R191-S249 PolarHBondContact NH1-OG 2.89Å; R191-S251 PolarHBondContact NH1-O 3.33Å; R191-S251 PolarHBondContact NH2-O 3.31Å; R191-D256 IonicContact CZ-OD2 2.79Å; R191-D256 IonicContact NE-OD2 3.99Å; R191-D256 PolarHBondContact NE-OD2 3.22Å; R191-D256 IonicContact NH2-OD2 3.84Å; R191-D256 PolarHBondContact NH2-OD2 2.95Å
192K85.4Confident91.5Very high111 Ų11148.5 Ų48.548%0.48324%0.241SC..Hα-helixtrans-84.5-50.2-171-66.1-175.4177.3-1780112.8G188 H195G188-K192 WeakPolarHBondContact O-CB 3.48Å; G188-K192 PolarHBondContact O-N 2.78Å; K192-H195 PolarHBondContact O-CE1 3.32Å; K192-H195 VanDerWaalsContact O-CE1 3.27Å; K192-H195 PolarHBondContact O-ND1 3.27Å
193D86.1Confident91.5Very high111 Ų11145.6 Ų45.659%0.59423%0.226SC*.THydrogen-bonded Turntrans-88-37.3-169.1-53.2-16.4000111.1I189I189-D193 HydrophobicContact CG2-CB 4.23Å; I189-D193 WeakPolarHBondContact O-CA 3.48Å; I189-D193 WeakPolarHBondContact O-CB 3.29Å; I189-D193 PolarHBondContact O-N 3.03Å
194C88Confident91.7Very high7 Ų742.8 Ų42.85%0.04722%0.216CC..SBendtrans-96-7.8-179.1-61.50000114.5C155 I189 A196C155-C194 HydrophobicContact CB-CB 4.09Å; C155-C194 WeakPolarHBondContact SG-CB 3.28Å; I189-C194 PolarHBondContact O-N 2.93Å; I189-C194 VanDerWaalsContact O-N 3.11Å; C194-A196 PolarHBondContact O-N 3.26Å; C194-A196 VanDerWaalsContact O-N 3.16Å
195H90.2Very high91.9Very high108 Ų10841.1 Ų41.150%0.520%0.201SC..  trans48.238.4-173-56.2-61.4000113.6L190 R191 K192 V197 R198 L199L190-H195 PolarHBondContact O-N 3.33Å; R191-H195 WeakPolarHBondContact O-CA 3.29Å; K192-H195 PolarHBondContact O-CE1 3.32Å; K192-H195 VanDerWaalsContact O-CE1 3.27Å; K192-H195 PolarHBondContact O-ND1 3.27Å; H195-V197 VanDerWaalsContact C-N 3.25Å; H195-V197 PolarHBondContact O-N 3.1Å; H195-R198 WeakPolarHBondContact O-CB 3.42Å; H195-R198 PolarHBondContact O-N 3.07Å; H195-R198 VanDerWaalsContact O-N 3.12Å; H195-L199 PolarHBondContact O-N 3.47Å
196A93.1Very high92.1Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-65.3-25.9-170.200000114F176 L190 C194 L199 L200 L246F176-A196 HydrophobicContact CE1-CB 4.47Å; F176-A196 HydrophobicContact CE2-CB 4.38Å; F176-A196 HydrophobicContact CZ-CB 3.61Å; L190-A196 HydrophobicContact CB-CB 4.18Å; L190-A196 HydrophobicContact CD2-CB 4.46Å; L190-A196 WeakPolarHBondContact O-CB 3.49Å; L190-A196 PolarHBondContact O-N 3.48Å; C194-A196 PolarHBondContact O-N 3.26Å; C194-A196 VanDerWaalsContact O-N 3.16Å; A196-L199 PolarHBondContact O-N 2.9Å; A196-L200 WeakPolarHBondContact O-CB 3.42Å; A196-L200 VanDerWaalsContact O-CG 3.31Å; A196-L200 WeakPolarHBondContact O-CG 3.29Å; A196-L200 PolarHBondContact O-N 3.13Å; A196-L246 HydrophobicContact CB-CD1 3.76Å
197V92.9Very high92.2Very high3 Ų341.9 Ų41.92%0.01820%0.202CC..Hα-helixtrans-60.2-48.1173.71760000110R191 H195 L200 S201 L243 L246 F260R191-V197 HydrophobicContact CG-CG2 4.25Å; H195-V197 VanDerWaalsContact C-N 3.25Å; H195-V197 PolarHBondContact O-N 3.1Å; V197-L200 PolarHBondContact O-N 3.47Å; V197-S201 WeakPolarHBondContact O-CB 3.41Å; V197-S201 PolarHBondContact O-N 3.34Å; V197-S201 PolarHBondContact O-OG 3.23Å; V197-L243 HydrophobicContact CB-CD2 4.4Å; V197-L243 HydrophobicContact CG1-CD2 4.02Å; V197-L246 HydrophobicContact CG2-CB 3.99Å; V197-L246 HydrophobicContact CG2-CD1 4.05Å; V197-F260 HydrophobicContact CG1-CE1 4.37Å
198R93.6Very high92.4Very high141 Ų14140.1 Ų40.153%0.53220%0.196SC..Hα-helixtrans-60.3-48.7175.5178.1-175.8165.7175.60.9111.6H195 L200 S201 E202H195-R198 WeakPolarHBondContact O-CB 3.42Å; H195-R198 PolarHBondContact O-N 3.07Å; H195-R198 VanDerWaalsContact O-N 3.12Å; R198-L200 PolarHBondContact O-N 3.24Å; R198-S201 WeakPolarHBondContact O-CB 3.48Å; R198-S201 PolarHBondContact O-N 2.99Å; R198-E202 WeakPolarHBondContact CG-OE1 3.47Å; R198-E202 IonicContact CZ-OE1 3.58Å; R198-E202 IonicContact NE-OE1 2.7Å; R198-E202 PolarHBondContact NE-OE1 3.41Å; R198-E202 IonicContact NH2-OE1 3.86Å; R198-E202 PolarHBondContact NH2-OE1 3.4Å; R198-E202 WeakPolarHBondContact O-CG 3.3Å; R198-E202 PolarHBondContact O-N 3.24Å
199L95.4Very high92.6Very high14 Ų1443.3 Ų43.37%0.07320%0.204CC..Hα-helixtrans-60.8-43.5-179.2-65.9174.3000112.1C155 L158 R159 H195 A196 E202 V203C155-L199 HydrophobicContact CB-CD1 4.06Å; L158-L199 HydrophobicContact CB-CB 4.08Å; L158-L199 HydrophobicContact CB-CD1 4.46Å; L158-L199 HydrophobicContact CD1-CB 3.82Å; L158-L199 HydrophobicContact CD1-CD1 4.44Å; R159-L199 HydrophobicContact CG-CD2 3.83Å; H195-L199 PolarHBondContact O-N 3.47Å; A196-L199 PolarHBondContact O-N 2.9Å; L199-E202 PolarHBondContact O-N 2.58Å; L199-V203 VanDerWaalsContact O-CG2 3.23Å; L199-V203 WeakPolarHBondContact O-CG2 3.38Å; L199-V203 PolarHBondContact O-N 2.91Å
200L96.8Very high92.7Very high0 Ų041.1 Ų41.10%019%0.194CC..Hα-helixtrans-69.1-33.6177.1-72168.7000112.3L158 L173 F176 A196 V197 R198 V203 L204 A242 L243 L246L158-L200 HydrophobicContact CD1-CD2 3.84Å; L158-L200 HydrophobicContact CD1-CG 3.91Å; L158-L200 HydrophobicContact CD2-CD2 4.19Å; L173-L200 HydrophobicContact CD2-CD2 3.58Å; F176-L200 HydrophobicContact CD1-CD1 4.21Å; F176-L200 HydrophobicContact CE1-CD1 3.84Å; F176-L200 HydrophobicContact CZ-CD1 4.28Å; A196-L200 WeakPolarHBondContact O-CB 3.42Å; A196-L200 VanDerWaalsContact O-CG 3.31Å; A196-L200 WeakPolarHBondContact O-CG 3.29Å; A196-L200 PolarHBondContact O-N 3.13Å; V197-L200 PolarHBondContact O-N 3.47Å; R198-L200 PolarHBondContact O-N 3.24Å; L200-V203 WeakPolarHBondContact O-CB 3.47Å; L200-V203 PolarHBondContact O-N 3.2Å; L200-L204 PolarHBondContact O-N 3.43Å; L200-A242 HydrophobicContact CD1-CB 3.85Å; L200-A242 HydrophobicContact CD2-CB 4.45Å; L200-L243 HydrophobicContact CB-CD1 4.06Å; L200-L243 HydrophobicContact CB-CD2 3.69Å; L200-L243 HydrophobicContact CB-CG 3.7Å; L200-L243 HydrophobicContact CD1-CD2 4.17Å; L200-L243 HydrophobicContact CD1-CG 4.06Å; L200-L246 HydrophobicContact CD1-CD1 3.82Å
201S95.8Very high92.8Very high5 Ų548.9 Ų48.94%0.03522%0.223CC..Hα-helixtrans-63.2-42.9170.9-63.70000111.6V197 R198 V203 L204 E205V197-S201 WeakPolarHBondContact O-CB 3.41Å; V197-S201 PolarHBondContact O-N 3.34Å; V197-S201 PolarHBondContact O-OG 3.23Å; R198-S201 WeakPolarHBondContact O-CB 3.48Å; R198-S201 PolarHBondContact O-N 2.99Å; S201-V203 VanDerWaalsContact C-N 3.32Å; S201-V203 PolarHBondContact O-N 3.29Å; S201-L204 PolarHBondContact O-N 3.36Å; S201-E205 WeakPolarHBondContact O-CB 3.13Å; S201-E205 PolarHBondContact O-N 3.04Å
202E95.4Very high93Very high72 Ų7251.6 Ų51.634%0.33623%0.233SC..Hα-helixtrans-63.3-36.7174.7-70171-172.100111.7R198 L199 H206R198-E202 WeakPolarHBondContact CG-OE1 3.47Å; R198-E202 IonicContact CZ-OE1 3.58Å; R198-E202 IonicContact NE-OE1 2.7Å; R198-E202 PolarHBondContact NE-OE1 3.41Å; R198-E202 IonicContact NH2-OE1 3.86Å; R198-E202 PolarHBondContact NH2-OE1 3.4Å; R198-E202 WeakPolarHBondContact O-CG 3.3Å; R198-E202 PolarHBondContact O-N 3.24Å; L199-E202 PolarHBondContact O-N 2.58Å; E202-H206 PolarHBondContact O-N 3.14Å; E202-H206 VanDerWaalsContact O-N 3.08Å
203V96.7Very high93.3Very high4 Ų450.4 Ų50.42%0.02424%0.235CC..Hα-helixtrans-63-46.2172.5174.30000111L158 A161 W164 L173 L199 L200 S201 H206 T207L158-V203 HydrophobicContact CB-CG2 4.41Å; L158-V203 HydrophobicContact CD2-CG2 4.43Å; A161-V203 HydrophobicContact CB-CB 4.46Å; A161-V203 HydrophobicContact CB-CG1 4.39Å; A161-V203 HydrophobicContact CB-CG2 3.6Å; W164-V203 HydrophobicContact CZ3-CG1 4.14Å; L173-V203 HydrophobicContact CD1-CG1 4.35Å; L173-V203 HydrophobicContact CD2-CG1 4.36Å; L199-V203 VanDerWaalsContact O-CG2 3.23Å; L199-V203 WeakPolarHBondContact O-CG2 3.38Å; L199-V203 PolarHBondContact O-N 2.91Å; L200-V203 WeakPolarHBondContact O-CB 3.47Å; L200-V203 PolarHBondContact O-N 3.2Å; S201-V203 VanDerWaalsContact C-N 3.32Å; S201-V203 PolarHBondContact O-N 3.29Å; V203-H206 PolarHBondContact O-N 2.64Å; V203-T207 VanDerWaalsContact O-CB 3.28Å; V203-T207 WeakPolarHBondContact O-CB 3.46Å; V203-T207 PolarHBondContact O-N 2.94Å; V203-T207 PolarHBondContact O-OG1 2.97Å
204L96.9Very high93.4Very high0 Ų046.5 Ų46.50%022%0.221CC..Hα-helixtrans-62.4-47176.8-81.3-179.4000111.5L200 S201 H206 T207 L208 A236 A239 L240 L243 L263 I266L200-L204 PolarHBondContact O-N 3.43Å; S201-L204 PolarHBondContact O-N 3.36Å; L204-H206 VanDerWaalsContact C-N 3.27Å; L204-H206 PolarHBondContact O-N 3.28Å; L204-T207 PolarHBondContact O-N 3.01Å; L204-T207 VanDerWaalsContact O-N 3.17Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.33Å; L204-A236 HydrophobicContact CD2-CB 3.98Å; L204-A239 HydrophobicContact CD2-CB 3.69Å; L204-A239 HydrophobicContact CG-CB 3.89Å; L204-L240 HydrophobicContact CD1-CD2 3.94Å; L204-L240 HydrophobicContact CD2-CG 4.48Å; L204-L243 HydrophobicContact CD1-CD1 3.37Å; L204-L243 HydrophobicContact CG-CD1 4.25Å; L204-L263 HydrophobicContact CD1-CD1 4.34Å; L204-I266 HydrophobicContact CB-CG2 4.04Å
205E95.6Very high93.3Very high45 Ų4551.1 Ų51.121%0.2125%0.249CC..Hα-helixtrans-52.2-48177.5-172-171.6157.600111.1S201 D209 V210 W212 I266S201-E205 WeakPolarHBondContact O-CB 3.13Å; S201-E205 PolarHBondContact O-N 3.04Å; E205-D209 PolarHBondContact O-N 2.88Å; E205-V210 HydrophobicContact CG-CB 3.89Å; E205-V210 HydrophobicContact CG-CG2 4.37Å; E205-V210 PolarHBondContact O-N 3.29Å; E205-W212 HydrophobicContact CG-CZ2 4.35Å; E205-W212 PolarHBondContact OE1-NE1 3.4Å; E205-I266 HydrophobicContact CB-CD1 4.05Å
206H94Very high93.4Very high86 Ų8649 Ų4940%0.39824%0.237SC..Hα-helixtrans-74.6-34.5179.7-158.4-75.8000113.5R162 E202 V203 L204 L208 D209R162-H206 VanDerWaalsContact CD-CD2 3.45Å; R162-H206 WeakPolarHBondContact CD-CD2 3.4Å; R162-H206 WeakPolarHBondContact CD-NE2 3.4Å; R162-H206 VanDerWaalsContact CG-CD2 3.47Å; R162-H206 WeakPolarHBondContact CG-CD2 3.28Å; R162-H206 WeakPolarHBondContact CG-NE2 3.49Å; R162-H206 VanDerWaalsContact CZ-CD2 3.4Å; R162-H206 PolarHBondContact NE-CD2 2.75Å; R162-H206 VanDerWaalsContact NE-CD2 3.27Å; E202-H206 PolarHBondContact O-N 3.14Å; E202-H206 VanDerWaalsContact O-N 3.08Å; V203-H206 PolarHBondContact O-N 2.64Å; L204-H206 VanDerWaalsContact C-N 3.27Å; L204-H206 PolarHBondContact O-N 3.28Å; H206-L208 PolarHBondContact O-N 2.89Å; H206-D209 PolarHBondContact O-N 3.39Å
207T94.6Very high93.2Very high8 Ų850.5 Ų50.55%0.04924%0.244CC..Hα-helixtrans-65.8-29.5177.8-60.10000111.5V203 L204 N232 R235 A236V203-T207 VanDerWaalsContact O-CB 3.28Å; V203-T207 WeakPolarHBondContact O-CB 3.46Å; V203-T207 PolarHBondContact O-N 2.94Å; V203-T207 PolarHBondContact O-OG1 2.97Å; L204-T207 PolarHBondContact O-N 3.01Å; L204-T207 VanDerWaalsContact O-N 3.17Å; T207-N232 HydrophobicContact CG2-CB 3.91Å; T207-N232 VanDerWaalsContact CG2-O 3.24Å; T207-N232 WeakPolarHBondContact CG2-O 3.45Å; T207-N232 PolarHBondContact O-ND2 3Å; T207-N232 VanDerWaalsContact O-ND2 3.14Å; T207-R235 HydrophobicContact CG2-CB 4.05Å; T207-A236 HydrophobicContact CG2-CB 4.35Å
208L93.8Very high93Very high11 Ų1150.5 Ų50.56%0.05825%0.245CC..THydrogen-bonded Turntrans-98.50.9-178-60175000113.6L204 H206 V210 L228 A236 I266 L270 L273L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.33Å; H206-L208 PolarHBondContact O-N 2.89Å; L208-V210 HydrophobicContact CB-CG2 3.81Å; L208-V210 PolarHBondContact O-N 3.05Å; L208-L228 HydrophobicContact CD2-CD1 3.93Å; L208-L228 HydrophobicContact CD2-CD2 3.85Å; L208-A236 HydrophobicContact CD2-CB 4.25Å; L208-I266 HydrophobicContact CD1-CG2 3.94Å; L208-L270 HydrophobicContact CD1-CB 4.2Å; L208-L270 HydrophobicContact CD1-CD1 4.05Å; L208-L270 HydrophobicContact CD1-CD2 4.35Å; L208-L270 HydrophobicContact CD1-CG 4.45Å; L208-L270 HydrophobicContact CD2-CD1 3.75Å; L208-L273 HydrophobicContact CD2-CD1 4.04Å
209D92Very high92.7Very high103 Ų10345 Ų4555%0.55123%0.23SC*.THydrogen-bonded Turntrans48.344.8-172.5-16742.8000112.5E205 H206 R211E205-D209 PolarHBondContact O-N 2.88Å; H206-D209 PolarHBondContact O-N 3.39Å; D209-R211 PolarHBondContact O-N 3.12Å; D209-R211 IonicContact OD2-CZ 3.11Å; D209-R211 IonicContact OD2-NE 2.75Å; D209-R211 IonicContact OD2-NH2 3.22Å; D209-R211 PolarHBondContact OD2-NH2 3.39Å; D209-R211 VanDerWaalsContact OD2-NH2 3.07Å
210V92.6Very high92.1Very high13 Ų1348.8 Ų48.88%0.07924%0.243CC..  trans-65.1126.6-177.3-178.40000109.9E205 L208 W212 A218E205-V210 HydrophobicContact CG-CB 3.89Å; E205-V210 HydrophobicContact CG-CG2 4.37Å; E205-V210 PolarHBondContact O-N 3.29Å; L208-V210 HydrophobicContact CB-CG2 3.81Å; L208-V210 PolarHBondContact O-N 3.05Å; V210-W212 HydrophobicContact CG1-CD2 4.22Å; V210-W212 HydrophobicContact CG1-CH2 4.31Å; V210-W212 HydrophobicContact CG1-CZ2 3.86Å; V210-A218 HydrophobicContact CG1-CB 3.67Å
211R92.3Very high91.6Very high165 Ų16550 Ų5062%0.62325%0.251SS*.  trans-106.6114.5175.4-61.8-177.5-171.51735.4110.1D209 A219D209-R211 PolarHBondContact O-N 3.12Å; D209-R211 IonicContact OD2-CZ 3.11Å; D209-R211 IonicContact OD2-NE 2.75Å; D209-R211 IonicContact OD2-NH2 3.22Å; D209-R211 PolarHBondContact OD2-NH2 3.39Å; D209-R211 VanDerWaalsContact OD2-NH2 3.07Å; R211-A219 HydrophobicContact CB-CB 4.07Å; R211-A219 VanDerWaalsContact O-CB 3.31Å; R211-A219 WeakPolarHBondContact O-CB 3.46Å; R211-A219 PolarHBondContact O-N 2.98Å
212W92.6Very high90.9Very high76 Ų7654.5 Ų54.529%0.28827%0.274SS..EExtended strand (participates in β ladder)trans-80.9130178.4-59.6102.5000111.6E205 V210 A218 L262 A265 I266E205-W212 HydrophobicContact CG-CZ2 4.35Å; E205-W212 PolarHBondContact OE1-NE1 3.4Å; V210-W212 HydrophobicContact CG1-CD2 4.22Å; V210-W212 HydrophobicContact CG1-CH2 4.31Å; V210-W212 HydrophobicContact CG1-CZ2 3.86Å; W212-A218 HydrophobicContact CE3-CB 4.46Å; W212-A218 HydrophobicContact CZ3-CB 4.26Å; W212-L262 HydrophobicContact CH2-CD1 3.42Å; W212-L262 VanDerWaalsContact CH2-CD1 3.42Å; W212-L262 HydrophobicContact CH2-CG 4.24Å; W212-L262 HydrophobicContact CZ2-CD1 3.47Å; W212-L262 VanDerWaalsContact CZ2-CD1 3.47Å; W212-L262 HydrophobicContact CZ2-CG 4.24Å; W212-L262 HydrophobicContact CZ3-CD1 3.99Å; W212-A265 HydrophobicContact CH2-CB 3.7Å; W212-A265 HydrophobicContact CZ3-CB 3.59Å; W212-I266 HydrophobicContact CH2-CG1 3.81Å; W212-I266 HydrophobicContact CZ2-CD1 4.25Å; W212-I266 HydrophobicContact CZ2-CG1 3.74Å
213V90.6Very high90Very high87 Ų8756.8 Ų56.853%0.52730%0.295SS..EExtended strand (participates in β ladder)trans-110.1-13.1171.3-65.30000112.2E217 A219V213-E217 HydrophobicContact CG2-CB 3.94Å; V213-E217 HydrophobicContact CG2-CG 3.41Å; V213-E217 VanDerWaalsContact CG2-CG 3.41Å; V213-E217 WeakPolarHBondContact CG2-O 3.44Å; V213-E217 WeakPolarHBondContact CG2-OE1 3.39Å; V213-E217 PolarHBondContact N-O 3.46Å; V213-A219 HydrophobicContact CG1-CB 4.03Å
214G87.8Confident89.1Confident29 Ų2964.9 Ų64.930%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-157.2177.8173.900000111.1Y216 E217G214-Y216 VanDerWaalsContact C-N 3.29Å; G214-Y216 PolarHBondContact O-N 3.47Å; G214-E217 PolarHBondContact N-O 3.14Å; G214-E217 PolarHBondContact O-N 3Å
215T87.6Confident88.3Confident103 Ų10367.6 Ų67.663%0.63236%0.355SS*.THydrogen-bonded Turntrans-55.7-38.9-171.5-48.90000114.1
216Y90.8Very high87.8Confident65 Ų6573.2 Ų73.226%0.25539%0.386SS..THydrogen-bonded Turntrans-128.124.2176.2-50.5-57.7000111.1G214 H258 R261 A265 V302G214-Y216 VanDerWaalsContact C-N 3.29Å; G214-Y216 PolarHBondContact O-N 3.47Å; Y216-H258 AromaticContact CE1-CE1 3.7Å; Y216-H258 AromaticContact CE1-ND1 3.44Å; Y216-H258 WeakPolarHBondContact CE1-ND1 3.43Å; Y216-H258 AromaticContact CZ-ND1 3.55Å; Y216-H258 PolarHBondContact OH-ND1 3.41Å; Y216-R261 HydrophobicContact CD1-CB 3.77Å; Y216-R261 HydrophobicContact CD2-CB 4.45Å; Y216-R261 HydrophobicContact CE1-CB 3.59Å; Y216-R261 HydrophobicContact CE2-CB 4.31Å; Y216-R261 HydrophobicContact CG-CB 4.21Å; Y216-A265 WeakPolarHBondContact O-CB 3.43Å; Y216-V302 HydrophobicContact CG-CG2 4.37Å
217E88.8Confident87.6Confident31 Ų3172 Ų7215%0.14539%0.386CS..EExtended strand (participates in β ladder)trans-116.5101.1-174.7-171-176.516600110V213 G214 V306 P307 Q309V213-E217 HydrophobicContact CG2-CB 3.94Å; V213-E217 HydrophobicContact CG2-CG 3.41Å; V213-E217 VanDerWaalsContact CG2-CG 3.41Å; V213-E217 WeakPolarHBondContact CG2-O 3.44Å; V213-E217 WeakPolarHBondContact CG2-OE1 3.39Å; V213-E217 PolarHBondContact N-O 3.46Å; G214-E217 PolarHBondContact N-O 3.14Å; G214-E217 PolarHBondContact O-N 3Å; E217-V306 HydrophobicContact CG-CG1 3.76Å; E217-P307 VanDerWaalsContact CD-CD 3.46Å; E217-P307 VanDerWaalsContact OE2-CD 3.24Å; E217-P307 WeakPolarHBondContact OE2-CD 3.48Å; E217-Q309 PolarHBondContact OE1-NE2 3.46Å
218A89.6Confident87.4Confident3 Ų372.4 Ų72.43%0.02539%0.387CS..EExtended strand (participates in β ladder)trans-76.5134.9165.600000109.7V210 W212 H269V210-A218 HydrophobicContact CG1-CB 3.67Å; W212-A218 HydrophobicContact CE3-CB 4.46Å; W212-A218 HydrophobicContact CZ3-CB 4.26Å; A218-H269 HydrophobicContact CB-CB 3.85Å
219A87.3Confident87.4Confident26 Ų2675 Ų7522%0.21541%0.405CS..PPolyproline II helixtrans-53.6140.1173.400000110.1R211 V213 H269R211-A219 HydrophobicContact CB-CB 4.07Å; R211-A219 VanDerWaalsContact O-CB 3.31Å; R211-A219 WeakPolarHBondContact O-CB 3.46Å; R211-A219 PolarHBondContact O-N 2.98Å; V213-A219 HydrophobicContact CG1-CB 4.03Å; A219-H269 PolarHBondContact O-ND1 3.21Å
220R83.8Confident87.5Confident92 Ų9273 Ų7335%0.34740%0.397SS..PPolyproline II helixtrans-63.1130.8176.3-167.2176.9-175-177-2.4108.9D222 Q309 E321R220-D222 PolarHBondContact O-N 3.28Å; R220-Q309 PolarHBondContact NH1-O 3.41Å; R220-E321 IonicContact CZ-OE1 2.88Å; R220-E321 IonicContact CZ-OE2 2.74Å; R220-E321 IonicContact NE-OE1 3.72Å; R220-E321 IonicContact NE-OE2 2.62Å; R220-E321 PolarHBondContact NE-OE2 2.89Å; R220-E321 VanDerWaalsContact NH2-CD 3.33Å; R220-E321 IonicContact NH2-OE1 2.98Å; R220-E321 PolarHBondContact NH2-OE1 3.18Å; R220-E321 IonicContact NH2-OE2 3.01Å; R220-E321 PolarHBondContact NH2-OE2 3.28Å
221P84.6Confident87.6Confident26 Ų2677.5 Ų77.517%0.16942%0.417CS..PPolyproline II helixtrans-55.5138.7169.5-21.731.5000110.2P223 M272 L273P221-P223 WeakPolarHBondContact O-CD 3.32Å; P221-M272 HydrophobicContact CG-CB 3.97Å; P221-L273 HydrophobicContact CB-CD2 3.82Å; P221-L273 HydrophobicContact CG-CD2 3.62Å; P221-L273 HydrophobicContact CG-CG 4.35Å
222D81.8Confident87.7Confident100 Ų10071.4 Ų71.454%0.53540%0.397SS..PPolyproline II helixtrans-60.7127.2172.9179-6.2000108.6R220 Q224 A225R220-D222 PolarHBondContact O-N 3.28Å; D222-Q224 PolarHBondContact O-N 3.37Å; D222-Q224 PolarHBondContact OD1-N 2.77Å; D222-A225 HydrophobicContact CB-CB 4.07Å; D222-A225 WeakPolarHBondContact O-CB 3.28Å; D222-A225 PolarHBondContact O-N 2.82Å
223P76.4Confident87.9Confident119 Ų11968 Ų6877%0.77338%0.384SS*.THydrogen-bonded Turntrans-55.3-22.4175.6-26.434.9000114.3P221P221-P223 WeakPolarHBondContact O-CD 3.32Å
224Q78.1Confident88.2Confident175 Ų17567.3 Ų67.382%0.81838%0.375SS*.THydrogen-bonded Turntrans-98.84.4175.7-60.3-175.73.400113.4D222D222-Q224 PolarHBondContact O-N 3.37Å; D222-Q224 PolarHBondContact OD1-N 2.77Å
225A79.4Confident88.6Confident57 Ų5767.5 Ų67.547%0.47137%0.367SS..SBendtrans-59.1147.6176.100000111.2D222D222-A225 HydrophobicContact CB-CB 4.07Å; D222-A225 WeakPolarHBondContact O-CB 3.28Å; D222-A225 PolarHBondContact O-N 2.82Å
226L85.1Confident89.1Confident163 Ų16362.6 Ų62.685%0.85334%0.337SS*.PPolyproline II helixtrans-60.7145.7169.8-73.2164.2000109.9
227P89.6Confident89.4Confident61 Ų6159.9 Ų59.940%0.39633%0.326SS..PPolyproline II helixtrans-55.8153173.5-22.332.1000112.1P229 K274P227-P229 WeakPolarHBondContact O-CD 3.39Å; P227-K274 CarbonylContact C-O 3.5Å; P227-K274 VanDerWaalsContact CA-O 3.29Å; P227-K274 WeakPolarHBondContact CA-O 3.38Å
228L91.1Very high89.9Confident15 Ų1558.9 Ų58.98%0.07932%0.322CS..BIsolated β-bridgetrans-56123.2174.2-176.769.6000109.3L208 N232 N233 K274 T275L208-L228 HydrophobicContact CD2-CD1 3.93Å; L208-L228 HydrophobicContact CD2-CD2 3.85Å; L228-N232 HydrophobicContact CD1-CB 3.81Å; L228-N232 HydrophobicContact CG-CB 4.19Å; L228-N233 HydrophobicContact CD2-CB 3.89Å; L228-N233 HydrophobicContact CG-CB 4.35Å; L228-K274 PolarHBondContact N-O 3.23Å; L228-T275 HydrophobicContact CB-CG2 4.38Å
229P93.4Very high90.3Very high67 Ų6758.7 Ų58.744%0.43532%0.321SS..PPolyproline II helixtrans-57.8143.6-179.6-25.834.6000112.1P227 E231 N232 N233P227-P229 WeakPolarHBondContact O-CD 3.39Å; P229-E231 VanDerWaalsContact C-N 3.27Å; P229-E231 PolarHBondContact O-N 3.38Å; P229-N232 PolarHBondContact O-N 3.22Å; P229-N233 PolarHBondContact O-N 3.49Å
230T94.6Very high90.8Very high60 Ų6057.5 Ų57.537%0.36831%0.311SS..Hα-helixtrans-49-46179.6-710000113.1N232 N233 E234 E276T230-N232 VanDerWaalsContact C-N 3.35Å; T230-N232 PolarHBondContact O-N 3.06Å; T230-N233 WeakPolarHBondContact O-CB 3.39Å; T230-N233 PolarHBondContact O-N 2.98Å; T230-E234 HydrophobicContact CG2-CG 4.38Å; T230-E234 WeakPolarHBondContact O-CG 3.36Å; T230-E234 PolarHBondContact O-N 3.32Å; T230-E276 WeakPolarHBondContact CB-OE1 3.37Å; T230-E276 PolarHBondContact N-OE1 2.93Å; T230-E276 VanDerWaalsContact N-OE1 3.13Å; T230-E276 PolarHBondContact OG1-OE1 3.17Å; T230-E276 PolarHBondContact OG1-OE2 2.98Å; T230-E276 VanDerWaalsContact OG1-OE2 3.08Å
231E95.2Very high91.5Very high107 Ų10755.1 Ų55.150%0.530%0.303SS..Hα-helixtrans-60.9-41.6-179.6-63.9-169.9168.100112.8H166 P229 R235H166-E231 HydrophobicContact CB-CB 4.33Å; H166-E231 HydrophobicContact CB-CG 4.35Å; H166-E231 VanDerWaalsContact CD2-CG 3.48Å; H166-E231 WeakPolarHBondContact CD2-CG 3.2Å; H166-E231 IonicContact CD2-OE1 3.49Å; H166-E231 VanDerWaalsContact CE1-CA 3.42Å; H166-E231 WeakPolarHBondContact CE1-CA 3.35Å; H166-E231 PolarHBondContact CE1-O 3.44Å; H166-E231 IonicContact CG-OE2 3.97Å; H166-E231 PolarHBondContact ND1-O 3.2Å; P229-E231 VanDerWaalsContact C-N 3.27Å; P229-E231 PolarHBondContact O-N 3.38Å; E231-R235 WeakPolarHBondContact O-CG 3.45Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 VanDerWaalsContact O-N 3.17Å
232N94.8Very high92.1Very high38 Ų3853.9 Ų53.920%0.20330%0.295CS..Hα-helixtrans-69.7-39176.8-69.93.5000110.9T207 L228 P229 T230 R235 A236T207-N232 HydrophobicContact CG2-CB 3.91Å; T207-N232 VanDerWaalsContact CG2-O 3.24Å; T207-N232 WeakPolarHBondContact CG2-O 3.45Å; T207-N232 PolarHBondContact O-ND2 3Å; T207-N232 VanDerWaalsContact O-ND2 3.14Å; L228-N232 HydrophobicContact CD1-CB 3.81Å; L228-N232 HydrophobicContact CG-CB 4.19Å; P229-N232 PolarHBondContact O-N 3.22Å; T230-N232 VanDerWaalsContact C-N 3.35Å; T230-N232 PolarHBondContact O-N 3.06Å; N232-R235 PolarHBondContact O-N 3.11Å; N232-R235 PolarHBondContact OD1-NH2 3.23Å; N232-A236 VanDerWaalsContact O-CB 3.28Å; N232-A236 WeakPolarHBondContact O-CB 3.17Å; N232-A236 PolarHBondContact O-N 3.41Å
233N96.3Very high92.8Very high5 Ų549.1 Ų49.13%0.02727%0.269CS..Hα-helixtrans-62.2-43.8176.3-170.744.8000111.9L228 P229 T230 A236 M237 T275 V284L228-N233 HydrophobicContact CD2-CB 3.89Å; L228-N233 HydrophobicContact CG-CB 4.35Å; P229-N233 PolarHBondContact O-N 3.49Å; T230-N233 WeakPolarHBondContact O-CB 3.39Å; T230-N233 PolarHBondContact O-N 2.98Å; N233-A236 PolarHBondContact O-N 3.42Å; N233-M237 WeakPolarHBondContact O-CG 3.38Å; N233-M237 PolarHBondContact O-N 3.29Å; N233-T275 HydrophobicContact CB-CG2 4.38Å; N233-V284 WeakPolarHBondContact OD1-CB 3.47Å
234E96.6Very high93.7Very high71 Ų7146.4 Ų46.433%0.33225%0.245SC..Hα-helixtrans-60.8-46.4176.2-72.3-178.8161.400112.2H166 L170 T230 M237 E238H166-E234 IonicContact CE1-OE2 2.71Å; H166-E234 PolarHBondContact CE1-OE2 2.92Å; H166-E234 IonicContact NE2-OE2 3.49Å; H166-E234 PolarHBondContact NE2-OE2 3.39Å; L170-E234 HydrophobicContact CD1-CB 3.94Å; T230-E234 HydrophobicContact CG2-CG 4.38Å; T230-E234 WeakPolarHBondContact O-CG 3.36Å; T230-E234 PolarHBondContact O-N 3.32Å; E234-M237 PolarHBondContact O-N 3.21Å; E234-E238 PolarHBondContact O-N 3.12Å; E234-E238 VanDerWaalsContact O-N 3.1Å
235R96.8Very high94.5Very high33 Ų3338.6 Ų38.613%0.12521%0.209CC..Hα-helixtrans-64.3-42.3176.4-71.3-172.9-67.6169.3-1.4111.8L170 L173 T207 E231 N232 M237 E238 A239L170-R235 HydrophobicContact CB-CG 4.41Å; L173-R235 HydrophobicContact CD1-CB 4.11Å; L173-R235 WeakPolarHBondContact CD1-O 3.38Å; T207-R235 HydrophobicContact CG2-CB 4.05Å; E231-R235 WeakPolarHBondContact O-CG 3.45Å; E231-R235 PolarHBondContact O-N 2.91Å; E231-R235 VanDerWaalsContact O-N 3.17Å; N232-R235 PolarHBondContact O-N 3.11Å; N232-R235 PolarHBondContact OD1-NH2 3.23Å; R235-M237 VanDerWaalsContact C-N 3.35Å; R235-M237 PolarHBondContact O-N 2.84Å; R235-E238 PolarHBondContact O-N 2.95Å; R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 3.47Å
236A97.7Very high95.1Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-59.3-46.3176.300000111.1L204 T207 L208 N232 N233 E238 A239 L240L204-A236 HydrophobicContact CD2-CB 3.98Å; T207-A236 HydrophobicContact CG2-CB 4.35Å; L208-A236 HydrophobicContact CD2-CB 4.25Å; N232-A236 VanDerWaalsContact O-CB 3.28Å; N232-A236 WeakPolarHBondContact O-CB 3.17Å; N232-A236 PolarHBondContact O-N 3.41Å; N233-A236 PolarHBondContact O-N 3.42Å; A236-E238 PolarHBondContact O-N 3.4Å; A236-A239 PolarHBondContact O-N 3.16Å; A236-L240 VanDerWaalsContact O-CG 3.24Å; A236-L240 WeakPolarHBondContact O-CG 3.22Å; A236-L240 PolarHBondContact O-N 2.88Å
237M97.8Very high95.4Very high8 Ų828.4 Ų28.44%0.03915%0.148CC..Hα-helixtrans-61.5-42.9177.6-72.5-172.3-65.300113.1N233 E234 R235 L240 K241 E283 V284N233-M237 WeakPolarHBondContact O-CG 3.38Å; N233-M237 PolarHBondContact O-N 3.29Å; E234-M237 PolarHBondContact O-N 3.21Å; R235-M237 VanDerWaalsContact C-N 3.35Å; R235-M237 PolarHBondContact O-N 2.84Å; M237-L240 PolarHBondContact O-N 2.96Å; M237-K241 VanDerWaalsContact O-CG 3.26Å; M237-K241 WeakPolarHBondContact O-CG 3.36Å; M237-K241 PolarHBondContact O-N 2.88Å; M237-E283 HydrophobicContact SD-CB 4.34Å; M237-E283 HydrophobicContact SD-CG 3.77Å; M237-V284 HydrophobicContact CG-CB 4.21Å; M237-V284 HydrophobicContact CG-CG2 4.15Å
238E97.8Very high95.2Very high10 Ų1029.1 Ų29.15%0.04715%0.148CC..Hα-helixtrans-67.2-37.3176.8-67.1-62.3133.200112L170 L173 R174 E234 R235 A236 K241 A242L170-E238 HydrophobicContact CD1-CG 3.71Å; L173-E238 HydrophobicContact CB-CB 3.73Å; R174-E238 WeakPolarHBondContact CA-OE2 3.49Å; R174-E238 WeakPolarHBondContact CB-OE2 3.42Å; R174-E238 IonicContact NE-OE2 2.96Å; R174-E238 IonicContact NH2-OE1 3.26Å; E234-E238 PolarHBondContact O-N 3.12Å; E234-E238 VanDerWaalsContact O-N 3.1Å; R235-E238 PolarHBondContact O-N 2.95Å; A236-E238 PolarHBondContact O-N 3.4Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 2.65Å; E238-K241 PolarHBondContact OE1-NZ 3.4Å; E238-A242 PolarHBondContact O-N 2.98Å
239A98.2Very high94.2Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-64.7-41.8173.300000112.4L173 L204 R235 A236 K241 A242 L243L173-A239 HydrophobicContact CD1-CB 4.2Å; L173-A239 HydrophobicContact CD2-CB 4.08Å; L204-A239 HydrophobicContact CD2-CB 3.69Å; L204-A239 HydrophobicContact CG-CB 3.89Å; R235-A239 WeakPolarHBondContact O-CB 3.44Å; R235-A239 PolarHBondContact O-N 3.47Å; A236-A239 PolarHBondContact O-N 3.16Å; A239-K241 PolarHBondContact O-N 3.12Å; A239-A242 PolarHBondContact O-N 3.42Å; A239-L243 WeakPolarHBondContact O-CB 3.43Å; A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 3.21Å
240L98.4Very high92.4Very high1 Ų135.8 Ų35.81%0.00518%0.176CC..Hα-helixtrans-60.7-43174.8-71.2171.3000111.9L204 A236 M237 L243 F244 L267 L270 V284 H287 L291L204-L240 HydrophobicContact CD1-CD2 3.94Å; L204-L240 HydrophobicContact CD2-CG 4.48Å; A236-L240 VanDerWaalsContact O-CG 3.24Å; A236-L240 WeakPolarHBondContact O-CG 3.22Å; A236-L240 PolarHBondContact O-N 2.88Å; M237-L240 PolarHBondContact O-N 2.96Å; L240-L243 PolarHBondContact O-N 3.42Å; L240-F244 WeakPolarHBondContact O-CB 3.44Å; L240-F244 PolarHBondContact O-N 3.25Å; L240-L267 HydrophobicContact CD2-CD2 3.37Å; L240-L270 HydrophobicContact CD1-CD2 3.78Å; L240-L270 HydrophobicContact CD2-CD2 4.34Å; L240-L270 HydrophobicContact CG-CD2 4.47Å; L240-V284 HydrophobicContact CD1-CG2 4.06Å; L240-H287 HydrophobicContact CB-CB 4.07Å; L240-H287 HydrophobicContact CD1-CB 3.74Å; L240-L291 HydrophobicContact CD2-CD2 3.7Å
241K97.5Very high90.5Very high42 Ų4235.4 Ų35.418%0.18318%0.176CC..Hα-helixtrans-63.3-42.2177-68.3168.9-163.1171.80111.7F177 M237 E238 A239 F244 N245 H287F177-K241 HydrophobicContact CD2-CB 3.49Å; F177-K241 VanDerWaalsContact CD2-CB 3.49Å; F177-K241 HydrophobicContact CE2-CB 3.8Å; F177-K241 HydrophobicContact CG-CB 4.01Å; M237-K241 VanDerWaalsContact O-CG 3.26Å; M237-K241 WeakPolarHBondContact O-CG 3.36Å; M237-K241 PolarHBondContact O-N 2.88Å; E238-K241 PolarHBondContact O-N 2.98Å; E238-K241 IonicContact OE1-NZ 2.65Å; E238-K241 PolarHBondContact OE1-NZ 3.4Å; A239-K241 PolarHBondContact O-N 3.12Å; K241-F244 PolarHBondContact O-N 3.45Å; K241-N245 PolarHBondContact O-N 3.27Å; K241-H287 VanDerWaalsContact CE-NE2 3.32Å; K241-H287 WeakPolarHBondContact CE-NE2 3.45Å
242A96.8Very high88.8Confident0 Ų036.5 Ų36.50%018%0.176CC..Hα-helixtrans-63.5-47.317500000111.8F176 F177 L200 E238 A239 F244 N245 L246F176-A242 HydrophobicContact CD1-CB 3.81Å; F176-A242 HydrophobicContact CE1-CB 4.48Å; F177-A242 HydrophobicContact CB-CB 4.36Å; L200-A242 HydrophobicContact CD1-CB 3.85Å; L200-A242 HydrophobicContact CD2-CB 4.45Å; E238-A242 PolarHBondContact O-N 2.98Å; A239-A242 PolarHBondContact O-N 3.42Å; A242-F244 VanDerWaalsContact C-N 3.31Å; A242-F244 PolarHBondContact O-N 3.39Å; A242-N245 PolarHBondContact O-N 2.89Å; A242-L246 WeakPolarHBondContact O-CG 3.34Å; A242-L246 PolarHBondContact O-N 3.16Å; A242-L246 VanDerWaalsContact O-N 3.16Å
243L96.8Very high87.2Confident0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-60.7-39.6176-80.1164.9000112.2V197 L200 L204 A239 L240 N245 L246 T247 L263 L291V197-L243 HydrophobicContact CB-CD2 4.4Å; V197-L243 HydrophobicContact CG1-CD2 4.02Å; L200-L243 HydrophobicContact CB-CD1 4.06Å; L200-L243 HydrophobicContact CB-CD2 3.69Å; L200-L243 HydrophobicContact CB-CG 3.7Å; L200-L243 HydrophobicContact CD1-CD2 4.17Å; L200-L243 HydrophobicContact CD1-CG 4.06Å; L204-L243 HydrophobicContact CD1-CD1 3.37Å; L204-L243 HydrophobicContact CG-CD1 4.25Å; A239-L243 WeakPolarHBondContact O-CB 3.43Å; A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 3.21Å; L240-L243 PolarHBondContact O-N 3.42Å; L243-N245 VanDerWaalsContact C-N 3.35Å; L243-N245 PolarHBondContact O-N 2.83Å; L243-L246 PolarHBondContact O-N 3.45Å; L243-T247 WeakPolarHBondContact O-CB 3.24Å; L243-T247 VanDerWaalsContact O-CG2 3.29Å; L243-T247 WeakPolarHBondContact O-CG2 3.42Å; L243-T247 PolarHBondContact O-N 3.43Å; L243-T247 PolarHBondContact O-OG1 3.39Å; L243-L263 HydrophobicContact CD1-CD1 4.05Å; L243-L263 HydrophobicContact CD2-CD2 4.39Å; L243-L291 HydrophobicContact CB-CD1 3.96Å; L243-L291 HydrophobicContact CB-CD2 3.65Å; L243-L291 HydrophobicContact CD1-CD2 4.04Å; L243-L291 HydrophobicContact CG-CD2 4.47Å
244F96.3Very high85.4Confident61 Ų6146.3 Ų46.327%0.26822%0.223SC..Hα-helixtrans-55.8-50.8174.4179.5-95.5000110.4L240 K241 A242 L246 T247 L248 N290 N294L240-F244 WeakPolarHBondContact O-CB 3.44Å; L240-F244 PolarHBondContact O-N 3.25Å; K241-F244 PolarHBondContact O-N 3.45Å; A242-F244 VanDerWaalsContact C-N 3.31Å; A242-F244 PolarHBondContact O-N 3.39Å; F244-L246 VanDerWaalsContact C-N 3.32Å; F244-L246 PolarHBondContact O-N 2.87Å; F244-T247 WeakPolarHBondContact CA-OG1 3.48Å; F244-T247 PolarHBondContact O-N 2.97Å; F244-T247 PolarHBondContact O-OG1 2.85Å; F244-L248 HydrophobicContact CD1-CD1 4.26Å; F244-L248 HydrophobicContact CD1-CG 4.42Å; F244-L248 HydrophobicContact CE1-CD1 3.9Å; F244-L248 HydrophobicContact CE1-CD2 3.93Å; F244-L248 HydrophobicContact CE1-CG 4.12Å; F244-L248 HydrophobicContact CE2-CD2 4.34Å; F244-L248 HydrophobicContact CZ-CD2 3.77Å; F244-L248 HydrophobicContact CZ-CG 4.42Å; F244-L248 WeakPolarHBondContact O-CG 3.28Å; F244-L248 PolarHBondContact O-N 2.93Å; F244-N290 HydrophobicContact CD2-CB 3.93Å; F244-N290 WeakPolarHBondContact CD2-O 2.93Å; F244-N290 HydrophobicContact CE2-CB 3.89Å; F244-N290 WeakPolarHBondContact CE2-O 3.47Å; F244-N294 WeakPolarHBondContact CD2-ND2 3.17Å; F244-N294 VanDerWaalsContact CE2-ND2 3.28Å; F244-N294 WeakPolarHBondContact CE2-ND2 3.23Å; F244-N294 PolarHBondContact O-ND2 3.49Å
245N95.1Very high83.6Confident12 Ų1251 Ų516%0.06424%0.244CC..Hα-helixtrans-59.4-40.6178.9-68.6-19.4000113.2F177 S180 A181 R187 K241 A242 L243 T247F177-N245 WeakPolarHBondContact CD2-ND2 3.47Å; F177-N245 WeakPolarHBondContact CE2-ND2 3.42Å; F177-N245 PolarHBondContact O-ND2 3.08Å; S180-N245 PolarHBondContact OG-ND2 3.35Å; A181-N245 WeakPolarHBondContact CA-ND2 3.14Å; A181-N245 WeakPolarHBondContact CB-ND2 3.31Å; A181-N245 PolarHBondContact N-ND2 3.38Å; R187-N245 WeakPolarHBondContact CD-O 3.39Å; K241-N245 PolarHBondContact O-N 3.27Å; A242-N245 PolarHBondContact O-N 2.89Å; L243-N245 VanDerWaalsContact C-N 3.35Å; L243-N245 PolarHBondContact O-N 2.83Å; N245-T247 VanDerWaalsContact C-N 3.33Å
246L92.4Very high82.5Confident0 Ų050.6 Ų50.60%025%0.245CC..Hα-helixtrans-70.5-30.4-179.7-63.5-174.3000112.9F176 R187 L190 A196 V197 L200 A242 L243 F244 S249F176-L246 HydrophobicContact CE1-CD1 3.99Å; F176-L246 HydrophobicContact CE1-CD2 4.44Å; F176-L246 HydrophobicContact CE1-CG 4.43Å; F176-L246 HydrophobicContact CZ-CD1 4.38Å; R187-L246 HydrophobicContact CB-CD2 4.43Å; R187-L246 HydrophobicContact CG-CD2 4.5Å; L190-L246 HydrophobicContact CB-CD2 3.71Å; L190-L246 HydrophobicContact CD1-CD2 3.87Å; L190-L246 HydrophobicContact CG-CD2 4.46Å; A196-L246 HydrophobicContact CB-CD1 3.76Å; V197-L246 HydrophobicContact CG2-CB 3.99Å; V197-L246 HydrophobicContact CG2-CD1 4.05Å; L200-L246 HydrophobicContact CD1-CD1 3.82Å; A242-L246 WeakPolarHBondContact O-CG 3.34Å; A242-L246 PolarHBondContact O-N 3.16Å; A242-L246 VanDerWaalsContact O-N 3.16Å; L243-L246 PolarHBondContact O-N 3.45Å; F244-L246 VanDerWaalsContact C-N 3.32Å; F244-L246 PolarHBondContact O-N 2.87Å; L246-S249 PolarHBondContact O-OG 3.31Å
247T90.1Very high81.7Confident5 Ų553.2 Ų53.23%0.03126%0.259CS..Hα-helixtrans-87.5-6-177.553.60000114L243 F244 N245 S249 F260 L291 N294L243-T247 WeakPolarHBondContact O-CB 3.24Å; L243-T247 VanDerWaalsContact O-CG2 3.29Å; L243-T247 WeakPolarHBondContact O-CG2 3.42Å; L243-T247 PolarHBondContact O-N 3.43Å; L243-T247 PolarHBondContact O-OG1 3.39Å; F244-T247 WeakPolarHBondContact CA-OG1 3.48Å; F244-T247 PolarHBondContact O-N 2.97Å; F244-T247 PolarHBondContact O-OG1 2.85Å; N245-T247 VanDerWaalsContact C-N 3.33Å; T247-S249 PolarHBondContact O-N 2.73Å; T247-F260 HydrophobicContact CG2-CE1 3.99Å; T247-L291 HydrophobicContact CG2-CD1 3.98Å; T247-L291 VanDerWaalsContact OG1-CD1 3.29Å; T247-L291 WeakPolarHBondContact OG1-CD1 3.3Å; T247-N294 WeakPolarHBondContact OG1-CB 3.49Å; T247-N294 PolarHBondContact OG1-ND2 3.11Å
248L86.4Confident81.3Confident77 Ų7757.6 Ų57.640%0.40328%0.279SS..THydrogen-bonded Turntrans-66.8-13.1174.1-73.6173.2000114.4F244F244-L248 HydrophobicContact CD1-CD1 4.26Å; F244-L248 HydrophobicContact CD1-CG 4.42Å; F244-L248 HydrophobicContact CE1-CD1 3.9Å; F244-L248 HydrophobicContact CE1-CD2 3.93Å; F244-L248 HydrophobicContact CE1-CG 4.12Å; F244-L248 HydrophobicContact CE2-CD2 4.34Å; F244-L248 HydrophobicContact CZ-CD2 3.77Å; F244-L248 HydrophobicContact CZ-CG 4.42Å; F244-L248 WeakPolarHBondContact O-CG 3.28Å; F244-L248 PolarHBondContact O-N 2.93Å
249S69.4Low80.9Confident32 Ų3259.3 Ų59.322%0.22429%0.287CS..  trans-83.2134.7-171.251.80000113.8R191 L246 T247 S251R191-S249 PolarHBondContact NH1-O 3.25Å; R191-S249 PolarHBondContact NH1-OG 2.89Å; L246-S249 PolarHBondContact O-OG 3.31Å; T247-S249 PolarHBondContact O-N 2.73Å; S249-S251 PolarHBondContact O-N 2.91Å
250E54.6Low80.6Confident189 Ų18959.7 Ų59.788%0.88329%0.289SS*.SBendtrans-70.7-19.5-172-67.2179168.800115.2R252E250-R252 VanDerWaalsContact C-N 3.3Å; E250-R252 PolarHBondContact O-N 3.06Å
251S55.1Low80.4Confident53 Ų5362.3 Ų62.337%0.37130%0.299SS..  trans-75.383.4178.269.10000110.4R191 S249R191-S251 PolarHBondContact NH1-O 3.33Å; R191-S251 PolarHBondContact NH2-O 3.31Å; S249-S251 PolarHBondContact O-N 2.91Å
252R61Low80.2Confident130 Ų13062.2 Ų62.249%0.49130%0.3SS..  trans-86.6107.3174.1-61.3-179.6-175.4-139.7-3.9108E250 N294 L295 P296E250-R252 VanDerWaalsContact C-N 3.3Å; E250-R252 PolarHBondContact O-N 3.06Å; R252-N294 PolarHBondContact NH2-O 2.97Å; R252-L295 PolarHBondContact NH1-O 3.21Å; R252-P296 VanDerWaalsContact NH1-CA 3.33Å
253N59.7Low80.1Confident77 Ų7762.2 Ų62.241%0.41230%0.3SS..  trans-87.4142.9171-71.83.6000108.8E255 D256N253-E255 PolarHBondContact O-N 2.88Å; N253-D256 PolarHBondContact O-N 3.27Å; N253-D256 VanDerWaalsContact O-N 3.1Å
254E58.1Low80.1Confident172 Ų17262.2 Ų62.280%0.80430%0.3SS*.G310 helixtrans-60.7-26.4176.3-66.4-171.216700112.8D256 N257E254-D256 PolarHBondContact O-N 3.2Å; E254-N257 VanDerWaalsContact O-CB 3.31Å; E254-N257 WeakPolarHBondContact O-CB 3.37Å; E254-N257 PolarHBondContact O-N 3.36Å; E254-N257 VanDerWaalsContact O-N 3.14Å; E254-N257 PolarHBondContact O-ND2 3.12Å
255E59.4Low80Confident168 Ų16859.4 Ų59.479%0.78529%0.288SS*.G310 helixtrans-61.3-23.6175.7-65.817817100113.2N253 N257N253-E255 PolarHBondContact O-N 2.88Å; E255-N257 VanDerWaalsContact C-N 3.32Å; E255-N257 PolarHBondContact O-N 3.46Å
256D73.1Confident80.1Confident26 Ų2658.8 Ų58.814%0.13929%0.285CS..G310 helixtrans-81.1-10178.8-67.3-25.7000113R191 N253 E254 H258 Q259 F260R191-D256 IonicContact CZ-OD2 2.79Å; R191-D256 IonicContact NE-OD2 3.99Å; R191-D256 PolarHBondContact NE-OD2 3.22Å; R191-D256 IonicContact NH2-OD2 3.84Å; R191-D256 PolarHBondContact NH2-OD2 2.95Å; N253-D256 PolarHBondContact O-N 3.27Å; N253-D256 VanDerWaalsContact O-N 3.1Å; E254-D256 PolarHBondContact O-N 3.2Å; D256-H258 VanDerWaalsContact C-N 3.31Å; D256-H258 PolarHBondContact O-N 2.76Å; D256-Q259 PolarHBondContact O-N 3.41Å; D256-Q259 VanDerWaalsContact O-N 3.07Å; D256-F260 HydrophobicContact CB-CD2 3.8Å; D256-F260 HydrophobicContact CB-CE2 3.44Å; D256-F260 VanDerWaalsContact CB-CE2 3.44Å; D256-F260 HydrophobicContact CB-CZ 4Å; D256-F260 WeakPolarHBondContact O-CD2 3.29Å; D256-F260 PolarHBondContact O-N 2.82Å
257N82.1Confident80.4Confident55 Ų5558.8 Ų58.829%0.29429%0.285SS..Hα-helixtrans-59.1-39.6-174.3-79.4-26.2000112.8E254 E255 F260 R261E254-N257 VanDerWaalsContact O-CB 3.31Å; E254-N257 WeakPolarHBondContact O-CB 3.37Å; E254-N257 PolarHBondContact O-N 3.36Å; E254-N257 VanDerWaalsContact O-N 3.14Å; E254-N257 PolarHBondContact O-ND2 3.12Å; E255-N257 VanDerWaalsContact C-N 3.32Å; E255-N257 PolarHBondContact O-N 3.46Å; N257-F260 PolarHBondContact O-N 3.17Å; N257-R261 WeakPolarHBondContact O-CB 3.47Å; N257-R261 VanDerWaalsContact O-CG 3.27Å; N257-R261 WeakPolarHBondContact O-CG 3.44Å; N257-R261 PolarHBondContact O-N 2.93Å
258H88.5Confident80.6Confident99 Ų9959.4 Ų59.446%0.45829%0.286SS..Hα-helixtrans-63.6-45175.9175.567.9000111.5Y216 D256 F260 R261 L262Y216-H258 AromaticContact CE1-CE1 3.7Å; Y216-H258 AromaticContact CE1-ND1 3.44Å; Y216-H258 WeakPolarHBondContact CE1-ND1 3.43Å; Y216-H258 AromaticContact CZ-ND1 3.55Å; Y216-H258 PolarHBondContact OH-ND1 3.41Å; D256-H258 VanDerWaalsContact C-N 3.31Å; D256-H258 PolarHBondContact O-N 2.76Å; H258-F260 PolarHBondContact O-N 2.94Å; H258-R261 PolarHBondContact O-N 3.14Å; H258-L262 PolarHBondContact O-N 2.7Å
259Q89.9Confident81Confident47 Ų4756.4 Ų56.422%0.2227%0.27CS..Hα-helixtrans-64.9-40.1179.3-64.3-172.86.500111.6D256 L262 L263D256-Q259 PolarHBondContact O-N 3.41Å; D256-Q259 VanDerWaalsContact O-N 3.07Å; Q259-L262 PolarHBondContact O-N 2.78Å; Q259-L263 WeakPolarHBondContact O-CB 3.2Å; Q259-L263 PolarHBondContact O-N 2.78Å
260F91.9Very high82.3Confident7 Ų754.9 Ų54.93%0.03126%0.26CS..Hα-helixtrans-69.1-33.3176.5-68.1-38.5000113.1V197 T247 D256 N257 H258 L263 A264 L295 P296 C299V197-F260 HydrophobicContact CG1-CE1 4.37Å; T247-F260 HydrophobicContact CG2-CE1 3.99Å; D256-F260 HydrophobicContact CB-CD2 3.8Å; D256-F260 HydrophobicContact CB-CE2 3.44Å; D256-F260 VanDerWaalsContact CB-CE2 3.44Å; D256-F260 HydrophobicContact CB-CZ 4Å; D256-F260 WeakPolarHBondContact O-CD2 3.29Å; D256-F260 PolarHBondContact O-N 2.82Å; N257-F260 PolarHBondContact O-N 3.17Å; H258-F260 PolarHBondContact O-N 2.94Å; F260-L263 PolarHBondContact O-N 3.07Å; F260-A264 VanDerWaalsContact O-CB 3.29Å; F260-A264 WeakPolarHBondContact O-CB 3.43Å; F260-A264 PolarHBondContact O-N 2.82Å; F260-L295 HydrophobicContact CB-CD2 4.33Å; F260-L295 HydrophobicContact CD1-CD2 3.66Å; F260-L295 HydrophobicContact CE1-CD2 4.26Å; F260-L295 HydrophobicContact CG-CD2 4.17Å; F260-P296 HydrophobicContact CD2-CG 3.77Å; F260-P296 HydrophobicContact CE2-CG 4.24Å; F260-C299 HydrophobicContact CB-CB 4.48Å
261R93.6Very high84.2Confident56 Ų5646 Ų4621%0.21122%0.218CC..Hα-helixtrans-67.6-42.1172.1-76170.2171.1-95.3-4.5112.2Y216 N257 H258 L263 A264 A265 S298 C299 D301 V302Y216-R261 HydrophobicContact CD1-CB 3.77Å; Y216-R261 HydrophobicContact CD2-CB 4.45Å; Y216-R261 HydrophobicContact CE1-CB 3.59Å; Y216-R261 HydrophobicContact CE2-CB 4.31Å; Y216-R261 HydrophobicContact CG-CB 4.21Å; N257-R261 WeakPolarHBondContact O-CB 3.47Å; N257-R261 VanDerWaalsContact O-CG 3.27Å; N257-R261 WeakPolarHBondContact O-CG 3.44Å; N257-R261 PolarHBondContact O-N 2.93Å; H258-R261 PolarHBondContact O-N 3.14Å; R261-L263 VanDerWaalsContact C-N 3.35Å; R261-A264 PolarHBondContact O-N 3.38Å; R261-A265 PolarHBondContact O-N 3.28Å; R261-S298 PolarHBondContact NH2-O 3.22Å; R261-C299 HydrophobicContact CG-CB 3.94Å; R261-D301 IonicContact CZ-OD1 2.78Å; R261-D301 VanDerWaalsContact CZ-OD1 3.3Å; R261-D301 IonicContact CZ-OD2 3.86Å; R261-D301 VanDerWaalsContact NH1-CG 3.27Å; R261-D301 IonicContact NH1-OD1 3.16Å; R261-D301 PolarHBondContact NH1-OD1 3.32Å; R261-D301 VanDerWaalsContact NH1-OD1 3.16Å; R261-D301 IonicContact NH1-OD2 3.07Å; R261-D301 PolarHBondContact NH1-OD2 2.98Å; R261-D301 VanDerWaalsContact NH2-CG 3.31Å; R261-D301 IonicContact NH2-OD1 2.72Å; R261-D301 PolarHBondContact NH2-OD1 2.77Å; R261-D301 IonicContact NH2-OD2 2.73Å; R261-D301 PolarHBondContact NH2-OD2 3.5Å; R261-V302 HydrophobicContact CB-CG2 3.89Å; R261-V302 HydrophobicContact CG-CG2 3.86Å
262L93.8Very high86Confident41 Ų4145.2 Ų45.222%0.21521%0.209CC..Hα-helixtrans-60.8-46.3173.2-173.771.3000110.9W212 H258 Q259 A264 A265 I266W212-L262 HydrophobicContact CH2-CD1 3.42Å; W212-L262 VanDerWaalsContact CH2-CD1 3.42Å; W212-L262 HydrophobicContact CH2-CG 4.24Å; W212-L262 HydrophobicContact CZ2-CD1 3.47Å; W212-L262 VanDerWaalsContact CZ2-CD1 3.47Å; W212-L262 HydrophobicContact CZ2-CG 4.24Å; W212-L262 HydrophobicContact CZ3-CD1 3.99Å; H258-L262 PolarHBondContact O-N 2.7Å; Q259-L262 PolarHBondContact O-N 2.78Å; L262-A264 PolarHBondContact O-N 2.9Å; L262-A265 WeakPolarHBondContact O-CB 3.47Å; L262-A265 PolarHBondContact O-N 3.46Å; L262-I266 WeakPolarHBondContact O-CG1 3.37Å; L262-I266 PolarHBondContact O-N 3.25Å
263L95.4Very high87.5Confident0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-61-44.9175.7179.356.4000111.3L204 L243 Q259 F260 R261 A265 I266 L267 L291 L295L204-L263 HydrophobicContact CD1-CD1 4.34Å; L243-L263 HydrophobicContact CD1-CD1 4.05Å; L243-L263 HydrophobicContact CD2-CD2 4.39Å; Q259-L263 WeakPolarHBondContact O-CB 3.2Å; Q259-L263 PolarHBondContact O-N 2.78Å; F260-L263 PolarHBondContact O-N 3.07Å; R261-L263 VanDerWaalsContact C-N 3.35Å; L263-A265 VanDerWaalsContact C-N 3.26Å; L263-A265 PolarHBondContact O-N 2.76Å; L263-I266 PolarHBondContact O-N 3.04Å; L263-I266 VanDerWaalsContact O-N 3.11Å; L263-L267 HydrophobicContact CD1-CD1 4.2Å; L263-L267 HydrophobicContact CD1-CD2 4.39Å; L263-L267 HydrophobicContact CD1-CG 4.1Å; L263-L267 HydrophobicContact CG-CD1 3.99Å; L263-L267 HydrophobicContact CG-CG 4.34Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.24Å; L263-L291 HydrophobicContact CD1-CD2 4.21Å; L263-L291 HydrophobicContact CD2-CD1 4.47Å; L263-L291 HydrophobicContact CD2-CD2 4.21Å; L263-L291 HydrophobicContact CD2-CG 4.45Å; L263-L295 HydrophobicContact CD2-CD2 4.02Å
264A95.5Very high89.1Confident0 Ų044.2 Ų44.20%021%0.206CC..Hα-helixtrans-57.7-38.4175.600000112.2F260 R261 L262 L267 R268 L295 V302F260-A264 VanDerWaalsContact O-CB 3.29Å; F260-A264 WeakPolarHBondContact O-CB 3.43Å; F260-A264 PolarHBondContact O-N 2.82Å; R261-A264 PolarHBondContact O-N 3.38Å; L262-A264 PolarHBondContact O-N 2.9Å; A264-L267 PolarHBondContact O-N 2.75Å; A264-R268 WeakPolarHBondContact O-CB 3.46Å; A264-R268 PolarHBondContact O-N 3.29Å; A264-L295 HydrophobicContact CB-CD1 3.85Å; A264-V302 HydrophobicContact CB-CB 4.21Å; A264-V302 HydrophobicContact CB-CG1 4.35Å
265A95.6Very high90.7Very high1 Ų136.6 Ų36.61%0.00817%0.171CC..Hα-helixtrans-66.2-40.3175.100000112.9W212 Y216 R261 L262 L263 R268 H269 V302W212-A265 HydrophobicContact CH2-CB 3.7Å; W212-A265 HydrophobicContact CZ3-CB 3.59Å; Y216-A265 WeakPolarHBondContact O-CB 3.43Å; R261-A265 PolarHBondContact O-N 3.28Å; L262-A265 WeakPolarHBondContact O-CB 3.47Å; L262-A265 PolarHBondContact O-N 3.46Å; L263-A265 VanDerWaalsContact C-N 3.26Å; L263-A265 PolarHBondContact O-N 2.76Å; A265-R268 WeakPolarHBondContact O-CB 3.44Å; A265-R268 PolarHBondContact O-N 3.4Å; A265-H269 PolarHBondContact O-N 2.95Å; A265-V302 HydrophobicContact CB-CG1 3.65Å
266I96.8Very high92.2Very high0 Ų034.5 Ų34.50%016%0.161CC..Hα-helixtrans-63.5-43.6173.7-63.5168.8000110.2L204 E205 L208 W212 L262 L263 H269 L270L204-I266 HydrophobicContact CB-CG2 4.04Å; E205-I266 HydrophobicContact CB-CD1 4.05Å; L208-I266 HydrophobicContact CD1-CG2 3.94Å; W212-I266 HydrophobicContact CH2-CG1 3.81Å; W212-I266 HydrophobicContact CZ2-CD1 4.25Å; W212-I266 HydrophobicContact CZ2-CG1 3.74Å; L262-I266 WeakPolarHBondContact O-CG1 3.37Å; L262-I266 PolarHBondContact O-N 3.25Å; L263-I266 PolarHBondContact O-N 3.04Å; L263-I266 VanDerWaalsContact O-N 3.11Å; I266-H269 WeakPolarHBondContact O-CB 3.45Å; I266-H269 PolarHBondContact O-N 3.3Å; I266-L270 PolarHBondContact O-N 3.31Å
267L97.4Very high93.1Very high0 Ų036.5 Ų36.50%017%0.174CC..Hα-helixtrans-66.1-38.4178.5-64.2174.3000111.9L240 L263 A264 L270 L271 T288 L291 L292 L295L240-L267 HydrophobicContact CD2-CD2 3.37Å; L263-L267 HydrophobicContact CD1-CD1 4.2Å; L263-L267 HydrophobicContact CD1-CD2 4.39Å; L263-L267 HydrophobicContact CD1-CG 4.1Å; L263-L267 HydrophobicContact CG-CD1 3.99Å; L263-L267 HydrophobicContact CG-CG 4.34Å; L263-L267 VanDerWaalsContact O-CG 3.24Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.24Å; A264-L267 PolarHBondContact O-N 2.75Å; L267-L270 PolarHBondContact O-N 2.98Å; L267-L271 WeakPolarHBondContact O-CG 3.17Å; L267-L271 PolarHBondContact O-N 3.47Å; L267-T288 HydrophobicContact CB-CG2 3.76Å; L267-T288 HydrophobicContact CD2-CG2 3.87Å; L267-T288 HydrophobicContact CG-CG2 4.32Å; L267-T288 WeakPolarHBondContact O-CG2 3.41Å; L267-L291 HydrophobicContact CD1-CB 4.2Å; L267-L291 HydrophobicContact CD1-CD2 3.88Å; L267-L291 HydrophobicContact CD1-CG 3.78Å; L267-L291 HydrophobicContact CD2-CD2 3.85Å; L267-L291 HydrophobicContact CG-CD2 4.44Å; L267-L292 HydrophobicContact CB-CD1 4.49Å; L267-L292 HydrophobicContact CB-CD2 3.86Å; L267-L292 HydrophobicContact CB-CG 4.09Å; L267-L292 HydrophobicContact CD1-CD2 3.72Å; L267-L292 HydrophobicContact CD1-CG 3.86Å; L267-L292 HydrophobicContact CG-CD2 4.45Å; L267-L295 HydrophobicContact CD1-CD1 4.15Å
268R95.6Very high93.6Very high17 Ų1740.6 Ų40.66%0.06419%0.192CC..Hα-helixtrans-57.9-49.3170.2179.8-175.6173.1-100.3-3.6110.9A264 A265 L270 L271 M272 V302 L303 V306 A322A264-R268 WeakPolarHBondContact O-CB 3.46Å; A264-R268 PolarHBondContact O-N 3.29Å; A265-R268 WeakPolarHBondContact O-CB 3.44Å; A265-R268 PolarHBondContact O-N 3.4Å; R268-L270 VanDerWaalsContact C-N 3.27Å; R268-L270 PolarHBondContact O-N 2.69Å; R268-L271 PolarHBondContact O-N 3.33Å; R268-M272 WeakPolarHBondContact O-CG 3.47Å; R268-M272 PolarHBondContact O-N 3.35Å; R268-V302 WeakPolarHBondContact CD-O 3.33Å; R268-L303 HydrophobicContact CB-CD2 3.84Å; R268-L303 HydrophobicContact CG-CD2 4.35Å; R268-L303 PolarHBondContact NE-O 2.84Å; R268-V306 VanDerWaalsContact CZ-CG2 3.42Å; R268-A322 HydrophobicContact CG-CB 4.1Å
269H94.7Very high93.7Very high15 Ų1543.5 Ų43.57%0.06921%0.205CC..Hα-helixtrans-57.8-43.5177-177.983.4000111A218 A219 A265 I266 L271 M272 L273A218-H269 HydrophobicContact CB-CB 3.85Å; A219-H269 PolarHBondContact O-ND1 3.21Å; A265-H269 PolarHBondContact O-N 2.95Å; I266-H269 WeakPolarHBondContact O-CB 3.45Å; I266-H269 PolarHBondContact O-N 3.3Å; H269-L271 PolarHBondContact O-N 3.2Å; H269-M272 WeakPolarHBondContact O-CB 3.35Å; H269-M272 PolarHBondContact O-N 3.24Å; H269-L273 PolarHBondContact O-N 3.09Å
270L95.9Very high93.9Very high0 Ų045.6 Ų45.60%021%0.214CC..Hα-helixtrans-63.2-35.8178.3-172.555.4000113.6L208 L240 I266 L267 R268 M272 L273 V284 T288L208-L270 HydrophobicContact CD1-CB 4.2Å; L208-L270 HydrophobicContact CD1-CD1 4.05Å; L208-L270 HydrophobicContact CD1-CD2 4.35Å; L208-L270 HydrophobicContact CD1-CG 4.45Å; L208-L270 HydrophobicContact CD2-CD1 3.75Å; L240-L270 HydrophobicContact CD1-CD2 3.78Å; L240-L270 HydrophobicContact CD2-CD2 4.34Å; L240-L270 HydrophobicContact CG-CD2 4.47Å; I266-L270 PolarHBondContact O-N 3.31Å; L267-L270 PolarHBondContact O-N 2.98Å; R268-L270 VanDerWaalsContact C-N 3.27Å; R268-L270 PolarHBondContact O-N 2.69Å; L270-M272 PolarHBondContact O-N 3.34Å; L270-L273 HydrophobicContact CD1-CD1 4.1Å; L270-L273 PolarHBondContact O-N 3.08Å; L270-V284 HydrophobicContact CD1-CG2 4Å; L270-V284 HydrophobicContact CD2-CG2 3.85Å; L270-V284 HydrophobicContact CG-CG2 4.1Å; L270-T288 VanDerWaalsContact CD2-OG1 3.28Å; L270-T288 WeakPolarHBondContact CD2-OG1 3.17Å
271L95.6Very high94.1Very high3 Ų346.1 Ų46.12%0.01622%0.218CC..Hα-helixtrans-63.1-24.7173-69.9174.2000112.9L267 R268 H269 H285 T288 L292 V325 L326L267-L271 WeakPolarHBondContact O-CG 3.17Å; L267-L271 PolarHBondContact O-N 3.47Å; R268-L271 PolarHBondContact O-N 3.33Å; H269-L271 PolarHBondContact O-N 3.2Å; L271-H285 HydrophobicContact CD2-CB 4.39Å; L271-H285 PolarHBondContact O-CE1 3.45Å; L271-H285 PolarHBondContact O-NE2 3.36Å; L271-T288 HydrophobicContact CD2-CG2 3.82Å; L271-T288 HydrophobicContact CG-CG2 3.85Å; L271-L292 HydrophobicContact CD1-CD1 3.98Å; L271-V325 HydrophobicContact CB-CG1 4.33Å; L271-L326 HydrophobicContact CD1-CD2 3.97Å; L271-L326 HydrophobicContact CD1-CG 4.18Å; L271-L326 HydrophobicContact CD2-CD2 4.22Å
272M92.6Very high94.1Very high36 Ų3645.3 Ų45.318%0.17722%0.216CC..THydrogen-bonded Turntrans-87.9-10.5-180-56.8-62.494.900112.7P221 R268 H269 L270 E321 A322 V325P221-M272 HydrophobicContact CG-CB 3.97Å; R268-M272 WeakPolarHBondContact O-CG 3.47Å; R268-M272 PolarHBondContact O-N 3.35Å; H269-M272 WeakPolarHBondContact O-CB 3.35Å; H269-M272 PolarHBondContact O-N 3.24Å; L270-M272 PolarHBondContact O-N 3.34Å; M272-E321 HydrophobicContact CE-CG 4.49Å; M272-E321 HydrophobicContact SD-CB 4.27Å; M272-E321 HydrophobicContact SD-CG 3.63Å; M272-A322 HydrophobicContact CE-CB 4.2Å; M272-V325 HydrophobicContact CE-CB 3.91Å; M272-V325 HydrophobicContact CE-CG1 4.42Å; M272-V325 HydrophobicContact CE-CG2 3.49Å; M272-V325 VanDerWaalsContact CE-CG2 3.49Å
273L93.1Very high94.2Very high28 Ų2846.6 Ų46.615%0.14722%0.221CC..  trans-84.9150.7179.8-66.1176.3000111.2L208 P221 H269 L270L208-L273 HydrophobicContact CD2-CD1 4.04Å; P221-L273 HydrophobicContact CB-CD2 3.82Å; P221-L273 HydrophobicContact CG-CD2 3.62Å; P221-L273 HydrophobicContact CG-CG 4.35Å; H269-L273 PolarHBondContact O-N 3.09Å; L270-L273 HydrophobicContact CD1-CD1 4.1Å; L270-L273 PolarHBondContact O-N 3.08Å
274K92.1Very high94.3Very high158 Ų15846.7 Ų46.769%0.68722%0.222SC*.  trans-112.4144.6168.6-65.6-177.3-179.4178.90109.1P227 L228P227-K274 CarbonylContact C-O 3.5Å; P227-K274 VanDerWaalsContact CA-O 3.29Å; P227-K274 WeakPolarHBondContact CA-O 3.38Å; L228-K274 PolarHBondContact N-O 3.23Å
275T92.2Very high94.4Very high11 Ų1147.2 Ų47.27%0.06722%0.224CC..BIsolated β-bridgetrans-100.9-179.7172.772.10000109.9L228 N233 T277 K280 T281 V284L228-T275 HydrophobicContact CB-CG2 4.38Å; N233-T275 HydrophobicContact CB-CG2 4.38Å; T275-T277 PolarHBondContact O-N 3.45Å; T275-T277 PolarHBondContact OG1-O 2.85Å; T275-K280 VanDerWaalsContact OG1-C 3.3Å; T275-K280 VanDerWaalsContact OG1-CB 3.27Å; T275-K280 WeakPolarHBondContact OG1-CB 3.29Å; T275-T281 PolarHBondContact N-OG1 3.31Å; T275-T281 PolarHBondContact OG1-N 3.23Å; T275-T281 PolarHBondContact OG1-OG1 2.84Å; T275-V284 HydrophobicContact CG2-CG1 4.02Å
276E89.9Confident94.5Very high125 Ų12548.1 Ų48.158%0.58423%0.231SC*.SBendtrans-57.2-30-178.7-67177-154.200113.8T230T230-E276 WeakPolarHBondContact CB-OE1 3.37Å; T230-E276 PolarHBondContact N-OE1 2.93Å; T230-E276 VanDerWaalsContact N-OE1 3.13Å; T230-E276 PolarHBondContact OG1-OE1 3.17Å; T230-E276 PolarHBondContact OG1-OE2 2.98Å; T230-E276 VanDerWaalsContact OG1-OE2 3.08Å
277T92.8Very high94.5Very high67 Ų6750.2 Ų50.241%0.41124%0.24SC..SBendtrans-130.6155.2178.573.50000112T275 E279 K280 T281T275-T277 PolarHBondContact O-N 3.45Å; T275-T277 PolarHBondContact OG1-O 2.85Å; T277-E279 VanDerWaalsContact C-N 3.32Å; T277-E279 PolarHBondContact O-N 3.22Å; T277-K280 PolarHBondContact O-N 2.94Å; T277-K280 WeakPolarHBondContact OG1-CB 3.42Å; T277-K280 VanDerWaalsContact OG1-CG 3.29Å; T277-K280 WeakPolarHBondContact OG1-CG 3.45Å; T277-K280 PolarHBondContact OG1-N 3.26Å; T277-K280 VanDerWaalsContact OG1-N 3.14Å; T277-T281 WeakPolarHBondContact O-CB 3.29Å; T277-T281 PolarHBondContact O-N 3.43Å; T277-T281 PolarHBondContact O-OG1 3.43Å
278E91.6Very high94.6Very high142 Ų14250.2 Ų50.266%0.66424%0.24SC*.Hα-helixtrans-64-39.4175.8-169.9173.5-178.300111.4K280 T281 E282E278-K280 PolarHBondContact O-N 3.41Å; E278-T281 WeakPolarHBondContact O-CB 3.3Å; E278-T281 PolarHBondContact O-N 3.19Å; E278-E282 PolarHBondContact O-N 3.06Å
279E92.4Very high94.7Very high159 Ų15949.5 Ų49.574%0.74324%0.238SC*.Hα-helixtrans-60.5-43.3176.6-64.5-176.4171.600112.3T277 T281 E282 E283T277-E279 VanDerWaalsContact C-N 3.32Å; T277-E279 PolarHBondContact O-N 3.22Å; E279-T281 VanDerWaalsContact C-N 3.32Å; E279-E282 PolarHBondContact O-N 2.86Å; E279-E283 PolarHBondContact O-N 3.42Å
280K94.4Very high94.7Very high92 Ų9250.8 Ų50.840%0.425%0.245SC..Hα-helixtrans-70.6-31.4177.6-72.8-68.7172-167.60112.4T275 T277 E278 E283 V284T275-K280 VanDerWaalsContact OG1-C 3.3Å; T275-K280 VanDerWaalsContact OG1-CB 3.27Å; T275-K280 WeakPolarHBondContact OG1-CB 3.29Å; T277-K280 PolarHBondContact O-N 2.94Å; T277-K280 WeakPolarHBondContact OG1-CB 3.42Å; T277-K280 VanDerWaalsContact OG1-CG 3.29Å; T277-K280 WeakPolarHBondContact OG1-CG 3.45Å; T277-K280 PolarHBondContact OG1-N 3.26Å; T277-K280 VanDerWaalsContact OG1-N 3.14Å; E278-K280 PolarHBondContact O-N 3.41Å; K280-E283 WeakPolarHBondContact CD-OE2 3.36Å; K280-E283 IonicContact NZ-OE2 3.89Å; K280-E283 PolarHBondContact NZ-OE2 3.41Å; K280-E283 PolarHBondContact O-N 3.02Å; K280-V284 WeakPolarHBondContact O-CG1 3.36Å; K280-V284 PolarHBondContact O-N 3.35Å; K280-V284 VanDerWaalsContact O-N 3.08Å
281T94.9Very high94.7Very high18 Ų1850.8 Ų50.811%0.1125%0.245CC..Hα-helixtrans-67.1-42.4172.9-54.10000110.1T275 T277 E278 E279 V284 H285T275-T281 PolarHBondContact N-OG1 3.31Å; T275-T281 PolarHBondContact OG1-N 3.23Å; T275-T281 PolarHBondContact OG1-OG1 2.84Å; T277-T281 WeakPolarHBondContact O-CB 3.29Å; T277-T281 PolarHBondContact O-N 3.43Å; T277-T281 PolarHBondContact O-OG1 3.43Å; E278-T281 WeakPolarHBondContact O-CB 3.3Å; E278-T281 PolarHBondContact O-N 3.19Å; E279-T281 VanDerWaalsContact C-N 3.32Å; T281-V284 VanDerWaalsContact O-CG1 3.28Å; T281-V284 WeakPolarHBondContact O-CG1 3.49Å; T281-H285 WeakPolarHBondContact O-CB 3.43Å; T281-H285 PolarHBondContact O-CD2 3.34Å; T281-H285 PolarHBondContact O-N 3.1Å
282E94.6Very high94.8Very high38 Ų3850.7 Ų50.718%0.17824%0.244CC..Hα-helixtrans-64-40.4174.6-162-163.6135.300112E278 E279 H285 S286 F329 R333 K336E278-E282 PolarHBondContact O-N 3.06Å; E279-E282 PolarHBondContact O-N 2.86Å; E282-H285 PolarHBondContact O-N 3.02Å; E282-S286 WeakPolarHBondContact O-CB 3.28Å; E282-S286 PolarHBondContact O-N 3.44Å; E282-F329 HydrophobicContact CG-CD2 4.24Å; E282-F329 HydrophobicContact CG-CE2 3.69Å; E282-R333 IonicContact OE1-CZ 2.74Å; E282-R333 VanDerWaalsContact OE1-CZ 3.23Å; E282-R333 IonicContact OE1-NE 2.73Å; E282-R333 PolarHBondContact OE1-NE 3.43Å; E282-R333 IonicContact OE1-NH2 3.3Å; E282-R333 PolarHBondContact OE1-NH2 3.44Å; E282-K336 IonicContact OE1-NZ 2.75Å
283E95.6Very high94.8Very high69 Ų6951.9 Ų51.932%0.32225%0.252SS..Hα-helixtrans-61.3-49.8177.5-169.3-180179.600111.6M237 E279 K280 S286 H287M237-E283 HydrophobicContact SD-CB 4.34Å; M237-E283 HydrophobicContact SD-CG 3.77Å; E279-E283 PolarHBondContact O-N 3.42Å; K280-E283 WeakPolarHBondContact CD-OE2 3.36Å; K280-E283 IonicContact NZ-OE2 3.89Å; K280-E283 PolarHBondContact NZ-OE2 3.41Å; K280-E283 PolarHBondContact O-N 3.02Å; E283-S286 WeakPolarHBondContact O-CB 3.42Å; E283-S286 PolarHBondContact O-N 3.31Å; E283-H287 PolarHBondContact O-CD2 2.98Å; E283-H287 PolarHBondContact O-N 3.02Å
284V96.8Very high94.8Very high2 Ų251.6 Ų51.61%0.01225%0.25CS..Hα-helixtrans-66.4-41.9178.669.90000111.4N233 M237 L240 L270 T275 K280 T281 S286 H287 T288N233-V284 WeakPolarHBondContact OD1-CB 3.47Å; M237-V284 HydrophobicContact CG-CB 4.21Å; M237-V284 HydrophobicContact CG-CG2 4.15Å; L240-V284 HydrophobicContact CD1-CG2 4.06Å; L270-V284 HydrophobicContact CD1-CG2 4Å; L270-V284 HydrophobicContact CD2-CG2 3.85Å; L270-V284 HydrophobicContact CG-CG2 4.1Å; T275-V284 HydrophobicContact CG2-CG1 4.02Å; K280-V284 WeakPolarHBondContact O-CG1 3.36Å; K280-V284 PolarHBondContact O-N 3.35Å; K280-V284 VanDerWaalsContact O-N 3.08Å; T281-V284 VanDerWaalsContact O-CG1 3.28Å; T281-V284 WeakPolarHBondContact O-CG1 3.49Å; V284-S286 VanDerWaalsContact C-N 3.27Å; V284-S286 PolarHBondContact O-N 3.33Å; V284-H287 PolarHBondContact O-N 2.95Å; V284-H287 VanDerWaalsContact O-N 3.14Å; V284-T288 PolarHBondContact O-N 3.38Å; V284-T288 PolarHBondContact O-OG1 3.06Å
285H97.5Very high94.8Very high10 Ų1044.4 Ų44.45%0.04622%0.219CC..Hα-helixtrans-59.4-38.4174.1-72.1-171.6000111.8L271 T281 E282 H287 T288 I289 F329L271-H285 HydrophobicContact CD2-CB 4.39Å; L271-H285 PolarHBondContact O-CE1 3.45Å; L271-H285 PolarHBondContact O-NE2 3.36Å; T281-H285 WeakPolarHBondContact O-CB 3.43Å; T281-H285 PolarHBondContact O-CD2 3.34Å; T281-H285 PolarHBondContact O-N 3.1Å; E282-H285 PolarHBondContact O-N 3.02Å; H285-H287 PolarHBondContact O-N 3.3Å; H285-T288 WeakPolarHBondContact O-CB 3.49Å; H285-T288 PolarHBondContact O-N 3.31Å; H285-I289 WeakPolarHBondContact O-CB 3.27Å; H285-I289 WeakPolarHBondContact O-CD1 3.15Å; H285-I289 WeakPolarHBondContact O-CG1 3.46Å; H285-I289 PolarHBondContact O-N 3.48Å; H285-F329 HydrophobicContact CB-CD2 3.88Å; H285-F329 HydrophobicContact CB-CE2 3.79Å
286S97.3Very high94.6Very high21 Ų2144.6 Ų44.615%0.14722%0.221CC..Hα-helixtrans-60.8-43.3176.1-1580000111.9E282 E283 V284 N290 R333E282-S286 WeakPolarHBondContact O-CB 3.28Å; E282-S286 PolarHBondContact O-N 3.44Å; E283-S286 WeakPolarHBondContact O-CB 3.42Å; E283-S286 PolarHBondContact O-N 3.31Å; V284-S286 VanDerWaalsContact C-N 3.27Å; V284-S286 PolarHBondContact O-N 3.33Å; S286-N290 VanDerWaalsContact O-CG 3.23Å; S286-N290 PolarHBondContact O-N 3.41Å; S286-N290 VanDerWaalsContact O-N 3.12Å; S286-N290 PolarHBondContact O-ND2 3.04Å; S286-R333 PolarHBondContact OG-NH1 3.23Å; S286-R333 PolarHBondContact OG-NH2 3.07Å
287H97.9Very high94.4Very high44 Ų4439.6 Ų39.620%0.20420%0.201CC..Hα-helixtrans-68.3-39.2175.7-74.9-56.6000112.4L240 K241 E283 V284 H285 N290 L291L240-H287 HydrophobicContact CB-CB 4.07Å; L240-H287 HydrophobicContact CD1-CB 3.74Å; K241-H287 VanDerWaalsContact CE-NE2 3.32Å; K241-H287 WeakPolarHBondContact CE-NE2 3.45Å; E283-H287 PolarHBondContact O-CD2 2.98Å; E283-H287 PolarHBondContact O-N 3.02Å; V284-H287 PolarHBondContact O-N 2.95Å; V284-H287 VanDerWaalsContact O-N 3.14Å; H285-H287 PolarHBondContact O-N 3.3Å; H287-N290 PolarHBondContact O-N 3.02Å; H287-L291 PolarHBondContact O-N 3.39Å; H287-L291 VanDerWaalsContact O-N 3.08Å
288T98.3Very high94.1Very high0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-59.9-46.5175.1-57.80000111.7L267 L270 L271 V284 H285 L291 L292L267-T288 HydrophobicContact CB-CG2 3.76Å; L267-T288 HydrophobicContact CD2-CG2 3.87Å; L267-T288 HydrophobicContact CG-CG2 4.32Å; L267-T288 WeakPolarHBondContact O-CG2 3.41Å; L270-T288 VanDerWaalsContact CD2-OG1 3.28Å; L270-T288 WeakPolarHBondContact CD2-OG1 3.17Å; L271-T288 HydrophobicContact CD2-CG2 3.82Å; L271-T288 HydrophobicContact CG-CG2 3.85Å; V284-T288 PolarHBondContact O-N 3.38Å; V284-T288 PolarHBondContact O-OG1 3.06Å; H285-T288 WeakPolarHBondContact O-CB 3.49Å; H285-T288 PolarHBondContact O-N 3.31Å; T288-L291 PolarHBondContact O-N 2.86Å; T288-L292 HydrophobicContact CG2-CD1 4.24Å; T288-L292 WeakPolarHBondContact O-CG 3.46Å; T288-L292 PolarHBondContact O-N 3.27Å
289I97.8Very high94Very high2 Ų232.6 Ų32.61%0.0117%0.17CC..Hα-helixtrans-63-44.6178-70.3164.1000111.1H285 L291 L292 N293 L326 F329 P346 V347 L350H285-I289 WeakPolarHBondContact O-CB 3.27Å; H285-I289 WeakPolarHBondContact O-CD1 3.15Å; H285-I289 WeakPolarHBondContact O-CG1 3.46Å; H285-I289 PolarHBondContact O-N 3.48Å; I289-L291 VanDerWaalsContact C-N 3.26Å; I289-L291 PolarHBondContact O-N 3.27Å; I289-L292 PolarHBondContact O-N 2.91Å; I289-N293 WeakPolarHBondContact O-CB 3.45Å; I289-N293 PolarHBondContact O-N 3.33Å; I289-L326 HydrophobicContact CD1-CD2 3.78Å; I289-L326 HydrophobicContact CG1-CD2 3.5Å; I289-F329 HydrophobicContact CD1-CB 4.47Å; I289-F329 HydrophobicContact CD1-CD1 3.37Å; I289-F329 HydrophobicContact CD1-CD2 4.13Å; I289-F329 HydrophobicContact CD1-CE1 3.41Å; I289-F329 VanDerWaalsContact CD1-CE1 3.41Å; I289-F329 HydrophobicContact CD1-CE2 4.15Å; I289-F329 HydrophobicContact CD1-CG 3.74Å; I289-F329 HydrophobicContact CD1-CZ 3.79Å; I289-P346 HydrophobicContact CG2-CB 4.19Å; I289-V347 HydrophobicContact CD1-CB 4.26Å; I289-V347 HydrophobicContact CD1-CG2 4.18Å; I289-V347 HydrophobicContact CG2-CB 3.95Å; I289-L350 HydrophobicContact CG2-CD2 4.15Å
290N96.3Very high93.9Very high41 Ų4125.2 Ų25.222%0.21914%0.136CC..Hα-helixtrans-58.7-40.6177.2-74.5-17.2000111.6F244 S286 H287 P346F244-N290 HydrophobicContact CD2-CB 3.93Å; F244-N290 WeakPolarHBondContact CD2-O 2.93Å; F244-N290 HydrophobicContact CE2-CB 3.89Å; F244-N290 WeakPolarHBondContact CE2-O 3.47Å; S286-N290 VanDerWaalsContact O-CG 3.23Å; S286-N290 PolarHBondContact O-N 3.41Å; S286-N290 VanDerWaalsContact O-N 3.12Å; S286-N290 PolarHBondContact O-ND2 3.04Å; H287-N290 PolarHBondContact O-N 3.02Å; N290-P346 WeakPolarHBondContact OD1-CB 3.39Å; N290-P346 WeakPolarHBondContact OD1-CG 3.31Å
291L96.3Very high93.7Very high0 Ų021.9 Ų21.90%012%0.123CC..Hα-helixtrans-72.1-41.6177.2-177.556.1000112.5L240 L243 T247 L263 L267 H287 T288 I289 N293 N294L240-L291 HydrophobicContact CD2-CD2 3.7Å; L243-L291 HydrophobicContact CB-CD1 3.96Å; L243-L291 HydrophobicContact CB-CD2 3.65Å; L243-L291 HydrophobicContact CD1-CD2 4.04Å; L243-L291 HydrophobicContact CG-CD2 4.47Å; T247-L291 HydrophobicContact CG2-CD1 3.98Å; T247-L291 VanDerWaalsContact OG1-CD1 3.29Å; T247-L291 WeakPolarHBondContact OG1-CD1 3.3Å; L263-L291 HydrophobicContact CD1-CD2 4.21Å; L263-L291 HydrophobicContact CD2-CD1 4.47Å; L263-L291 HydrophobicContact CD2-CD2 4.21Å; L263-L291 HydrophobicContact CD2-CG 4.45Å; L267-L291 HydrophobicContact CD1-CB 4.2Å; L267-L291 HydrophobicContact CD1-CD2 3.88Å; L267-L291 HydrophobicContact CD1-CG 3.78Å; L267-L291 HydrophobicContact CD2-CD2 3.85Å; L267-L291 HydrophobicContact CG-CD2 4.44Å; H287-L291 PolarHBondContact O-N 3.39Å; H287-L291 VanDerWaalsContact O-N 3.08Å; T288-L291 PolarHBondContact O-N 2.86Å; I289-L291 VanDerWaalsContact C-N 3.26Å; I289-L291 PolarHBondContact O-N 3.27Å; L291-N293 PolarHBondContact O-N 3.46Å; L291-N294 WeakPolarHBondContact O-CB 3.46Å; L291-N294 PolarHBondContact O-N 3.46Å
292L96.1Very high93.6Very high1 Ų121.3 Ų21.31%0.00512%0.119CC..Hα-helixtrans-56.2-39.3174.1-77.7171.2000111.6L267 L271 T288 I289 N294 L295 L300 L303 L350L267-L292 HydrophobicContact CB-CD1 4.49Å; L267-L292 HydrophobicContact CB-CD2 3.86Å; L267-L292 HydrophobicContact CB-CG 4.09Å; L267-L292 HydrophobicContact CD1-CD2 3.72Å; L267-L292 HydrophobicContact CD1-CG 3.86Å; L267-L292 HydrophobicContact CG-CD2 4.45Å; L271-L292 HydrophobicContact CD1-CD1 3.98Å; T288-L292 HydrophobicContact CG2-CD1 4.24Å; T288-L292 WeakPolarHBondContact O-CG 3.46Å; T288-L292 PolarHBondContact O-N 3.27Å; I289-L292 PolarHBondContact O-N 2.91Å; L292-N294 PolarHBondContact O-N 2.94Å; L292-L295 HydrophobicContact CD2-CD1 4.1Å; L292-L295 WeakPolarHBondContact O-CB 3.38Å; L292-L295 PolarHBondContact O-N 3.14Å; L292-L295 VanDerWaalsContact O-N 3.07Å; L292-L300 HydrophobicContact CD2-CD2 4.49Å; L292-L303 HydrophobicContact CD2-CD2 4.24Å; L292-L350 HydrophobicContact CB-CD1 3.94Å; L292-L350 HydrophobicContact CB-CD2 3.76Å; L292-L350 HydrophobicContact CD1-CD2 3.94Å
293N93.7Very high93.5Very high61 Ų6119.7 Ų19.733%0.32611%0.112SC..THydrogen-bonded Turntrans-65.3-21.3178.6-159.939.4000113.4I289 L291I289-N293 WeakPolarHBondContact O-CB 3.45Å; I289-N293 PolarHBondContact O-N 3.33Å; L291-N293 PolarHBondContact O-N 3.46Å
294N92.3Very high93.2Very high22 Ų2216.5 Ų16.512%0.11810%0.097CC..THydrogen-bonded Turntrans-83.7-18.8174.8-68.8-7.4000112.7F244 T247 R252 L291 L292F244-N294 WeakPolarHBondContact CD2-ND2 3.17Å; F244-N294 VanDerWaalsContact CE2-ND2 3.28Å; F244-N294 WeakPolarHBondContact CE2-ND2 3.23Å; F244-N294 PolarHBondContact O-ND2 3.49Å; T247-N294 WeakPolarHBondContact OG1-CB 3.49Å; T247-N294 PolarHBondContact OG1-ND2 3.11Å; R252-N294 PolarHBondContact NH2-O 2.97Å; L291-N294 WeakPolarHBondContact O-CB 3.46Å; L291-N294 PolarHBondContact O-N 3.46Å; L292-N294 PolarHBondContact O-N 2.94Å
295L91.5Very high92.8Very high8 Ų820.1 Ų20.14%0.04212%0.116CC..SBendtrans-71.9156.6-177.9-55.4-172.2000111.6R252 F260 L263 A264 L267 L292R252-L295 PolarHBondContact NH1-O 3.21Å; F260-L295 HydrophobicContact CB-CD2 4.33Å; F260-L295 HydrophobicContact CD1-CD2 3.66Å; F260-L295 HydrophobicContact CE1-CD2 4.26Å; F260-L295 HydrophobicContact CG-CD2 4.17Å; L263-L295 HydrophobicContact CD2-CD2 4.02Å; A264-L295 HydrophobicContact CB-CD1 3.85Å; L267-L295 HydrophobicContact CD1-CD1 4.15Å; L292-L295 HydrophobicContact CD2-CD1 4.1Å; L292-L295 WeakPolarHBondContact O-CB 3.38Å; L292-L295 PolarHBondContact O-N 3.14Å; L292-L295 VanDerWaalsContact O-N 3.07Å
296P88.7Confident92Very high14 Ų1420.2 Ų20.29%0.09112%0.117CC..  trans-60.8138.6169.4-2133.1000111.6R252 F260 S298 C299R252-P296 VanDerWaalsContact NH1-CA 3.33Å; F260-P296 HydrophobicContact CD2-CG 3.77Å; F260-P296 HydrophobicContact CE2-CG 4.24Å; P296-S298 PolarHBondContact O-N 3.12Å; P296-S298 VanDerWaalsContact O-N 3.15Å; P296-C299 WeakPolarHBondContact O-CB 3.38Å; P296-C299 PolarHBondContact O-N 3.04Å
297A85Confident90.8Very high20 Ų2022.9 Ų22.917%0.16513%0.134CC..G310 helixtrans-60.1-28.2-179.800000113C299 L300 E353 C357 H358A297-C299 PolarHBondContact O-N 3.32Å; A297-L300 WeakPolarHBondContact O-CB 3.25Å; A297-L300 PolarHBondContact O-N 2.93Å; A297-L300 VanDerWaalsContact O-N 3.15Å; A297-E353 HydrophobicContact CB-CG 3.69Å; A297-E353 WeakPolarHBondContact CB-OE1 3.28Å; A297-C357 HydrophobicContact CB-CB 4.21Å; A297-C357 WeakPolarHBondContact CB-SG 3.43Å; A297-H358 PolarHBondContact O-NE2 3.2Å
298S86.4Confident89.1Confident62 Ų6222.7 Ų22.743%0.43414%0.136SC..G310 helixtrans-65.7-13.517362.20000114.5R261 P296R261-S298 PolarHBondContact NH2-O 3.22Å; P296-S298 PolarHBondContact O-N 3.12Å; P296-S298 VanDerWaalsContact O-N 3.15Å
299C90.7Very high87.2Confident0 Ų026.8 Ų26.80%016%0.155CC..G310 helixtrans-95.4-7.8175.9-59.90000112.7F260 R261 P296 A297 D301 V302F260-C299 HydrophobicContact CB-CB 4.48Å; R261-C299 HydrophobicContact CG-CB 3.94Å; P296-C299 WeakPolarHBondContact O-CB 3.38Å; P296-C299 PolarHBondContact O-N 3.04Å; A297-C299 PolarHBondContact O-N 3.32Å; C299-D301 VanDerWaalsContact C-OD1 3.23Å; C299-D301 WeakPolarHBondContact CA-OD1 3.49Å; C299-D301 PolarHBondContact O-N 3.31Å; C299-V302 PolarHBondContact O-N 3.41Å
300L89.4Confident84.9Confident5 Ų530.5 Ų30.53%0.02619%0.194CC..G310 helixtrans-75.3-10.7179.1-59.5178.4000112.6L292 A297 V302 L303 L350L292-L300 HydrophobicContact CD2-CD2 4.49Å; A297-L300 WeakPolarHBondContact O-CB 3.25Å; A297-L300 PolarHBondContact O-N 2.93Å; A297-L300 VanDerWaalsContact O-N 3.15Å; L300-V302 PolarHBondContact O-N 2.99Å; L300-L303 HydrophobicContact CB-CD1 4.46Å; L300-L303 HydrophobicContact CD2-CD1 4.08Å; L300-L303 VanDerWaalsContact O-CB 3.26Å; L300-L303 WeakPolarHBondContact O-CB 3.43Å; L300-L303 WeakPolarHBondContact O-CG 3.01Å; L300-L303 PolarHBondContact O-N 2.89Å; L300-L350 HydrophobicContact CD1-CD1 3.99Å; L300-L350 HydrophobicContact CD2-CD1 3.92Å
301D90.8Very high82.7Confident22 Ų2232.5 Ų32.512%0.11822%0.224CC..G310 helixtrans-57.7-33.9170.958.5-25.7000111.9R261 C299 L303 I304 D305 H358R261-D301 IonicContact CZ-OD1 2.78Å; R261-D301 VanDerWaalsContact CZ-OD1 3.3Å; R261-D301 IonicContact CZ-OD2 3.86Å; R261-D301 VanDerWaalsContact NH1-CG 3.27Å; R261-D301 IonicContact NH1-OD1 3.16Å; R261-D301 PolarHBondContact NH1-OD1 3.32Å; R261-D301 VanDerWaalsContact NH1-OD1 3.16Å; R261-D301 IonicContact NH1-OD2 3.07Å; R261-D301 PolarHBondContact NH1-OD2 2.98Å; R261-D301 VanDerWaalsContact NH2-CG 3.31Å; R261-D301 IonicContact NH2-OD1 2.72Å; R261-D301 PolarHBondContact NH2-OD1 2.77Å; R261-D301 IonicContact NH2-OD2 2.73Å; R261-D301 PolarHBondContact NH2-OD2 3.5Å; C299-D301 VanDerWaalsContact C-OD1 3.23Å; C299-D301 WeakPolarHBondContact CA-OD1 3.49Å; C299-D301 PolarHBondContact O-N 3.31Å; D301-L303 PolarHBondContact O-N 3.32Å; D301-I304 VanDerWaalsContact O-CG1 3.23Å; D301-I304 WeakPolarHBondContact O-CG1 3.36Å; D301-I304 PolarHBondContact O-N 2.98Å; D301-D305 WeakPolarHBondContact O-CB 3.47Å; D301-D305 PolarHBondContact O-N 3.38Å; D301-H358 PolarHBondContact N-NE2 3.18Å
302V92.8Very high80.8Confident5 Ų534.9 Ų34.93%0.0324%0.238CC..G310 helixtrans-58-22.5174.8179.80000112.8Y216 R261 A264 A265 R268 C299 L300 I304Y216-V302 HydrophobicContact CG-CG2 4.37Å; R261-V302 HydrophobicContact CB-CG2 3.89Å; R261-V302 HydrophobicContact CG-CG2 3.86Å; A264-V302 HydrophobicContact CB-CB 4.21Å; A264-V302 HydrophobicContact CB-CG1 4.35Å; A265-V302 HydrophobicContact CB-CG1 3.65Å; R268-V302 WeakPolarHBondContact CD-O 3.33Å; C299-V302 PolarHBondContact O-N 3.41Å; L300-V302 PolarHBondContact O-N 2.99Å; V302-I304 VanDerWaalsContact C-N 3.27Å; V302-I304 PolarHBondContact O-N 3.38Å
303L92.2Very high78.9Confident5 Ų543.5 Ų43.53%0.02628%0.279CS..G310 helixtrans-68.2-28.3175.5-59.5-176.1000112.6R268 L292 L300 D301R268-L303 HydrophobicContact CB-CD2 3.84Å; R268-L303 HydrophobicContact CG-CD2 4.35Å; R268-L303 PolarHBondContact NE-O 2.84Å; L292-L303 HydrophobicContact CD2-CD2 4.24Å; L300-L303 HydrophobicContact CB-CD1 4.46Å; L300-L303 HydrophobicContact CD2-CD1 4.08Å; L300-L303 VanDerWaalsContact O-CB 3.26Å; L300-L303 WeakPolarHBondContact O-CB 3.43Å; L300-L303 WeakPolarHBondContact O-CG 3.01Å; L300-L303 PolarHBondContact O-N 2.89Å; D301-L303 PolarHBondContact O-N 3.32Å
304I90.3Very high77.5Confident2 Ų246.7 Ų46.71%0.0129%0.292CS..THydrogen-bonded Turntrans-119-23.5-170.761.9167.7000114.6D301 V302 V306 K318 N319 M320 V323 H358 I361D301-I304 VanDerWaalsContact O-CG1 3.23Å; D301-I304 WeakPolarHBondContact O-CG1 3.36Å; D301-I304 PolarHBondContact O-N 2.98Å; V302-I304 VanDerWaalsContact C-N 3.27Å; V302-I304 PolarHBondContact O-N 3.38Å; I304-V306 PolarHBondContact O-N 2.95Å; I304-K318 HydrophobicContact CB-CB 4.39Å; I304-K318 HydrophobicContact CD1-CG 4.47Å; I304-N319 WeakPolarHBondContact CA-O 3.42Å; I304-N319 PolarHBondContact O-N 2.98Å; I304-N319 VanDerWaalsContact O-N 3.07Å; I304-M320 HydrophobicContact CG2-CE 4.43Å; I304-M320 HydrophobicContact CG2-SD 3.97Å; I304-V323 HydrophobicContact CG2-CG2 3.87Å; I304-H358 HydrophobicContact CD1-CB 4.35Å; I304-I361 HydrophobicContact CD1-CD1 4.32Å; I304-I361 HydrophobicContact CD1-CG1 4.02Å; I304-I361 HydrophobicContact CG2-CD1 3.95Å; I304-I361 HydrophobicContact CG2-CG1 3.78Å
305D86.8Confident76.5Confident77 Ų7748.2 Ų48.241%0.41230%0.296SS..  trans-85.556.2-175.4-74.8-2.3000112D301 K318D301-D305 WeakPolarHBondContact O-CB 3.47Å; D301-D305 PolarHBondContact O-N 3.38Å; D305-K318 WeakPolarHBondContact OD1-CD 3.28Å; D305-K318 WeakPolarHBondContact OD1-CE 3.41Å; D305-K318 IonicContact OD1-NZ 3.94Å; D305-K318 PolarHBondContact OD1-NZ 3.49Å; D305-K318 IonicContact OD2-NZ 3.76Å
306V81.9Confident75.6Confident13 Ų1351 Ų518%0.07933%0.327CS..SBendtrans-127.7135.3179.31760000110E217 R268 I304 V308E217-V306 HydrophobicContact CG-CG1 3.76Å; R268-V306 VanDerWaalsContact CZ-CG2 3.42Å; I304-V306 PolarHBondContact O-N 2.95Å; V306-V308 PolarHBondContact O-N 3.28Å
307P71.5Confident75.1Confident77 Ų7752.6 Ų52.650%0.535%0.346SS..  trans-49134.3174.3-26.633.4000111.8E217 Q309E217-P307 VanDerWaalsContact CD-CD 3.46Å; E217-P307 VanDerWaalsContact OE2-CD 3.24Å; E217-P307 WeakPolarHBondContact OE2-CD 3.48Å; P307-Q309 PolarHBondContact O-N 2.84Å; P307-Q309 VanDerWaalsContact O-N 3.11Å
308V62.7Low75.2Confident40 Ų4054.6 Ų54.624%0.24235%0.351CS..  trans-75.6105.5178.5-175.50000108.8V306 V312 E314 N319V306-V308 PolarHBondContact O-N 3.28Å; V308-V312 HydrophobicContact CG1-CB 3.94Å; V308-V312 VanDerWaalsContact CG1-O 3.27Å; V308-V312 WeakPolarHBondContact CG1-O 3.46Å; V308-E314 HydrophobicContact CB-CG 4.21Å; V308-E314 HydrophobicContact CG1-CG 4.3Å; V308-E314 HydrophobicContact CG2-CG 3.62Å; V308-N319 HydrophobicContact CG2-CB 4.39Å
309Q57.3Low75.3Confident86 Ų8652 Ų5240%0.40233%0.332SS..  trans-92121.6176.9-63.1-176.15.600110E217 R220 P307E217-Q309 PolarHBondContact OE1-NE2 3.46Å; R220-Q309 PolarHBondContact NH1-O 3.41Å; P307-Q309 PolarHBondContact O-N 2.84Å; P307-Q309 VanDerWaalsContact O-N 3.11Å
310G50.6Low75.4Confident80 Ų8052.4 Ų52.483%0.82533%0.334SS*.SBendtrans85.541164.400000117.2V312G310-V312 VanDerWaalsContact C-N 3.29Å; G310-V312 PolarHBondContact O-N 3.18Å
311G50Low75.5Confident82 Ų8254.5 Ų54.585%0.84534%0.344SS*.SBendtrans70.719168.400000115.5
312V57.2Low75.6Confident51 Ų5153.5 Ų53.531%0.30934%0.338SS..PPolyproline II helixtrans-69.1139.9172.5-179.40000109.1V308 G310 E314V308-V312 HydrophobicContact CG1-CB 3.94Å; V308-V312 VanDerWaalsContact CG1-O 3.27Å; V308-V312 WeakPolarHBondContact CG1-O 3.46Å; G310-V312 VanDerWaalsContact C-N 3.29Å; G310-V312 PolarHBondContact O-N 3.18Å; V312-E314 PolarHBondContact O-N 3.23Å; V312-E314 VanDerWaalsContact O-N 3.15Å
313E55.2Low75.7Confident182 Ų18253.3 Ų53.385%0.8534%0.337SS*.PPolyproline II helixtrans-59.4117.6-178.5-72.7-173.9160.500111.4
314E64.6Low75.9Confident128 Ų12855.5 Ų55.560%0.59835%0.347SS*.PPolyproline II helixtrans-71.7126.7169.2-79.3176.8-168.400109.6V308 V312V308-E314 HydrophobicContact CB-CG 4.21Å; V308-E314 HydrophobicContact CG1-CG 4.3Å; V308-E314 HydrophobicContact CG2-CG 3.62Å; V312-E314 PolarHBondContact O-N 3.23Å; V312-E314 VanDerWaalsContact O-N 3.15Å
315Y70.8Confident76.2Confident53 Ų5356.8 Ų56.821%0.20836%0.355CS..BIsolated β-bridgetrans-101.499163.7-164.5-91.2000109.2G317 K318 M320 R363 Y364 T367Y315-G317 VanDerWaalsContact C-N 3.3Å; Y315-G317 PolarHBondContact O-N 3.24Å; Y315-K318 PolarHBondContact N-O 2.93Å; Y315-K318 PolarHBondContact O-N 2.9Å; Y315-M320 HydrophobicContact CD1-CE 4.44Å; Y315-R363 HydrophobicContact CE1-CB 3.86Å; Y315-R363 HydrophobicContact CE1-CG 3.94Å; Y315-R363 WeakPolarHBondContact OH-CD 3.33Å; Y315-R363 WeakPolarHBondContact OH-CG 3.39Å; Y315-R363 PolarHBondContact OH-NE 3.32Å; Y315-Y364 HydrophobicContact CD1-CD2 4.24Å; Y315-Y364 AromaticContact CD2-CD2 3.85Å; Y315-Y364 HydrophobicContact CD2-CD2 3.85Å; Y315-Y364 AromaticContact CG-CD2 3.68Å; Y315-Y364 HydrophobicContact CG-CD2 3.68Å; Y315-Y364 HydrophobicContact CG-CG 4.4Å; Y315-T367 HydrophobicContact CE2-CG2 4.43Å
316G71.9Confident76.7Confident67 Ų6753.3 Ų53.369%0.69134%0.337SS*.THydrogen-bonded Turntrans63.133.6-177.100000113.7K318G316-K318 VanDerWaalsContact C-N 3.32Å; G316-K318 PolarHBondContact O-N 3.38Å
317G79.4Confident77.4Confident48 Ų4852.8 Ų52.850%0.49533%0.333SS..THydrogen-bonded Turntrans75.514.4179.200000115.2Y315Y315-G317 VanDerWaalsContact C-N 3.3Å; Y315-G317 PolarHBondContact O-N 3.24Å
318K87.3Confident78.6Confident61 Ų6151.9 Ų51.927%0.26532%0.324SS..BIsolated β-bridgetrans-116.9152.3178.4-62.4-63.4-175173.30111.3I304 D305 Y315 G316 M320 E360I304-K318 HydrophobicContact CB-CB 4.39Å; I304-K318 HydrophobicContact CD1-CG 4.47Å; D305-K318 WeakPolarHBondContact OD1-CD 3.28Å; D305-K318 WeakPolarHBondContact OD1-CE 3.41Å; D305-K318 IonicContact OD1-NZ 3.94Å; D305-K318 PolarHBondContact OD1-NZ 3.49Å; D305-K318 IonicContact OD2-NZ 3.76Å; Y315-K318 PolarHBondContact N-O 2.93Å; Y315-K318 PolarHBondContact O-N 2.9Å; G316-K318 VanDerWaalsContact C-N 3.32Å; G316-K318 PolarHBondContact O-N 3.38Å; K318-M320 HydrophobicContact CB-CE 3.69Å; K318-E360 HydrophobicContact CG-CB 4.11Å; K318-E360 HydrophobicContact CG-CG 3.91Å
319N88.8Confident80.3Confident9 Ų950.1 Ų50.15%0.04831%0.313CS..  trans-85.1117.8177.6-175.7-38000110.4I304 V308 E321I304-N319 WeakPolarHBondContact CA-O 3.42Å; I304-N319 PolarHBondContact O-N 2.98Å; I304-N319 VanDerWaalsContact O-N 3.07Å; V308-N319 HydrophobicContact CG2-CB 4.39Å; N319-E321 VanDerWaalsContact OD1-CB 3.25Å; N319-E321 WeakPolarHBondContact OD1-CB 3.42Å; N319-E321 PolarHBondContact OD1-N 3.02Å
320M91.3Very high82.2Confident7 Ų746 Ų463%0.03429%0.294CS..  trans-103.38.8-178.2-63.7-60168.300114.3I304 Y315 K318 A322 V323 Q324 E360 Y364I304-M320 HydrophobicContact CG2-CE 4.43Å; I304-M320 HydrophobicContact CG2-SD 3.97Å; Y315-M320 HydrophobicContact CD1-CE 4.44Å; K318-M320 HydrophobicContact CB-CE 3.69Å; M320-A322 PolarHBondContact O-N 3.3Å; M320-V323 PolarHBondContact O-N 3.29Å; M320-V323 VanDerWaalsContact O-N 3.14Å; M320-V323 HydrophobicContact SD-CB 4.42Å; M320-V323 HydrophobicContact SD-CG2 4.1Å; M320-Q324 PolarHBondContact O-N 3.08Å; M320-E360 HydrophobicContact CE-CB 3.68Å; M320-Y364 HydrophobicContact CB-CD1 3.92Å; M320-Y364 HydrophobicContact CB-CD2 4.05Å; M320-Y364 HydrophobicContact CB-CE1 3.72Å; M320-Y364 HydrophobicContact CB-CE2 3.85Å; M320-Y364 HydrophobicContact CB-CG 4.05Å; M320-Y364 HydrophobicContact CG-CD1 4Å; M320-Y364 HydrophobicContact CG-CD2 3.78Å; M320-Y364 HydrophobicContact CG-CE1 4.3Å; M320-Y364 HydrophobicContact CG-CE2 4.08Å; M320-Y364 HydrophobicContact CG-CG 3.71Å; M320-Y364 HydrophobicContact SD-CD1 4.24Å; M320-Y364 HydrophobicContact SD-CG 4.1Å
321E91.4Very high84.4Confident50 Ų5044.7 Ų44.723%0.23427%0.267CS..Hα-helixtrans-61.2-44.6-175-167.2177.1-166.200112R220 M272 N319 V323 Q324 V325R220-E321 IonicContact CZ-OE1 2.88Å; R220-E321 IonicContact CZ-OE2 2.74Å; R220-E321 IonicContact NE-OE1 3.72Å; R220-E321 IonicContact NE-OE2 2.62Å; R220-E321 PolarHBondContact NE-OE2 2.89Å; R220-E321 VanDerWaalsContact NH2-CD 3.33Å; R220-E321 IonicContact NH2-OE1 2.98Å; R220-E321 PolarHBondContact NH2-OE1 3.18Å; R220-E321 IonicContact NH2-OE2 3.01Å; R220-E321 PolarHBondContact NH2-OE2 3.28Å; M272-E321 HydrophobicContact CE-CG 4.49Å; M272-E321 HydrophobicContact SD-CB 4.27Å; M272-E321 HydrophobicContact SD-CG 3.63Å; N319-E321 VanDerWaalsContact OD1-CB 3.25Å; N319-E321 WeakPolarHBondContact OD1-CB 3.42Å; N319-E321 PolarHBondContact OD1-N 3.02Å; E321-V323 VanDerWaalsContact C-N 3.34Å; E321-V323 PolarHBondContact O-N 2.97Å; E321-Q324 PolarHBondContact O-N 3.07Å; E321-V325 WeakPolarHBondContact O-CG2 3.43Å; E321-V325 PolarHBondContact O-N 3.47Å
322A93.9Very high86.6Confident0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-62.8-40.6175.600000112.2R268 M272 M320 V325 L326R268-A322 HydrophobicContact CG-CB 4.1Å; M272-A322 HydrophobicContact CE-CB 4.2Å; M320-A322 PolarHBondContact O-N 3.3Å; A322-V325 PolarHBondContact O-N 3.34Å; A322-L326 VanDerWaalsContact O-CG 3.3Å; A322-L326 WeakPolarHBondContact O-CG 3.34Å; A322-L326 PolarHBondContact O-N 2.94Å; A322-L326 VanDerWaalsContact O-N 3.12Å
323V95.3Very high88.4Confident2 Ų244.1 Ų44.11%0.01223%0.234CC..Hα-helixtrans-66.2-39.7177.1-178.90000110.7I304 M320 E321 L326 L327 L351 I361 Y364 I365I304-V323 HydrophobicContact CG2-CG2 3.87Å; M320-V323 PolarHBondContact O-N 3.29Å; M320-V323 VanDerWaalsContact O-N 3.14Å; M320-V323 HydrophobicContact SD-CB 4.42Å; M320-V323 HydrophobicContact SD-CG2 4.1Å; E321-V323 VanDerWaalsContact C-N 3.34Å; E321-V323 PolarHBondContact O-N 2.97Å; V323-L326 WeakPolarHBondContact O-CB 3.35Å; V323-L326 PolarHBondContact O-N 3.46Å; V323-L327 WeakPolarHBondContact O-CG 3.24Å; V323-L327 PolarHBondContact O-N 3.23Å; V323-L351 HydrophobicContact CG1-CD2 4.47Å; V323-I361 HydrophobicContact CG1-CG2 4.29Å; V323-I361 HydrophobicContact CG2-CD1 4.41Å; V323-I361 HydrophobicContact CG2-CG1 4.23Å; V323-I361 HydrophobicContact CG2-CG2 4.45Å; V323-Y364 HydrophobicContact CB-CD1 4.47Å; V323-Y364 HydrophobicContact CG1-CD1 3.96Å; V323-Y364 HydrophobicContact CG1-CE1 4.32Å; V323-I365 HydrophobicContact CG1-CD1 3.92Å; V323-I365 HydrophobicContact CG1-CG1 3.73Å
324Q95.3Very high90.3Very high50 Ų5035.9 Ų35.923%0.23420%0.195CC..Hα-helixtrans-63.8-43.8176.1-173.359.444.700111.5M320 E321 L326 L327 D328 Y364M320-Q324 PolarHBondContact O-N 3.08Å; E321-Q324 PolarHBondContact O-N 3.07Å; Q324-L326 VanDerWaalsContact C-N 3.26Å; Q324-L326 PolarHBondContact O-N 3.36Å; Q324-L327 PolarHBondContact O-N 2.95Å; Q324-L327 VanDerWaalsContact O-N 3.11Å; Q324-D328 PolarHBondContact NE2-OD1 3.31Å; Q324-D328 VanDerWaalsContact O-CG 3.24Å; Q324-D328 PolarHBondContact O-N 3.4Å; Q324-Y364 PolarHBondContact OE1-OH 3.18Å
325V96.3Very high91.8Very high30 Ų3034.4 Ų34.418%0.18219%0.191CC..Hα-helixtrans-59.4-38.7175.1169.70000111.8L271 M272 E321 A322 F329L271-V325 HydrophobicContact CB-CG1 4.33Å; M272-V325 HydrophobicContact CE-CB 3.91Å; M272-V325 HydrophobicContact CE-CG1 4.42Å; M272-V325 HydrophobicContact CE-CG2 3.49Å; M272-V325 VanDerWaalsContact CE-CG2 3.49Å; E321-V325 WeakPolarHBondContact O-CG2 3.43Å; E321-V325 PolarHBondContact O-N 3.47Å; A322-V325 PolarHBondContact O-N 3.34Å; V325-F329 VanDerWaalsContact O-CB 3.29Å; V325-F329 WeakPolarHBondContact O-CB 3.48Å; V325-F329 PolarHBondContact O-N 3.32Å
326L97.7Very high92.8Very high3 Ų337.8 Ų37.82%0.01621%0.207CC..Hα-helixtrans-67-40.1175.1-66.8172.6000112.3L271 I289 A322 V323 Q324 F329 M330 V347 L350 L351L271-L326 HydrophobicContact CD1-CD2 3.97Å; L271-L326 HydrophobicContact CD1-CG 4.18Å; L271-L326 HydrophobicContact CD2-CD2 4.22Å; I289-L326 HydrophobicContact CD1-CD2 3.78Å; I289-L326 HydrophobicContact CG1-CD2 3.5Å; A322-L326 VanDerWaalsContact O-CG 3.3Å; A322-L326 WeakPolarHBondContact O-CG 3.34Å; A322-L326 PolarHBondContact O-N 2.94Å; A322-L326 VanDerWaalsContact O-N 3.12Å; V323-L326 WeakPolarHBondContact O-CB 3.35Å; V323-L326 PolarHBondContact O-N 3.46Å; Q324-L326 VanDerWaalsContact C-N 3.26Å; Q324-L326 PolarHBondContact O-N 3.36Å; L326-F329 PolarHBondContact O-N 3.23Å; L326-M330 WeakPolarHBondContact O-CB 3.26Å; L326-M330 PolarHBondContact O-N 2.89Å; L326-V347 HydrophobicContact CB-CG2 4.46Å; L326-L350 HydrophobicContact CD1-CD2 3.96Å; L326-L350 HydrophobicContact CD2-CD2 4.1Å; L326-L351 HydrophobicContact CB-CD2 3.85Å; L326-L351 HydrophobicContact CD1-CD2 4.2Å
327L97.1Very high93.7Very high2 Ų236.7 Ų36.71%0.0120%0.196CC..Hα-helixtrans-64.3-46.1174.9-74.9173.9000111.9V323 Q324 F329 M330 E331 L351 Y364 I365 Q368 V369V323-L327 WeakPolarHBondContact O-CG 3.24Å; V323-L327 PolarHBondContact O-N 3.23Å; Q324-L327 PolarHBondContact O-N 2.95Å; Q324-L327 VanDerWaalsContact O-N 3.11Å; L327-F329 VanDerWaalsContact C-N 3.27Å; L327-F329 PolarHBondContact O-N 2.9Å; L327-M330 HydrophobicContact CD2-CE 4.06Å; L327-M330 WeakPolarHBondContact O-CB 3.46Å; L327-M330 PolarHBondContact O-N 3.38Å; L327-E331 PolarHBondContact O-N 3.13Å; L327-L351 HydrophobicContact CD2-CD1 3.88Å; L327-Y364 HydrophobicContact CD1-CD1 4.48Å; L327-Y364 HydrophobicContact CD1-CE1 4.19Å; L327-I365 HydrophobicContact CD1-CG1 4.13Å; L327-I365 HydrophobicContact CD2-CG1 4.23Å; L327-I365 HydrophobicContact CD2-CG2 4Å; L327-I365 HydrophobicContact CG-CG1 4.42Å; L327-Q368 HydrophobicContact CD1-CB 4.22Å; L327-Q368 HydrophobicContact CD1-CG 4.23Å; L327-V369 HydrophobicContact CD2-CG2 4.17Å
328D96.9Very high94.2Very high58 Ų5837.3 Ų37.331%0.3119%0.192SC..Hα-helixtrans-62.5-39177.5-63.3-20.6000110.8Q324 E331 R332Q324-D328 PolarHBondContact NE2-OD1 3.31Å; Q324-D328 VanDerWaalsContact O-CG 3.24Å; Q324-D328 PolarHBondContact O-N 3.4Å; D328-E331 PolarHBondContact O-N 3.07Å; D328-R332 WeakPolarHBondContact O-CB 3.47Å; D328-R332 WeakPolarHBondContact O-CG 3.47Å; D328-R332 PolarHBondContact O-N 3.41Å
329F97.4Very high94.3Very high3 Ų338.8 Ų38.81%0.01320%0.203CC..Hα-helixtrans-62.8-45174.4-179.3-83.8000111.7E282 H285 I289 V325 L326 L327 R332 R333 V347E282-F329 HydrophobicContact CG-CD2 4.24Å; E282-F329 HydrophobicContact CG-CE2 3.69Å; H285-F329 HydrophobicContact CB-CD2 3.88Å; H285-F329 HydrophobicContact CB-CE2 3.79Å; I289-F329 HydrophobicContact CD1-CB 4.47Å; I289-F329 HydrophobicContact CD1-CD1 3.37Å; I289-F329 HydrophobicContact CD1-CD2 4.13Å; I289-F329 HydrophobicContact CD1-CE1 3.41Å; I289-F329 VanDerWaalsContact CD1-CE1 3.41Å; I289-F329 HydrophobicContact CD1-CE2 4.15Å; I289-F329 HydrophobicContact CD1-CG 3.74Å; I289-F329 HydrophobicContact CD1-CZ 3.79Å; V325-F329 VanDerWaalsContact O-CB 3.29Å; V325-F329 WeakPolarHBondContact O-CB 3.48Å; V325-F329 PolarHBondContact O-N 3.32Å; L326-F329 PolarHBondContact O-N 3.23Å; L327-F329 VanDerWaalsContact C-N 3.27Å; L327-F329 PolarHBondContact O-N 2.9Å; F329-R332 PolarHBondContact O-N 2.85Å; F329-R333 HydrophobicContact CD1-CG 4.04Å; F329-R333 HydrophobicContact CE1-CG 3.73Å; F329-R333 HydrophobicContact CZ-CG 4.17Å; F329-R333 WeakPolarHBondContact O-CB 3.43Å; F329-R333 VanDerWaalsContact O-CG 3.28Å; F329-R333 WeakPolarHBondContact O-CG 3.34Å; F329-R333 PolarHBondContact O-N 3.47Å; F329-V347 HydrophobicContact CD1-CB 4.13Å; F329-V347 HydrophobicContact CD1-CG1 4.12Å; F329-V347 HydrophobicContact CD1-CG2 4.14Å; F329-V347 HydrophobicContact CE1-CB 4.34Å; F329-V347 HydrophobicContact CE1-CG1 4.3Å
330M97.6Very high94.5Very high0 Ų040.5 Ų40.50%021%0.209CC..Hα-helixtrans-59.8-47.7175.6-179.6-162.968.900111.1L326 L327 R333 I334 L344 V347 L348 L351 I386 L390 F408L326-M330 WeakPolarHBondContact O-CB 3.26Å; L326-M330 PolarHBondContact O-N 2.89Å; L327-M330 HydrophobicContact CD2-CE 4.06Å; L327-M330 WeakPolarHBondContact O-CB 3.46Å; L327-M330 PolarHBondContact O-N 3.38Å; M330-R333 PolarHBondContact O-N 2.86Å; M330-I334 HydrophobicContact CE-CD1 4.39Å; M330-I334 HydrophobicContact CG-CD1 4.02Å; M330-I334 VanDerWaalsContact O-CG1 3.29Å; M330-I334 WeakPolarHBondContact O-CG1 3.39Å; M330-I334 PolarHBondContact O-N 3.11Å; M330-L344 HydrophobicContact CB-CD1 4.5Å; M330-L344 HydrophobicContact CG-CD1 3.67Å; M330-V347 HydrophobicContact CB-CG1 3.89Å; M330-V347 HydrophobicContact CB-CG2 4.07Å; M330-V347 HydrophobicContact CG-CG1 4.1Å; M330-L348 HydrophobicContact CG-CD2 4.12Å; M330-L348 HydrophobicContact CG-CG 4.47Å; M330-L348 HydrophobicContact SD-CD2 3.43Å; M330-L348 WeakPolarHBondContact SD-CD2 3.4Å; M330-L348 HydrophobicContact SD-CG 4.35Å; M330-L351 HydrophobicContact CB-CD1 4.38Å; M330-L351 HydrophobicContact SD-CD1 3.92Å; M330-I386 HydrophobicContact CE-CG2 3.72Å; M330-L390 HydrophobicContact CE-CD1 4.48Å; M330-F408 HydrophobicContact CE-CE1 4.38Å; M330-F408 HydrophobicContact SD-CE1 3.95Å; M330-F408 HydrophobicContact SD-CZ 4.36Å
331E96.7Very high94.5Very high53 Ų5346.1 Ų46.125%0.24823%0.234CC..Hα-helixtrans-62.1-46.5179.6-178.4164.9-148.100111.9L327 D328 R333 I334 D335 I386 K389L327-E331 PolarHBondContact O-N 3.13Å; D328-E331 PolarHBondContact O-N 3.07Å; E331-R333 VanDerWaalsContact C-N 3.28Å; E331-R333 PolarHBondContact O-N 2.9Å; E331-I334 PolarHBondContact O-N 2.95Å; E331-I334 VanDerWaalsContact O-N 3.07Å; E331-D335 PolarHBondContact O-N 2.99Å; E331-I386 HydrophobicContact CG-CG1 4.32Å; E331-I386 WeakPolarHBondContact OE1-CG1 3.33Å; E331-K389 IonicContact OE1-NZ 3.23Å; E331-K389 PolarHBondContact OE1-NZ 3.27Å
332R95.5Very high94.5Very high91 Ų9150.4 Ų50.434%0.34325%0.254SS..Hα-helixtrans-56.3-41.8174.2-76-170.4-63.6-87.2-2.4112.2D328 F329 I334 D335 K336D328-R332 WeakPolarHBondContact O-CB 3.47Å; D328-R332 WeakPolarHBondContact O-CG 3.47Å; D328-R332 PolarHBondContact O-N 3.41Å; F329-R332 PolarHBondContact O-N 2.85Å; R332-I334 VanDerWaalsContact C-N 3.34Å; R332-D335 PolarHBondContact O-N 3.05Å; R332-K336 WeakPolarHBondContact O-CB 3.22Å; R332-K336 PolarHBondContact O-N 3.33Å
333R95.4Very high94.4Very high30 Ų3050.7 Ų50.711%0.11326%0.257CS..Hα-helixtrans-66.6-34.7177.3-74.6-74.6172.4101.3-7.6112.6E282 S286 F329 M330 E331 G343 L344E282-R333 IonicContact OE1-CZ 2.74Å; E282-R333 VanDerWaalsContact OE1-CZ 3.23Å; E282-R333 IonicContact OE1-NE 2.73Å; E282-R333 PolarHBondContact OE1-NE 3.43Å; E282-R333 IonicContact OE1-NH2 3.3Å; E282-R333 PolarHBondContact OE1-NH2 3.44Å; S286-R333 PolarHBondContact OG-NH1 3.23Å; S286-R333 PolarHBondContact OG-NH2 3.07Å; F329-R333 HydrophobicContact CD1-CG 4.04Å; F329-R333 HydrophobicContact CE1-CG 3.73Å; F329-R333 HydrophobicContact CZ-CG 4.17Å; F329-R333 WeakPolarHBondContact O-CB 3.43Å; F329-R333 VanDerWaalsContact O-CG 3.28Å; F329-R333 WeakPolarHBondContact O-CG 3.34Å; F329-R333 PolarHBondContact O-N 3.47Å; M330-R333 PolarHBondContact O-N 2.86Å; E331-R333 VanDerWaalsContact C-N 3.28Å; E331-R333 PolarHBondContact O-N 2.9Å; R333-G343 WeakPolarHBondContact CD-O 3.48Å; R333-G343 VanDerWaalsContact NH1-CA 3.3Å; R333-G343 PolarHBondContact NH1-O 3.46Å; R333-L344 HydrophobicContact CB-CB 4.49Å; R333-L344 HydrophobicContact CB-CD1 4.02Å
334I95.8Very high94.4Very high8 Ų850.7 Ų50.74%0.04126%0.257CS..Hα-helixtrans-67.3-45.4173.4-62.3162.6000110.2M330 E331 R332 K336 G337 Y340 L344 K389 L390 L393M330-I334 HydrophobicContact CE-CD1 4.39Å; M330-I334 HydrophobicContact CG-CD1 4.02Å; M330-I334 VanDerWaalsContact O-CG1 3.29Å; M330-I334 WeakPolarHBondContact O-CG1 3.39Å; M330-I334 PolarHBondContact O-N 3.11Å; E331-I334 PolarHBondContact O-N 2.95Å; E331-I334 VanDerWaalsContact O-N 3.07Å; R332-I334 VanDerWaalsContact C-N 3.34Å; I334-K336 VanDerWaalsContact C-N 3.32Å; I334-K336 PolarHBondContact O-N 2.69Å; I334-G337 PolarHBondContact O-N 2.89Å; I334-G337 VanDerWaalsContact O-N 3.13Å; I334-Y340 PolarHBondContact O-OH 3.35Å; I334-L344 HydrophobicContact CD1-CD1 4.32Å; I334-L344 HydrophobicContact CG1-CD1 3.68Å; I334-L344 HydrophobicContact CG1-CD2 3.63Å; I334-L344 HydrophobicContact CG1-CG 4.32Å; I334-K389 HydrophobicContact CG2-CB 3.78Å; I334-K389 HydrophobicContact CG2-CD 4.2Å; I334-K389 HydrophobicContact CG2-CG 4.31Å; I334-L390 HydrophobicContact CD1-CD2 3.78Å; I334-L390 HydrophobicContact CD1-CG 4.26Å; I334-L393 HydrophobicContact CG1-CD1 4.22Å; I334-L393 HydrophobicContact CG2-CD1 4.37Å
335D95.1Very high94.4Very high97 Ų9749.6 Ų49.652%0.51925%0.254SS..Hα-helixtrans-68.1-29.7-177.8-71.6-23000113.4E331 R332 G337 K389E331-D335 PolarHBondContact O-N 2.99Å; R332-D335 PolarHBondContact O-N 3.05Å; D335-G337 PolarHBondContact O-N 3.04Å; D335-K389 WeakPolarHBondContact OD1-CD 3.42Å; D335-K389 WeakPolarHBondContact OD1-CE 3.46Å; D335-K389 IonicContact OD1-NZ 3.32Å; D335-K389 PolarHBondContact OD1-NZ 3.43Å; D335-K389 IonicContact OD2-NZ 3.07Å; D335-K389 PolarHBondContact OD2-NZ 2.98Å
336K93.1Very high94.4Very high124 Ų12449 Ų4954%0.53925%0.25SS..THydrogen-bonded Turntrans-61.6-23.7172.9-171.1174-176.5167.80113.3E282 R332 I334 S338E282-K336 IonicContact OE1-NZ 2.75Å; R332-K336 WeakPolarHBondContact O-CB 3.22Å; R332-K336 PolarHBondContact O-N 3.33Å; I334-K336 VanDerWaalsContact C-N 3.32Å; I334-K336 PolarHBondContact O-N 2.69Å; K336-S338 PolarHBondContact O-N 3.39Å; K336-S338 VanDerWaalsContact O-N 3.11Å; K336-S338 PolarHBondContact O-OG 3.14Å
337G90.1Very high94.4Very high44 Ų4448.9 Ų48.945%0.45425%0.25SC..  trans709.2169.900000116.5I334 D335 Y340I334-G337 PolarHBondContact O-N 2.89Å; I334-G337 VanDerWaalsContact O-N 3.13Å; D335-G337 PolarHBondContact O-N 3.04Å; G337-Y340 WeakPolarHBondContact CA-OH 3.35Å
338S90.5Very high94.4Very high61 Ų6148.8 Ų48.843%0.42725%0.249SC..SBendtrans-143.3157.7-173.658.50000112K336 Y340K336-S338 PolarHBondContact O-N 3.39Å; K336-S338 VanDerWaalsContact O-N 3.11Å; K336-S338 PolarHBondContact O-OG 3.14Å; S338-Y340 VanDerWaalsContact C-N 3.3Å; S338-Y340 PolarHBondContact O-N 2.9Å
339N90Very high94.4Very high92 Ų9248 Ų4849%0.49225%0.248SC..  trans51.241.7-178.5-162.618.3000114.4K341 E342 G343N339-K341 VanDerWaalsContact C-N 3.27Å; N339-K341 PolarHBondContact O-N 2.86Å; N339-E342 WeakPolarHBondContact OD1-CB 3.37Å; N339-G343 VanDerWaalsContact O-CA 3.27Å; N339-G343 WeakPolarHBondContact O-CA 3.38Å; N339-G343 PolarHBondContact O-N 3.41Å
340Y92.7Very high94.4Very high45 Ų4548.1 Ų48.118%0.17625%0.249CC..Hα-helixtrans-58.3-39.4-178.8-67-50.9000113I334 G337 S338 L344 T345 L393 H396 V401I334-Y340 PolarHBondContact O-OH 3.35Å; G337-Y340 WeakPolarHBondContact CA-OH 3.35Å; S338-Y340 VanDerWaalsContact C-N 3.3Å; S338-Y340 PolarHBondContact O-N 2.9Å; Y340-L344 HydrophobicContact CD1-CB 4.24Å; Y340-L344 HydrophobicContact CD1-CD2 3.71Å; Y340-L344 HydrophobicContact CE1-CD2 4.3Å; Y340-L344 HydrophobicContact CG-CD2 4.46Å; Y340-L344 WeakPolarHBondContact O-CA 3.28Å; Y340-L344 VanDerWaalsContact O-CB 3.28Å; Y340-L344 WeakPolarHBondContact O-CB 3.46Å; Y340-L344 PolarHBondContact O-N 2.98Å; Y340-T345 PolarHBondContact O-N 2.94Å; Y340-T345 VanDerWaalsContact O-N 3.14Å; Y340-L393 HydrophobicContact CD2-CD2 4.32Å; Y340-L393 HydrophobicContact CE1-CD2 4.39Å; Y340-L393 HydrophobicContact CE2-CD2 4.02Å; Y340-H396 AromaticContact CD2-NE2 3.7Å; Y340-V401 HydrophobicContact CG-CG1 4.42Å
341K91.6Very high94.4Very high125 Ų12548.3 Ų48.354%0.54325%0.25SS..Hα-helixtrans-60.3-53.1-176-172.8175.1-178.6174.60111.7N339 T345 V401N339-K341 VanDerWaalsContact C-N 3.27Å; N339-K341 PolarHBondContact O-N 2.86Å; K341-T345 WeakPolarHBondContact O-CB 3.39Å; K341-T345 WeakPolarHBondContact O-CG2 3.3Å; K341-T345 PolarHBondContact O-OG1 3.33Å; K341-V401 HydrophobicContact CB-CG2 4.35Å
342E90.3Very high94.4Very high140 Ų14046.2 Ų46.265%0.65424%0.241SC*.Hα-helixtrans-88.2-28-177.9-57.3172.9174.600112.3N339 P346N339-E342 WeakPolarHBondContact OD1-CB 3.37Å; E342-P346 WeakPolarHBondContact O-CD 3.49Å; E342-P346 WeakPolarHBondContact O-CG 3.45Å
343G91.9Very high94.3Very high7 Ų744.8 Ų44.87%0.07224%0.238CC..Hα-helixtrans-93.5-28.3-172.800000115.7R333 N339R333-G343 WeakPolarHBondContact CD-O 3.48Å; R333-G343 VanDerWaalsContact NH1-CA 3.3Å; R333-G343 PolarHBondContact NH1-O 3.46Å; N339-G343 VanDerWaalsContact O-CA 3.27Å; N339-G343 WeakPolarHBondContact O-CA 3.38Å; N339-G343 PolarHBondContact O-N 3.41Å
344L95.2Very high94.2Very high2 Ų243.5 Ų43.51%0.0123%0.234CC..THydrogen-bonded Turntrans-111.9-37.7-174.6178.864.7000112.8M330 R333 I334 Y340 P346 V347 L348 L393M330-L344 HydrophobicContact CB-CD1 4.5Å; M330-L344 HydrophobicContact CG-CD1 3.67Å; R333-L344 HydrophobicContact CB-CB 4.49Å; R333-L344 HydrophobicContact CB-CD1 4.02Å; I334-L344 HydrophobicContact CD1-CD1 4.32Å; I334-L344 HydrophobicContact CG1-CD1 3.68Å; I334-L344 HydrophobicContact CG1-CD2 3.63Å; I334-L344 HydrophobicContact CG1-CG 4.32Å; Y340-L344 HydrophobicContact CD1-CB 4.24Å; Y340-L344 HydrophobicContact CD1-CD2 3.71Å; Y340-L344 HydrophobicContact CE1-CD2 4.3Å; Y340-L344 HydrophobicContact CG-CD2 4.46Å; Y340-L344 WeakPolarHBondContact O-CA 3.28Å; Y340-L344 VanDerWaalsContact O-CB 3.28Å; Y340-L344 WeakPolarHBondContact O-CB 3.46Å; Y340-L344 PolarHBondContact O-N 2.98Å; L344-P346 VanDerWaalsContact C-CD 3.41Å; L344-P346 VanDerWaalsContact C-N 3.34Å; L344-V347 HydrophobicContact CD1-CG1 3.99Å; L344-V347 WeakPolarHBondContact O-CG1 3.26Å; L344-V347 PolarHBondContact O-N 2.84Å; L344-L348 HydrophobicContact CD1-CD1 4.26Å; L344-L348 HydrophobicContact CD1-CG 4.15Å; L344-L348 HydrophobicContact CD2-CD1 4.04Å; L344-L348 HydrophobicContact CG-CD1 3.72Å; L344-L348 HydrophobicContact CG-CG 4.11Å; L344-L348 PolarHBondContact O-N 3.27Å; L344-L348 VanDerWaalsContact O-N 3.13Å; L344-L393 HydrophobicContact CD2-CD1 3.55Å
345T95.9Very high94.2Very high27 Ų2743.1 Ų43.117%0.16623%0.232CC..Hα-helixtrans-60.2-33.8-177.271.60000114.5Y340 K341 L348 S349 V401Y340-T345 PolarHBondContact O-N 2.94Å; Y340-T345 VanDerWaalsContact O-N 3.14Å; K341-T345 WeakPolarHBondContact O-CB 3.39Å; K341-T345 WeakPolarHBondContact O-CG2 3.3Å; K341-T345 PolarHBondContact O-OG1 3.33Å; T345-L348 PolarHBondContact O-N 2.97Å; T345-S349 WeakPolarHBondContact O-CB 3.28Å; T345-S349 PolarHBondContact O-N 3.34Å; T345-S349 PolarHBondContact O-OG 2.93Å; T345-V401 HydrophobicContact CG2-CG2 4.22Å
346P96.6Very high94.1Very high17 Ų1741.5 Ų41.511%0.1122%0.219CC..Hα-helixtrans-65.6-42.5178.8-23.836.2000113.1I289 N290 E342 L344 S349 L350I289-P346 HydrophobicContact CG2-CB 4.19Å; N290-P346 WeakPolarHBondContact OD1-CB 3.39Å; N290-P346 WeakPolarHBondContact OD1-CG 3.31Å; E342-P346 WeakPolarHBondContact O-CD 3.49Å; E342-P346 WeakPolarHBondContact O-CG 3.45Å; L344-P346 VanDerWaalsContact C-CD 3.41Å; L344-P346 VanDerWaalsContact C-N 3.34Å; P346-S349 PolarHBondContact O-N 2.91Å; P346-L350 WeakPolarHBondContact O-CB 3.36Å; P346-L350 PolarHBondContact O-N 3.08Å
347V97.5Very high94Very high1 Ų138.6 Ų38.61%0.00621%0.213CC..Hα-helixtrans-70.3-39178.563.90000111.5I289 L326 F329 M330 L344 S349 L350 L351I289-V347 HydrophobicContact CD1-CB 4.26Å; I289-V347 HydrophobicContact CD1-CG2 4.18Å; I289-V347 HydrophobicContact CG2-CB 3.95Å; L326-V347 HydrophobicContact CB-CG2 4.46Å; F329-V347 HydrophobicContact CD1-CB 4.13Å; F329-V347 HydrophobicContact CD1-CG1 4.12Å; F329-V347 HydrophobicContact CD1-CG2 4.14Å; F329-V347 HydrophobicContact CE1-CB 4.34Å; F329-V347 HydrophobicContact CE1-CG1 4.3Å; M330-V347 HydrophobicContact CB-CG1 3.89Å; M330-V347 HydrophobicContact CB-CG2 4.07Å; M330-V347 HydrophobicContact CG-CG1 4.1Å; L344-V347 HydrophobicContact CD1-CG1 3.99Å; L344-V347 WeakPolarHBondContact O-CG1 3.26Å; L344-V347 PolarHBondContact O-N 2.84Å; V347-S349 VanDerWaalsContact C-N 3.33Å; V347-S349 PolarHBondContact O-N 3.1Å; V347-L350 PolarHBondContact O-N 3.43Å; V347-L351 HydrophobicContact CG2-CD1 4.05Å; V347-L351 HydrophobicContact CG2-CG 4.33Å; V347-L351 WeakPolarHBondContact O-CB 3.47Å; V347-L351 VanDerWaalsContact O-CG 3.3Å; V347-L351 WeakPolarHBondContact O-CG 3.45Å; V347-L351 PolarHBondContact O-N 2.77Å
348L97.5Very high94Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-61.3-43.6173.7-76.4172.6000111.3M330 L344 T345 L351 T352 L390 T404 A405 F408M330-L348 HydrophobicContact CG-CD2 4.12Å; M330-L348 HydrophobicContact CG-CG 4.47Å; M330-L348 HydrophobicContact SD-CD2 3.43Å; M330-L348 WeakPolarHBondContact SD-CD2 3.4Å; M330-L348 HydrophobicContact SD-CG 4.35Å; L344-L348 HydrophobicContact CD1-CD1 4.26Å; L344-L348 HydrophobicContact CD1-CG 4.15Å; L344-L348 HydrophobicContact CD2-CD1 4.04Å; L344-L348 HydrophobicContact CG-CD1 3.72Å; L344-L348 HydrophobicContact CG-CG 4.11Å; L344-L348 PolarHBondContact O-N 3.27Å; L344-L348 VanDerWaalsContact O-N 3.13Å; T345-L348 PolarHBondContact O-N 2.97Å; L348-L351 PolarHBondContact O-N 2.83Å; L348-T352 VanDerWaalsContact O-CB 3.28Å; L348-T352 WeakPolarHBondContact O-CB 3.47Å; L348-T352 PolarHBondContact O-N 3.03Å; L348-T352 PolarHBondContact O-OG1 2.97Å; L348-L390 HydrophobicContact CD2-CD2 3.89Å; L348-T404 HydrophobicContact CB-CG2 3.54Å; L348-T404 HydrophobicContact CD1-CG2 4.15Å; L348-A405 HydrophobicContact CD1-CB 4.43Å; L348-F408 HydrophobicContact CD2-CB 4.19Å; L348-F408 HydrophobicContact CD2-CD1 3.58Å; L348-F408 HydrophobicContact CD2-CE1 4.08Å; L348-F408 HydrophobicContact CD2-CG 3.94Å
349S96.6Very high94Very high40 Ų4041.7 Ų41.728%0.2820%0.203SC..Hα-helixtrans-62.9-45.3179.1-58.30000111.4T345 P346 V347 T352 E353T345-S349 WeakPolarHBondContact O-CB 3.28Å; T345-S349 PolarHBondContact O-N 3.34Å; T345-S349 PolarHBondContact O-OG 2.93Å; P346-S349 PolarHBondContact O-N 2.91Å; V347-S349 VanDerWaalsContact C-N 3.33Å; V347-S349 PolarHBondContact O-N 3.1Å; S349-T352 WeakPolarHBondContact O-CB 3.48Å; S349-T352 PolarHBondContact O-N 3.46Å; S349-E353 WeakPolarHBondContact O-CB 3.5Å; S349-E353 PolarHBondContact O-N 3.38Å
350L96.8Very high94Very high6 Ų639.4 Ų39.43%0.03119%0.189CC..Hα-helixtrans-60.4-47.5176.8177.862.8000112.1I289 L292 L300 L326 P346 V347 T352 E353 G354I289-L350 HydrophobicContact CG2-CD2 4.15Å; L292-L350 HydrophobicContact CB-CD1 3.94Å; L292-L350 HydrophobicContact CB-CD2 3.76Å; L292-L350 HydrophobicContact CD1-CD2 3.94Å; L300-L350 HydrophobicContact CD1-CD1 3.99Å; L300-L350 HydrophobicContact CD2-CD1 3.92Å; L326-L350 HydrophobicContact CD1-CD2 3.96Å; L326-L350 HydrophobicContact CD2-CD2 4.1Å; P346-L350 WeakPolarHBondContact O-CB 3.36Å; P346-L350 PolarHBondContact O-N 3.08Å; V347-L350 PolarHBondContact O-N 3.43Å; L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 PolarHBondContact O-N 2.84Å; L350-E353 PolarHBondContact O-N 3.32Å; L350-G354 PolarHBondContact O-N 3.43Å
351L97.2Very high94.1Very high5 Ų537.5 Ų37.53%0.02618%0.182CC..Hα-helixtrans-67.1-34.2178.6-68.5174.3000112.2V323 L326 L327 M330 V347 L348 S355 I365 F408V323-L351 HydrophobicContact CG1-CD2 4.47Å; L326-L351 HydrophobicContact CB-CD2 3.85Å; L326-L351 HydrophobicContact CD1-CD2 4.2Å; L327-L351 HydrophobicContact CD2-CD1 3.88Å; M330-L351 HydrophobicContact CB-CD1 4.38Å; M330-L351 HydrophobicContact SD-CD1 3.92Å; V347-L351 HydrophobicContact CG2-CD1 4.05Å; V347-L351 HydrophobicContact CG2-CG 4.33Å; V347-L351 WeakPolarHBondContact O-CB 3.47Å; V347-L351 VanDerWaalsContact O-CG 3.3Å; V347-L351 WeakPolarHBondContact O-CG 3.45Å; V347-L351 PolarHBondContact O-N 2.77Å; L348-L351 PolarHBondContact O-N 2.83Å; L351-S355 VanDerWaalsContact O-CB 3.22Å; L351-S355 WeakPolarHBondContact O-CB 3.41Å; L351-S355 PolarHBondContact O-N 3.31Å; L351-S355 PolarHBondContact O-OG 3.19Å; L351-I365 HydrophobicContact CB-CD1 4.22Å; L351-I365 HydrophobicContact CD2-CD1 3.75Å; L351-I365 HydrophobicContact CG-CD1 4.5Å; L351-F408 HydrophobicContact CB-CD2 4.33Å; L351-F408 HydrophobicContact CB-CE2 3.66Å; L351-F408 HydrophobicContact CB-CZ 4.22Å; L351-F408 HydrophobicContact CD1-CZ 4.38Å
352T96.7Very high94.2Very high8 Ų832.4 Ų32.45%0.04916%0.16CC..Hα-helixtrans-64-52.4174.9-58.80000110.5L348 S349 L350 S355 R356 E407 F408 V411L348-T352 VanDerWaalsContact O-CB 3.28Å; L348-T352 WeakPolarHBondContact O-CB 3.47Å; L348-T352 PolarHBondContact O-N 3.03Å; L348-T352 PolarHBondContact O-OG1 2.97Å; S349-T352 WeakPolarHBondContact O-CB 3.48Å; S349-T352 PolarHBondContact O-N 3.46Å; L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 PolarHBondContact O-N 2.84Å; T352-S355 WeakPolarHBondContact O-CB 3.24Å; T352-S355 PolarHBondContact O-N 3.07Å; T352-S355 VanDerWaalsContact O-N 3.17Å; T352-R356 PolarHBondContact O-N 3.45Å; T352-E407 HydrophobicContact CG2-CG 4.02Å; T352-F408 WeakPolarHBondContact OG1-CA 3.12Å; T352-F408 WeakPolarHBondContact OG1-CB 3.25Å; T352-F408 WeakPolarHBondContact OG1-CD2 3.35Å; T352-V411 HydrophobicContact CG2-CB 4.13Å; T352-V411 HydrophobicContact CG2-CG2 3.68Å
353E93.9Very high94.3Very high62 Ų6231.3 Ų31.329%0.2915%0.15SC..Hα-helixtrans-68-40.9-177.9-172.153.2-140.700111.8A297 S349 L350 S355 R356 C357A297-E353 HydrophobicContact CB-CG 3.69Å; A297-E353 WeakPolarHBondContact CB-OE1 3.28Å; S349-E353 WeakPolarHBondContact O-CB 3.5Å; S349-E353 PolarHBondContact O-N 3.38Å; L350-E353 PolarHBondContact O-N 3.32Å; E353-S355 VanDerWaalsContact C-N 3.26Å; E353-S355 PolarHBondContact O-N 3.11Å; E353-R356 WeakPolarHBondContact O-CB 3.26Å; E353-R356 PolarHBondContact O-N 2.79Å; E353-R356 VanDerWaalsContact O-N 3.13Å; E353-R356 IonicContact OE2-CZ 3.56Å; E353-R356 IonicContact OE2-NH1 3.67Å; E353-R356 PolarHBondContact OE2-NH1 2.92Å; E353-C357 PolarHBondContact O-N 3.36Å; E353-C357 PolarHBondContact OE1-SG 2.98Å
354G93.7Very high94.5Very high3 Ų332.6 Ų32.63%0.03115%0.152CC..Hα-helixtrans-57.8-38.7171.100000112.5L350 H358L350-G354 PolarHBondContact O-N 3.43Å; G354-H358 WeakPolarHBondContact O-CB 3.34Å; G354-H358 PolarHBondContact O-N 3.37Å
355S94.9Very high94.5Very high0 Ų032.5 Ų32.50%015%0.152CC..Hα-helixtrans-73.2-29176.2-63.30000113.7L351 T352 E353 R362L351-S355 VanDerWaalsContact O-CB 3.22Å; L351-S355 WeakPolarHBondContact O-CB 3.41Å; L351-S355 PolarHBondContact O-N 3.31Å; L351-S355 PolarHBondContact O-OG 3.19Å; T352-S355 WeakPolarHBondContact O-CB 3.24Å; T352-S355 PolarHBondContact O-N 3.07Å; T352-S355 VanDerWaalsContact O-N 3.17Å; E353-S355 VanDerWaalsContact C-N 3.26Å; E353-S355 PolarHBondContact O-N 3.11Å; S355-R362 WeakPolarHBondContact O-CB 3.28Å; S355-R362 WeakPolarHBondContact O-CD 3.44Å; S355-R362 PolarHBondContact O-NH1 3.32Å
356R93.3Very high94.5Very high62 Ų6233 Ų3323%0.23415%0.152CC..Hα-helixtrans-68.5-47.1175-167.8175.6-73.5116.9-3.3110.2T352 E353 E407 V411 E415 T446T352-R356 PolarHBondContact O-N 3.45Å; E353-R356 WeakPolarHBondContact O-CB 3.26Å; E353-R356 PolarHBondContact O-N 2.79Å; E353-R356 VanDerWaalsContact O-N 3.13Å; E353-R356 IonicContact OE2-CZ 3.56Å; E353-R356 IonicContact OE2-NH1 3.67Å; E353-R356 PolarHBondContact OE2-NH1 2.92Å; R356-E407 IonicContact NH2-OE1 2.88Å; R356-E407 PolarHBondContact NH2-OE1 2.69Å; R356-V411 HydrophobicContact CB-CG1 4.32Å; R356-V411 VanDerWaalsContact NH2-CG2 3.35Å; R356-E415 IonicContact NE-OE1 3.56Å; R356-T446 HydrophobicContact CG-CG2 3.87Å
357C90.3Very high94.3Very high63 Ų6335 Ų3543%0.42616%0.164SC..Hα-helixtrans-81.2-36.4-176.2-72.90000114.7A297 E353A297-C357 HydrophobicContact CB-CB 4.21Å; A297-C357 WeakPolarHBondContact CB-SG 3.43Å; E353-C357 PolarHBondContact O-N 3.36Å; E353-C357 PolarHBondContact OE1-SG 2.98Å
358H90Very high94.2Very high29 Ų2939.3 Ų39.313%0.13418%0.184CC..  trans-116.6113.8-173.3-59.9-71.5000111.5A297 D301 I304 G354 E360 I361 R362A297-H358 PolarHBondContact O-NE2 3.2Å; D301-H358 PolarHBondContact N-NE2 3.18Å; I304-H358 HydrophobicContact CD1-CB 4.35Å; G354-H358 WeakPolarHBondContact O-CB 3.34Å; G354-H358 PolarHBondContact O-N 3.37Å; H358-E360 VanDerWaalsContact C-N 3.3Å; H358-E360 PolarHBondContact O-N 2.87Å; H358-I361 HydrophobicContact CB-CB 4.04Å; H358-I361 HydrophobicContact CB-CD1 3.74Å; H358-I361 HydrophobicContact CB-CG1 3.75Å; H358-I361 PolarHBondContact O-N 2.97Å; H358-R362 PolarHBondContact O-N 3.36Å; H358-R362 VanDerWaalsContact O-N 3.09Å
359R91.5Very high94.2Very high142 Ų14239.3 Ų39.354%0.53618%0.184SC..Hα-helixtrans-60.6-40.3-178.2179.7-177.268.3167.40.8112.1R362 R363R359-R362 PolarHBondContact O-N 3.46Å; R359-R363 WeakPolarHBondContact O-CB 3.49Å; R359-R363 PolarHBondContact O-N 3.49Å
360E90.9Very high94.1Very high43 Ų4337.6 Ų37.620%0.20117%0.171CC..Hα-helixtrans-67.2-41.9-176.8-67.866.6-14700110.7K318 M320 H358 R363 Y364K318-E360 HydrophobicContact CG-CB 4.11Å; K318-E360 HydrophobicContact CG-CG 3.91Å; M320-E360 HydrophobicContact CE-CB 3.68Å; H358-E360 VanDerWaalsContact C-N 3.3Å; H358-E360 PolarHBondContact O-N 2.87Å; E360-R363 PolarHBondContact O-N 2.74Å; E360-Y364 WeakPolarHBondContact O-CB 3.28Å; E360-Y364 PolarHBondContact O-N 2.93Å
361I92.8Very high93.9Very high5 Ų540.2 Ų40.23%0.02619%0.189CC..Hα-helixtrans-59.1-52.4172.1-62.8-175.9000109.9I304 V323 H358 R363 Y364 I365I304-I361 HydrophobicContact CD1-CD1 4.32Å; I304-I361 HydrophobicContact CD1-CG1 4.02Å; I304-I361 HydrophobicContact CG2-CD1 3.95Å; I304-I361 HydrophobicContact CG2-CG1 3.78Å; V323-I361 HydrophobicContact CG1-CG2 4.29Å; V323-I361 HydrophobicContact CG2-CD1 4.41Å; V323-I361 HydrophobicContact CG2-CG1 4.23Å; V323-I361 HydrophobicContact CG2-CG2 4.45Å; H358-I361 HydrophobicContact CB-CB 4.04Å; H358-I361 HydrophobicContact CB-CD1 3.74Å; H358-I361 HydrophobicContact CB-CG1 3.75Å; H358-I361 PolarHBondContact O-N 2.97Å; I361-R363 VanDerWaalsContact C-N 3.34Å; I361-R363 PolarHBondContact O-N 2.84Å; I361-Y364 PolarHBondContact O-N 3.39Å; I361-I365 HydrophobicContact CG2-CD1 3.48Å; I361-I365 VanDerWaalsContact CG2-CD1 3.48Å; I361-I365 HydrophobicContact CG2-CG1 4.22Å; I361-I365 WeakPolarHBondContact O-CB 3.5Å; I361-I365 VanDerWaalsContact O-CG1 3.29Å; I361-I365 WeakPolarHBondContact O-CG1 3.42Å; I361-I365 PolarHBondContact O-N 2.94Å
362R94.9Very high93.7Very high18 Ų1843.2 Ų43.27%0.06821%0.209CC..Hα-helixtrans-57.2-46.9-179.1-174.5175.259.9-111.36112.2S355 H358 R359 K366 V411 L412 Y448S355-R362 WeakPolarHBondContact O-CB 3.28Å; S355-R362 WeakPolarHBondContact O-CD 3.44Å; S355-R362 PolarHBondContact O-NH1 3.32Å; H358-R362 PolarHBondContact O-N 3.36Å; H358-R362 VanDerWaalsContact O-N 3.09Å; R359-R362 PolarHBondContact O-N 3.46Å; R362-K366 WeakPolarHBondContact O-CB 3.29Å; R362-K366 PolarHBondContact O-N 2.99Å; R362-V411 WeakPolarHBondContact CD-O 3.49Å; R362-L412 HydrophobicContact CG-CD2 4.2Å; R362-Y448 VanDerWaalsContact CZ-CD1 3.46Å
363R93.1Very high93.3Very high118 Ų11843.2 Ų43.245%0.44521%0.208SC..Hα-helixtrans-68.2-41.8-176.3-162.8-163.4-176.2177.49.2110.6Y315 R359 E360 I361 K366 T367 E452Y315-R363 HydrophobicContact CE1-CB 3.86Å; Y315-R363 HydrophobicContact CE1-CG 3.94Å; Y315-R363 WeakPolarHBondContact OH-CD 3.33Å; Y315-R363 WeakPolarHBondContact OH-CG 3.39Å; Y315-R363 PolarHBondContact OH-NE 3.32Å; R359-R363 WeakPolarHBondContact O-CB 3.49Å; R359-R363 PolarHBondContact O-N 3.49Å; E360-R363 PolarHBondContact O-N 2.74Å; I361-R363 VanDerWaalsContact C-N 3.34Å; I361-R363 PolarHBondContact O-N 2.84Å; R363-K366 PolarHBondContact O-N 3.08Å; R363-T367 WeakPolarHBondContact O-CG2 3.25Å; R363-T367 PolarHBondContact O-N 3.23Å; R363-T367 PolarHBondContact O-OG1 2.88Å; R363-E452 IonicContact CZ-OE1 2.69Å; R363-E452 IonicContact CZ-OE2 2.75Å; R363-E452 IonicContact NE-OE2 3.43Å; R363-E452 IonicContact NH2-OE1 3.33Å; R363-E452 PolarHBondContact NH2-OE1 3.49Å; R363-E452 VanDerWaalsContact NH2-OE1 3.16Å; R363-E452 IonicContact NH2-OE2 3.46Å; R363-E452 PolarHBondContact NH2-OE2 2.64Å
364Y94.2Very high92.8Very high33 Ų3347.6 Ų47.613%0.12923%0.226CC..Hα-helixtrans-60-53.7173.6-178.6-104.6000111.7Y315 M320 V323 Q324 L327 E360 I361 K366 T367 Q368Y315-Y364 HydrophobicContact CD1-CD2 4.24Å; Y315-Y364 AromaticContact CD2-CD2 3.85Å; Y315-Y364 HydrophobicContact CD2-CD2 3.85Å; Y315-Y364 AromaticContact CG-CD2 3.68Å; Y315-Y364 HydrophobicContact CG-CD2 3.68Å; Y315-Y364 HydrophobicContact CG-CG 4.4Å; M320-Y364 HydrophobicContact CB-CD1 3.92Å; M320-Y364 HydrophobicContact CB-CD2 4.05Å; M320-Y364 HydrophobicContact CB-CE1 3.72Å; M320-Y364 HydrophobicContact CB-CE2 3.85Å; M320-Y364 HydrophobicContact CB-CG 4.05Å; M320-Y364 HydrophobicContact CG-CD1 4Å; M320-Y364 HydrophobicContact CG-CD2 3.78Å; M320-Y364 HydrophobicContact CG-CE1 4.3Å; M320-Y364 HydrophobicContact CG-CE2 4.08Å; M320-Y364 HydrophobicContact CG-CG 3.71Å; M320-Y364 HydrophobicContact SD-CD1 4.24Å; M320-Y364 HydrophobicContact SD-CG 4.1Å; V323-Y364 HydrophobicContact CB-CD1 4.47Å; V323-Y364 HydrophobicContact CG1-CD1 3.96Å; V323-Y364 HydrophobicContact CG1-CE1 4.32Å; Q324-Y364 PolarHBondContact OE1-OH 3.18Å; L327-Y364 HydrophobicContact CD1-CD1 4.48Å; L327-Y364 HydrophobicContact CD1-CE1 4.19Å; E360-Y364 WeakPolarHBondContact O-CB 3.28Å; E360-Y364 PolarHBondContact O-N 2.93Å; I361-Y364 PolarHBondContact O-N 3.39Å; Y364-K366 VanDerWaalsContact C-N 3.3Å; Y364-K366 PolarHBondContact O-N 3.11Å; Y364-T367 PolarHBondContact O-N 3.38Å; Y364-T367 PolarHBondContact O-OG1 3.17Å; Y364-Q368 HydrophobicContact CE1-CG 4.33Å; Y364-Q368 PolarHBondContact O-N 3.33Å
365I96.2Very high92.2Very high0 Ų051.1 Ų51.10%025%0.245CC..Hα-helixtrans-59.4-42.9178.5-66.2174000110.8V323 L327 L351 I361 T367 Q368 V369 F408 L412V323-I365 HydrophobicContact CG1-CD1 3.92Å; V323-I365 HydrophobicContact CG1-CG1 3.73Å; L327-I365 HydrophobicContact CD1-CG1 4.13Å; L327-I365 HydrophobicContact CD2-CG1 4.23Å; L327-I365 HydrophobicContact CD2-CG2 4Å; L327-I365 HydrophobicContact CG-CG1 4.42Å; L351-I365 HydrophobicContact CB-CD1 4.22Å; L351-I365 HydrophobicContact CD2-CD1 3.75Å; L351-I365 HydrophobicContact CG-CD1 4.5Å; I361-I365 HydrophobicContact CG2-CD1 3.48Å; I361-I365 VanDerWaalsContact CG2-CD1 3.48Å; I361-I365 HydrophobicContact CG2-CG1 4.22Å; I361-I365 WeakPolarHBondContact O-CB 3.5Å; I361-I365 VanDerWaalsContact O-CG1 3.29Å; I361-I365 WeakPolarHBondContact O-CG1 3.42Å; I361-I365 PolarHBondContact O-N 2.94Å; I365-T367 VanDerWaalsContact C-N 3.29Å; I365-T367 PolarHBondContact O-N 2.9Å; I365-Q368 PolarHBondContact O-N 2.95Å; I365-Q368 VanDerWaalsContact O-N 3.13Å; I365-V369 HydrophobicContact CG2-CB 4.47Å; I365-V369 HydrophobicContact CG2-CG2 3.74Å; I365-V369 WeakPolarHBondContact O-CB 3.49Å; I365-V369 WeakPolarHBondContact O-CG2 3.42Å; I365-V369 PolarHBondContact O-N 3.4Å; I365-F408 HydrophobicContact CG2-CE2 4.04Å; I365-F408 HydrophobicContact CG2-CZ 3.6Å; I365-L412 HydrophobicContact CB-CD2 3.94Å; I365-L412 HydrophobicContact CG2-CD1 3.74Å; I365-L412 HydrophobicContact CG2-CD2 3.55Å; I365-L412 HydrophobicContact CG2-CG 4.28Å
366K95.4Very high91.7Very high39 Ų3951.9 Ų51.917%0.1725%0.249CC..Hα-helixtrans-58-41.4176.6-173.7-176.4-177.1177.70111.3R362 R363 Y364 Q368 L370 L412R362-K366 WeakPolarHBondContact O-CB 3.29Å; R362-K366 PolarHBondContact O-N 2.99Å; R363-K366 PolarHBondContact O-N 3.08Å; Y364-K366 VanDerWaalsContact C-N 3.3Å; Y364-K366 PolarHBondContact O-N 3.11Å; K366-Q368 VanDerWaalsContact C-N 3.3Å; K366-Q368 PolarHBondContact O-N 3.18Å; K366-L370 HydrophobicContact CG-CB 4.16Å; K366-L370 CarbonylContact O-C 3.32Å; K366-L370 VanDerWaalsContact O-CA 3.26Å; K366-L370 WeakPolarHBondContact O-CA 3.5Å; K366-L370 PolarHBondContact O-N 3.03Å; K366-L412 WeakPolarHBondContact CD-O 3.32Å
367T93.7Very high91.4Very high58 Ų5856.6 Ų56.636%0.35627%0.271SS..Hα-helixtrans-65.2-32.7177.855.10000113.6Y315 R363 Y364 I365Y315-T367 HydrophobicContact CE2-CG2 4.43Å; R363-T367 WeakPolarHBondContact O-CG2 3.25Å; R363-T367 PolarHBondContact O-N 3.23Å; R363-T367 PolarHBondContact O-OG1 2.88Å; Y364-T367 PolarHBondContact O-N 3.38Å; Y364-T367 PolarHBondContact O-OG1 3.17Å; I365-T367 VanDerWaalsContact C-N 3.29Å; I365-T367 PolarHBondContact O-N 2.9Å
368Q94.7Very high91.4Very high91 Ų9157.9 Ų57.943%0.42527%0.274SS..Hα-helixtrans-81-43178.3-59.3-59.4-23.500112.3L327 Y364 I365 K366L327-Q368 HydrophobicContact CD1-CB 4.22Å; L327-Q368 HydrophobicContact CD1-CG 4.23Å; Y364-Q368 HydrophobicContact CE1-CG 4.33Å; Y364-Q368 PolarHBondContact O-N 3.33Å; I365-Q368 PolarHBondContact O-N 2.95Å; I365-Q368 VanDerWaalsContact O-N 3.13Å; K366-Q368 VanDerWaalsContact C-N 3.3Å; K366-Q368 PolarHBondContact O-N 3.18Å
369V96.6Very high91.5Very high1 Ų162 Ų621%0.00629%0.288CS..Hα-helixtrans-88.4-42.3-173.1179.60000112.1L327 I365 P371 I386 R387 L390 F408 L409 L412L327-V369 HydrophobicContact CD2-CG2 4.17Å; I365-V369 HydrophobicContact CG2-CB 4.47Å; I365-V369 HydrophobicContact CG2-CG2 3.74Å; I365-V369 WeakPolarHBondContact O-CB 3.49Å; I365-V369 WeakPolarHBondContact O-CG2 3.42Å; I365-V369 PolarHBondContact O-N 3.4Å; V369-P371 WeakPolarHBondContact O-CD 3.32Å; V369-I386 HydrophobicContact CG1-CG2 4.06Å; V369-I386 HydrophobicContact CG2-CG2 4.11Å; V369-R387 WeakPolarHBondContact O-CB 3.39Å; V369-L390 HydrophobicContact CG1-CD1 3.59Å; V369-F408 HydrophobicContact CG2-CE1 4.47Å; V369-F408 HydrophobicContact CG2-CZ 4.5Å; V369-L409 HydrophobicContact CG1-CD2 4.08Å; V369-L412 HydrophobicContact CB-CD1 4.05Å; V369-L412 HydrophobicContact CG1-CD1 4.07Å; V369-L412 HydrophobicContact CG2-CD1 4.46Å
370L95.3Very high91.7Very high3 Ų355.5 Ų55.52%0.01626%0.264CS..SBendtrans-124.559.6-174.5-61.6-179.7000111.2K366 R387 L409 L412 Y423K366-L370 HydrophobicContact CG-CB 4.16Å; K366-L370 CarbonylContact O-C 3.32Å; K366-L370 VanDerWaalsContact O-CA 3.26Å; K366-L370 WeakPolarHBondContact O-CA 3.5Å; K366-L370 PolarHBondContact O-N 3.03Å; L370-R387 HydrophobicContact CD2-CB 4.21Å; L370-R387 HydrophobicContact CD2-CG 3.68Å; L370-L409 HydrophobicContact CD1-CD2 4.31Å; L370-L409 HydrophobicContact CD2-CD2 4.07Å; L370-L409 HydrophobicContact CG-CD2 4.36Å; L370-L412 HydrophobicContact CD1-CB 3.94Å; L370-L412 HydrophobicContact CD1-CD1 4.35Å; L370-Y423 HydrophobicContact CB-CD1 4.14Å; L370-Y423 HydrophobicContact CB-CE1 4.01Å; L370-Y423 HydrophobicContact CB-CG 4.46Å; L370-Y423 HydrophobicContact CD1-CD2 4.29Å; L370-Y423 HydrophobicContact CD1-CG 4.37Å; L370-Y423 HydrophobicContact CD2-CD1 3.95Å; L370-Y423 HydrophobicContact CD2-CG 3.99Å; L370-Y423 PolarHBondContact O-OH 2.66Å
371P92.8Very high91.9Very high62 Ų6255.4 Ų55.440%0.40326%0.264SS..PPolyproline II helixtrans-59.3153.2177.227.5-35.3000110.8V369 L373 Y423V369-P371 WeakPolarHBondContact O-CD 3.32Å; P371-L373 PolarHBondContact O-N 3.01Å; P371-Y423 WeakPolarHBondContact O-CE1 3.36Å
372P91.9Very high91.9Very high67 Ų6759 Ų5944%0.43529%0.286SS..PPolyproline II helixtrans-48.6130.4176.4-28.435.6000111.9K374 T456P372-K374 PolarHBondContact O-N 3.18Å; P372-T456 HydrophobicContact CB-CG2 3.58Å
373L88.6Confident91.8Very high8 Ų859.9 Ų59.94%0.04230%0.301CS..PPolyproline II helixtrans-66.3127.5-172.7-64.9-178.9000110.6P371 V376 K422 Y423 T456 Y459P371-L373 PolarHBondContact O-N 3.01Å; L373-V376 HydrophobicContact CB-CG1 4.33Å; L373-V376 HydrophobicContact CD1-CG1 4.35Å; L373-K422 HydrophobicContact CD1-CD 4.26Å; L373-K422 HydrophobicContact CD1-CG 3.55Å; L373-K422 WeakPolarHBondContact CD1-O 3.26Å; L373-Y423 HydrophobicContact CD1-CD1 4.29Å; L373-Y423 HydrophobicContact CD1-CE1 4.38Å; L373-Y423 HydrophobicContact CD2-CD1 3.62Å; L373-Y423 HydrophobicContact CD2-CE1 3.7Å; L373-Y423 HydrophobicContact CG-CD1 3.95Å; L373-Y423 HydrophobicContact CG-CE1 3.71Å; L373-T456 WeakPolarHBondContact O-CB 3.27Å; L373-T456 VanDerWaalsContact O-CG2 3.23Å; L373-T456 WeakPolarHBondContact O-CG2 3.38Å; L373-T456 PolarHBondContact O-OG1 3.41Å; L373-Y459 HydrophobicContact CB-CD2 3.95Å; L373-Y459 HydrophobicContact CB-CG 4.5Å; L373-Y459 HydrophobicContact CD1-CD2 3.73Å; L373-Y459 HydrophobicContact CD1-CE2 3.63Å; L373-Y459 HydrophobicContact CG-CD2 4.46Å
374K84.9Confident91.8Very high154 Ų15460 Ų6067%0.6732%0.315SS*.  trans-116.3-39.9171.4-63.3-175.1-179.8-174.70111.9P372 T456P372-K374 PolarHBondContact O-N 3.18Å; K374-T456 HydrophobicContact CG-CG2 4.4Å
375D79.4Confident91.9Very high78 Ų7861.9 Ų61.942%0.41733%0.33SS..  trans-103.4120.8173.9-178.320.4000110.6K377 N378D375-K377 WeakPolarHBondContact OD1-CB 3.46Å; D375-K377 PolarHBondContact OD1-N 2.97Å; D375-N378 PolarHBondContact OD2-ND2 3.21Å
376V84.8Confident91.9Very high15 Ų1563 Ų639%0.09134%0.335CS..  trans-123.616.2175.8-65.20000112.3L373 Y459 A462 I466 H472 V473L373-V376 HydrophobicContact CB-CG1 4.33Å; L373-V376 HydrophobicContact CD1-CG1 4.35Å; V376-Y459 HydrophobicContact CG1-CD2 3.78Å; V376-Y459 HydrophobicContact CG1-CE2 4.2Å; V376-A462 HydrophobicContact CG2-CB 3.5Å; V376-A462 VanDerWaalsContact CG2-CB 3.5Å; V376-I466 HydrophobicContact CB-CD1 4.05Å; V376-I466 HydrophobicContact CB-CG1 4.48Å; V376-I466 HydrophobicContact CG1-CD1 4.02Å; V376-I466 HydrophobicContact CG2-CD1 4.17Å; V376-I466 HydrophobicContact CG2-CG1 4.43Å; V376-H472 CarbonylContact O-C 3.54Å; V376-H472 VanDerWaalsContact O-CA 3.31Å; V376-H472 WeakPolarHBondContact O-CA 3.45Å; V376-H472 WeakPolarHBondContact O-CB 3.21Å; V376-V473 HydrophobicContact CG2-CG2 3.97Å; V376-V473 PolarHBondContact O-N 3.35Å
377K87Confident91.9Very high162 Ų16263 Ų6370%0.70434%0.335SS*.SBendtrans-81.7-34176.7-63.5-174.5177.5-173.50112.2D375 H472D375-K377 WeakPolarHBondContact OD1-CB 3.46Å; D375-K377 PolarHBondContact OD1-N 2.97Å; K377-H472 PolarHBondContact O-CD2 3.02Å; K377-H472 VanDerWaalsContact O-CD2 3.25Å
378N90.5Very high92Very high90 Ų9060.6 Ų60.648%0.48132%0.319SS..SBendtrans-90.6147179.5-65.2-61.6000110.6D375 H472D375-N378 PolarHBondContact OD2-ND2 3.21Å; N378-H472 WeakPolarHBondContact O-CB 3.33Å
379R92.6Very high92.2Very high115 Ų11557 Ų5743%0.43430%0.302SS..  trans-58.7145173.9-67.9-173.3-175.1-171.5-0.5111.4E381 V382R379-E381 WeakPolarHBondContact CD-OE1 3.42Å; R379-E381 PolarHBondContact O-N 3.45Å; R379-E381 VanDerWaalsContact O-N 3.14Å; R379-V382 HydrophobicContact CB-CB 4.4Å; R379-V382 HydrophobicContact CB-CG2 3.99Å; R379-V382 PolarHBondContact O-N 3.15Å
380P94.6Very high92.2Very high5 Ų557 Ų573%0.03230%0.302CS..THydrogen-bonded Turntrans-53.9-33.8180-31.639.5000114.9N388 V391 T424 T470P380-N388 WeakPolarHBondContact O-CA 3.29Å; P380-N388 PolarHBondContact O-ND2 2.92Å; P380-V391 HydrophobicContact CB-CG1 4.03Å; P380-V391 HydrophobicContact CB-CG2 4.47Å; P380-T424 WeakPolarHBondContact CB-O 3.33Å; P380-T470 WeakPolarHBondContact CD-O 3.35Å
381E94.9Very high92.3Very high42 Ų4256.9 Ų56.920%0.19630%0.301CS..THydrogen-bonded Turntrans-80.5-11.3177.868.6-85.5-170.700114.4R379 V391 R392 N428R379-E381 WeakPolarHBondContact CD-OE1 3.42Å; R379-E381 PolarHBondContact O-N 3.45Å; R379-E381 VanDerWaalsContact O-N 3.14Å; E381-V391 HydrophobicContact CB-CG1 3.97Å; E381-R392 HydrophobicContact CB-CG 3.71Å; E381-R392 VanDerWaalsContact O-CD 3.22Å; E381-R392 WeakPolarHBondContact O-CD 3.41Å; E381-R392 WeakPolarHBondContact O-CG 3.24Å; E381-N428 PolarHBondContact OE2-ND2 3.22Å
382V93.6Very high92.5Very high80 Ų8059.8 Ų59.849%0.48530%0.304SS..SBendtrans-97.6123.4-177.3178.50000110.5R379 N388R379-V382 HydrophobicContact CB-CB 4.4Å; R379-V382 HydrophobicContact CB-CG2 3.99Å; R379-V382 PolarHBondContact O-N 3.15Å; V382-N388 VanDerWaalsContact O-CG 3.27Å; V382-N388 PolarHBondContact O-ND2 3.42Å
383G92.4Very high92.8Very high37 Ų3757 Ų5738%0.38129%0.286SS..SBendtrans135.5-177.9177.400000113.1N388G383-N388 WeakPolarHBondContact CA-OD1 3.5Å; G383-N388 WeakPolarHBondContact O-CB 3.38Å
384T93.8Very high93.1Very high121 Ų12156.8 Ų56.874%0.74229%0.285SS*.SBendtrans-109.6-0.2-174.355.30000113.7K389T384-K389 WeakPolarHBondContact O-CE 3.42Å
385T95.3Very high93.6Very high71 Ų7153.5 Ų53.544%0.43628%0.278SS..SBendtrans-72.1159.6177.470.90000111.4R387 N388 K389T385-R387 PolarHBondContact O-N 3.41Å; T385-N388 PolarHBondContact N-OD1 3.43Å; T385-N388 PolarHBondContact O-N 2.97Å; T385-N388 VanDerWaalsContact OG1-CG 3.24Å; T385-N388 PolarHBondContact OG1-N 3.45Å; T385-N388 PolarHBondContact OG1-OD1 3.39Å; T385-K389 WeakPolarHBondContact O-CG 3.4Å; T385-K389 PolarHBondContact O-N 3.49Å
386I96.6Very high94.4Very high24 Ų2452.3 Ų52.312%0.12327%0.269CS..Hα-helixtrans-54.9-42.4176-57.8175.1000110.9M330 E331 V369 N388 K389 L390M330-I386 HydrophobicContact CE-CG2 3.72Å; E331-I386 HydrophobicContact CG-CG1 4.32Å; E331-I386 WeakPolarHBondContact OE1-CG1 3.33Å; V369-I386 HydrophobicContact CG1-CG2 4.06Å; V369-I386 HydrophobicContact CG2-CG2 4.11Å; I386-N388 PolarHBondContact O-N 3.28Å; I386-K389 PolarHBondContact O-N 2.96Å; I386-L390 HydrophobicContact CG2-CD1 3.75Å; I386-L390 HydrophobicContact CG2-CG 4.2Å; I386-L390 WeakPolarHBondContact O-CG 3.33Å; I386-L390 PolarHBondContact O-N 3.14Å
387R96.3Very high94.8Very high40 Ų4058 Ų5815%0.15130%0.304CS..Hα-helixtrans-51.2-55.9172.5-175.7-169.271.8-172.33.3111.3V369 L370 T385 K389 L390 V391V369-R387 WeakPolarHBondContact O-CB 3.39Å; L370-R387 HydrophobicContact CD2-CB 4.21Å; L370-R387 HydrophobicContact CD2-CG 3.68Å; T385-R387 PolarHBondContact O-N 3.41Å; R387-K389 VanDerWaalsContact C-N 3.29Å; R387-K389 PolarHBondContact O-N 3.03Å; R387-L390 PolarHBondContact O-N 3.49Å; R387-V391 HydrophobicContact CG-CG2 4.23Å; R387-V391 VanDerWaalsContact O-CG2 3.28Å; R387-V391 WeakPolarHBondContact O-CG2 3.43Å; R387-V391 PolarHBondContact O-N 2.93Å
388N96.3Very high95.1Very high7 Ų752.6 Ų52.64%0.03728%0.283CS..Hα-helixtrans-61.5-41.3-175.6-56.5123.7000111.5P380 V382 G383 T385 I386 R392P380-N388 WeakPolarHBondContact O-CA 3.29Å; P380-N388 PolarHBondContact O-ND2 2.92Å; V382-N388 VanDerWaalsContact O-CG 3.27Å; V382-N388 PolarHBondContact O-ND2 3.42Å; G383-N388 WeakPolarHBondContact CA-OD1 3.5Å; G383-N388 WeakPolarHBondContact O-CB 3.38Å; T385-N388 PolarHBondContact N-OD1 3.43Å; T385-N388 PolarHBondContact O-N 2.97Å; T385-N388 VanDerWaalsContact OG1-CG 3.24Å; T385-N388 PolarHBondContact OG1-N 3.45Å; T385-N388 PolarHBondContact OG1-OD1 3.39Å; I386-N388 PolarHBondContact O-N 3.28Å; N388-R392 WeakPolarHBondContact O-CG 3.29Å; N388-R392 PolarHBondContact O-N 3.03Å; N388-R392 VanDerWaalsContact O-N 3.14Å
389K97.3Very high95.2Very high16 Ų1653 Ų537%0.0728%0.283CS..Hα-helixtrans-59.9-46.8175.9-65.6172.9-178.7175.90111.6E331 I334 D335 T384 T385 I386 R387 R392 L393E331-K389 IonicContact OE1-NZ 3.23Å; E331-K389 PolarHBondContact OE1-NZ 3.27Å; I334-K389 HydrophobicContact CG2-CB 3.78Å; I334-K389 HydrophobicContact CG2-CD 4.2Å; I334-K389 HydrophobicContact CG2-CG 4.31Å; D335-K389 WeakPolarHBondContact OD1-CD 3.42Å; D335-K389 WeakPolarHBondContact OD1-CE 3.46Å; D335-K389 IonicContact OD1-NZ 3.32Å; D335-K389 PolarHBondContact OD1-NZ 3.43Å; D335-K389 IonicContact OD2-NZ 3.07Å; D335-K389 PolarHBondContact OD2-NZ 2.98Å; T384-K389 WeakPolarHBondContact O-CE 3.42Å; T385-K389 WeakPolarHBondContact O-CG 3.4Å; T385-K389 PolarHBondContact O-N 3.49Å; I386-K389 PolarHBondContact O-N 2.96Å; R387-K389 VanDerWaalsContact C-N 3.29Å; R387-K389 PolarHBondContact O-N 3.03Å; K389-R392 PolarHBondContact O-N 3.42Å; K389-L393 PolarHBondContact O-N 3.22Å
390L97.8Very high95.3Very high0 Ų048.9 Ų48.90%028%0.276CS..Hα-helixtrans-69-39.9179.2-71170.2000113M330 I334 L348 V369 I386 R387 R392 L393 M394 F408 L409M330-L390 HydrophobicContact CE-CD1 4.48Å; I334-L390 HydrophobicContact CD1-CD2 3.78Å; I334-L390 HydrophobicContact CD1-CG 4.26Å; L348-L390 HydrophobicContact CD2-CD2 3.89Å; V369-L390 HydrophobicContact CG1-CD1 3.59Å; I386-L390 HydrophobicContact CG2-CD1 3.75Å; I386-L390 HydrophobicContact CG2-CG 4.2Å; I386-L390 WeakPolarHBondContact O-CG 3.33Å; I386-L390 PolarHBondContact O-N 3.14Å; R387-L390 PolarHBondContact O-N 3.49Å; L390-R392 VanDerWaalsContact C-N 3.29Å; L390-R392 PolarHBondContact O-N 3.47Å; L390-L393 HydrophobicContact CD2-CD1 4.43Å; L390-L393 WeakPolarHBondContact O-CA 3.4Å; L390-L393 WeakPolarHBondContact O-CB 3.29Å; L390-L393 PolarHBondContact O-N 3.07Å; L390-M394 PolarHBondContact O-N 3.26Å; L390-F408 HydrophobicContact CD1-CD1 3.88Å; L390-F408 HydrophobicContact CD1-CE1 3.74Å; L390-F408 HydrophobicContact CD2-CD1 4.43Å; L390-L409 HydrophobicContact CB-CD1 4.06Å; L390-L409 HydrophobicContact CB-CD2 4.25Å; L390-L409 HydrophobicContact CB-CG 4.36Å; L390-L409 HydrophobicContact CD1-CD2 3.86Å
391V97.5Very high95.3Very high0 Ų048.7 Ų48.70%028%0.275CS..Hα-helixtrans-62.1-38.61771770000110.8P380 E381 R387 L393 M394 L409 T424 N428P380-V391 HydrophobicContact CB-CG1 4.03Å; P380-V391 HydrophobicContact CB-CG2 4.47Å; E381-V391 HydrophobicContact CB-CG1 3.97Å; R387-V391 HydrophobicContact CG-CG2 4.23Å; R387-V391 VanDerWaalsContact O-CG2 3.28Å; R387-V391 WeakPolarHBondContact O-CG2 3.43Å; R387-V391 PolarHBondContact O-N 2.93Å; V391-L393 PolarHBondContact O-N 3.4Å; V391-M394 HydrophobicContact CG1-SD 4.47Å; V391-M394 HydrophobicContact CG2-SD 4.48Å; V391-M394 VanDerWaalsContact O-CB 3.32Å; V391-M394 WeakPolarHBondContact O-CB 3.35Å; V391-M394 PolarHBondContact O-N 3.17Å; V391-M394 VanDerWaalsContact O-N 3.08Å; V391-L409 HydrophobicContact CG2-CD1 4.03Å; V391-T424 HydrophobicContact CG2-CG2 4.01Å; V391-N428 HydrophobicContact CG1-CB 3.87Å; V391-N428 VanDerWaalsContact CG1-ND2 3.32Å; V391-N428 WeakPolarHBondContact CG1-ND2 3.34Å
392R96.8Very high95.3Very high123 Ų12349.1 Ų49.146%0.46428%0.276SS..Hα-helixtrans-59.2-33.6171.4-75.2-176.9-68.3141.6-4.5113E381 N388 K389 L390 M394 T395E381-R392 HydrophobicContact CB-CG 3.71Å; E381-R392 VanDerWaalsContact O-CD 3.22Å; E381-R392 WeakPolarHBondContact O-CD 3.41Å; E381-R392 WeakPolarHBondContact O-CG 3.24Å; N388-R392 WeakPolarHBondContact O-CG 3.29Å; N388-R392 PolarHBondContact O-N 3.03Å; N388-R392 VanDerWaalsContact O-N 3.14Å; K389-R392 PolarHBondContact O-N 3.42Å; L390-R392 VanDerWaalsContact C-N 3.29Å; L390-R392 PolarHBondContact O-N 3.47Å; R392-M394 VanDerWaalsContact C-N 3.3Å; R392-M394 PolarHBondContact O-N 2.85Å; R392-T395 PolarHBondContact O-N 3.37Å; R392-T395 PolarHBondContact O-OG1 3.2Å
393L97.1Very high95.4Very high8 Ų849.9 Ų49.94%0.04227%0.274CS..Hα-helixtrans-72.9-21.8178-64.8175.4000112.8I334 Y340 L344 K389 L390 V391 T395 H396 V401 K402 A405I334-L393 HydrophobicContact CG1-CD1 4.22Å; I334-L393 HydrophobicContact CG2-CD1 4.37Å; Y340-L393 HydrophobicContact CD2-CD2 4.32Å; Y340-L393 HydrophobicContact CE1-CD2 4.39Å; Y340-L393 HydrophobicContact CE2-CD2 4.02Å; L344-L393 HydrophobicContact CD2-CD1 3.55Å; K389-L393 PolarHBondContact O-N 3.22Å; L390-L393 HydrophobicContact CD2-CD1 4.43Å; L390-L393 WeakPolarHBondContact O-CA 3.4Å; L390-L393 WeakPolarHBondContact O-CB 3.29Å; L390-L393 PolarHBondContact O-N 3.07Å; V391-L393 PolarHBondContact O-N 3.4Å; L393-T395 PolarHBondContact O-N 3.42Å; L393-T395 VanDerWaalsContact O-N 3.12Å; L393-H396 WeakPolarHBondContact O-CB 3.27Å; L393-H396 PolarHBondContact O-N 2.87Å; L393-V401 HydrophobicContact CB-CG1 4.44Å; L393-V401 HydrophobicContact CD2-CG1 4.11Å; L393-K402 WeakPolarHBondContact O-CA 3.43Å; L393-A405 HydrophobicContact CB-CB 3.7Å
394M96.6Very high95.6Very high5 Ų549.3 Ų49.33%0.02526%0.263CS..THydrogen-bonded Turntrans-65.3-11174.9-59.3178.373.500113.7L390 V391 R392 K402 A406 L409 T424 N428 A429L390-M394 PolarHBondContact O-N 3.26Å; V391-M394 HydrophobicContact CG1-SD 4.47Å; V391-M394 HydrophobicContact CG2-SD 4.48Å; V391-M394 VanDerWaalsContact O-CB 3.32Å; V391-M394 WeakPolarHBondContact O-CB 3.35Å; V391-M394 PolarHBondContact O-N 3.17Å; V391-M394 VanDerWaalsContact O-N 3.08Å; R392-M394 VanDerWaalsContact C-N 3.3Å; R392-M394 PolarHBondContact O-N 2.85Å; M394-K402 WeakPolarHBondContact O-CD 3.05Å; M394-K402 WeakPolarHBondContact O-CG 3.28Å; M394-A406 HydrophobicContact CE-CB 3.68Å; M394-A406 HydrophobicContact CG-CB 4.02Å; M394-L409 HydrophobicContact CG-CD1 4.34Å; M394-L409 HydrophobicContact SD-CD1 3.7Å; M394-T424 HydrophobicContact CE-CG2 4.32Å; M394-T424 HydrophobicContact SD-CG2 3.82Å; M394-N428 HydrophobicContact SD-CB 4.42Å; M394-A429 HydrophobicContact CE-CB 4.22Å
395T94.5Very high95.8Very high84 Ų8443.6 Ų43.652%0.51523%0.228SC..THydrogen-bonded Turntrans-120.716.9174.9560000112.1R392 L393R392-T395 PolarHBondContact O-N 3.37Å; R392-T395 PolarHBondContact O-OG1 3.2Å; L393-T395 PolarHBondContact O-N 3.42Å; L393-T395 VanDerWaalsContact O-N 3.12Å
396H95.3Very high95.9Very high53 Ų5340.3 Ų40.325%0.24521%0.209CC..  trans-63.7150.2176.5-171.5-95.7000112.1Y340 L393 D398 V401Y340-H396 AromaticContact CD2-NE2 3.7Å; L393-H396 WeakPolarHBondContact O-CB 3.27Å; L393-H396 PolarHBondContact O-N 2.87Å; H396-D398 VanDerWaalsContact C-N 3.35Å; H396-D398 WeakPolarHBondContact ND1-CB 3.46Å; H396-D398 PolarHBondContact ND1-N 3.46Å; H396-D398 PolarHBondContact O-N 2.94Å; H396-V401 HydrophobicContact CB-CG1 4.25Å
397V93.6Very high95.9Very high136 Ų13640.3 Ų40.382%0.82421%0.208SC*.SBendtrans-66.7-34-177.4-63.30000113.2M399V397-M399 PolarHBondContact O-N 3.38Å
398D94.8Very high96Very high47 Ų4738.4 Ų38.425%0.25120%0.201SC..SBendtrans-76.9119.5174-174.6-79000110.4H396 G400 V401 K402H396-D398 VanDerWaalsContact C-N 3.35Å; H396-D398 WeakPolarHBondContact ND1-CB 3.46Å; H396-D398 PolarHBondContact ND1-N 3.46Å; H396-D398 PolarHBondContact O-N 2.94Å; D398-G400 VanDerWaalsContact C-N 3.31Å; D398-G400 PolarHBondContact O-N 2.74Å; D398-G400 WeakPolarHBondContact OD1-CA 3.44Å; D398-G400 PolarHBondContact OD1-N 3.18Å; D398-V401 HydrophobicContact CB-CB 4.22Å; D398-V401 HydrophobicContact CB-CG2 4.01Å; D398-V401 PolarHBondContact O-N 2.91Å; D398-V401 PolarHBondContact OD1-N 3.31Å; D398-K402 WeakPolarHBondContact O-CB 3.41Å; D398-K402 PolarHBondContact O-N 2.9Å
399M92.2Very high96.1Very high100 Ų10038.1 Ų38.149%0.49320%0.199SC..Hα-helixtrans-61.4-36.3-177.8-70.1-62.6-63.700113.2V397 K402 Q403V397-M399 PolarHBondContact O-N 3.38Å; M399-K402 WeakPolarHBondContact SD-CE 3.21Å; M399-K402 PolarHBondContact SD-NZ 3.5Å; M399-Q403 WeakPolarHBondContact O-CB 3.35Å; M399-Q403 VanDerWaalsContact O-CG 3.23Å; M399-Q403 WeakPolarHBondContact O-CG 3.39Å; M399-Q403 PolarHBondContact O-N 3.41Å
400G93.4Very high96.1Very high27 Ų2737.4 Ų37.428%0.27820%0.196SC..Hα-helixtrans-68.6-45.4-179.600000111.4D398 Q403 T404D398-G400 VanDerWaalsContact C-N 3.31Å; D398-G400 PolarHBondContact O-N 2.74Å; D398-G400 WeakPolarHBondContact OD1-CA 3.44Å; D398-G400 PolarHBondContact OD1-N 3.18Å; G400-Q403 PolarHBondContact O-N 3.16Å; G400-T404 WeakPolarHBondContact O-CB 3.4Å; G400-T404 PolarHBondContact O-N 3.09Å; G400-T404 PolarHBondContact O-OG1 2.86Å
401V95.9Very high96.1Very high2 Ų237.4 Ų37.41%0.01220%0.196CC..Hα-helixtrans-60.6-47.5174.7177.50000110.7Y340 K341 T345 L393 H396 D398 T404 A405Y340-V401 HydrophobicContact CG-CG1 4.42Å; K341-V401 HydrophobicContact CB-CG2 4.35Å; T345-V401 HydrophobicContact CG2-CG2 4.22Å; L393-V401 HydrophobicContact CB-CG1 4.44Å; L393-V401 HydrophobicContact CD2-CG1 4.11Å; H396-V401 HydrophobicContact CB-CG1 4.25Å; D398-V401 HydrophobicContact CB-CB 4.22Å; D398-V401 HydrophobicContact CB-CG2 4.01Å; D398-V401 PolarHBondContact O-N 2.91Å; D398-V401 PolarHBondContact OD1-N 3.31Å; V401-T404 PolarHBondContact O-N 3.41Å; V401-A405 WeakPolarHBondContact O-CB 3.44Å; V401-A405 PolarHBondContact O-N 2.96Å
402K95.2Very high96Very high50 Ų5037.4 Ų37.422%0.21720%0.196CC..Hα-helixtrans-56.4-52.7178.3173.4171.576.4-177.20112.5L393 M394 D398 M399 A406L393-K402 WeakPolarHBondContact O-CA 3.43Å; M394-K402 WeakPolarHBondContact O-CD 3.05Å; M394-K402 WeakPolarHBondContact O-CG 3.28Å; D398-K402 WeakPolarHBondContact O-CB 3.41Å; D398-K402 PolarHBondContact O-N 2.9Å; M399-K402 WeakPolarHBondContact SD-CE 3.21Å; M399-K402 PolarHBondContact SD-NZ 3.5Å; K402-A406 WeakPolarHBondContact O-CB 3.46Å; K402-A406 PolarHBondContact O-N 3.36Å
403Q95.1Very high96Very high97 Ų9731.5 Ų31.545%0.45317%0.174SC..Hα-helixtrans-63.9-43.9-178-75.4172.4-14.800111.1M399 G400 A406 E407M399-Q403 WeakPolarHBondContact O-CB 3.35Å; M399-Q403 VanDerWaalsContact O-CG 3.23Å; M399-Q403 WeakPolarHBondContact O-CG 3.39Å; M399-Q403 PolarHBondContact O-N 3.41Å; G400-Q403 PolarHBondContact O-N 3.16Å; Q403-A406 PolarHBondContact O-N 3.24Å; Q403-E407 WeakPolarHBondContact O-CB 3.48Å; Q403-E407 PolarHBondContact O-N 3.41Å
404T96.4Very high95.9Very high25 Ų2532 Ų3215%0.15318%0.176CC..Hα-helixtrans-65.5-42.9-178.1-47.80000111.7L348 G400 V401 F408L348-T404 HydrophobicContact CB-CG2 3.54Å; L348-T404 HydrophobicContact CD1-CG2 4.15Å; G400-T404 WeakPolarHBondContact O-CB 3.4Å; G400-T404 PolarHBondContact O-N 3.09Å; G400-T404 PolarHBondContact O-OG1 2.86Å; V401-T404 PolarHBondContact O-N 3.41Å; T404-F408 WeakPolarHBondContact O-CB 3.47Å; T404-F408 PolarHBondContact O-N 3.33Å
405A97.7Very high95.8Very high0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-65.8-43.4177.500000112.2L348 L393 V401 F408 L409L348-A405 HydrophobicContact CD1-CB 4.43Å; L393-A405 HydrophobicContact CB-CB 3.7Å; V401-A405 WeakPolarHBondContact O-CB 3.44Å; V401-A405 PolarHBondContact O-N 2.96Å; A405-F408 PolarHBondContact O-N 3.16Å; A405-L409 PolarHBondContact O-N 2.91Å
406A97.4Very high95.8Very high3 Ų328.4 Ų28.43%0.02515%0.154CC..Hα-helixtrans-65.8-42.2178.100000111.9M394 K402 Q403 L409 F410 L432M394-A406 HydrophobicContact CE-CB 3.68Å; M394-A406 HydrophobicContact CG-CB 4.02Å; K402-A406 WeakPolarHBondContact O-CB 3.46Å; K402-A406 PolarHBondContact O-N 3.36Å; Q403-A406 PolarHBondContact O-N 3.24Å; A406-L409 PolarHBondContact O-N 2.83Å; A406-F410 WeakPolarHBondContact O-CB 3.34Å; A406-F410 PolarHBondContact O-N 2.88Å; A406-L432 HydrophobicContact CB-CB 3.94Å; A406-L432 HydrophobicContact CB-CD1 3.95Å; A406-L432 HydrophobicContact CB-CD2 4.1Å; A406-L432 HydrophobicContact CB-CG 4.21Å
407E96.9Very high95.8Very high23 Ų2326 Ų2611%0.10714%0.143CC..Hα-helixtrans-62.6-43.2177.5-175.162.1-172.500112T352 R356 Q403 L409 F410 V411 R436T352-E407 HydrophobicContact CG2-CG 4.02Å; R356-E407 IonicContact NH2-OE1 2.88Å; R356-E407 PolarHBondContact NH2-OE1 2.69Å; Q403-E407 WeakPolarHBondContact O-CB 3.48Å; Q403-E407 PolarHBondContact O-N 3.41Å; E407-L409 PolarHBondContact O-N 3.35Å; E407-F410 PolarHBondContact O-N 3.21Å; E407-V411 WeakPolarHBondContact O-CG2 3.31Å; E407-V411 PolarHBondContact O-N 3.08Å; E407-R436 IonicContact OE1-CZ 2.99Å; E407-R436 VanDerWaalsContact OE1-CZ 3.32Å; E407-R436 IonicContact OE1-NH1 3.65Å; E407-R436 PolarHBondContact OE1-NH1 3.39Å; E407-R436 IonicContact OE1-NH2 2.93Å; E407-R436 PolarHBondContact OE1-NH2 3.26Å; E407-R436 IonicContact OE2-CZ 2.99Å; E407-R436 IonicContact OE2-NH1 2.85Å; E407-R436 PolarHBondContact OE2-NH1 3.29Å; E407-R436 IonicContact OE2-NH2 3.77Å; E407-R436 PolarHBondContact OE2-NH2 3.47Å
408F98.2Very high95.7Very high0 Ų025.2 Ų25.20%013%0.134CC..Hα-helixtrans-56.9-50.8176.8176.6-125.5000111.5M330 L348 L351 T352 I365 V369 L390 T404 A405 F410 V411 L412M330-F408 HydrophobicContact CE-CE1 4.38Å; M330-F408 HydrophobicContact SD-CE1 3.95Å; M330-F408 HydrophobicContact SD-CZ 4.36Å; L348-F408 HydrophobicContact CD2-CB 4.19Å; L348-F408 HydrophobicContact CD2-CD1 3.58Å; L348-F408 HydrophobicContact CD2-CE1 4.08Å; L348-F408 HydrophobicContact CD2-CG 3.94Å; L351-F408 HydrophobicContact CB-CD2 4.33Å; L351-F408 HydrophobicContact CB-CE2 3.66Å; L351-F408 HydrophobicContact CB-CZ 4.22Å; L351-F408 HydrophobicContact CD1-CZ 4.38Å; T352-F408 WeakPolarHBondContact OG1-CA 3.12Å; T352-F408 WeakPolarHBondContact OG1-CB 3.25Å; T352-F408 WeakPolarHBondContact OG1-CD2 3.35Å; I365-F408 HydrophobicContact CG2-CE2 4.04Å; I365-F408 HydrophobicContact CG2-CZ 3.6Å; V369-F408 HydrophobicContact CG2-CE1 4.47Å; V369-F408 HydrophobicContact CG2-CZ 4.5Å; L390-F408 HydrophobicContact CD1-CD1 3.88Å; L390-F408 HydrophobicContact CD1-CE1 3.74Å; L390-F408 HydrophobicContact CD2-CD1 4.43Å; T404-F408 WeakPolarHBondContact O-CB 3.47Å; T404-F408 PolarHBondContact O-N 3.33Å; A405-F408 PolarHBondContact O-N 3.16Å; F408-F410 VanDerWaalsContact C-N 3.3Å; F408-F410 PolarHBondContact O-N 3.09Å; F408-V411 PolarHBondContact O-N 2.64Å; F408-L412 HydrophobicContact CD1-CD1 4.47Å; F408-L412 HydrophobicContact CD2-CG 4.47Å; F408-L412 HydrophobicContact CE1-CD1 4.01Å; F408-L412 HydrophobicContact CE2-CD1 4.08Å; F408-L412 HydrophobicContact CE2-CD2 4.25Å; F408-L412 HydrophobicContact CE2-CG 4.2Å; F408-L412 HydrophobicContact CZ-CD1 3.82Å; F408-L412 HydrophobicContact CZ-CG 4.44Å; F408-L412 WeakPolarHBondContact O-CG 3.42Å; F408-L412 PolarHBondContact O-N 3.04Å; F408-L412 VanDerWaalsContact O-N 3.11Å
409L98.1Very high95.6Very high1 Ų124.1 Ų24.11%0.00513%0.128CC..Hα-helixtrans-62.6-37.6177.6-67.3-179.4000112.2V369 L370 L390 V391 M394 A405 A406 E407 L412 C413 L420 T424V369-L409 HydrophobicContact CG1-CD2 4.08Å; L370-L409 HydrophobicContact CD1-CD2 4.31Å; L370-L409 HydrophobicContact CD2-CD2 4.07Å; L370-L409 HydrophobicContact CG-CD2 4.36Å; L390-L409 HydrophobicContact CB-CD1 4.06Å; L390-L409 HydrophobicContact CB-CD2 4.25Å; L390-L409 HydrophobicContact CB-CG 4.36Å; L390-L409 HydrophobicContact CD1-CD2 3.86Å; V391-L409 HydrophobicContact CG2-CD1 4.03Å; M394-L409 HydrophobicContact CG-CD1 4.34Å; M394-L409 HydrophobicContact SD-CD1 3.7Å; A405-L409 PolarHBondContact O-N 2.91Å; A406-L409 PolarHBondContact O-N 2.83Å; E407-L409 PolarHBondContact O-N 3.35Å; L409-L412 PolarHBondContact O-N 3.43Å; L409-C413 PolarHBondContact O-N 3.24Å; L409-C413 PolarHBondContact O-SG 3.44Å; L409-L420 HydrophobicContact CB-CD1 3.93Å; L409-T424 HydrophobicContact CD1-CG2 4.05Å
410F97.7Very high95.7Very high1 Ų119.4 Ų19.40%0.00411%0.105CC..Hα-helixtrans-64.4-43.6178.4-171-130.2000112.3A406 E407 F408 L412 C413 K414 E415 V417 L420 L432 L438A406-F410 WeakPolarHBondContact O-CB 3.34Å; A406-F410 PolarHBondContact O-N 2.88Å; E407-F410 PolarHBondContact O-N 3.21Å; F408-F410 VanDerWaalsContact C-N 3.3Å; F408-F410 PolarHBondContact O-N 3.09Å; F410-L412 PolarHBondContact O-N 3.36Å; F410-C413 CarbonylContact O-C 3.46Å; F410-C413 WeakPolarHBondContact O-CA 3.38Å; F410-C413 WeakPolarHBondContact O-CB 3.5Å; F410-C413 PolarHBondContact O-N 3.13Å; F410-C413 VanDerWaalsContact O-N 3.08Å; F410-K414 PolarHBondContact O-N 2.93Å; F410-E415 HydrophobicContact CD1-CB 3.98Å; F410-E415 HydrophobicContact CD1-CG 3.82Å; F410-E415 HydrophobicContact CE1-CB 3.51Å; F410-E415 HydrophobicContact CE1-CG 3.79Å; F410-E415 VanDerWaalsContact CE2-CA 3.45Å; F410-E415 HydrophobicContact CE2-CB 4.22Å; F410-E415 WeakPolarHBondContact CE2-O 3.43Å; F410-E415 HydrophobicContact CG-CB 4.49Å; F410-E415 HydrophobicContact CG-CG 4.44Å; F410-E415 VanDerWaalsContact CZ-CA 3.42Å; F410-E415 HydrophobicContact CZ-CB 3.67Å; F410-E415 HydrophobicContact CZ-CG 4.42Å; F410-E415 WeakPolarHBondContact CZ-O 3.46Å; F410-E415 WeakPolarHBondContact O-CA 3.47Å; F410-E415 PolarHBondContact O-N 3.37Å; F410-V417 HydrophobicContact CE2-CG2 4.47Å; F410-L420 HydrophobicContact CB-CD1 4.48Å; F410-L420 HydrophobicContact CB-CD2 4.36Å; F410-L420 HydrophobicContact CD2-CB 4.14Å; F410-L420 HydrophobicContact CD2-CD2 3.77Å; F410-L420 HydrophobicContact CD2-CG 4.41Å; F410-L420 HydrophobicContact CE2-CD2 4.5Å; F410-L420 HydrophobicContact CG-CD2 4.4Å; F410-L432 HydrophobicContact CB-CD2 3.65Å; F410-L432 HydrophobicContact CD1-CD2 4.18Å; F410-L432 HydrophobicContact CD2-CD2 4.33Å; F410-L432 HydrophobicContact CG-CD2 3.82Å; F410-L438 HydrophobicContact CE1-CD1 4.02Å; F410-L438 HydrophobicContact CE2-CD1 4.49Å; F410-L438 HydrophobicContact CZ-CD1 3.53Å
411V97.1Very high95.8Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-63.6-40.5174.8170.50000111.8T352 R356 R362 E407 F408 C413 K414 E415T352-V411 HydrophobicContact CG2-CB 4.13Å; T352-V411 HydrophobicContact CG2-CG2 3.68Å; R356-V411 HydrophobicContact CB-CG1 4.32Å; R356-V411 VanDerWaalsContact NH2-CG2 3.35Å; R362-V411 WeakPolarHBondContact CD-O 3.49Å; E407-V411 WeakPolarHBondContact O-CG2 3.31Å; E407-V411 PolarHBondContact O-N 3.08Å; F408-V411 PolarHBondContact O-N 2.64Å; V411-C413 PolarHBondContact O-N 3.42Å; V411-K414 WeakPolarHBondContact O-CA 3.2Å; V411-K414 PolarHBondContact O-N 3.3Å; V411-E415 HydrophobicContact CG2-CG 4.31Å
412L96.7Very high95.6Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-62.1-30.2173.7-63.8-178.1000112.3R362 I365 K366 V369 L370 F408 L409 F410 K414R362-L412 HydrophobicContact CG-CD2 4.2Å; I365-L412 HydrophobicContact CB-CD2 3.94Å; I365-L412 HydrophobicContact CG2-CD1 3.74Å; I365-L412 HydrophobicContact CG2-CD2 3.55Å; I365-L412 HydrophobicContact CG2-CG 4.28Å; K366-L412 WeakPolarHBondContact CD-O 3.32Å; V369-L412 HydrophobicContact CB-CD1 4.05Å; V369-L412 HydrophobicContact CG1-CD1 4.07Å; V369-L412 HydrophobicContact CG2-CD1 4.46Å; L370-L412 HydrophobicContact CD1-CB 3.94Å; L370-L412 HydrophobicContact CD1-CD1 4.35Å; F408-L412 HydrophobicContact CD1-CD1 4.47Å; F408-L412 HydrophobicContact CD2-CG 4.47Å; F408-L412 HydrophobicContact CE1-CD1 4.01Å; F408-L412 HydrophobicContact CE2-CD1 4.08Å; F408-L412 HydrophobicContact CE2-CD2 4.25Å; F408-L412 HydrophobicContact CE2-CG 4.2Å; F408-L412 HydrophobicContact CZ-CD1 3.82Å; F408-L412 HydrophobicContact CZ-CG 4.44Å; F408-L412 WeakPolarHBondContact O-CG 3.42Å; F408-L412 PolarHBondContact O-N 3.04Å; F408-L412 VanDerWaalsContact O-N 3.11Å; L409-L412 PolarHBondContact O-N 3.43Å; F410-L412 PolarHBondContact O-N 3.36Å; L412-K414 PolarHBondContact O-N 2.87Å
413C95.7Very high95.5Very high0 Ų018.7 Ų18.70%010%0.096CC..THydrogen-bonded Turntrans-83.814.7172.2-710000113.9L409 F410 V411 E415 S416 N419 L420L409-C413 PolarHBondContact O-N 3.24Å; L409-C413 PolarHBondContact O-SG 3.44Å; F410-C413 CarbonylContact O-C 3.46Å; F410-C413 WeakPolarHBondContact O-CA 3.38Å; F410-C413 WeakPolarHBondContact O-CB 3.5Å; F410-C413 PolarHBondContact O-N 3.13Å; F410-C413 VanDerWaalsContact O-N 3.08Å; V411-C413 PolarHBondContact O-N 3.42Å; C413-E415 PolarHBondContact O-N 2.85Å; C413-S416 WeakPolarHBondContact O-CB 3.46Å; C413-S416 PolarHBondContact O-N 3.06Å; C413-S416 VanDerWaalsContact O-N 3.13Å; C413-N419 HydrophobicContact CB-CB 3.82Å; C413-L420 HydrophobicContact CB-CB 4.35Å
414K95Very high95.6Very high18 Ų1814.1 Ų14.18%0.0787%0.074CC..THydrogen-bonded Turntrans54.735.7-178.1-58.6171.7175.1-175.70112.9F410 V411 L412 S416 R443 Y448 S449 E450 D451F410-K414 PolarHBondContact O-N 2.93Å; V411-K414 WeakPolarHBondContact O-CA 3.2Å; V411-K414 PolarHBondContact O-N 3.3Å; L412-K414 PolarHBondContact O-N 2.87Å; K414-S416 PolarHBondContact O-N 2.97Å; K414-R443 PolarHBondContact O-NH1 3Å; K414-Y448 VanDerWaalsContact C-CE2 3.48Å; K414-Y448 HydrophobicContact CB-CD1 4.08Å; K414-Y448 HydrophobicContact CB-CD2 3.84Å; K414-Y448 HydrophobicContact CB-CE2 4.36Å; K414-Y448 HydrophobicContact CB-CG 3.68Å; K414-Y448 HydrophobicContact CG-CD1 4.08Å; K414-Y448 HydrophobicContact CG-CG 4.05Å; K414-Y448 VanDerWaalsContact O-CD2 3.26Å; K414-Y448 WeakPolarHBondContact O-CD2 3.43Å; K414-S449 PolarHBondContact NZ-O 2.88Å; K414-E450 PolarHBondContact NZ-O 3.22Å; K414-D451 WeakPolarHBondContact CD-OD1 3.45Å; K414-D451 IonicContact NZ-OD1 3.43Å; K414-D451 PolarHBondContact NZ-OD1 3.28Å
415E94.9Very high95.5Very high5 Ų513 Ų132%0.0237%0.067CC..THydrogen-bonded Turntrans54.127.6-178.1-59.6176.4-143.800113R356 F410 V411 C413 R443 G444 T446 Y448R356-E415 IonicContact NE-OE1 3.56Å; F410-E415 HydrophobicContact CD1-CB 3.98Å; F410-E415 HydrophobicContact CD1-CG 3.82Å; F410-E415 HydrophobicContact CE1-CB 3.51Å; F410-E415 HydrophobicContact CE1-CG 3.79Å; F410-E415 VanDerWaalsContact CE2-CA 3.45Å; F410-E415 HydrophobicContact CE2-CB 4.22Å; F410-E415 WeakPolarHBondContact CE2-O 3.43Å; F410-E415 HydrophobicContact CG-CB 4.49Å; F410-E415 HydrophobicContact CG-CG 4.44Å; F410-E415 VanDerWaalsContact CZ-CA 3.42Å; F410-E415 HydrophobicContact CZ-CB 3.67Å; F410-E415 HydrophobicContact CZ-CG 4.42Å; F410-E415 WeakPolarHBondContact CZ-O 3.46Å; F410-E415 WeakPolarHBondContact O-CA 3.47Å; F410-E415 PolarHBondContact O-N 3.37Å; V411-E415 HydrophobicContact CG2-CG 4.31Å; C413-E415 PolarHBondContact O-N 2.85Å; E415-R443 CarbonylContact O-C 3.08Å; E415-R443 WeakPolarHBondContact O-CA 3.48Å; E415-R443 VanDerWaalsContact O-CG 3.28Å; E415-R443 WeakPolarHBondContact O-CG 3.46Å; E415-G444 PolarHBondContact O-N 3.33Å; E415-G444 WeakPolarHBondContact OE2-CA 3.46Å; E415-T446 VanDerWaalsContact OE1-CB 3.27Å; E415-T446 WeakPolarHBondContact OE1-CB 3.28Å; E415-T446 PolarHBondContact OE1-OG1 2.88Å; E415-T446 PolarHBondContact OE2-OG1 2.94Å; E415-Y448 HydrophobicContact CB-CE2 3.92Å; E415-Y448 HydrophobicContact CG-CE2 3.71Å; E415-Y448 PolarHBondContact OE1-OH 3.22Å
416S94.9Very high95.3Very high8 Ų816.6 Ų16.66%0.0568%0.081CC..BIsolated β-bridgetrans-92126.7174.2161.90000110.2C413 K414 N419 L420C413-S416 WeakPolarHBondContact O-CB 3.46Å; C413-S416 PolarHBondContact O-N 3.06Å; C413-S416 VanDerWaalsContact O-N 3.13Å; K414-S416 PolarHBondContact O-N 2.97Å; S416-N419 WeakPolarHBondContact CB-ND2 3.36Å; S416-N419 PolarHBondContact O-N 3.23Å; S416-N419 PolarHBondContact OG-N 2.94Å; S416-N419 PolarHBondContact OG-ND2 3.41Å; S416-L420 WeakPolarHBondContact O-CB 3.48Å; S416-L420 PolarHBondContact O-N 3.34Å
417V93.9Very high95.1Very high4 Ų418.4 Ų18.42%0.02410%0.1CC..Hα-helixtrans-60.5-48.3178.4176.60000110.2F410 N419 L420 L421 L433 L438 G442F410-V417 HydrophobicContact CE2-CG2 4.47Å; V417-N419 VanDerWaalsContact C-N 3.33Å; V417-N419 PolarHBondContact O-N 3.49Å; V417-L420 WeakPolarHBondContact O-CB 3.4Å; V417-L420 PolarHBondContact O-N 3.13Å; V417-L420 VanDerWaalsContact O-N 3.11Å; V417-L421 HydrophobicContact CG1-CD1 3.86Å; V417-L421 HydrophobicContact CG1-CG 4.02Å; V417-L421 VanDerWaalsContact O-CG 3.28Å; V417-L421 WeakPolarHBondContact O-CG 3.3Å; V417-L421 PolarHBondContact O-N 3.42Å; V417-L433 HydrophobicContact CB-CD2 4.41Å; V417-L433 HydrophobicContact CG1-CD1 4.05Å; V417-L433 HydrophobicContact CG1-CD2 3.94Å; V417-L433 HydrophobicContact CG2-CD2 3.76Å; V417-L438 HydrophobicContact CG2-CB 3.93Å; V417-L438 HydrophobicContact CG2-CD1 4.27Å; V417-G442 WeakPolarHBondContact CG2-O 3.37Å; V417-G442 PolarHBondContact N-O 3.4Å; V417-G442 VanDerWaalsContact N-O 3.09Å
418D92.3Very high95.1Very high118 Ų11818.1 Ų18.163%0.63110%0.1SC*.Hα-helixtrans-60.2-43.1-178.3-63.6-30.1000112.3L421 K422D418-L421 PolarHBondContact O-N 3.2Å; D418-K422 PolarHBondContact O-N 3.14Å
419N92.9Very high94.9Very high25 Ų2518.1 Ų18.113%0.13410%0.1CC..Hα-helixtrans-65.7-39.8177-74.2-31.2000111.5C413 S416 V417 Y423 D451C413-N419 HydrophobicContact CB-CB 3.82Å; S416-N419 WeakPolarHBondContact CB-ND2 3.36Å; S416-N419 PolarHBondContact O-N 3.23Å; S416-N419 PolarHBondContact OG-N 2.94Å; S416-N419 PolarHBondContact OG-ND2 3.41Å; V417-N419 VanDerWaalsContact C-N 3.33Å; V417-N419 PolarHBondContact O-N 3.49Å; N419-Y423 VanDerWaalsContact O-CD2 3.22Å; N419-Y423 WeakPolarHBondContact O-CD2 3.43Å; N419-D451 PolarHBondContact ND2-OD2 3.46Å
420L95.1Very high94.7Very high0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-62.8-51.1175.4-178.368.4000110.9L409 F410 C413 S416 V417 K422 Y423 T424 A429 L432L409-L420 HydrophobicContact CB-CD1 3.93Å; F410-L420 HydrophobicContact CB-CD1 4.48Å; F410-L420 HydrophobicContact CB-CD2 4.36Å; F410-L420 HydrophobicContact CD2-CB 4.14Å; F410-L420 HydrophobicContact CD2-CD2 3.77Å; F410-L420 HydrophobicContact CD2-CG 4.41Å; F410-L420 HydrophobicContact CE2-CD2 4.5Å; F410-L420 HydrophobicContact CG-CD2 4.4Å; C413-L420 HydrophobicContact CB-CB 4.35Å; S416-L420 WeakPolarHBondContact O-CB 3.48Å; S416-L420 PolarHBondContact O-N 3.34Å; V417-L420 WeakPolarHBondContact O-CB 3.4Å; V417-L420 PolarHBondContact O-N 3.13Å; V417-L420 VanDerWaalsContact O-N 3.11Å; L420-K422 PolarHBondContact O-N 3.49Å; L420-Y423 PolarHBondContact O-N 3.28Å; L420-T424 HydrophobicContact CD1-CG2 3.62Å; L420-T424 HydrophobicContact CG-CG2 4.17Å; L420-T424 PolarHBondContact O-N 2.79Å; L420-T424 PolarHBondContact O-OG1 3.44Å; L420-T424 VanDerWaalsContact O-OG1 3.1Å; L420-A429 HydrophobicContact CD2-CB 3.91Å; L420-A429 HydrophobicContact CG-CB 4.34Å; L420-L432 HydrophobicContact CD2-CD2 3.83Å
421L94.3Very high94.4Very high39 Ų3921 Ų2120%0.20413%0.128CC..Hα-helixtrans-57.4-37.6-178.4-68.1-174.4000112.4V417 D418 Y423 T424 G425 Y426 A429 L433V417-L421 HydrophobicContact CG1-CD1 3.86Å; V417-L421 HydrophobicContact CG1-CG 4.02Å; V417-L421 VanDerWaalsContact O-CG 3.28Å; V417-L421 WeakPolarHBondContact O-CG 3.3Å; V417-L421 PolarHBondContact O-N 3.42Å; D418-L421 PolarHBondContact O-N 3.2Å; L421-Y423 VanDerWaalsContact C-N 3.25Å; L421-Y423 PolarHBondContact O-N 3.37Å; L421-T424 PolarHBondContact O-N 3.34Å; L421-G425 WeakPolarHBondContact O-CA 3.42Å; L421-G425 PolarHBondContact O-N 2.95Å; L421-Y426 HydrophobicContact CD1-CD2 4.02Å; L421-Y426 VanDerWaalsContact CD2-CA 3.45Å; L421-Y426 HydrophobicContact CD2-CD2 3.81Å; L421-Y426 HydrophobicContact CD2-CG 4.23Å; L421-A429 HydrophobicContact CD2-CB 3.82Å; L421-L433 HydrophobicContact CD2-CD1 4.22Å
422K91.9Very high94.2Very high22 Ų2221.8 Ų21.810%0.09613%0.132CC..Hα-helixtrans-53-41.9173.3173.7168.7100.9-1770112.6L373 D418 L420 S454 D455 Y459L373-K422 HydrophobicContact CD1-CD 4.26Å; L373-K422 HydrophobicContact CD1-CG 3.55Å; L373-K422 WeakPolarHBondContact CD1-O 3.26Å; D418-K422 PolarHBondContact O-N 3.14Å; L420-K422 PolarHBondContact O-N 3.49Å; K422-S454 PolarHBondContact NZ-OG 3.21Å; K422-D455 IonicContact NZ-OD1 2.93Å; K422-D455 PolarHBondContact NZ-OD1 3.43Å; K422-Y459 HydrophobicContact CD-CD1 4.45Å; K422-Y459 HydrophobicContact CD-CE1 3.78Å; K422-Y459 HydrophobicContact CD-CE2 4.2Å; K422-Y459 HydrophobicContact CG-CE1 4.31Å; K422-Y459 HydrophobicContact CG-CE2 3.94Å; K422-Y459 WeakPolarHBondContact CG-OH 3.45Å
423Y94.2Very high94Very high4 Ų421.9 Ų21.92%0.01613%0.132CC..Hα-helixtrans-93.7-22.7-174.9-72.3-76.6000114.5L370 P371 L373 N419 L420 L421L370-Y423 HydrophobicContact CB-CD1 4.14Å; L370-Y423 HydrophobicContact CB-CE1 4.01Å; L370-Y423 HydrophobicContact CB-CG 4.46Å; L370-Y423 HydrophobicContact CD1-CD2 4.29Å; L370-Y423 HydrophobicContact CD1-CG 4.37Å; L370-Y423 HydrophobicContact CD2-CD1 3.95Å; L370-Y423 HydrophobicContact CD2-CG 3.99Å; L370-Y423 PolarHBondContact O-OH 2.66Å; P371-Y423 WeakPolarHBondContact O-CE1 3.36Å; L373-Y423 HydrophobicContact CD1-CD1 4.29Å; L373-Y423 HydrophobicContact CD1-CE1 4.38Å; L373-Y423 HydrophobicContact CD2-CD1 3.62Å; L373-Y423 HydrophobicContact CD2-CE1 3.7Å; L373-Y423 HydrophobicContact CG-CD1 3.95Å; L373-Y423 HydrophobicContact CG-CE1 3.71Å; N419-Y423 VanDerWaalsContact O-CD2 3.22Å; N419-Y423 WeakPolarHBondContact O-CD2 3.43Å; L420-Y423 PolarHBondContact O-N 3.28Å; L421-Y423 VanDerWaalsContact C-N 3.25Å; L421-Y423 PolarHBondContact O-N 3.37Å
424T95.5Very high93.8Very high1 Ų125.5 Ų25.51%0.00615%0.154CC..Hα-helixtrans-116.5-22.5-170.768.90000114.1P380 V391 M394 L409 L420 L421 N428P380-T424 WeakPolarHBondContact CB-O 3.33Å; V391-T424 HydrophobicContact CG2-CG2 4.01Å; M394-T424 HydrophobicContact CE-CG2 4.32Å; M394-T424 HydrophobicContact SD-CG2 3.82Å; L409-T424 HydrophobicContact CD1-CG2 4.05Å; L420-T424 HydrophobicContact CD1-CG2 3.62Å; L420-T424 HydrophobicContact CG-CG2 4.17Å; L420-T424 PolarHBondContact O-N 2.79Å; L420-T424 PolarHBondContact O-OG1 3.44Å; L420-T424 VanDerWaalsContact O-OG1 3.1Å; L421-T424 PolarHBondContact O-N 3.34Å; T424-N428 WeakPolarHBondContact O-CB 3.5Å; T424-N428 PolarHBondContact O-ND2 3.48Å
425G94.3Very high93.6Very high0 Ų028 Ų280%018%0.179CC..  trans71.3153.4-163.400000112.5L421 A429L421-G425 WeakPolarHBondContact O-CA 3.42Å; L421-G425 PolarHBondContact O-N 2.95Å; G425-A429 PolarHBondContact O-N 3.06Å
426Y94.2Very high93.3Very high76 Ų7633 Ų3330%0.29820%0.197SC..Hα-helixtrans-67.7-36.3-176.6-175.5-85.9000113L421 N428 A429 A430 L433 L439 P468 I469L421-Y426 HydrophobicContact CD1-CD2 4.02Å; L421-Y426 VanDerWaalsContact CD2-CA 3.45Å; L421-Y426 HydrophobicContact CD2-CD2 3.81Å; L421-Y426 HydrophobicContact CD2-CG 4.23Å; Y426-N428 VanDerWaalsContact C-N 3.31Å; Y426-N428 PolarHBondContact O-N 3.35Å; Y426-A429 PolarHBondContact O-N 3.38Å; Y426-A430 HydrophobicContact CD1-CB 4.34Å; Y426-A430 HydrophobicContact CE1-CB 4.1Å; Y426-A430 WeakPolarHBondContact O-CB 3.47Å; Y426-A430 PolarHBondContact O-N 2.86Å; Y426-L433 HydrophobicContact CD2-CD1 4.06Å; Y426-L433 HydrophobicContact CE2-CD1 3.82Å; Y426-L439 VanDerWaalsContact OH-CD2 3.29Å; Y426-L439 WeakPolarHBondContact OH-CD2 3.4Å; Y426-P468 VanDerWaalsContact CB-O 3.24Å; Y426-P468 WeakPolarHBondContact CB-O 3.42Å; Y426-P468 PolarHBondContact N-O 3.46Å; Y426-I469 PolarHBondContact N-O 3.2Å
427G93.9Very high93.1Very high41 Ų4133.7 Ų33.742%0.42321%0.205SC..Hα-helixtrans-57-43179.300000113I469G427-I469 PolarHBondContact N-O 3.01Å
428N95.4Very high93Very high18 Ų1834.6 Ų34.610%0.09621%0.209CC..Hα-helixtrans-75-36177.8-63-48.9000112.1E381 V391 M394 T424 Y426E381-N428 PolarHBondContact OE2-ND2 3.22Å; V391-N428 HydrophobicContact CG1-CB 3.87Å; V391-N428 VanDerWaalsContact CG1-ND2 3.32Å; V391-N428 WeakPolarHBondContact CG1-ND2 3.34Å; M394-N428 HydrophobicContact SD-CB 4.42Å; T424-N428 WeakPolarHBondContact O-CB 3.5Å; T424-N428 PolarHBondContact O-ND2 3.48Å; Y426-N428 VanDerWaalsContact C-N 3.31Å; Y426-N428 PolarHBondContact O-N 3.35Å
429A95.6Very high92.8Very high0 Ų030 Ų300%019%0.185CC..Hα-helixtrans-79.9-21.9-178.600000114.4M394 L420 L421 G425 Y426 G431 L432 L433M394-A429 HydrophobicContact CE-CB 4.22Å; L420-A429 HydrophobicContact CD2-CB 3.91Å; L420-A429 HydrophobicContact CG-CB 4.34Å; L421-A429 HydrophobicContact CD2-CB 3.82Å; G425-A429 PolarHBondContact O-N 3.06Å; Y426-A429 PolarHBondContact O-N 3.38Å; A429-G431 PolarHBondContact O-N 2.75Å; A429-G431 VanDerWaalsContact O-N 3.1Å; A429-L432 WeakPolarHBondContact O-CB 3.34Å; A429-L432 PolarHBondContact O-N 3.34Å; A429-L433 HydrophobicContact CB-CD1 4.34Å; A429-L433 HydrophobicContact CB-CG 4.43Å; A429-L433 WeakPolarHBondContact O-CG 3.27Å; A429-L433 PolarHBondContact O-N 3.44Å
430A92.5Very high92.5Very high24 Ų2431.9 Ų31.920%0.19820%0.204CC..Hα-helixtrans-52.2-41.5-171.700000112.6Y426 L432 L433 V434Y426-A430 HydrophobicContact CD1-CB 4.34Å; Y426-A430 HydrophobicContact CE1-CB 4.1Å; Y426-A430 WeakPolarHBondContact O-CB 3.47Å; Y426-A430 PolarHBondContact O-N 2.86Å; A430-L432 VanDerWaalsContact C-N 3.31Å; A430-L432 PolarHBondContact O-N 2.96Å; A430-L433 PolarHBondContact O-N 2.86Å; A430-V434 VanDerWaalsContact O-CG2 3.22Å; A430-V434 WeakPolarHBondContact O-CG2 3.49Å; A430-V434 PolarHBondContact O-N 3.03Å
431G91.3Very high92.1Very high39 Ų3933 Ų3340%0.40222%0.216SC..Hα-helixtrans-60.1-37.6178.600000113.9A429 A435A429-G431 PolarHBondContact O-N 2.75Å; A429-G431 VanDerWaalsContact O-N 3.1Å; G431-A435 WeakPolarHBondContact O-CB 3.49Å; G431-A435 PolarHBondContact O-N 3.2Å
432L93.7Very high91.8Very high16 Ų1633.5 Ų33.58%0.08423%0.23CC..Hα-helixtrans-72-45.5174.7-177.775.5000110.9A406 F410 L420 A429 A430 V434 A435 R436A406-L432 HydrophobicContact CB-CB 3.94Å; A406-L432 HydrophobicContact CB-CD1 3.95Å; A406-L432 HydrophobicContact CB-CD2 4.1Å; A406-L432 HydrophobicContact CB-CG 4.21Å; F410-L432 HydrophobicContact CB-CD2 3.65Å; F410-L432 HydrophobicContact CD1-CD2 4.18Å; F410-L432 HydrophobicContact CD2-CD2 4.33Å; F410-L432 HydrophobicContact CG-CD2 3.82Å; L420-L432 HydrophobicContact CD2-CD2 3.83Å; A429-L432 WeakPolarHBondContact O-CB 3.34Å; A429-L432 PolarHBondContact O-N 3.34Å; A430-L432 VanDerWaalsContact C-N 3.31Å; A430-L432 PolarHBondContact O-N 2.96Å; L432-V434 VanDerWaalsContact C-N 3.34Å; L432-V434 PolarHBondContact O-N 3.32Å; L432-A435 PolarHBondContact O-N 3.03Å; L432-A435 VanDerWaalsContact O-N 3.1Å; L432-R436 PolarHBondContact O-N 3.17Å
433L93.6Very high91.6Very high1 Ų137.1 Ų37.11%0.00524%0.243CC..Hα-helixtrans-62.1-40.8-178.3-61.2-179.6000111.9V417 L421 Y426 A429 A430 R436 G437 L438 L439V417-L433 HydrophobicContact CB-CD2 4.41Å; V417-L433 HydrophobicContact CG1-CD1 4.05Å; V417-L433 HydrophobicContact CG1-CD2 3.94Å; V417-L433 HydrophobicContact CG2-CD2 3.76Å; L421-L433 HydrophobicContact CD2-CD1 4.22Å; Y426-L433 HydrophobicContact CD2-CD1 4.06Å; Y426-L433 HydrophobicContact CE2-CD1 3.82Å; A429-L433 HydrophobicContact CB-CD1 4.34Å; A429-L433 HydrophobicContact CB-CG 4.43Å; A429-L433 WeakPolarHBondContact O-CG 3.27Å; A429-L433 PolarHBondContact O-N 3.44Å; A430-L433 PolarHBondContact O-N 2.86Å; L433-R436 PolarHBondContact O-N 2.93Å; L433-G437 PolarHBondContact O-N 3.01Å; L433-L438 HydrophobicContact CD2-CB 3.99Å; L433-L438 PolarHBondContact O-N 3.11Å; L433-L439 HydrophobicContact CB-CD2 3.81Å; L433-L439 HydrophobicContact CB-CG 4.39Å
434V91.5Very high91.2Very high77 Ų7737.9 Ų37.947%0.46725%0.252SS..Hα-helixtrans-59.3-48.5172175.70000110.4A430 L432 R436 G437 L439 L520A430-V434 VanDerWaalsContact O-CG2 3.22Å; A430-V434 WeakPolarHBondContact O-CG2 3.49Å; A430-V434 PolarHBondContact O-N 3.03Å; L432-V434 VanDerWaalsContact C-N 3.34Å; L432-V434 PolarHBondContact O-N 3.32Å; V434-R436 VanDerWaalsContact C-N 3.26Å; V434-R436 PolarHBondContact O-N 2.74Å; V434-G437 PolarHBondContact O-N 3.28Å; V434-L439 HydrophobicContact CG2-CD1 3.92Å; V434-L439 HydrophobicContact CG2-CD2 3.87Å; V434-L439 HydrophobicContact CG2-CG 4.27Å; V434-L520 HydrophobicContact CG2-CD1 4.41Å
435A89.8Confident90.6Very high71 Ų7147.4 Ų47.459%0.58730%0.297SS*.Hα-helixtrans-66.3-27.7-17600000113.4G431 L432G431-A435 WeakPolarHBondContact O-CB 3.49Å; G431-A435 PolarHBondContact O-N 3.2Å; L432-A435 PolarHBondContact O-N 3.03Å; L432-A435 VanDerWaalsContact O-N 3.1Å
436R89.6Confident90.1Very high110 Ų11049.5 Ų49.542%0.41531%0.309SS..Hα-helixtrans-95.8-4.3178.4-75.6-81.5171.296-3.9114E407 L432 L433 V434 L438E407-R436 IonicContact OE1-CZ 2.99Å; E407-R436 VanDerWaalsContact OE1-CZ 3.32Å; E407-R436 IonicContact OE1-NH1 3.65Å; E407-R436 PolarHBondContact OE1-NH1 3.39Å; E407-R436 IonicContact OE1-NH2 2.93Å; E407-R436 PolarHBondContact OE1-NH2 3.26Å; E407-R436 IonicContact OE2-CZ 2.99Å; E407-R436 IonicContact OE2-NH1 2.85Å; E407-R436 PolarHBondContact OE2-NH1 3.29Å; E407-R436 IonicContact OE2-NH2 3.77Å; E407-R436 PolarHBondContact OE2-NH2 3.47Å; L432-R436 PolarHBondContact O-N 3.17Å; L433-R436 PolarHBondContact O-N 2.93Å; V434-R436 VanDerWaalsContact C-N 3.26Å; V434-R436 PolarHBondContact O-N 2.74Å; R436-L438 VanDerWaalsContact C-N 3.31Å; R436-L438 HydrophobicContact CB-CB 4.42Å; R436-L438 HydrophobicContact CB-CD1 3.82Å; R436-L438 HydrophobicContact CB-CG 3.89Å
437G90.2Very high89.6Confident21 Ų2154.8 Ų54.822%0.21634%0.337CS..THydrogen-bonded Turntrans6435.6-173.600000112.9L433 V434 G518L433-G437 PolarHBondContact O-N 3.01Å; V434-G437 PolarHBondContact O-N 3.28Å; G437-G518 VanDerWaalsContact O-CA 3.31Å; G437-G518 WeakPolarHBondContact O-CA 3.48Å
438L91.6Very high89.2Confident23 Ų2354.7 Ų54.712%0.1232%0.324CS..  trans-11323.7-175.8-66.6177.6000112.8F410 V417 L433 R436 A440 G441F410-L438 HydrophobicContact CE1-CD1 4.02Å; F410-L438 HydrophobicContact CE2-CD1 4.49Å; F410-L438 HydrophobicContact CZ-CD1 3.53Å; V417-L438 HydrophobicContact CG2-CB 3.93Å; V417-L438 HydrophobicContact CG2-CD1 4.27Å; L433-L438 HydrophobicContact CD2-CB 3.99Å; L433-L438 PolarHBondContact O-N 3.11Å; R436-L438 VanDerWaalsContact C-N 3.31Å; R436-L438 HydrophobicContact CB-CB 4.42Å; R436-L438 HydrophobicContact CB-CD1 3.82Å; R436-L438 HydrophobicContact CB-CG 3.89Å; L438-A440 PolarHBondContact O-N 2.96Å; L438-G441 PolarHBondContact O-N 3.11Å; L438-G441 VanDerWaalsContact O-N 3.08Å
439L88.3Confident88.5Confident22 Ų2256.6 Ų56.612%0.11534%0.338CS..THydrogen-bonded Turntrans-67.9-24.9179-67.7168.9000113.2Y426 L433 V434 G441 V514 L520Y426-L439 VanDerWaalsContact OH-CD2 3.29Å; Y426-L439 WeakPolarHBondContact OH-CD2 3.4Å; L433-L439 HydrophobicContact CB-CD2 3.81Å; L433-L439 HydrophobicContact CB-CG 4.39Å; V434-L439 HydrophobicContact CG2-CD1 3.92Å; V434-L439 HydrophobicContact CG2-CD2 3.87Å; V434-L439 HydrophobicContact CG2-CG 4.27Å; L439-G441 PolarHBondContact O-N 2.73Å; L439-V514 HydrophobicContact CB-CG1 3.68Å; L439-V514 HydrophobicContact CB-CG2 3.95Å; L439-V514 HydrophobicContact CD1-CG2 4.38Å; L439-L520 HydrophobicContact CD1-CD1 3.93Å; L439-L520 HydrophobicContact CD1-CD2 3.72Å; L439-L520 HydrophobicContact CD1-CG 3.51Å
440A85.4Confident87.7Confident64 Ų6465.2 Ų65.253%0.52938%0.379SS..THydrogen-bonded Turntrans-78.73.4173.500000112.8L438 V514L438-A440 PolarHBondContact O-N 2.96Å; A440-V514 HydrophobicContact CB-CG1 4.01Å
441G86.9Confident86.9Confident25 Ų2567.5 Ų67.526%0.25839%0.387SS..  trans86.5-163.8-171.300000112.3L438 L439L438-G441 PolarHBondContact O-N 3.11Å; L438-G441 VanDerWaalsContact O-N 3.08Å; L439-G441 PolarHBondContact O-N 2.73Å
442G87.6Confident86Confident48 Ų4871.4 Ų71.450%0.49540%0.395SS..  trans105.4-154.4178.200000113.9V417V417-G442 WeakPolarHBondContact CG2-O 3.37Å; V417-G442 PolarHBondContact N-O 3.4Å; V417-G442 VanDerWaalsContact N-O 3.09Å
443R89Confident85.2Confident99 Ų9976 Ų7637%0.37442%0.42SS..BIsolated β-bridgetrans-137.1152.6-176.1-168.7178.2-73.3-108.96.2109.7K414 E415 D451K414-R443 PolarHBondContact O-NH1 3Å; E415-R443 CarbonylContact O-C 3.08Å; E415-R443 WeakPolarHBondContact O-CA 3.48Å; E415-R443 VanDerWaalsContact O-CG 3.28Å; E415-R443 WeakPolarHBondContact O-CG 3.46Å; R443-D451 IonicContact CZ-OD2 3.41Å; R443-D451 IonicContact NH1-OD1 3.41Å; R443-D451 IonicContact NH2-OD1 2.7Å; R443-D451 IonicContact NH2-OD2 2.82Å; R443-D451 PolarHBondContact NH2-OD2 2.87Å
444G84.8Confident84.6Confident20 Ų2077.2 Ų77.221%0.20643%0.429CS..  trans-65.9177.6169.600000113.2E415E415-G444 PolarHBondContact O-N 3.33Å; E415-G444 WeakPolarHBondContact OE2-CA 3.46Å
445E83Confident84.4Confident201 Ų20175.2 Ų75.294%0.93942%0.415SS*.SBendtrans-76.7-21.9-172-62.7-179.8169.900113.5
446T84.6Confident84.2Confident43 Ų4373 Ų7326%0.26439%0.394SS..SBendtrans-72.7134.1-175.8-48.20000111.6R356 E415 Y448R356-T446 HydrophobicContact CG-CG2 3.87Å; E415-T446 VanDerWaalsContact OE1-CB 3.27Å; E415-T446 WeakPolarHBondContact OE1-CB 3.28Å; E415-T446 PolarHBondContact OE1-OG1 2.88Å; E415-T446 PolarHBondContact OE2-OG1 2.94Å; T446-Y448 HydrophobicContact CG2-CD2 4.47Å; T446-Y448 HydrophobicContact CG2-CE1 4.34Å; T446-Y448 HydrophobicContact CG2-CE2 3.85Å; T446-Y448 WeakPolarHBondContact O-CD2 3.5Å; T446-Y448 WeakPolarHBondContact O-CE2 3.43Å
447E82.6Confident84Confident188 Ų18874 Ų7488%0.87941%0.408SS*.  trans-75.3129.3174.4-66.7-175.1176.700111.8
448Y86.9Confident83.8Confident39 Ų3977.6 Ų77.615%0.15342%0.419CS..  trans-128159.3178.5-68.3-78000111.1R362 K414 E415 T446R362-Y448 VanDerWaalsContact CZ-CD1 3.46Å; K414-Y448 VanDerWaalsContact C-CE2 3.48Å; K414-Y448 HydrophobicContact CB-CD1 4.08Å; K414-Y448 HydrophobicContact CB-CD2 3.84Å; K414-Y448 HydrophobicContact CB-CE2 4.36Å; K414-Y448 HydrophobicContact CB-CG 3.68Å; K414-Y448 HydrophobicContact CG-CD1 4.08Å; K414-Y448 HydrophobicContact CG-CG 4.05Å; K414-Y448 VanDerWaalsContact O-CD2 3.26Å; K414-Y448 WeakPolarHBondContact O-CD2 3.43Å; E415-Y448 HydrophobicContact CB-CE2 3.92Å; E415-Y448 HydrophobicContact CG-CE2 3.71Å; E415-Y448 PolarHBondContact OE1-OH 3.22Å; T446-Y448 HydrophobicContact CG2-CD2 4.47Å; T446-Y448 HydrophobicContact CG2-CE1 4.34Å; T446-Y448 HydrophobicContact CG2-CE2 3.85Å; T446-Y448 WeakPolarHBondContact O-CD2 3.5Å; T446-Y448 WeakPolarHBondContact O-CE2 3.43Å
449S81.1Confident83.7Confident57 Ų5777.5 Ų77.540%0.39942%0.417SS..PPolyproline II helixtrans-63157.5170.168.40000111.5K414K414-S449 PolarHBondContact NZ-O 2.88Å
450E77.8Confident83.7Confident181 Ų18181 Ų8185%0.84643%0.431SS*.PPolyproline II helixtrans-53.5150.3177-66.1-176.9179.900113.1K414K414-E450 PolarHBondContact NZ-O 3.22Å
451D74.8Confident83.7Confident72 Ų7281.8 Ų81.839%0.38543%0.433SS..PPolyproline II helixtrans-74.1124.3-176.1-73.4-19.6000112.1K414 N419 R443K414-D451 WeakPolarHBondContact CD-OD1 3.45Å; K414-D451 IonicContact NZ-OD1 3.43Å; K414-D451 PolarHBondContact NZ-OD1 3.28Å; N419-D451 PolarHBondContact ND2-OD2 3.46Å; R443-D451 IonicContact CZ-OD2 3.41Å; R443-D451 IonicContact NH1-OD1 3.41Å; R443-D451 IonicContact NH2-OD1 2.7Å; R443-D451 IonicContact NH2-OD2 2.82Å; R443-D451 PolarHBondContact NH2-OD2 2.87Å
452E73.1Confident83.7Confident122 Ų12281.4 Ų81.457%0.5743%0.428SS*.PPolyproline II helixtrans-80.3131.2168.5-65.7-179179.100108R363 S454R363-E452 IonicContact CZ-OE1 2.69Å; R363-E452 IonicContact CZ-OE2 2.75Å; R363-E452 IonicContact NE-OE2 3.43Å; R363-E452 IonicContact NH2-OE1 3.33Å; R363-E452 PolarHBondContact NH2-OE1 3.49Å; R363-E452 VanDerWaalsContact NH2-OE1 3.16Å; R363-E452 IonicContact NH2-OE2 3.46Å; R363-E452 PolarHBondContact NH2-OE2 2.64Å; E452-S454 PolarHBondContact O-N 3.44Å
453D77.1Confident83.7Confident113 Ų11384.5 Ų84.560%0.60443%0.428SS*.  trans-61.4111.7172.9-174.810000108.9D455 K460D453-D455 VanDerWaalsContact OD1-CB 3.3Å; D453-D455 WeakPolarHBondContact OD1-CB 3.34Å; D453-D455 PolarHBondContact OD1-N 3.04Å; D453-K460 IonicContact OD2-NZ 3.36Å; D453-K460 PolarHBondContact OD2-NZ 2.77Å
454S81.3Confident83.7Confident26 Ų2684.7 Ų84.718%0.18244%0.442CS..  trans-108.76.6179.951.70000111.7K422 E452 T456K422-S454 PolarHBondContact NZ-OG 3.21Å; E452-S454 PolarHBondContact O-N 3.44Å; S454-T456 PolarHBondContact O-N 3.18Å
455D86.3Confident83.8Confident35 Ų3590.8 Ų90.819%0.18746%0.463CS..  trans-77116.6179.2-70.2-0.6000108.7K422 D453 Y459 K460 K463K422-D455 IonicContact NZ-OD1 2.93Å; K422-D455 PolarHBondContact NZ-OD1 3.43Å; D453-D455 VanDerWaalsContact OD1-CB 3.3Å; D453-D455 WeakPolarHBondContact OD1-CB 3.34Å; D453-D455 PolarHBondContact OD1-N 3.04Å; D455-Y459 HydrophobicContact CB-CD1 3.93Å; D455-K460 HydrophobicContact CB-CD 4.31Å; D455-K460 VanDerWaalsContact CB-CE 3.44Å; D455-K460 HydrophobicContact CB-CG 3.88Å; D455-K460 VanDerWaalsContact O-CE 3.31Å; D455-K460 WeakPolarHBondContact O-CE 3.34Å; D455-K460 PolarHBondContact O-NZ 3.42Å; D455-K463 IonicContact OD2-NZ 3.35Å
456T86.4Confident84.1Confident23 Ų2382.4 Ų82.414%0.14142%0.424CS..  trans-71.2160172.262.70000110.2P372 L373 K374 S454 E458 Y459 K460P372-T456 HydrophobicContact CB-CG2 3.58Å; L373-T456 WeakPolarHBondContact O-CB 3.27Å; L373-T456 VanDerWaalsContact O-CG2 3.23Å; L373-T456 WeakPolarHBondContact O-CG2 3.38Å; L373-T456 PolarHBondContact O-OG1 3.41Å; K374-T456 HydrophobicContact CG-CG2 4.4Å; S454-T456 PolarHBondContact O-N 3.18Å; T456-E458 WeakPolarHBondContact CB-OE2 3.47Å; T456-E458 PolarHBondContact O-N 2.94Å; T456-Y459 PolarHBondContact O-N 3.48Å; T456-Y459 VanDerWaalsContact O-N 3.16Å; T456-Y459 VanDerWaalsContact OG1-CB 3.25Å; T456-Y459 WeakPolarHBondContact OG1-CB 3.47Å; T456-Y459 PolarHBondContact OG1-N 2.9Å; T456-K460 WeakPolarHBondContact O-CG 3.4Å; T456-K460 PolarHBondContact O-N 3.4Å
457D85.8Confident84.4Confident131 Ų13182.3 Ų82.370%0.70142%0.422SS*.Hα-helixtrans-60.9-36.6176.2-66-31.6000111.2K460 S461D457-K460 PolarHBondContact O-N 2.75Å; D457-S461 PolarHBondContact O-N 3.27Å; D457-S461 VanDerWaalsContact O-N 3.1Å
458E86.3Confident84.6Confident97 Ų9778 Ų7845%0.45341%0.41SS..Hα-helixtrans-60.7-47.7173.9-60.590.7158.800111.4T456 S461 A462T456-E458 WeakPolarHBondContact CB-OE2 3.47Å; T456-E458 PolarHBondContact O-N 2.94Å; E458-S461 PolarHBondContact O-N 3.07Å; E458-S461 PolarHBondContact O-OG 3.06Å; E458-A462 PolarHBondContact O-N 2.97Å; E458-A462 VanDerWaalsContact O-N 3.17Å
459Y88Confident84.7Confident21 Ų2181.2 Ų81.28%0.08243%0.429CS..Hα-helixtrans-63.8-44.1178.2-178.5-97.2000111.9L373 V376 K422 D455 T456 S461 A462 K463 I466L373-Y459 HydrophobicContact CB-CD2 3.95Å; L373-Y459 HydrophobicContact CB-CG 4.5Å; L373-Y459 HydrophobicContact CD1-CD2 3.73Å; L373-Y459 HydrophobicContact CD1-CE2 3.63Å; L373-Y459 HydrophobicContact CG-CD2 4.46Å; V376-Y459 HydrophobicContact CG1-CD2 3.78Å; V376-Y459 HydrophobicContact CG1-CE2 4.2Å; K422-Y459 HydrophobicContact CD-CD1 4.45Å; K422-Y459 HydrophobicContact CD-CE1 3.78Å; K422-Y459 HydrophobicContact CD-CE2 4.2Å; K422-Y459 HydrophobicContact CG-CE1 4.31Å; K422-Y459 HydrophobicContact CG-CE2 3.94Å; K422-Y459 WeakPolarHBondContact CG-OH 3.45Å; D455-Y459 HydrophobicContact CB-CD1 3.93Å; T456-Y459 PolarHBondContact O-N 3.48Å; T456-Y459 VanDerWaalsContact O-N 3.16Å; T456-Y459 VanDerWaalsContact OG1-CB 3.25Å; T456-Y459 WeakPolarHBondContact OG1-CB 3.47Å; T456-Y459 PolarHBondContact OG1-N 2.9Å; Y459-S461 VanDerWaalsContact C-N 3.25Å; Y459-S461 PolarHBondContact O-N 3.43Å; Y459-A462 PolarHBondContact O-N 3.33Å; Y459-A462 VanDerWaalsContact O-N 3.11Å; Y459-K463 HydrophobicContact CE1-CB 4.37Å; Y459-K463 HydrophobicContact CE1-CD 4.02Å; Y459-K463 HydrophobicContact CE1-CG 4.24Å; Y459-K463 WeakPolarHBondContact O-CB 3.3Å; Y459-K463 PolarHBondContact O-N 2.93Å; Y459-I466 HydrophobicContact CD2-CD1 4.13Å; Y459-I466 HydrophobicContact CE2-CD1 3.56Å
460K88.2Confident85Confident95 Ų9579.7 Ų79.741%0.41342%0.418SS..Hα-helixtrans-57.6-40.1178.4-72.5174.7-178.9172.30111.7D453 D455 T456 D457D453-K460 IonicContact OD2-NZ 3.36Å; D453-K460 PolarHBondContact OD2-NZ 2.77Å; D455-K460 HydrophobicContact CB-CD 4.31Å; D455-K460 VanDerWaalsContact CB-CE 3.44Å; D455-K460 HydrophobicContact CB-CG 3.88Å; D455-K460 VanDerWaalsContact O-CE 3.31Å; D455-K460 WeakPolarHBondContact O-CE 3.34Å; D455-K460 PolarHBondContact O-NZ 3.42Å; T456-K460 WeakPolarHBondContact O-CG 3.4Å; T456-K460 PolarHBondContact O-N 3.4Å; D457-K460 PolarHBondContact O-N 2.75Å
461S87.1Confident85.6Confident82 Ų8271.6 Ų71.657%0.57338%0.383SS*.Hα-helixtrans-69.2-34.5177.7760000113.5D457 E458 Y459D457-S461 PolarHBondContact O-N 3.27Å; D457-S461 VanDerWaalsContact O-N 3.1Å; E458-S461 PolarHBondContact O-N 3.07Å; E458-S461 PolarHBondContact O-OG 3.06Å; Y459-S461 VanDerWaalsContact C-N 3.25Å; Y459-S461 PolarHBondContact O-N 3.43Å
462A86.8Confident86.3Confident17 Ų1769.2 Ų69.214%0.1437%0.369CS..Hα-helixtrans-88.6-23.6-176.500000113.5V376 E458 Y459 P464 F465 I466 V473V376-A462 HydrophobicContact CG2-CB 3.5Å; V376-A462 VanDerWaalsContact CG2-CB 3.5Å; E458-A462 PolarHBondContact O-N 2.97Å; E458-A462 VanDerWaalsContact O-N 3.17Å; Y459-A462 PolarHBondContact O-N 3.33Å; Y459-A462 VanDerWaalsContact O-N 3.11Å; A462-P464 VanDerWaalsContact C-N 3.33Å; A462-P464 VanDerWaalsContact O-N 3.13Å; A462-F465 WeakPolarHBondContact O-CA 3.39Å; A462-F465 PolarHBondContact O-N 3.42Å; A462-I466 PolarHBondContact O-N 3.32Å; A462-V473 HydrophobicContact CB-CG2 4.28Å
463K86.8Confident87.1Confident113 Ų11365.6 Ų65.649%0.49136%0.355SS..G310 helixtrans-45.6-42.8-175.4-172176.8-173.5171.40114.9D455 Y459 F465 I466D455-K463 IonicContact OD2-NZ 3.35Å; Y459-K463 HydrophobicContact CE1-CB 4.37Å; Y459-K463 HydrophobicContact CE1-CD 4.02Å; Y459-K463 HydrophobicContact CE1-CG 4.24Å; Y459-K463 WeakPolarHBondContact O-CB 3.3Å; Y459-K463 PolarHBondContact O-N 2.93Å; K463-F465 PolarHBondContact O-N 3.23Å; K463-I466 PolarHBondContact O-N 2.92Å
464P88.6Confident87.4Confident103 Ų10363.7 Ų63.767%0.66934%0.343SS*.G310 helixtrans-64.9-21.6178.5-21.434.6000114.4A462A462-P464 VanDerWaalsContact C-N 3.33Å; A462-P464 VanDerWaalsContact O-N 3.13Å
465F87.9Confident87.3Confident148 Ų14870.7 Ų70.765%0.64937%0.373SS*.G310 helixtrans-102.9-2.4-175.2-52.3-77.2000113A462 K463 V473A462-F465 WeakPolarHBondContact O-CA 3.39Å; A462-F465 PolarHBondContact O-N 3.42Å; K463-F465 PolarHBondContact O-N 3.23Å; F465-V473 HydrophobicContact CB-CG1 4.1Å; F465-V473 HydrophobicContact CB-CG2 4.29Å
466I89.3Confident86.8Confident25 Ų2575.3 Ų75.313%0.12840%0.404CS..BIsolated β-bridgetrans-79.2125.3179.1-65174.4000108.9V376 Y459 A462 K463 P468 V473V376-I466 HydrophobicContact CB-CD1 4.05Å; V376-I466 HydrophobicContact CB-CG1 4.48Å; V376-I466 HydrophobicContact CG1-CD1 4.02Å; V376-I466 HydrophobicContact CG2-CD1 4.17Å; V376-I466 HydrophobicContact CG2-CG1 4.43Å; Y459-I466 HydrophobicContact CD2-CD1 4.13Å; Y459-I466 HydrophobicContact CE2-CD1 3.56Å; A462-I466 PolarHBondContact O-N 3.32Å; K463-I466 PolarHBondContact O-N 2.92Å; I466-P468 VanDerWaalsContact O-CD 3.31Å; I466-P468 WeakPolarHBondContact O-CD 3.48Å; I466-V473 HydrophobicContact CG1-CG2 3.79Å
467N90.3Very high86.1Confident41 Ų4181.9 Ų81.922%0.21944%0.435CS..  trans-70.1119.9170.6-180-29.2000109.1I469 T470 G471 H472 E474N467-I469 PolarHBondContact O-N 3.2Å; N467-I469 WeakPolarHBondContact OD1-CB 3.46Å; N467-I469 PolarHBondContact OD1-N 2.97Å; N467-T470 WeakPolarHBondContact CB-OG1 3.25Å; N467-T470 PolarHBondContact O-N 2.77Å; N467-G471 WeakPolarHBondContact O-CA 3.37Å; N467-G471 PolarHBondContact O-N 2.89Å; N467-H472 PolarHBondContact N-O 2.94Å; N467-E474 HydrophobicContact CB-CG 4.31Å; N467-E474 PolarHBondContact ND2-OE1 3.25Å; N467-E474 PolarHBondContact ND2-OE2 3.06Å
468P87.6Confident85.8Confident97 Ų9781 Ų8163%0.6344%0.437SS*.THydrogen-bonded Turntrans-61.7-28.5-177.6-23.834.4000114Y426 I466Y426-P468 VanDerWaalsContact CB-O 3.24Å; Y426-P468 WeakPolarHBondContact CB-O 3.42Å; Y426-P468 PolarHBondContact N-O 3.46Å; I466-P468 VanDerWaalsContact O-CD 3.31Å; I466-P468 WeakPolarHBondContact O-CD 3.48Å
469I88.9Confident85.3Confident106 Ų10679.8 Ų79.854%0.54443%0.434SS..THydrogen-bonded Turntrans-72.5-50.1-178.9-57.9177.7000110.2Y426 G427 N467Y426-I469 PolarHBondContact N-O 3.2Å; G427-I469 PolarHBondContact N-O 3.01Å; N467-I469 PolarHBondContact O-N 3.2Å; N467-I469 WeakPolarHBondContact OD1-CB 3.46Å; N467-I469 PolarHBondContact OD1-N 2.97Å
470T87.8Confident84.8Confident26 Ų2684.4 Ų84.416%0.1647%0.466CS..THydrogen-bonded Turntrans-94.1-12.2-173.860.30000113.3P380 N467 H472 E474P380-T470 WeakPolarHBondContact CD-O 3.35Å; N467-T470 WeakPolarHBondContact CB-OG1 3.25Å; N467-T470 PolarHBondContact O-N 2.77Å; T470-H472 VanDerWaalsContact C-N 3.27Å; T470-H472 VanDerWaalsContact CB-ND1 3.31Å; T470-H472 WeakPolarHBondContact CB-ND1 3.37Å; T470-H472 PolarHBondContact O-N 3.08Å; T470-H472 PolarHBondContact OG1-CE1 2.99Å; T470-H472 PolarHBondContact OG1-ND1 2.86Å; T470-E474 WeakPolarHBondContact CB-OE1 3.44Å; T470-E474 WeakPolarHBondContact CG2-OE1 3.39Å; T470-E474 PolarHBondContact OG1-OE1 3.2Å
471G88.4Confident84.5Confident11 Ų1183.5 Ų83.511%0.11347%0.465CS..SBendtrans68.718.6175.200000115N467N467-G471 WeakPolarHBondContact O-CA 3.37Å; N467-G471 PolarHBondContact O-N 2.89Å
472H91.1Very high84.2Confident21 Ų2186.5 Ų86.510%0.09747%0.47CS..SBendtrans-139164.8177.274.2-55.3000111.6V376 K377 N378 N467 T470 E474V376-H472 CarbonylContact O-C 3.54Å; V376-H472 VanDerWaalsContact O-CA 3.31Å; V376-H472 WeakPolarHBondContact O-CA 3.45Å; V376-H472 WeakPolarHBondContact O-CB 3.21Å; K377-H472 PolarHBondContact O-CD2 3.02Å; K377-H472 VanDerWaalsContact O-CD2 3.25Å; N378-H472 WeakPolarHBondContact O-CB 3.33Å; N467-H472 PolarHBondContact N-O 2.94Å; T470-H472 VanDerWaalsContact C-N 3.27Å; T470-H472 VanDerWaalsContact CB-ND1 3.31Å; T470-H472 WeakPolarHBondContact CB-ND1 3.37Å; T470-H472 PolarHBondContact O-N 3.08Å; T470-H472 PolarHBondContact OG1-CE1 2.99Å; T470-H472 PolarHBondContact OG1-ND1 2.86Å; H472-E474 WeakPolarHBondContact CE1-CG 3.39Å; H472-E474 IonicContact CE1-OE1 3.81Å; H472-E474 PolarHBondContact O-N 2.94Å
473V89.8Confident83.9Confident47 Ų4794.7 Ų94.729%0.28551%0.505SS..BIsolated β-bridgetrans-76.7112.5169.7-178.60000108.1V376 A462 F465 I466V376-V473 HydrophobicContact CG2-CG2 3.97Å; V376-V473 PolarHBondContact O-N 3.35Å; A462-V473 HydrophobicContact CB-CG2 4.28Å; F465-V473 HydrophobicContact CB-CG1 4.1Å; F465-V473 HydrophobicContact CB-CG2 4.29Å; I466-V473 HydrophobicContact CG1-CG2 3.79Å
474E82.8Confident83.8Confident72 Ų7291.7 Ų91.734%0.33649%0.494SS..  trans-79135.2178.5-75.3172179.800110.4N467 T470 H472N467-E474 HydrophobicContact CB-CG 4.31Å; N467-E474 PolarHBondContact ND2-OE1 3.25Å; N467-E474 PolarHBondContact ND2-OE2 3.06Å; T470-E474 WeakPolarHBondContact CB-OE1 3.44Å; T470-E474 WeakPolarHBondContact CG2-OE1 3.39Å; T470-E474 PolarHBondContact OG1-OE1 3.2Å; H472-E474 WeakPolarHBondContact CE1-CG 3.39Å; H472-E474 IonicContact CE1-OE1 3.81Å; H472-E474 PolarHBondContact O-N 2.94Å
475E79.8Confident83.9Confident174 Ų17490.1 Ų90.181%0.81348%0.482SS*.  trans-66137.9167.5-67.2-174.3171.900108.9M477E475-M477 PolarHBondContact O-N 3.22Å
476P75.4Confident84Confident131 Ų13189.5 Ų89.585%0.85148%0.481SS*.  trans-57112.5178.5-2029.7000109.8
477M71.6Confident84Confident161 Ų16195.7 Ų95.779%0.79351%0.51SS*.PPolyproline II helixtrans-73.1142.9173.2-69.4-168.9-66.600109.4E475 N479E475-M477 PolarHBondContact O-N 3.22Å; M477-N479 PolarHBondContact O-N 2.74Å
478P78.6Confident83.9Confident113 Ų11398.3 Ų98.373%0.73452%0.52SS*.PPolyproline II helixtrans-54.6133.9171.1-19.830.1000109.4P480P478-P480 VanDerWaalsContact O-CD 3.25Å; P478-P480 WeakPolarHBondContact O-CD 3.44Å
479N76.8Confident84Confident72 Ų7296.5 Ų96.539%0.38550%0.503SS..PPolyproline II helixtrans-71.6117.2-177.7-173-2.9000109.4M477 I481 E482M477-N479 PolarHBondContact O-N 2.74Å; N479-I481 PolarHBondContact O-N 3.21Å; N479-I481 WeakPolarHBondContact OD1-CG1 3.45Å; N479-I481 PolarHBondContact OD1-N 3.15Å; N479-E482 HydrophobicContact CB-CB 4.25Å; N479-E482 HydrophobicContact CB-CG 3.73Å; N479-E482 WeakPolarHBondContact O-CB 3.37Å; N479-E482 PolarHBondContact O-N 3.34Å
480P77.1Confident84.1Confident117 Ų11798.3 Ų98.376%0.7651%0.509SS*.THydrogen-bonded Turntrans-62.2-20.6-174.6-21.432.5000113.8P478P478-P480 VanDerWaalsContact O-CD 3.25Å; P478-P480 WeakPolarHBondContact O-CD 3.44Å
481I82.1Confident84.3Confident77 Ų77104.1 Ų104.140%0.39553%0.529SS..THydrogen-bonded Turntrans-96.10.7-179.561159.4000113.3N479 E483 M484 K489N479-I481 PolarHBondContact O-N 3.21Å; N479-I481 WeakPolarHBondContact OD1-CG1 3.45Å; N479-I481 PolarHBondContact OD1-N 3.15Å; I481-E483 VanDerWaalsContact C-N 3.29Å; I481-E483 PolarHBondContact O-N 3.38Å; I481-M484 HydrophobicContact CB-SD 4.38Å; I481-M484 HydrophobicContact CG2-SD 3.96Å; I481-M484 PolarHBondContact O-N 3.05Å; I481-K489 HydrophobicContact CB-CG 4.46Å; I481-K489 WeakPolarHBondContact O-CE 3.35Å
482E80.3Confident84.4Confident144 Ų144107.2 Ų107.267%0.67354%0.541SS*.THydrogen-bonded Turntrans-65.6-32.1177.7-96.7168.6-165.800112.5N479N479-E482 HydrophobicContact CB-CB 4.25Å; N479-E482 HydrophobicContact CB-CG 3.73Å; N479-E482 WeakPolarHBondContact O-CB 3.37Å; N479-E482 PolarHBondContact O-N 3.34Å
483E80.9Confident84.5Confident190 Ų190109 Ų10989%0.88856%0.559SS**THydrogen-bonded Turntrans-87.4-5.2178.3-61.8-173.6171.300113.3I481I481-E483 VanDerWaalsContact C-N 3.29Å; I481-E483 PolarHBondContact O-N 3.38Å
484M85.6Confident84.7Confident50 Ų50112.5 Ų112.525%0.24657%0.572CS.*SBendtrans-90.1140.2-177.7-66-179.468.700111.9I481 Q488 K489 E492I481-M484 HydrophobicContact CB-SD 4.38Å; I481-M484 HydrophobicContact CG2-SD 3.96Å; I481-M484 PolarHBondContact O-N 3.05Å; M484-Q488 HydrophobicContact CB-CB 4.24Å; M484-Q488 HydrophobicContact CE-CB 3.7Å; M484-Q488 WeakPolarHBondContact CE-O 3.03Å; M484-K489 HydrophobicContact CB-CG 3.98Å; M484-K489 WeakPolarHBondContact O-CE 3.41Å; M484-E492 HydrophobicContact CE-CB 4.22Å; M484-E492 HydrophobicContact CE-CG 3.76Å
485T90.3Very high85.2Confident69 Ų69113.6 Ų113.642%0.42358%0.576SS.*  trans-70158.5168.967.60000110.9E487 Q488 K489T485-E487 PolarHBondContact O-N 3.02Å; T485-Q488 WeakPolarHBondContact O-CB 3.31Å; T485-Q488 PolarHBondContact O-N 3.15Å; T485-Q488 VanDerWaalsContact OG1-CG 3.3Å; T485-Q488 WeakPolarHBondContact OG1-CG 3.47Å; T485-Q488 PolarHBondContact OG1-N 2.92Å; T485-K489 WeakPolarHBondContact O-CG 3.23Å; T485-K489 PolarHBondContact O-N 3.39Å
486E89.8Confident85.8Confident135 Ų135109.8 Ų109.863%0.63156%0.56SS**Hα-helixtrans-57.1-38.7177-69.6-56.8126.200112.4Q488 K489 E490E486-Q488 VanDerWaalsContact C-N 3.33Å; E486-Q488 PolarHBondContact O-N 2.87Å; E486-K489 WeakPolarHBondContact O-CB 3.41Å; E486-K489 PolarHBondContact O-N 2.97Å; E486-K489 IonicContact OE1-NZ 2.82Å; E486-K489 PolarHBondContact OE1-NZ 3.49Å; E486-E490 PolarHBondContact O-N 3.44Å
487E89.5Confident86.6Confident155 Ų155106.2 Ų106.272%0.72454%0.542SS*.Hα-helixtrans-62.1-39.3175.5-64.3158.9175.300111.9T485 Y491T485-E487 PolarHBondContact O-N 3.02Å; E487-Y491 WeakPolarHBondContact O-CB 3.47Å; E487-Y491 PolarHBondContact O-N 3.18Å
488Q88.6Confident87.6Confident96 Ų96103.1 Ų103.145%0.44953%0.529SS..Hα-helixtrans-70.2-37176.4-72.5172.1-2000111.8M484 T485 E486 Y491 E492M484-Q488 HydrophobicContact CB-CB 4.24Å; M484-Q488 HydrophobicContact CE-CB 3.7Å; M484-Q488 WeakPolarHBondContact CE-O 3.03Å; T485-Q488 WeakPolarHBondContact O-CB 3.31Å; T485-Q488 PolarHBondContact O-N 3.15Å; T485-Q488 VanDerWaalsContact OG1-CG 3.3Å; T485-Q488 WeakPolarHBondContact OG1-CG 3.47Å; T485-Q488 PolarHBondContact OG1-N 2.92Å; E486-Q488 VanDerWaalsContact C-N 3.33Å; E486-Q488 PolarHBondContact O-N 2.87Å; Q488-Y491 PolarHBondContact O-N 3.32Å; Q488-E492 PolarHBondContact O-N 3.33Å
489K89.8Confident88.2Confident59 Ų59102.5 Ų102.526%0.25752%0.517SS..Hα-helixtrans-63.4-45.3175.3-67.9175.2-169.5169.50110.9I481 M484 T485 E486 E492 A493I481-K489 HydrophobicContact CB-CG 4.46Å; I481-K489 WeakPolarHBondContact O-CE 3.35Å; M484-K489 HydrophobicContact CB-CG 3.98Å; M484-K489 WeakPolarHBondContact O-CE 3.41Å; T485-K489 WeakPolarHBondContact O-CG 3.23Å; T485-K489 PolarHBondContact O-N 3.39Å; E486-K489 WeakPolarHBondContact O-CB 3.41Å; E486-K489 PolarHBondContact O-N 2.97Å; E486-K489 IonicContact OE1-NZ 2.82Å; E486-K489 PolarHBondContact OE1-NZ 3.49Å; K489-E492 PolarHBondContact O-N 3.01Å; K489-A493 VanDerWaalsContact O-CB 3.26Å; K489-A493 WeakPolarHBondContact O-CB 3.48Å; K489-A493 PolarHBondContact O-N 2.9Å
490E90.4Very high88.8Confident144 Ų144104.8 Ų104.867%0.67352%0.524SS*.Hα-helixtrans-62.6-45.1177.5-171.1171.6-166.800111.3E486 A493 E494E486-E490 PolarHBondContact O-N 3.44Å; E490-A493 PolarHBondContact O-N 3.48Å; E490-E494 PolarHBondContact O-N 2.67Å
491Y91.6Very high89.4Confident149 Ų149102.4 Ų102.458%0.58451%0.505SS*.Hα-helixtrans-60.3-47.5177.2-179.4-97.9000113.1E487 Q488 A493 E494 K495E487-Y491 WeakPolarHBondContact O-CB 3.47Å; E487-Y491 PolarHBondContact O-N 3.18Å; Q488-Y491 PolarHBondContact O-N 3.32Å; Y491-A493 VanDerWaalsContact C-N 3.35Å; Y491-E494 PolarHBondContact O-N 3.3Å; Y491-K495 HydrophobicContact CE1-CD 4.32Å; Y491-K495 WeakPolarHBondContact O-CB 3.37Å; Y491-K495 PolarHBondContact O-N 3.19Å
492E91.3Very high89.8Confident76 Ų76104.8 Ų104.836%0.35551%0.512SS..Hα-helixtrans-69-33.6177.7-74.1-63.214900111.9M484 Q488 K489 K495 L496M484-E492 HydrophobicContact CE-CB 4.22Å; M484-E492 HydrophobicContact CE-CG 3.76Å; Q488-E492 PolarHBondContact O-N 3.33Å; K489-E492 PolarHBondContact O-N 3.01Å; E492-K495 VanDerWaalsContact CD-NZ 3.31Å; E492-K495 PolarHBondContact O-N 3.46Å; E492-K495 IonicContact OE1-NZ 3.71Å; E492-K495 PolarHBondContact OE1-NZ 3.18Å; E492-K495 IonicContact OE2-NZ 3.78Å; E492-K495 PolarHBondContact OE2-NZ 2.85Å; E492-L496 WeakPolarHBondContact O-CB 3.47Å; E492-L496 PolarHBondContact O-N 2.62Å
493A92.2Very high90.4Very high58 Ų58100.7 Ų100.748%0.47950%0.495SS..Hα-helixtrans-63.6-44.717400000112.1K489 E490 Y491 L496 A497K489-A493 VanDerWaalsContact O-CB 3.26Å; K489-A493 WeakPolarHBondContact O-CB 3.48Å; K489-A493 PolarHBondContact O-N 2.9Å; E490-A493 PolarHBondContact O-N 3.48Å; Y491-A493 VanDerWaalsContact C-N 3.35Å; A493-L496 PolarHBondContact O-N 3.15Å; A493-A497 WeakPolarHBondContact O-CB 3.46Å; A493-A497 PolarHBondContact O-N 3.31Å
494E93.9Very high90.7Very high121 Ų12194.2 Ų94.257%0.56547%0.47SS*.Hα-helixtrans-63.9-43177.1-170.1-176.7-177.200111.3E490 Y491 L496 A497 N498E490-E494 PolarHBondContact O-N 2.67Å; Y491-E494 PolarHBondContact O-N 3.3Å; E494-L496 VanDerWaalsContact C-N 3.34Å; E494-L496 PolarHBondContact O-N 2.93Å; E494-A497 PolarHBondContact O-N 3.31Å; E494-N498 WeakPolarHBondContact O-CB 3.44Å; E494-N498 PolarHBondContact O-N 2.86Å; E494-N498 PolarHBondContact O-ND2 3.49Å; E494-N498 VanDerWaalsContact O-ND2 3.15Å
495K93.6Very high90.9Very high95 Ų95100.9 Ų100.941%0.41349%0.493SS..Hα-helixtrans-61.6-41.7175.6179.9178.5161.1-147.60112.1Y491 E492 M499Y491-K495 HydrophobicContact CE1-CD 4.32Å; Y491-K495 WeakPolarHBondContact O-CB 3.37Å; Y491-K495 PolarHBondContact O-N 3.19Å; E492-K495 VanDerWaalsContact CD-NZ 3.31Å; E492-K495 PolarHBondContact O-N 3.46Å; E492-K495 IonicContact OE1-NZ 3.71Å; E492-K495 PolarHBondContact OE1-NZ 3.18Å; E492-K495 IonicContact OE2-NZ 3.78Å; E492-K495 PolarHBondContact OE2-NZ 2.85Å; K495-M499 WeakPolarHBondContact O-CB 3.4Å; K495-M499 PolarHBondContact O-N 3.13Å
496L92.4Very high90.9Very high93 Ų93103.3 Ų103.349%0.48750%0.499SS..Hα-helixtrans-67.2-42.7177.6-164.4128.8000110.9E492 A493 E494 M499 F500E492-L496 WeakPolarHBondContact O-CB 3.47Å; E492-L496 PolarHBondContact O-N 2.62Å; A493-L496 PolarHBondContact O-N 3.15Å; E494-L496 VanDerWaalsContact C-N 3.34Å; E494-L496 PolarHBondContact O-N 2.93Å; L496-M499 WeakPolarHBondContact O-CB 3.35Å; L496-M499 PolarHBondContact O-N 2.86Å; L496-F500 HydrophobicContact CD2-CD2 3.74Å; L496-F500 HydrophobicContact CD2-CE2 3.46Å; L496-F500 VanDerWaalsContact CD2-CE2 3.46Å; L496-F500 HydrophobicContact CG-CD2 4.14Å; L496-F500 HydrophobicContact CG-CE2 3.96Å; L496-F500 VanDerWaalsContact O-CD2 3.28Å; L496-F500 WeakPolarHBondContact O-CD2 3.43Å; L496-F500 PolarHBondContact O-N 3.37Å
497A92.5Very high90.7Very high57 Ų57103.6 Ų103.647%0.47151%0.505SS..Hα-helixtrans-60.8-47174.500000112.4A493 E494 M499 F500 D501A493-A497 WeakPolarHBondContact O-CB 3.46Å; A493-A497 PolarHBondContact O-N 3.31Å; E494-A497 PolarHBondContact O-N 3.31Å; A497-M499 PolarHBondContact O-N 3.36Å; A497-F500 PolarHBondContact O-N 3.38Å; A497-D501 PolarHBondContact O-N 3.18Å
498N93Very high90.6Very high95 Ų95100.6 Ų100.651%0.50850%0.497SS..Hα-helixtrans-60.2-35.7175.9-77.4-37.5000112.2E494 K502E494-N498 WeakPolarHBondContact O-CB 3.44Å; E494-N498 PolarHBondContact O-N 2.86Å; E494-N498 PolarHBondContact O-ND2 3.49Å; E494-N498 VanDerWaalsContact O-ND2 3.15Å; N498-K502 WeakPolarHBondContact O-CB 3.35Å; N498-K502 PolarHBondContact O-N 3.37Å
499M91.6Very high90.5Very high101 Ų10199 Ų9950%0.49849%0.491SS..Hα-helixtrans-71.6-41.9176.8-175157.437.100112.2K495 L496 A497 K502 L503K495-M499 WeakPolarHBondContact O-CB 3.4Å; K495-M499 PolarHBondContact O-N 3.13Å; L496-M499 WeakPolarHBondContact O-CB 3.35Å; L496-M499 PolarHBondContact O-N 2.86Å; A497-M499 PolarHBondContact O-N 3.36Å; M499-K502 PolarHBondContact O-N 3Å; M499-L503 HydrophobicContact CG-CD1 4.35Å; M499-L503 VanDerWaalsContact O-CG 3.29Å; M499-L503 WeakPolarHBondContact O-CG 3.48Å; M499-L503 PolarHBondContact O-N 3.17Å
500F88.9Confident90.3Very high119 Ų119103.4 Ų103.452%0.52251%0.506SS..Hα-helixtrans-61.3-45.7172.5-88.6-72.4000112.3L496 A497 K502 L503 S504 I509L496-F500 HydrophobicContact CD2-CD2 3.74Å; L496-F500 HydrophobicContact CD2-CE2 3.46Å; L496-F500 VanDerWaalsContact CD2-CE2 3.46Å; L496-F500 HydrophobicContact CG-CD2 4.14Å; L496-F500 HydrophobicContact CG-CE2 3.96Å; L496-F500 VanDerWaalsContact O-CD2 3.28Å; L496-F500 WeakPolarHBondContact O-CD2 3.43Å; L496-F500 PolarHBondContact O-N 3.37Å; A497-F500 PolarHBondContact O-N 3.38Å; F500-K502 VanDerWaalsContact C-N 3.35Å; F500-K502 PolarHBondContact O-N 3.35Å; F500-L503 PolarHBondContact O-N 3.15Å; F500-S504 VanDerWaalsContact O-CB 3.3Å; F500-S504 WeakPolarHBondContact O-CB 3.08Å; F500-S504 PolarHBondContact O-N 2.77Å; F500-I509 HydrophobicContact CD1-CD1 3.58Å; F500-I509 HydrophobicContact CE1-CD1 4.08Å
501D88.9Confident90.1Very high67 Ų6799.5 Ų99.536%0.35849%0.493SS..Hα-helixtrans-60.2-44.3176.6175.570.9000111.2A497 L503 S504 R505A497-D501 PolarHBondContact O-N 3.18Å; D501-L503 PolarHBondContact O-N 3.4Å; D501-S504 PolarHBondContact O-N 2.75Å; D501-R505 VanDerWaalsContact CG-NE 3.25Å; D501-R505 WeakPolarHBondContact O-CB 3.5Å; D501-R505 VanDerWaalsContact O-CG 3.31Å; D501-R505 WeakPolarHBondContact O-CG 3.45Å; D501-R505 PolarHBondContact O-N 3.05Å; D501-R505 IonicContact OD1-CZ 3.37Å; D501-R505 VanDerWaalsContact OD1-CZ 3.31Å; D501-R505 IonicContact OD1-NE 2.76Å; D501-R505 PolarHBondContact OD1-NE 3.43Å; D501-R505 IonicContact OD1-NH2 2.82Å; D501-R505 PolarHBondContact OD1-NH2 3.41Å; D501-R505 IonicContact OD2-CZ 4Å; D501-R505 IonicContact OD2-NE 2.85Å; D501-R505 PolarHBondContact OD2-NE 3.41Å; D501-R505 IonicContact OD2-NH1 2.98Å; D501-R505 IonicContact OD2-NH2 3.31Å; D501-R505 PolarHBondContact OD2-NH2 2.99Å
502K91.8Very high89.9Confident128 Ų12896.9 Ų96.956%0.55749%0.488SS*.Hα-helixtrans-61.3-45.9176.6-173.7178.4178.8-178.20112.5N498 M499 F500 Q506N498-K502 WeakPolarHBondContact O-CB 3.35Å; N498-K502 PolarHBondContact O-N 3.37Å; M499-K502 PolarHBondContact O-N 3Å; F500-K502 VanDerWaalsContact C-N 3.35Å; F500-K502 PolarHBondContact O-N 3.35Å; K502-Q506 WeakPolarHBondContact O-CB 3.44Å; K502-Q506 VanDerWaalsContact O-CG 3.29Å; K502-Q506 WeakPolarHBondContact O-CG 3.18Å; K502-Q506 PolarHBondContact O-N 2.63Å; K502-Q506 VanDerWaalsContact O-N 3.13Å
503L91.5Very high89.7Confident58 Ų5893.7 Ų93.730%0.30448%0.475SS..Hα-helixtrans-66.1-39179-70.5171000111.8M499 F500 D501 Q506 N507 V508 I509M499-L503 HydrophobicContact CG-CD1 4.35Å; M499-L503 VanDerWaalsContact O-CG 3.29Å; M499-L503 WeakPolarHBondContact O-CG 3.48Å; M499-L503 PolarHBondContact O-N 3.17Å; F500-L503 PolarHBondContact O-N 3.15Å; D501-L503 PolarHBondContact O-N 3.4Å; L503-Q506 PolarHBondContact O-N 2.92Å; L503-N507 PolarHBondContact O-N 2.99Å; L503-V508 HydrophobicContact CB-CB 4.45Å; L503-V508 HydrophobicContact CD2-CB 4.01Å; L503-V508 HydrophobicContact CD2-CG1 3.9Å; L503-V508 HydrophobicContact CD2-CG2 4.38Å; L503-V508 PolarHBondContact O-N 3.43Å; L503-I509 HydrophobicContact CB-CD1 3.67Å; L503-I509 HydrophobicContact CB-CG1 3.78Å; L503-I509 HydrophobicContact CB-CG2 4.42Å; L503-I509 HydrophobicContact CD1-CD1 4.31Å; L503-I509 PolarHBondContact O-N 2.97Å
504S87.3Confident89.5Confident53 Ų5394 Ų9437%0.37147%0.471SS..Hα-helixtrans-65.1-49.1176.4-175.90000111.4F500 D501 Q506 N507F500-S504 VanDerWaalsContact O-CB 3.3Å; F500-S504 WeakPolarHBondContact O-CB 3.08Å; F500-S504 PolarHBondContact O-N 2.77Å; D501-S504 PolarHBondContact O-N 2.75Å; S504-Q506 PolarHBondContact O-N 2.83Å; S504-N507 WeakPolarHBondContact O-CA 3.33Å; S504-N507 PolarHBondContact O-N 2.97Å
505R89.3Confident89.1Confident191 Ų19192.3 Ų92.372%0.72146%0.459SS*.Hα-helixtrans-62.6-28.6178-72-179.5-168.1-170.510.7113.7D501 N507D501-R505 VanDerWaalsContact CG-NE 3.25Å; D501-R505 WeakPolarHBondContact O-CB 3.5Å; D501-R505 VanDerWaalsContact O-CG 3.31Å; D501-R505 WeakPolarHBondContact O-CG 3.45Å; D501-R505 PolarHBondContact O-N 3.05Å; D501-R505 IonicContact OD1-CZ 3.37Å; D501-R505 VanDerWaalsContact OD1-CZ 3.31Å; D501-R505 IonicContact OD1-NE 2.76Å; D501-R505 PolarHBondContact OD1-NE 3.43Å; D501-R505 IonicContact OD1-NH2 2.82Å; D501-R505 PolarHBondContact OD1-NH2 3.41Å; D501-R505 IonicContact OD2-CZ 4Å; D501-R505 IonicContact OD2-NE 2.85Å; D501-R505 PolarHBondContact OD2-NE 3.41Å; D501-R505 IonicContact OD2-NH1 2.98Å; D501-R505 IonicContact OD2-NH2 3.31Å; D501-R505 PolarHBondContact OD2-NH2 2.99Å; R505-N507 VanDerWaalsContact C-N 3.27Å
506Q91.8Very high88.6Confident120 Ų12093.4 Ų93.456%0.56148%0.476SS*.THydrogen-bonded Turntrans-85.53.6175.5-68.6-178-15.400113.1K502 L503 S504 V508K502-Q506 WeakPolarHBondContact O-CB 3.44Å; K502-Q506 VanDerWaalsContact O-CG 3.29Å; K502-Q506 WeakPolarHBondContact O-CG 3.18Å; K502-Q506 PolarHBondContact O-N 2.63Å; K502-Q506 VanDerWaalsContact O-N 3.13Å; L503-Q506 PolarHBondContact O-N 2.92Å; S504-Q506 PolarHBondContact O-N 2.83Å; Q506-V508 HydrophobicContact CB-CG2 3.86Å; Q506-V508 PolarHBondContact O-N 3.49Å
507N83.9Confident88Confident140 Ų14093.6 Ų93.675%0.74948%0.478SS*.THydrogen-bonded Turntrans5428.3-174.5-66.2-49.4000113.6L503 S504 R505L503-N507 PolarHBondContact O-N 2.99Å; S504-N507 WeakPolarHBondContact O-CA 3.33Å; S504-N507 PolarHBondContact O-N 2.97Å; R505-N507 VanDerWaalsContact C-N 3.27Å
508V87.8Confident87.5Confident93 Ų9391 Ų9156%0.56446%0.456SS*.SBendtrans-77.6-35.8175.4179.70000110.2L503 Q506L503-V508 HydrophobicContact CB-CB 4.45Å; L503-V508 HydrophobicContact CD2-CB 4.01Å; L503-V508 HydrophobicContact CD2-CG1 3.9Å; L503-V508 HydrophobicContact CD2-CG2 4.38Å; L503-V508 PolarHBondContact O-N 3.43Å; Q506-V508 HydrophobicContact CB-CG2 3.86Å; Q506-V508 PolarHBondContact O-N 3.49Å
509I87.3Confident87.1Confident62 Ų6289.1 Ų89.132%0.31845%0.448SS..  trans-124.7142.9174.165.3-179.3000109.2F500 L503F500-I509 HydrophobicContact CD1-CD1 3.58Å; F500-I509 HydrophobicContact CE1-CD1 4.08Å; L503-I509 HydrophobicContact CB-CD1 3.67Å; L503-I509 HydrophobicContact CB-CG1 3.78Å; L503-I509 HydrophobicContact CB-CG2 4.42Å; L503-I509 HydrophobicContact CD1-CD1 4.31Å; L503-I509 PolarHBondContact O-N 2.97Å
510R85.4Confident86.9Confident151 Ų15188.3 Ų88.357%0.5745%0.446SS*.  trans-133.3125173-170.4173.8-174.7-178.4-1.2109.2M512 P522 E524R510-M512 PolarHBondContact O-N 3.37Å; R510-P522 VanDerWaalsContact NH2-CB 3.27Å; R510-E524 IonicContact NH2-OE2 2.8Å
511P85.8Confident86.9Confident63 Ų6382.8 Ų82.841%0.40942%0.422SS..  trans-60.9130.6172.9-22.934.3000111L523P511-L523 HydrophobicContact CB-CB 3.88Å; P511-L523 HydrophobicContact CB-CD2 4.03Å; P511-L523 PolarHBondContact O-N 3.46Å
512M87.6Confident86.9Confident94 Ų9480.3 Ų80.346%0.46341%0.409SS..EExtended strand (participates in β ladder)trans-118.4141.8177.8-58.6-63.9-72.200109.3R510 L520 A521 P522R510-M512 PolarHBondContact O-N 3.37Å; M512-L520 HydrophobicContact CE-CB 4.16Å; M512-A521 CarbonylContact C-O 3.49Å; M512-A521 WeakPolarHBondContact CA-O 3.42Å; M512-A521 VanDerWaalsContact CE-C 3.4Å; M512-P522 HydrophobicContact SD-CG 4.42Å
513G86.9Confident86.6Confident9 Ų977.5 Ų77.59%0.09340%0.4CS..EExtended strand (participates in β ladder)trans-110.9161.1168.700000111.5A521G513-A521 PolarHBondContact N-O 3.29Å; G513-A521 PolarHBondContact O-N 3.17Å; G513-A521 VanDerWaalsContact O-O 3.12Å
514V87.4Confident86.3Confident64 Ų6479.4 Ų79.439%0.38841%0.407SS..EExtended strand (participates in β ladder)trans-94.1125.6171.5-177.70000108.2L439 A440 L520L439-V514 HydrophobicContact CB-CG1 3.68Å; L439-V514 HydrophobicContact CB-CG2 3.95Å; L439-V514 HydrophobicContact CD1-CG2 4.38Å; A440-V514 HydrophobicContact CB-CG1 4.01Å; V514-L520 HydrophobicContact CG2-CD2 3.95Å
515R86.4Confident86.1Confident85 Ų8580.5 Ų80.532%0.32141%0.407SS..  trans-76.4163.7175.1-76.1-177.5178.9168.95.8111D517 G518 T519 A521 E525 T526R515-D517 WeakPolarHBondContact CB-OD1 3.24Å; R515-D517 PolarHBondContact O-N 2.95Å; R515-G518 WeakPolarHBondContact O-CA 3.19Å; R515-G518 PolarHBondContact O-N 3.19Å; R515-T519 PolarHBondContact N-O 2.95Å; R515-A521 HydrophobicContact CG-CB 4.01Å; R515-E525 IonicContact CZ-OE2 3.99Å; R515-E525 IonicContact NH2-OE2 3.54Å; R515-E525 PolarHBondContact NH2-OE2 3.03Å; R515-T526 HydrophobicContact CG-CG2 3.85Å
516P82.4Confident85.7Confident118 Ų11872.4 Ų72.477%0.76638%0.378SS*.THydrogen-bonded Turntrans-58.5-26.4175.4-24.734.8000114.1G518P516-G518 PolarHBondContact O-N 3.49Å
517D80.6Confident85Confident97 Ų9771.6 Ų71.652%0.51938%0.377SS..THydrogen-bonded Turntrans-805.1173.667.43.6000113.3R515 T519R515-D517 WeakPolarHBondContact CB-OD1 3.24Å; R515-D517 PolarHBondContact O-N 2.95Å; D517-T519 PolarHBondContact O-N 2.9Å; D517-T519 WeakPolarHBondContact OD1-CB 3.16Å; D517-T519 PolarHBondContact OD1-N 3.25Å; D517-T519 PolarHBondContact OD1-OG1 3.41Å; D517-T519 PolarHBondContact OD2-OG1 3.37Å
518G81.6Confident84.1Confident2 Ų271.7 Ų71.72%0.02138%0.377CS..SBendtrans72.96.5179.500000115.5G437 R515 P516G437-G518 VanDerWaalsContact O-CA 3.31Å; G437-G518 WeakPolarHBondContact O-CA 3.48Å; R515-G518 WeakPolarHBondContact O-CA 3.19Å; R515-G518 PolarHBondContact O-N 3.19Å; P516-G518 PolarHBondContact O-N 3.49Å
519T85.5Confident82.4Confident56 Ų5671.2 Ų71.234%0.34438%0.376SS..  trans-83.2156174.367.30000112.2R515 D517R515-T519 PolarHBondContact N-O 2.95Å; D517-T519 PolarHBondContact O-N 2.9Å; D517-T519 WeakPolarHBondContact OD1-CB 3.16Å; D517-T519 PolarHBondContact OD1-N 3.25Å; D517-T519 PolarHBondContact OD1-OG1 3.41Å; D517-T519 PolarHBondContact OD2-OG1 3.37Å
520L86.4Confident80.6Confident85 Ų8577.4 Ų77.445%0.44540%0.396SS..EExtended strand (participates in β ladder)trans-89.3130.6176-71.6170.7000110.8V434 L439 M512 V514V434-L520 HydrophobicContact CG2-CD1 4.41Å; L439-L520 HydrophobicContact CD1-CD1 3.93Å; L439-L520 HydrophobicContact CD1-CD2 3.72Å; L439-L520 HydrophobicContact CD1-CG 3.51Å; M512-L520 HydrophobicContact CE-CB 4.16Å; V514-L520 HydrophobicContact CG2-CD2 3.95Å
521A88.6Confident78.6Confident3 Ų375.7 Ų75.73%0.02540%0.404CS..EExtended strand (participates in β ladder)trans-138.6160.6172.700000110.8M512 G513 R515 L523 T526M512-A521 CarbonylContact C-O 3.49Å; M512-A521 WeakPolarHBondContact CA-O 3.42Å; M512-A521 VanDerWaalsContact CE-C 3.4Å; G513-A521 PolarHBondContact N-O 3.29Å; G513-A521 PolarHBondContact O-N 3.17Å; G513-A521 VanDerWaalsContact O-O 3.12Å; R515-A521 HydrophobicContact CG-CB 4.01Å; A521-L523 PolarHBondContact O-N 3.14Å; A521-T526 HydrophobicContact CB-CG2 3.94Å
522P89.1Confident76.5Confident14 Ų1481.3 Ų81.39%0.09143%0.425CS..EExtended strand (participates in β ladder)trans-49.7138.6172-28.336.9000111.7R510 M512 E524 E525 T526R510-P522 VanDerWaalsContact NH2-CB 3.27Å; M512-P522 HydrophobicContact SD-CG 4.42Å; P522-E524 VanDerWaalsContact CB-OE2 3.27Å; P522-E524 WeakPolarHBondContact CB-OE2 3.43Å; P522-E524 PolarHBondContact O-N 3.3Å; P522-E524 VanDerWaalsContact O-N 3.12Å; P522-E525 HydrophobicContact CB-CG 4.29Å; P522-E525 WeakPolarHBondContact CG-OE1 3.49Å; P522-E525 WeakPolarHBondContact O-CB 3.43Å; P522-E525 PolarHBondContact O-N 3.21Å; P522-T526 PolarHBondContact O-N 3.48Å
523L86.1Confident74.3Confident69 Ų6985.5 Ų85.536%0.36144%0.443SS..Hα-helixtrans-55.1-37.2-173.4-175.865.8000111.6P511 A521 E525 T526 L527P511-L523 HydrophobicContact CB-CB 3.88Å; P511-L523 HydrophobicContact CB-CD2 4.03Å; P511-L523 PolarHBondContact O-N 3.46Å; A521-L523 PolarHBondContact O-N 3.14Å; L523-E525 VanDerWaalsContact C-N 3.28Å; L523-E525 PolarHBondContact O-N 3.15Å; L523-T526 WeakPolarHBondContact CA-OG1 3.33Å; L523-T526 PolarHBondContact O-N 3.27Å; L523-T526 VanDerWaalsContact O-N 3.16Å; L523-T526 PolarHBondContact O-OG1 3.39Å; L523-L527 HydrophobicContact CG-CD1 4.03Å; L523-L527 HydrophobicContact CG-CG 4.41Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.31Å; L523-L527 VanDerWaalsContact O-N 3.08Å
524E84.5Confident72Confident98 Ų9892.8 Ų92.846%0.45848%0.48SS..Hα-helixtrans-59-39.8178.9-52.781-163.800112.1R510 P522 I528R510-E524 IonicContact NH2-OE2 2.8Å; P522-E524 VanDerWaalsContact CB-OE2 3.27Å; P522-E524 WeakPolarHBondContact CB-OE2 3.43Å; P522-E524 PolarHBondContact O-N 3.3Å; P522-E524 VanDerWaalsContact O-N 3.12Å; E524-I528 WeakPolarHBondContact O-CD1 3.3Å; E524-I528 VanDerWaalsContact O-CG1 3.3Å; E524-I528 WeakPolarHBondContact O-CG1 3.43Å; E524-I528 PolarHBondContact O-N 2.68Å
525E84.4Confident69.9Low77 Ų7794.7 Ų94.736%0.3650%0.497SS..Hα-helixtrans-71.9-35.4179.1-62.7175.7-157.600111.8R515 P522 L523 L527R515-E525 IonicContact CZ-OE2 3.99Å; R515-E525 IonicContact NH2-OE2 3.54Å; R515-E525 PolarHBondContact NH2-OE2 3.03Å; P522-E525 HydrophobicContact CB-CG 4.29Å; P522-E525 WeakPolarHBondContact CG-OE1 3.49Å; P522-E525 WeakPolarHBondContact O-CB 3.43Å; P522-E525 PolarHBondContact O-N 3.21Å; L523-E525 VanDerWaalsContact C-N 3.28Å; L523-E525 PolarHBondContact O-N 3.15Å; E525-L527 VanDerWaalsContact C-N 3.33Å
526T80.6Confident67.7Low20 Ų2097.6 Ų97.612%0.12352%0.518CS..Hα-helixtrans-72.6-27.117961.70000113.3R515 A521 P522 L523R515-T526 HydrophobicContact CG-CG2 3.85Å; A521-T526 HydrophobicContact CB-CG2 3.94Å; P522-T526 PolarHBondContact O-N 3.48Å; L523-T526 WeakPolarHBondContact CA-OG1 3.33Å; L523-T526 PolarHBondContact O-N 3.27Å; L523-T526 VanDerWaalsContact O-N 3.16Å; L523-T526 PolarHBondContact O-OG1 3.39Å
527L76.3Confident65.5Low103 Ų10398.1 Ų98.154%0.53952%0.52SS..Hα-helixtrans-75.1-32.7177-70.2168.4000112.2L523 E525 C529L523-L527 HydrophobicContact CG-CD1 4.03Å; L523-L527 HydrophobicContact CG-CG 4.41Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.31Å; L523-L527 VanDerWaalsContact O-N 3.08Å; E525-L527 VanDerWaalsContact C-N 3.33Å; L527-C529 VanDerWaalsContact C-N 3.35Å
528I65.4Low63.6Low143 Ų143101.8 Ų101.873%0.73354%0.539SS*.Hα-helixtrans-73.2-27.5179.6-63.4163.2000111.8E524 R530E524-I528 WeakPolarHBondContact O-CD1 3.3Å; E524-I528 VanDerWaalsContact O-CG1 3.3Å; E524-I528 WeakPolarHBondContact O-CG1 3.43Å; E524-I528 PolarHBondContact O-N 2.68Å; I528-R530 VanDerWaalsContact C-N 3.34Å; I528-R530 PolarHBondContact O-N 2.8Å
529C53.3Low61.8Low82 Ų82106.4 Ų106.455%0.55457%0.571SS**THydrogen-bonded Turntrans-85.36.7-177.9-73.70000115.2L527 P531L527-C529 VanDerWaalsContact C-N 3.35Å; C529-P531 VanDerWaalsContact O-CD 3.3Å; C529-P531 WeakPolarHBondContact O-CD 3.5Å
530R48.9Very low59.5Low192 Ų192115.4 Ų115.473%0.72562%0.617SS**SBendtrans-78.9113.2167.8-71-173.5176.7-173.5-1.8107.6I528 E532I528-R530 VanDerWaalsContact C-N 3.34Å; I528-R530 PolarHBondContact O-N 2.8Å; R530-E532 PolarHBondContact O-N 2.69Å
531P44Very low58.2Low116 Ų116116.9 Ų116.975%0.75363%0.626SS**PPolyproline II helixtrans-58.3129.2168.325.6-30.1000106.7C529 E533C529-P531 VanDerWaalsContact O-CD 3.3Å; C529-P531 WeakPolarHBondContact O-CD 3.5Å; P531-E533 PolarHBondContact O-N 3.27Å
532E41.4Very low56.6Low181 Ų181122.9 Ų122.985%0.84666%0.657SS**PPolyproline II helixtrans-47.6118.8169.9-69.8179.5156.700107R530 N534R530-E532 PolarHBondContact O-N 2.69Å; E532-N534 PolarHBondContact O-N 3.01Å
533E41.5Very low54.8Low181 Ų181128.9 Ų128.985%0.84669%0.689SS**PPolyproline II helixtrans-52.4118.3163.8-74.5-179.6160.800105.5P531 S535P531-E533 PolarHBondContact O-N 3.27Å; E533-S535 PolarHBondContact O-N 2.89Å
534N36.9Very low52.9Low163 Ų163132.5 Ų132.587%0.87271%0.708SS**  trans-57.685.9173.7-77.1-30.8000108.3E532 D536E532-N534 PolarHBondContact O-N 3.01Å; N534-D536 VanDerWaalsContact C-N 3.28Å; N534-D536 PolarHBondContact O-N 3.36Å
535S43.6Very low50.9Low104 Ų104134.6 Ų134.673%0.72772%0.724SS**  trans-75.891.9153.248.10000105.4E533E533-S535 PolarHBondContact O-N 2.89Å
536D40.9Very low48.7Very low145 Ų145138.5 Ų138.578%0.77575%0.748SS**  trans168.7102.2145.7-83.4-19.9000109N534N534-D536 VanDerWaalsContact C-N 3.28Å; N534-D536 PolarHBondContact O-N 3.36Å
537T36.3Very low46.4Very low130 Ų130146.9 Ų146.980%0.79879%0.793SS**  -177.190.1108.938.70000109
538D41.1Very low44.1Very low173 Ų173150.3 Ų150.393%0.92581%0.812SS**  trans-78104.7138.7-96.7-24.4000106.3
539S43.3Very low42.4Very low99 Ų99150.9 Ų150.969%0.69282%0.819SS**  trans-160.9116.4151.9-190000110.2
540D37.2Very low41.4Very low245 Ų245157.2 Ų157.2100%1.3184%0.843SS**  trans72.20167.8-61.2-13.8000120.5

Retrieved 540 of 540 residues in 1986.5 ms (Link to these results)

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