A0A077ZKM3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZKM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 111 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
1M35.3Very low63.3Low227 Ų227115.5 Ų115.5100%1.11864%0.638SS**  0117.70-57.3-66.5-9900106.9Q3M1-Q3 PolarHBondContact O-N 3.06Å; M1-Q3 VanDerWaalsContact O-N 3.11Å
2P35.5Very low65.6Low129 Ų129108.5 Ų108.584%0.83860%0.595SS**  trans-58.6118167.7-13.327.5000106.8
3Q39Very low67.6Low167 Ų167101.4 Ų101.478%0.7856%0.556SS**  trans-53.6132.5166-89-81.118.300106.7M1 S5M1-Q3 PolarHBondContact O-N 3.06Å; M1-Q3 VanDerWaalsContact O-N 3.11Å; Q3-S5 PolarHBondContact O-N 2.9Å
4P44.9Very low69.4Low111 Ų111103.2 Ų103.272%0.72156%0.558SS**  trans-54.1112.7171.5-11.422.7000106S6P4-S6 PolarHBondContact O-N 3.02Å
5S53.8Low71Confident105 Ų105105.6 Ų105.673%0.73456%0.556SS**  trans-47.6128.5171.150.20000106.5Q3 E7Q3-S5 PolarHBondContact O-N 2.9Å; S5-E7 PolarHBondContact O-N 3.21Å
6S67.3Low72.6Confident112 Ų11299.4 Ų99.478%0.78352%0.523SS*.  trans-40.2115177.251.40000109P4 E8P4-S6 PolarHBondContact O-N 3.02Å; S6-E8 PolarHBondContact O-N 3.26Å
7E76.2Confident73.9Confident80 Ų8095 Ų9537%0.37450%0.499SS..  trans-51.9130.1178-178.5179.6-150.100107.9S5 W9 R15S5-E7 PolarHBondContact O-N 3.21Å; E7-W9 PolarHBondContact O-N 3.36Å; E7-R15 IonicContact OE1-CZ 2.66Å; E7-R15 IonicContact OE1-NE 3.48Å; E7-R15 PolarHBondContact OE1-NE 3.2Å; E7-R15 IonicContact OE1-NH2 3.07Å; E7-R15 IonicContact OE2-CZ 3.63Å; E7-R15 IonicContact OE2-NE 3.75Å; E7-R15 IonicContact OE2-NH2 3.25Å; E7-R15 PolarHBondContact OE2-NH2 3.13Å
8E82.2Confident75.1Confident121 Ų12194.4 Ų94.457%0.56550%0.503SS*.  trans-63.1140.3175.9-59.9178.1-170.200108.9S6 A10 Y11 Y12S6-E8 PolarHBondContact O-N 3.26Å; E8-A10 PolarHBondContact O-N 2.91Å; E8-Y11 HydrophobicContact CB-CD2 3.78Å; E8-Y11 HydrophobicContact CB-CE2 4.16Å; E8-Y11 HydrophobicContact CG-CD2 4.28Å; E8-Y11 HydrophobicContact CG-CE2 4.3Å; E8-Y11 PolarHBondContact O-N 3.03Å; E8-Y11 WeakPolarHBondContact OE2-CE2 3.23Å; E8-Y12 PolarHBondContact O-N 3.24Å
9W87Confident76.2Confident10 Ų1092.7 Ų92.74%0.03849%0.492CS..Hα-helixtrans-51.1-37.3-178169.2-107.7000113E7 Y11 Y12 I13 L39 V43 K69 I72 N73 Y76E7-W9 PolarHBondContact O-N 3.36Å; W9-Y11 PolarHBondContact O-N 2.92Å; W9-Y12 AromaticContact CE3-CD1 3.66Å; W9-Y12 HydrophobicContact CE3-CD1 3.66Å; W9-Y12 HydrophobicContact CE3-CE1 4.32Å; W9-Y12 HydrophobicContact CE3-CG 4.45Å; W9-Y12 HydrophobicContact CH2-CD1 4.26Å; W9-Y12 HydrophobicContact CH2-CE1 4.32Å; W9-Y12 AromaticContact CZ3-CD1 3.4Å; W9-Y12 HydrophobicContact CZ3-CD1 3.4Å; W9-Y12 AromaticContact CZ3-CE1 3.62Å; W9-Y12 HydrophobicContact CZ3-CE1 3.62Å; W9-Y12 PolarHBondContact O-N 2.94Å; W9-I13 HydrophobicContact CH2-CB 4.48Å; W9-I13 HydrophobicContact CH2-CD1 3.8Å; W9-I13 HydrophobicContact CH2-CG1 4.41Å; W9-I13 HydrophobicContact CZ2-CB 4.14Å; W9-I13 HydrophobicContact CZ2-CD1 3.89Å; W9-I13 HydrophobicContact CZ2-CG1 4.04Å; W9-I13 WeakPolarHBondContact O-CG2 3.41Å; W9-I13 PolarHBondContact O-N 2.66Å; W9-L39 HydrophobicContact CH2-CD1 4.05Å; W9-V43 HydrophobicContact CZ3-CG2 3.88Å; W9-K69 HydrophobicContact CZ2-CG 4.44Å; W9-I72 HydrophobicContact CD2-CB 4.2Å; W9-I72 HydrophobicContact CD2-CG2 3.26Å; W9-I72 HydrophobicContact CE3-CD1 4.41Å; W9-I72 HydrophobicContact CE3-CG2 3.64Å; W9-I72 HydrophobicContact CG-CG2 3.66Å; W9-I72 HydrophobicContact CH2-CB 4.15Å; W9-I72 HydrophobicContact CH2-CD1 3.35Å; W9-I72 HydrophobicContact CH2-CG1 4.34Å; W9-I72 HydrophobicContact CH2-CG2 4.06Å; W9-I72 HydrophobicContact CZ2-CB 3.72Å; W9-I72 HydrophobicContact CZ2-CD1 3.81Å; W9-I72 HydrophobicContact CZ2-CG1 4.36Å; W9-I72 HydrophobicContact CZ2-CG2 3.74Å; W9-I72 HydrophobicContact CZ3-CD1 3.7Å; W9-I72 HydrophobicContact CZ3-CG2 4.01Å; W9-N73 PolarHBondContact NE1-OD1 3.44Å; W9-Y76 HydrophobicContact CB-CG 4.36Å
10A86.2Confident77.2Confident57 Ų5788.2 Ų88.247%0.47147%0.468SS..Hα-helixtrans-60-41177.200000113E8 I13 E14E8-A10 PolarHBondContact O-N 2.91Å; A10-I13 WeakPolarHBondContact O-CG2 3.44Å; A10-E14 WeakPolarHBondContact O-CG 3.45Å; A10-E14 PolarHBondContact O-N 3Å
11Y88.5Confident78.2Confident151 Ų15186 Ų8659%0.59246%0.462SS*.Hα-helixtrans-75.8-38.9176.5-59.9-60.4000111.8E8 W9 I13 E14 R15E8-Y11 HydrophobicContact CB-CD2 3.78Å; E8-Y11 HydrophobicContact CB-CE2 4.16Å; E8-Y11 HydrophobicContact CG-CD2 4.28Å; E8-Y11 HydrophobicContact CG-CE2 4.3Å; E8-Y11 PolarHBondContact O-N 3.03Å; E8-Y11 WeakPolarHBondContact OE2-CE2 3.23Å; W9-Y11 PolarHBondContact O-N 2.92Å; Y11-I13 VanDerWaalsContact C-N 3.33Å; Y11-I13 PolarHBondContact O-N 3.37Å; Y11-E14 PolarHBondContact O-N 3.25Å; Y11-R15 WeakPolarHBondContact O-CB 3.29Å; Y11-R15 PolarHBondContact O-N 3.11Å
12Y91.4Very high81.1Confident32 Ų3280.9 Ų80.913%0.12544%0.443CS..Hα-helixtrans-57.5-47176.6171.9-90.6000111.3E8 W9 R15 F16 L39 K42 V43E8-Y12 PolarHBondContact O-N 3.24Å; W9-Y12 AromaticContact CE3-CD1 3.66Å; W9-Y12 HydrophobicContact CE3-CD1 3.66Å; W9-Y12 HydrophobicContact CE3-CE1 4.32Å; W9-Y12 HydrophobicContact CE3-CG 4.45Å; W9-Y12 HydrophobicContact CH2-CD1 4.26Å; W9-Y12 HydrophobicContact CH2-CE1 4.32Å; W9-Y12 AromaticContact CZ3-CD1 3.4Å; W9-Y12 HydrophobicContact CZ3-CD1 3.4Å; W9-Y12 AromaticContact CZ3-CE1 3.62Å; W9-Y12 HydrophobicContact CZ3-CE1 3.62Å; W9-Y12 PolarHBondContact O-N 2.94Å; Y12-R15 PolarHBondContact O-N 3.28Å; Y12-F16 HydrophobicContact CE1-CB 4.33Å; Y12-F16 WeakPolarHBondContact O-CB 3.47Å; Y12-F16 PolarHBondContact O-N 3.35Å; Y12-L39 HydrophobicContact CE1-CD1 4.24Å; Y12-K42 VanDerWaalsContact OH-C 3.32Å; Y12-K42 WeakPolarHBondContact OH-CB 3.44Å; Y12-K42 PolarHBondContact OH-O 3.43Å; Y12-V43 HydrophobicContact CE1-CG2 4.25Å; Y12-V43 PolarHBondContact OH-N 3.49Å
13I92.2Very high83.9Confident16 Ų1680.9 Ų80.98%0.08243%0.43CS..Hα-helixtrans-69.9-38.6-175.1-161.658.5000111.9W9 A10 Y11 R15 F16 E17 L39 K69W9-I13 HydrophobicContact CH2-CB 4.48Å; W9-I13 HydrophobicContact CH2-CD1 3.8Å; W9-I13 HydrophobicContact CH2-CG1 4.41Å; W9-I13 HydrophobicContact CZ2-CB 4.14Å; W9-I13 HydrophobicContact CZ2-CD1 3.89Å; W9-I13 HydrophobicContact CZ2-CG1 4.04Å; W9-I13 WeakPolarHBondContact O-CG2 3.41Å; W9-I13 PolarHBondContact O-N 2.66Å; A10-I13 WeakPolarHBondContact O-CG2 3.44Å; Y11-I13 VanDerWaalsContact C-N 3.33Å; Y11-I13 PolarHBondContact O-N 3.37Å; I13-R15 VanDerWaalsContact C-N 3.35Å; I13-R15 PolarHBondContact O-N 2.91Å; I13-F16 HydrophobicContact CD1-CB 4.45Å; I13-F16 HydrophobicContact CD1-CD1 4.03Å; I13-F16 PolarHBondContact O-N 3.46Å; I13-E17 VanDerWaalsContact O-CG 3.25Å; I13-E17 WeakPolarHBondContact O-CG 3.46Å; I13-E17 PolarHBondContact O-N 3.46Å; I13-L39 HydrophobicContact CD1-CD1 4.33Å; I13-K69 HydrophobicContact CD1-CD 3.77Å; I13-K69 HydrophobicContact CD1-CG 3.98Å; I13-K69 HydrophobicContact CG1-CD 3.79Å; I13-K69 HydrophobicContact CG1-CG 4.3Å
14E92.2Very high86.6Confident127 Ų12775.6 Ų75.659%0.59342%0.421SS*.Hα-helixtrans-61.8-43.3173.5-71.1-62.1137.900111.6A10 Y11 F16 E17 C18A10-E14 WeakPolarHBondContact O-CG 3.45Å; A10-E14 PolarHBondContact O-N 3Å; Y11-E14 PolarHBondContact O-N 3.25Å; E14-F16 VanDerWaalsContact C-N 3.33Å; E14-F16 PolarHBondContact O-N 2.82Å; E14-E17 PolarHBondContact O-N 3.37Å; E14-C18 PolarHBondContact O-N 3.34Å; E14-C18 PolarHBondContact O-SG 3.44Å
15R94.1Very high89.1Confident139 Ų13972.1 Ų72.153%0.52540%0.396SS..Hα-helixtrans-64.1-39.1175.7-175168.864.287.5-0.4111.9E7 Y11 Y12 I13 C18 E19E7-R15 IonicContact OE1-CZ 2.66Å; E7-R15 IonicContact OE1-NE 3.48Å; E7-R15 PolarHBondContact OE1-NE 3.2Å; E7-R15 IonicContact OE1-NH2 3.07Å; E7-R15 IonicContact OE2-CZ 3.63Å; E7-R15 IonicContact OE2-NE 3.75Å; E7-R15 IonicContact OE2-NH2 3.25Å; E7-R15 PolarHBondContact OE2-NH2 3.13Å; Y11-R15 WeakPolarHBondContact O-CB 3.29Å; Y11-R15 PolarHBondContact O-N 3.11Å; Y12-R15 PolarHBondContact O-N 3.28Å; I13-R15 VanDerWaalsContact C-N 3.35Å; I13-R15 PolarHBondContact O-N 2.91Å; R15-C18 WeakPolarHBondContact O-CB 3.36Å; R15-C18 PolarHBondContact O-N 3.3Å; R15-E19 PolarHBondContact O-N 3.39Å; R15-E19 VanDerWaalsContact O-N 3.11Å
16F95.2Very high90.9Very high6 Ų674 Ų743%0.02639%0.387CS..Hα-helixtrans-66.5-41.9176.7-178.6-103000111.9Y12 I13 E14 C18 E19 L20 L38 L39 K42 Y65Y12-F16 HydrophobicContact CE1-CB 4.33Å; Y12-F16 WeakPolarHBondContact O-CB 3.47Å; Y12-F16 PolarHBondContact O-N 3.35Å; I13-F16 HydrophobicContact CD1-CB 4.45Å; I13-F16 HydrophobicContact CD1-CD1 4.03Å; I13-F16 PolarHBondContact O-N 3.46Å; E14-F16 VanDerWaalsContact C-N 3.33Å; E14-F16 PolarHBondContact O-N 2.82Å; F16-C18 VanDerWaalsContact C-N 3.33Å; F16-C18 PolarHBondContact O-N 3.32Å; F16-E19 WeakPolarHBondContact O-CB 3.38Å; F16-E19 PolarHBondContact O-N 2.84Å; F16-E19 VanDerWaalsContact O-N 3.11Å; F16-L20 HydrophobicContact CD1-CD1 3.93Å; F16-L20 HydrophobicContact CD1-CG 4.26Å; F16-L20 HydrophobicContact CE1-CD1 3.52Å; F16-L20 HydrophobicContact CE1-CD2 4.17Å; F16-L20 HydrophobicContact CE1-CG 3.9Å; F16-L20 HydrophobicContact CZ-CD1 4.2Å; F16-L20 HydrophobicContact CZ-CD2 3.98Å; F16-L20 HydrophobicContact CZ-CG 4.15Å; F16-L20 WeakPolarHBondContact O-CG 3.43Å; F16-L20 PolarHBondContact O-N 2.93Å; F16-L38 HydrophobicContact CE2-CB 4.13Å; F16-L38 HydrophobicContact CZ-CB 3.76Å; F16-L39 HydrophobicContact CD1-CD1 4.29Å; F16-L39 HydrophobicContact CE1-CB 3.95Å; F16-L39 HydrophobicContact CE1-CD1 4.12Å; F16-L39 HydrophobicContact CZ-CB 3.92Å; F16-L39 HydrophobicContact CZ-CD1 4.47Å; F16-L39 VanDerWaalsContact CZ-N 3.35Å; F16-K42 HydrophobicContact CD2-CD 4.42Å; F16-K42 HydrophobicContact CE2-CB 4.28Å; F16-K42 HydrophobicContact CE2-CD 4.17Å; F16-K42 HydrophobicContact CE2-CG 4.41Å; F16-Y65 AromaticContact CE1-CE2 3.84Å; F16-Y65 HydrophobicContact CE1-CE2 3.84Å
17E95.4Very high92.1Very high25 Ų2574.2 Ų74.212%0.11738%0.379CS..Hα-helixtrans-64.6-36.2175.6-68.6-77.2-178.700112I13 E14 E19 L20 A21 Y65 K69I13-E17 VanDerWaalsContact O-CG 3.25Å; I13-E17 WeakPolarHBondContact O-CG 3.46Å; I13-E17 PolarHBondContact O-N 3.46Å; E14-E17 PolarHBondContact O-N 3.37Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-L20 PolarHBondContact O-N 3.15Å; E17-A21 PolarHBondContact O-N 2.84Å; E17-Y65 VanDerWaalsContact OE1-CE1 3.29Å; E17-Y65 WeakPolarHBondContact OE1-CE1 3.48Å; E17-Y65 PolarHBondContact OE1-OH 3.22Å; E17-K69 IonicContact OE1-NZ 2.82Å; E17-K69 PolarHBondContact OE1-NZ 3Å
18C95.4Very high92.8Very high84 Ų8472.4 Ų72.457%0.56838%0.382SS*.Hα-helixtrans-60.8-42.1169.9-76.20000112.1E14 R15 F16 A21 V22E14-C18 PolarHBondContact O-N 3.34Å; E14-C18 PolarHBondContact O-SG 3.44Å; R15-C18 WeakPolarHBondContact O-CB 3.36Å; R15-C18 PolarHBondContact O-N 3.3Å; F16-C18 VanDerWaalsContact C-N 3.33Å; F16-C18 PolarHBondContact O-N 3.32Å; C18-A21 WeakPolarHBondContact O-CB 3.5Å; C18-A21 PolarHBondContact O-N 3.03Å; C18-V22 PolarHBondContact O-N 3.48Å
19E95.9Very high93.4Very high63 Ų6371.1 Ų71.129%0.29439%0.392SS..Hα-helixtrans-64.2-43.9175.9-178.6173.3-171.700111.6R15 F16 E17 A21 V22 F23 K42R15-E19 PolarHBondContact O-N 3.39Å; R15-E19 VanDerWaalsContact O-N 3.11Å; F16-E19 WeakPolarHBondContact O-CB 3.38Å; F16-E19 PolarHBondContact O-N 2.84Å; F16-E19 VanDerWaalsContact O-N 3.11Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E19-A21 PolarHBondContact O-N 3.29Å; E19-V22 WeakPolarHBondContact O-CB 3.18Å; E19-V22 PolarHBondContact O-N 2.81Å; E19-V22 VanDerWaalsContact O-N 3.13Å; E19-F23 HydrophobicContact CG-CD2 4.18Å; E19-F23 HydrophobicContact CG-CE2 3.7Å; E19-F23 WeakPolarHBondContact O-CD2 3.35Å; E19-F23 PolarHBondContact O-N 2.85Å; E19-K42 IonicContact OE1-NZ 3.56Å; E19-K42 PolarHBondContact OE1-NZ 2.92Å; E19-K42 IonicContact OE2-NZ 2.82Å; E19-K42 PolarHBondContact OE2-NZ 3.48Å
20L97.4Very high93.8Very high2 Ų275.4 Ų75.41%0.0143%0.429CS..Hα-helixtrans-58-38.7174.6-68.1177.4000112F16 E17 V22 F23 G24 L25 R35 L38F16-L20 HydrophobicContact CD1-CD1 3.93Å; F16-L20 HydrophobicContact CD1-CG 4.26Å; F16-L20 HydrophobicContact CE1-CD1 3.52Å; F16-L20 HydrophobicContact CE1-CD2 4.17Å; F16-L20 HydrophobicContact CE1-CG 3.9Å; F16-L20 HydrophobicContact CZ-CD1 4.2Å; F16-L20 HydrophobicContact CZ-CD2 3.98Å; F16-L20 HydrophobicContact CZ-CG 4.15Å; F16-L20 WeakPolarHBondContact O-CG 3.43Å; F16-L20 PolarHBondContact O-N 2.93Å; E17-L20 PolarHBondContact O-N 3.15Å; L20-V22 VanDerWaalsContact C-N 3.31Å; L20-V22 PolarHBondContact O-N 3.35Å; L20-F23 CarbonylContact O-C 3.6Å; L20-F23 PolarHBondContact O-N 3.19Å; L20-F23 VanDerWaalsContact O-N 3.15Å; L20-G24 PolarHBondContact O-N 2.87Å; L20-L25 HydrophobicContact CB-CB 4.26Å; L20-L25 HydrophobicContact CD2-CB 4.08Å; L20-L25 HydrophobicContact CD2-CD1 4.4Å; L20-L25 PolarHBondContact O-N 2.7Å; L20-R35 HydrophobicContact CD1-CB 4.26Å; L20-R35 HydrophobicContact CD1-CG 3.69Å; L20-R35 HydrophobicContact CD2-CG 4.09Å; L20-R35 HydrophobicContact CG-CG 4.45Å; L20-L38 HydrophobicContact CD2-CB 4.41Å; L20-L38 HydrophobicContact CD2-CD1 3.67Å
21A96.3Very high94.3Very high42 Ų4273.7 Ų73.735%0.34741%0.413SS..Hα-helixtrans-62.1-37177.600000112.8E17 C18 E19 F23 G24 R26E17-A21 PolarHBondContact O-N 2.84Å; C18-A21 WeakPolarHBondContact O-CB 3.5Å; C18-A21 PolarHBondContact O-N 3.03Å; E19-A21 PolarHBondContact O-N 3.29Å; A21-F23 PolarHBondContact O-N 2.93Å; A21-G24 PolarHBondContact O-N 3.39Å; A21-G24 VanDerWaalsContact O-N 3.09Å; A21-R26 HydrophobicContact CB-CB 4.25Å
22V96.1Very high94.7Very high119 Ų11968.3 Ų68.372%0.72139%0.393SS*.Hα-helixtrans-60.1-34.6175.7174.40000111.5C18 E19 L20C18-V22 PolarHBondContact O-N 3.48Å; E19-V22 WeakPolarHBondContact O-CB 3.18Å; E19-V22 PolarHBondContact O-N 2.81Å; E19-V22 VanDerWaalsContact O-N 3.13Å; L20-V22 VanDerWaalsContact C-N 3.31Å; L20-V22 PolarHBondContact O-N 3.35Å
23F94.9Very high95Very high130 Ų13069.3 Ų69.357%0.5740%0.404SS*.THydrogen-bonded Turntrans-90.23.7178.9-61.3-65.7000114.1E19 L20 A21 L25E19-F23 HydrophobicContact CG-CD2 4.18Å; E19-F23 HydrophobicContact CG-CE2 3.7Å; E19-F23 WeakPolarHBondContact O-CD2 3.35Å; E19-F23 PolarHBondContact O-N 2.85Å; L20-F23 CarbonylContact O-C 3.6Å; L20-F23 PolarHBondContact O-N 3.19Å; L20-F23 VanDerWaalsContact O-N 3.15Å; A21-F23 PolarHBondContact O-N 2.93Å; F23-L25 HydrophobicContact CB-CD1 3.92Å; F23-L25 HydrophobicContact CB-CG 3.93Å; F23-L25 PolarHBondContact O-N 3.28Å
24G95.9Very high95.2Very high56 Ų5670.1 Ų70.158%0.57741%0.413SS*.THydrogen-bonded Turntrans67.423.9-174.800000113.5L20 A21L20-G24 PolarHBondContact O-N 2.87Å; A21-G24 PolarHBondContact O-N 3.39Å; A21-G24 VanDerWaalsContact O-N 3.09Å
25L96.7Very high95.5Very high37 Ų3765.1 Ų65.119%0.19439%0.389CS..  trans-104.75.1-176.1-63.9178.6000113.4L20 F23 D27 T31 A34 R35 L38L20-L25 HydrophobicContact CB-CB 4.26Å; L20-L25 HydrophobicContact CD2-CB 4.08Å; L20-L25 HydrophobicContact CD2-CD1 4.4Å; L20-L25 PolarHBondContact O-N 2.7Å; F23-L25 HydrophobicContact CB-CD1 3.92Å; F23-L25 HydrophobicContact CB-CG 3.93Å; F23-L25 PolarHBondContact O-N 3.28Å; L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 3.47Å; L25-T31 HydrophobicContact CD2-CG2 3.97Å; L25-T31 PolarHBondContact O-OG1 2.97Å; L25-A34 HydrophobicContact CD1-CB 4.1Å; L25-A34 HydrophobicContact CD2-CB 4.05Å; L25-R35 HydrophobicContact CB-CG 4.37Å; L25-R35 WeakPolarHBondContact O-CD 3.4Å; L25-R35 WeakPolarHBondContact O-CG 3.28Å; L25-R35 PolarHBondContact O-NE 3.42Å; L25-L38 HydrophobicContact CD1-CD1 3.57Å
26R92.8Very high95.6Very high144 Ų14460.3 Ų60.354%0.54337%0.371SS..SBendtrans-56.2-44.5-170.7-170.5177-170.8170.43.1112.9A21 R35A21-R26 HydrophobicContact CB-CB 4.25Å; R26-R35 PolarHBondContact O-NH1 2.92Å
27D91Very high95.8Very high118 Ų11866 Ų6663%0.63140%0.397SS*.SBendtrans-145.7171-170.761.9-35.6000112.4L25 T31L25-D27 VanDerWaalsContact C-N 3.32Å; L25-D27 PolarHBondContact O-N 3.47Å; D27-T31 VanDerWaalsContact C-OG1 3.26Å; D27-T31 WeakPolarHBondContact O-CG2 3.33Å; D27-T31 PolarHBondContact O-OG1 3.32Å
28G92.2Very high95.9Very high42 Ų4267.3 Ų67.343%0.43341%0.405SS..SBendtrans99.6149.1-178.900000114.6A30 T31 E32 R35G28-A30 VanDerWaalsContact C-N 3.31Å; G28-A30 PolarHBondContact O-N 3.2Å; G28-T31 PolarHBondContact O-N 2.71Å; G28-T31 PolarHBondContact O-OG1 3.05Å; G28-E32 PolarHBondContact O-N 3.02Å; G28-R35 PolarHBondContact O-NH2 3.29Å
29A93.8Very high95.9Very high94 Ų9463.3 Ų63.378%0.77738%0.378SS*.G310 helixtrans-65.7-35.2-179.700000112.1T31 E32A29-T31 VanDerWaalsContact C-N 3.25Å; A29-T31 PolarHBondContact O-N 2.89Å; A29-E32 WeakPolarHBondContact O-CB 3.22Å; A29-E32 PolarHBondContact O-N 3.42Å
30A95.6Very high96Very high99 Ų9961 Ų6182%0.81837%0.368SS*.G310 helixtrans-66.1-25.817900000113.5G28G28-A30 VanDerWaalsContact C-N 3.31Å; G28-A30 PolarHBondContact O-N 3.2Å
31T96.8Very high96Very high21 Ų2165.2 Ų65.213%0.12940%0.397CS..G310 helixtrans-94-11-178.266.10000112.7L25 D27 G28 A29 A34 R35L25-T31 HydrophobicContact CD2-CG2 3.97Å; L25-T31 PolarHBondContact O-OG1 2.97Å; D27-T31 VanDerWaalsContact C-OG1 3.26Å; D27-T31 WeakPolarHBondContact O-CG2 3.33Å; D27-T31 PolarHBondContact O-OG1 3.32Å; G28-T31 PolarHBondContact O-N 2.71Å; G28-T31 PolarHBondContact O-OG1 3.05Å; A29-T31 VanDerWaalsContact C-N 3.25Å; A29-T31 PolarHBondContact O-N 2.89Å; T31-A34 PolarHBondContact O-N 2.71Å; T31-R35 WeakPolarHBondContact O-CG 3.23Å; T31-R35 PolarHBondContact O-N 3.27Å; T31-R35 PolarHBondContact OG1-NE 3.13Å
32E96.9Very high96Very high38 Ų3867.6 Ų67.618%0.17840%0.399CS..Hα-helixtrans-55.5-46.1-175.7-169-72.9148.100113.1G28 A29 A34 R35 R36 A64 Y65G28-E32 PolarHBondContact O-N 3.02Å; A29-E32 WeakPolarHBondContact O-CB 3.22Å; A29-E32 PolarHBondContact O-N 3.42Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 3.44Å; E32-R35 PolarHBondContact O-N 2.71Å; E32-R36 WeakPolarHBondContact O-CB 3.37Å; E32-R36 PolarHBondContact O-N 2.93Å; E32-A64 VanDerWaalsContact OE1-CA 3.3Å; E32-A64 WeakPolarHBondContact OE1-CA 3.26Å; E32-Y65 PolarHBondContact OE1-N 3.41Å
33P97.2Very high95.8Very high54 Ų5462.5 Ų62.535%0.35137%0.368SS..Hα-helixtrans-61.3-42.2178.7-24.635.7000112.5R36 E37P33-R36 PolarHBondContact O-N 3.46Å; P33-E37 WeakPolarHBondContact O-CG 3.16Å; P33-E37 PolarHBondContact O-N 3.48Å
34A97.5Very high95.6Very high33 Ų3358.1 Ų58.127%0.27336%0.36SS..Hα-helixtrans-66.2-41.7178.800000111.8L25 T31 E32 R36 E37 L38L25-A34 HydrophobicContact CD1-CB 4.1Å; L25-A34 HydrophobicContact CD2-CB 4.05Å; T31-A34 PolarHBondContact O-N 2.71Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 3.44Å; A34-R36 PolarHBondContact O-N 3.07Å; A34-E37 PolarHBondContact O-N 3.34Å; A34-L38 VanDerWaalsContact O-CB 3.29Å; A34-L38 WeakPolarHBondContact O-CB 3.41Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.4Å; A34-L38 PolarHBondContact O-N 3.02Å
35R97.9Very high95.5Very high22 Ų2265 Ų658%0.08337%0.374CS..Hα-helixtrans-60.4-45.5175.5-73.9-171.7-88165.712.2112L20 L25 R26 G28 T31 E32 L38 L39 Y65L20-R35 HydrophobicContact CD1-CB 4.26Å; L20-R35 HydrophobicContact CD1-CG 3.69Å; L20-R35 HydrophobicContact CD2-CG 4.09Å; L20-R35 HydrophobicContact CG-CG 4.45Å; L25-R35 HydrophobicContact CB-CG 4.37Å; L25-R35 WeakPolarHBondContact O-CD 3.4Å; L25-R35 WeakPolarHBondContact O-CG 3.28Å; L25-R35 PolarHBondContact O-NE 3.42Å; R26-R35 PolarHBondContact O-NH1 2.92Å; G28-R35 PolarHBondContact O-NH2 3.29Å; T31-R35 WeakPolarHBondContact O-CG 3.23Å; T31-R35 PolarHBondContact O-N 3.27Å; T31-R35 PolarHBondContact OG1-NE 3.13Å; E32-R35 PolarHBondContact O-N 2.71Å; R35-L38 PolarHBondContact O-N 3.38Å; R35-L39 WeakPolarHBondContact O-CB 3.42Å; R35-L39 PolarHBondContact O-N 3.14Å; R35-Y65 HydrophobicContact CB-CD1 4.21Å; R35-Y65 HydrophobicContact CB-CD2 3.9Å; R35-Y65 HydrophobicContact CB-CE1 4.46Å; R35-Y65 HydrophobicContact CB-CE2 4.21Å; R35-Y65 HydrophobicContact CB-CG 3.9Å
36R97.6Very high95.2Very high38 Ų3869.6 Ų69.614%0.14339%0.394CS..Hα-helixtrans-59.3-51.2176.417017468.4-169.71.7112E32 P33 A34 L38 L39 L40 Q61 V63 L68E32-R36 WeakPolarHBondContact O-CB 3.37Å; E32-R36 PolarHBondContact O-N 2.93Å; P33-R36 PolarHBondContact O-N 3.46Å; A34-R36 PolarHBondContact O-N 3.07Å; R36-L38 PolarHBondContact O-N 3.47Å; R36-L39 PolarHBondContact O-N 2.85Å; R36-L40 HydrophobicContact CG-CD1 4.01Å; R36-L40 HydrophobicContact CG-CG 4.5Å; R36-L40 WeakPolarHBondContact O-CB 3.49Å; R36-L40 VanDerWaalsContact O-CG 3.31Å; R36-L40 WeakPolarHBondContact O-CG 3.01Å; R36-L40 PolarHBondContact O-N 2.92Å; R36-Q61 WeakPolarHBondContact CD-O 3.48Å; R36-Q61 PolarHBondContact NE-O 3.29Å; R36-Q61 PolarHBondContact NH1-O 3.46Å; R36-Q61 PolarHBondContact NH2-O 3.04Å; R36-Q61 VanDerWaalsContact NH2-O 3.13Å; R36-V63 WeakPolarHBondContact CD-O 3.17Å; R36-V63 PolarHBondContact NH1-O 3.45Å; R36-L68 HydrophobicContact CG-CD1 3.83Å
37E97.6Very high95.2Very high125 Ų12564.1 Ų64.158%0.58438%0.375SS*.Hα-helixtrans-63.4-41.5-179.5-72.9176.1-175.400112.1P33 A34 L39 L40 S41P33-E37 WeakPolarHBondContact O-CG 3.16Å; P33-E37 PolarHBondContact O-N 3.48Å; A34-E37 PolarHBondContact O-N 3.34Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.75Å; E37-L40 PolarHBondContact O-N 2.87Å; E37-S41 WeakPolarHBondContact O-CB 3.37Å; E37-S41 PolarHBondContact O-N 3.24Å; E37-S41 PolarHBondContact O-OG 2.86Å
38L97.4Very high95.4Very high52 Ų5262.1 Ų62.127%0.27236%0.361SS..Hα-helixtrans-63.2-40.8174.1-74.8170.8000111.6F16 L20 L25 A34 R35 R36 S41 K42F16-L38 HydrophobicContact CE2-CB 4.13Å; F16-L38 HydrophobicContact CZ-CB 3.76Å; L20-L38 HydrophobicContact CD2-CB 4.41Å; L20-L38 HydrophobicContact CD2-CD1 3.67Å; L25-L38 HydrophobicContact CD1-CD1 3.57Å; A34-L38 VanDerWaalsContact O-CB 3.29Å; A34-L38 WeakPolarHBondContact O-CB 3.41Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.4Å; A34-L38 PolarHBondContact O-N 3.02Å; R35-L38 PolarHBondContact O-N 3.38Å; R36-L38 PolarHBondContact O-N 3.47Å; L38-S41 WeakPolarHBondContact CA-OG 3.39Å; L38-S41 PolarHBondContact O-N 3.43Å; L38-S41 PolarHBondContact O-OG 3.45Å; L38-K42 VanDerWaalsContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 WeakPolarHBondContact O-CG 3.33Å; L38-K42 PolarHBondContact O-N 2.74Å
39L97.3Very high95.6Very high0 Ų068.6 Ų68.60%037%0.372CS..Hα-helixtrans-63.7-51.4177.1178.562.6000110.5W9 Y12 I13 F16 R35 R36 E37 S41 K42 V43 Y65 L68 K69W9-L39 HydrophobicContact CH2-CD1 4.05Å; Y12-L39 HydrophobicContact CE1-CD1 4.24Å; I13-L39 HydrophobicContact CD1-CD1 4.33Å; F16-L39 HydrophobicContact CD1-CD1 4.29Å; F16-L39 HydrophobicContact CE1-CB 3.95Å; F16-L39 HydrophobicContact CE1-CD1 4.12Å; F16-L39 HydrophobicContact CZ-CB 3.92Å; F16-L39 HydrophobicContact CZ-CD1 4.47Å; F16-L39 VanDerWaalsContact CZ-N 3.35Å; R35-L39 WeakPolarHBondContact O-CB 3.42Å; R35-L39 PolarHBondContact O-N 3.14Å; R36-L39 PolarHBondContact O-N 2.85Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 2.75Å; L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.37Å; L39-K42 PolarHBondContact O-N 3.11Å; L39-V43 HydrophobicContact CD1-CB 4.44Å; L39-V43 WeakPolarHBondContact O-CB 3.43Å; L39-V43 PolarHBondContact O-N 3.11Å; L39-Y65 HydrophobicContact CB-CD2 4.12Å; L39-Y65 HydrophobicContact CB-CE2 3.89Å; L39-Y65 HydrophobicContact CD2-CD2 3.82Å; L39-Y65 HydrophobicContact CD2-CE2 3.68Å; L39-Y65 HydrophobicContact CG-CE2 4.25Å; L39-L68 HydrophobicContact CD2-CB 3.95Å; L39-L68 HydrophobicContact CD2-CD1 4.34Å; L39-K69 HydrophobicContact CD2-CG 4.32Å
40L97.6Very high95.6Very high16 Ų1665.7 Ų65.78%0.08434%0.343CS..Hα-helixtrans-61.3-34.1-179.1-69.4178.2000112.5R36 E37 F48 L51 I60 Q61 L68R36-L40 HydrophobicContact CG-CD1 4.01Å; R36-L40 HydrophobicContact CG-CG 4.5Å; R36-L40 WeakPolarHBondContact O-CB 3.49Å; R36-L40 VanDerWaalsContact O-CG 3.31Å; R36-L40 WeakPolarHBondContact O-CG 3.01Å; R36-L40 PolarHBondContact O-N 2.92Å; E37-L40 PolarHBondContact O-N 2.87Å; L40-F48 HydrophobicContact CB-CE2 4.27Å; L40-F48 HydrophobicContact CD2-CE2 4.41Å; L40-F48 VanDerWaalsContact O-CD2 3.25Å; L40-F48 WeakPolarHBondContact O-CD2 3.46Å; L40-L51 HydrophobicContact CD2-CD1 3.73Å; L40-I60 HydrophobicContact CD1-CB 4.46Å; L40-I60 HydrophobicContact CD1-CD1 4.15Å; L40-I60 HydrophobicContact CD1-CG1 4.05Å; L40-I60 HydrophobicContact CD2-CB 4.35Å; L40-I60 HydrophobicContact CD2-CD1 3.61Å; L40-I60 HydrophobicContact CD2-CG1 4.2Å; L40-I60 HydrophobicContact CG-CD1 4.44Å; L40-Q61 HydrophobicContact CD1-CG 4.41Å; L40-L68 HydrophobicContact CD1-CD1 4.35Å; L40-L68 HydrophobicContact CD2-CD1 3.88Å; L40-L68 HydrophobicContact CD2-CD2 4.37Å; L40-L68 HydrophobicContact CG-CD1 4.01Å
41S96.5Very high95.7Very high89 Ų8961 Ų6162%0.62230%0.304SS*.Hα-helixtrans-78-35178.161.70000113.7E37 L38 L39E37-S41 WeakPolarHBondContact O-CB 3.37Å; E37-S41 PolarHBondContact O-N 3.24Å; E37-S41 PolarHBondContact O-OG 2.86Å; L38-S41 WeakPolarHBondContact CA-OG 3.39Å; L38-S41 PolarHBondContact O-N 3.43Å; L38-S41 PolarHBondContact O-OG 3.45Å; L39-S41 VanDerWaalsContact C-N 3.26Å; L39-S41 PolarHBondContact O-N 3.37Å
42K95.7Very high95.7Very high93 Ų9362 Ų6240%0.40431%0.31SS..Hα-helixtrans-90.5-25.4-176.3-68.9-148.1178.9-161.30114.5Y12 F16 E19 L38 L39Y12-K42 VanDerWaalsContact OH-C 3.32Å; Y12-K42 WeakPolarHBondContact OH-CB 3.44Å; Y12-K42 PolarHBondContact OH-O 3.43Å; F16-K42 HydrophobicContact CD2-CD 4.42Å; F16-K42 HydrophobicContact CE2-CB 4.28Å; F16-K42 HydrophobicContact CE2-CD 4.17Å; F16-K42 HydrophobicContact CE2-CG 4.41Å; E19-K42 IonicContact OE1-NZ 3.56Å; E19-K42 PolarHBondContact OE1-NZ 2.92Å; E19-K42 IonicContact OE2-NZ 2.82Å; E19-K42 PolarHBondContact OE2-NZ 3.48Å; L38-K42 VanDerWaalsContact O-CB 3.3Å; L38-K42 WeakPolarHBondContact O-CB 3.47Å; L38-K42 WeakPolarHBondContact O-CG 3.33Å; L38-K42 PolarHBondContact O-N 2.74Å; L39-K42 PolarHBondContact O-N 3.11Å
43V93.2Very high95.6Very high11 Ų1164 Ų647%0.06732%0.322CS..SBendtrans-64.6141.8-175.983.50000110.8W9 Y12 L39 H47 F48 I72W9-V43 HydrophobicContact CZ3-CG2 3.88Å; Y12-V43 HydrophobicContact CE1-CG2 4.25Å; Y12-V43 PolarHBondContact OH-N 3.49Å; L39-V43 HydrophobicContact CD1-CB 4.44Å; L39-V43 WeakPolarHBondContact O-CB 3.43Å; L39-V43 PolarHBondContact O-N 3.11Å; V43-H47 HydrophobicContact CB-CB 4.35Å; V43-H47 HydrophobicContact CG1-CB 4.2Å; V43-H47 HydrophobicContact CG2-CB 3.34Å; V43-F48 HydrophobicContact CG1-CB 3.93Å; V43-F48 HydrophobicContact CG1-CD2 4.32Å; V43-I72 HydrophobicContact CG2-CD1 4.35Å
44G91.3Very high95.6Very high38 Ų3866.5 Ų66.539%0.39233%0.329SS..  trans-60.8153.2-179.700000112.9Q46 H47 F48G44-Q46 PolarHBondContact O-N 2.81Å; G44-H47 PolarHBondContact O-N 2.71Å; G44-F48 PolarHBondContact O-N 2.76Å
45K93.1Very high95.5Very high201 Ų20166.2 Ų66.287%0.87432%0.322SS*.Hα-helixtrans-47.5-39-177-62.6179.8-179.2179.50114.1R49K45-R49 WeakPolarHBondContact O-CB 3.44Å; K45-R49 PolarHBondContact O-N 3.4Å
46Q91.1Very high95.4Very high133 Ų13371.2 Ų71.262%0.62134%0.344SS*.Hα-helixtrans-64.2-47.2179.3-174.9-178.1-9.700112.2G44 L50 Y76G44-Q46 PolarHBondContact O-N 2.81Å; Q46-L50 WeakPolarHBondContact O-CB 3.32Å; Q46-L50 PolarHBondContact O-N 3Å; Q46-Y76 WeakPolarHBondContact CG-OH 3.4Å; Q46-Y76 PolarHBondContact NE2-OH 3.48Å
47H92.1Very high95.3Very high29 Ų2976.1 Ų76.113%0.13438%0.381CS..Hα-helixtrans-69-39.9178.1-59.795.7000111.5V43 G44 R49 L50 L51 I72 Y76V43-H47 HydrophobicContact CB-CB 4.35Å; V43-H47 HydrophobicContact CG1-CB 4.2Å; V43-H47 HydrophobicContact CG2-CB 3.34Å; G44-H47 PolarHBondContact O-N 2.71Å; H47-R49 PolarHBondContact O-N 2.55Å; H47-L50 WeakPolarHBondContact O-CB 3.36Å; H47-L50 PolarHBondContact O-N 2.96Å; H47-L51 WeakPolarHBondContact O-CG 3.18Å; H47-L51 PolarHBondContact O-N 3.38Å; H47-I72 HydrophobicContact CB-CD1 4.23Å; H47-Y76 AromaticContact CD2-CD2 3.92Å; H47-Y76 AromaticContact CD2-CE2 3.27Å; H47-Y76 WeakPolarHBondContact CD2-CE2 3.33Å; H47-Y76 AromaticContact CD2-CZ 3.57Å; H47-Y76 AromaticContact NE2-CD2 3.96Å; H47-Y76 AromaticContact NE2-CE1 3.81Å; H47-Y76 AromaticContact NE2-CE2 3.48Å; H47-Y76 WeakPolarHBondContact NE2-CE2 3.25Å; H47-Y76 AromaticContact NE2-CZ 3.38Å
48F95.1Very high95.3Very high77 Ų7775.2 Ų75.234%0.33837%0.372SS..Hα-helixtrans-60.1-47.5176-172.1-89.1000111.5L40 V43 G44 L50 L51 V52 I60L40-F48 HydrophobicContact CB-CE2 4.27Å; L40-F48 HydrophobicContact CD2-CE2 4.41Å; L40-F48 VanDerWaalsContact O-CD2 3.25Å; L40-F48 WeakPolarHBondContact O-CD2 3.46Å; V43-F48 HydrophobicContact CG1-CB 3.93Å; V43-F48 HydrophobicContact CG1-CD2 4.32Å; G44-F48 PolarHBondContact O-N 2.76Å; F48-L50 VanDerWaalsContact C-N 3.32Å; F48-L50 PolarHBondContact O-N 3.02Å; F48-L51 PolarHBondContact O-N 3.23Å; F48-V52 HydrophobicContact CD1-CG2 4.02Å; F48-V52 HydrophobicContact CE1-CG2 3.69Å; F48-V52 HydrophobicContact CZ-CG2 4.28Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.01Å; F48-I60 HydrophobicContact CD2-CD1 4.25Å; F48-I60 HydrophobicContact CE1-CD1 4.25Å; F48-I60 HydrophobicContact CE2-CD1 3.56Å; F48-I60 HydrophobicContact CZ-CD1 3.56Å
49R95.5Very high95.2Very high178 Ų17874.7 Ų74.767%0.67238%0.375SS*.Hα-helixtrans-59.7-43.7175.2-178.5177.2178.4172.61.3111.7K45 H47 L51 V52 D53K45-R49 WeakPolarHBondContact O-CB 3.44Å; K45-R49 PolarHBondContact O-N 3.4Å; H47-R49 PolarHBondContact O-N 2.55Å; R49-L51 VanDerWaalsContact C-N 3.33Å; R49-L51 PolarHBondContact O-N 3.3Å; R49-V52 PolarHBondContact O-N 3.31Å; R49-D53 IonicContact NE-OD2 3.73Å; R49-D53 PolarHBondContact O-N 3.37Å
50L94.7Very high95.2Very high33 Ų3375 Ų7517%0.17338%0.377CS..Hα-helixtrans-56.4-47.3176.3-179.2154.5000111.5Q46 H47 F48 D53 H54 I72 N75 Y76Q46-L50 WeakPolarHBondContact O-CB 3.32Å; Q46-L50 PolarHBondContact O-N 3Å; H47-L50 WeakPolarHBondContact O-CB 3.36Å; H47-L50 PolarHBondContact O-N 2.96Å; F48-L50 VanDerWaalsContact C-N 3.32Å; F48-L50 PolarHBondContact O-N 3.02Å; L50-D53 PolarHBondContact O-N 3.01Å; L50-H54 WeakPolarHBondContact O-CB 3.34Å; L50-H54 PolarHBondContact O-N 3.09Å; L50-I72 HydrophobicContact CD2-CG1 4.5Å; L50-N75 HydrophobicContact CD1-CB 3.58Å; L50-Y76 HydrophobicContact CD1-CE2 3.82Å
51L96.7Very high95.2Very high0 Ų079.3 Ų79.30%040%0.396CS..Hα-helixtrans-61.3-47178.3-70.7172.8000111.6L40 H47 F48 R49 D53 H54 F55 I60 L68 A71 I72L40-L51 HydrophobicContact CD2-CD1 3.73Å; H47-L51 WeakPolarHBondContact O-CG 3.18Å; H47-L51 PolarHBondContact O-N 3.38Å; F48-L51 PolarHBondContact O-N 3.23Å; R49-L51 VanDerWaalsContact C-N 3.33Å; R49-L51 PolarHBondContact O-N 3.3Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 3.15Å; L51-H54 PolarHBondContact O-N 3.49Å; L51-F55 HydrophobicContact CD2-CD2 4.35Å; L51-F55 HydrophobicContact CD2-CE2 3.9Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 PolarHBondContact O-N 2.86Å; L51-I60 HydrophobicContact CB-CG2 4.21Å; L51-L68 HydrophobicContact CD1-CD2 4.09Å; L51-L68 HydrophobicContact CD2-CB 4.19Å; L51-L68 HydrophobicContact CD2-CD2 3.73Å; L51-L68 HydrophobicContact CG-CD2 4.36Å; L51-A71 HydrophobicContact CD2-CB 4.09Å; L51-I72 HydrophobicContact CD1-CD1 3.96Å; L51-I72 HydrophobicContact CD1-CG1 4.5Å; L51-I72 HydrophobicContact CD2-CD1 4.14Å; L51-I72 HydrophobicContact CD2-CG1 3.83Å; L51-I72 HydrophobicContact CG-CD1 4.13Å; L51-I72 HydrophobicContact CG-CG1 4.13Å
52V97.1Very high95.2Very high41 Ų4180 Ų8025%0.24839%0.393CS..Hα-helixtrans-58.4-46.2178169.50000111.3F48 R49 K56 I60F48-V52 HydrophobicContact CD1-CG2 4.02Å; F48-V52 HydrophobicContact CE1-CG2 3.69Å; F48-V52 HydrophobicContact CZ-CG2 4.28Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.01Å; R49-V52 PolarHBondContact O-N 3.31Å; V52-K56 VanDerWaalsContact O-CG 3.26Å; V52-K56 WeakPolarHBondContact O-CG 3.27Å; V52-K56 PolarHBondContact O-N 2.88Å; V52-I60 HydrophobicContact CG2-CD1 3.7Å; V52-I60 HydrophobicContact CG2-CG1 4.49Å; V52-I60 HydrophobicContact CG2-CG2 4.3Å
53D96.4Very high95.3Very high81 Ų8175.5 Ų75.543%0.43337%0.374SS..Hα-helixtrans-72.2-32.8-178.8-69.1-22.9000112R49 L50 L51 K56R49-D53 IonicContact NE-OD2 3.73Å; R49-D53 PolarHBondContact O-N 3.37Å; L50-D53 PolarHBondContact O-N 3.01Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 3.15Å; D53-K56 IonicContact OD1-NZ 2.97Å; D53-K56 PolarHBondContact OD1-NZ 3.29Å
54H95.8Very high95.5Very high106 Ų10676.5 Ų76.549%0.49138%0.383SS..Hα-helixtrans-70.3-40.4178.5-175.576.2000113.4L50 L51L50-H54 WeakPolarHBondContact O-CB 3.34Å; L50-H54 PolarHBondContact O-N 3.09Å; L51-H54 PolarHBondContact O-N 3.49Å
55F96.8Very high95.8Very high27 Ų2774.7 Ų74.712%0.11836%0.364CS..Hα-helixtrans-95.4-6.9-173.1-73.6-73000114.8L51 R58 I60 V63 E67 L68 A71L51-F55 HydrophobicContact CD2-CD2 4.35Å; L51-F55 HydrophobicContact CD2-CE2 3.9Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 PolarHBondContact O-N 2.86Å; F55-R58 WeakPolarHBondContact O-CA 3.43Å; F55-R58 WeakPolarHBondContact O-CB 3.3Å; F55-R58 PolarHBondContact O-N 2.58Å; F55-I60 HydrophobicContact CB-CG2 4.1Å; F55-I60 HydrophobicContact CD2-CG2 4.3Å; F55-V63 HydrophobicContact CB-CG2 4.09Å; F55-V63 HydrophobicContact CD1-CB 4.5Å; F55-V63 HydrophobicContact CD1-CG1 4.03Å; F55-V63 HydrophobicContact CD1-CG2 3.6Å; F55-V63 HydrophobicContact CD2-CG1 4.33Å; F55-V63 HydrophobicContact CD2-CG2 4.16Å; F55-V63 HydrophobicContact CE1-CB 4.48Å; F55-V63 HydrophobicContact CE1-CG1 3.56Å; F55-V63 HydrophobicContact CE1-CG2 4.03Å; F55-V63 HydrophobicContact CE2-CG1 3.91Å; F55-V63 HydrophobicContact CG-CG1 4.4Å; F55-V63 HydrophobicContact CG-CG2 3.69Å; F55-V63 HydrophobicContact CZ-CG1 3.5Å; F55-V63 HydrophobicContact CZ-CG2 4.49Å; F55-E67 HydrophobicContact CZ-CB 4.37Å; F55-L68 HydrophobicContact CD2-CD2 4.16Å; F55-L68 HydrophobicContact CE2-CD2 3.8Å; F55-A71 HydrophobicContact CE2-CB 3.72Å; F55-A71 HydrophobicContact CZ-CB 3.87Å
56K94.6Very high95.9Very high128 Ų12869.5 Ų69.556%0.55735%0.346SS*.THydrogen-bonded Turntrans-51.5138.4175.6-90.7166-168.8163.40111.9V52 D53V52-K56 VanDerWaalsContact O-CG 3.26Å; V52-K56 WeakPolarHBondContact O-CG 3.27Å; V52-K56 PolarHBondContact O-N 2.88Å; D53-K56 IonicContact OD1-NZ 2.97Å; D53-K56 PolarHBondContact OD1-NZ 3.29Å
57P96Very high96.2Very high140 Ų14067.1 Ų67.191%0.90934%0.335SS*.THydrogen-bonded Turncis-85.80.84.835.4-36.8000114.9
58R96.9Very high96.4Very high107 Ų10765.8 Ų65.840%0.40433%0.329SS..SBendtrans-66.3138.9178.6-173.6-179.4175.2-1682.3109.9F55 D62 V63 E67F55-R58 WeakPolarHBondContact O-CA 3.43Å; F55-R58 WeakPolarHBondContact O-CB 3.3Å; F55-R58 PolarHBondContact O-N 2.58Å; R58-D62 PolarHBondContact NH2-O 3.47Å; R58-V63 HydrophobicContact CG-CG2 4.24Å; R58-E67 IonicContact NH1-OE1 3.93Å; R58-E67 IonicContact NH1-OE2 3.08Å; R58-E67 PolarHBondContact NH1-OE2 3.27Å; R58-E67 VanDerWaalsContact NH1-OE2 3.08Å; R58-E67 IonicContact NH2-OE1 3.87Å
59A96.6Very high96.4Very high41 Ų4163.8 Ų63.834%0.33932%0.32SS..  trans-70.2130.9173.100000109.6Q61 D62A59-Q61 PolarHBondContact O-N 2.72Å; A59-Q61 VanDerWaalsContact O-N 3.16Å; A59-D62 PolarHBondContact O-N 2.85Å
60I97.2Very high96.3Very high6 Ų658 Ų583%0.03131%0.31CS..G310 helixtrans-63.1-22.2-179.658.9172.2000112.5L40 F48 L51 V52 F55 D62 V63L40-I60 HydrophobicContact CD1-CB 4.46Å; L40-I60 HydrophobicContact CD1-CD1 4.15Å; L40-I60 HydrophobicContact CD1-CG1 4.05Å; L40-I60 HydrophobicContact CD2-CB 4.35Å; L40-I60 HydrophobicContact CD2-CD1 3.61Å; L40-I60 HydrophobicContact CD2-CG1 4.2Å; L40-I60 HydrophobicContact CG-CD1 4.44Å; F48-I60 HydrophobicContact CD2-CD1 4.25Å; F48-I60 HydrophobicContact CE1-CD1 4.25Å; F48-I60 HydrophobicContact CE2-CD1 3.56Å; F48-I60 HydrophobicContact CZ-CD1 3.56Å; L51-I60 HydrophobicContact CB-CG2 4.21Å; V52-I60 HydrophobicContact CG2-CD1 3.7Å; V52-I60 HydrophobicContact CG2-CG1 4.49Å; V52-I60 HydrophobicContact CG2-CG2 4.3Å; F55-I60 HydrophobicContact CB-CG2 4.1Å; F55-I60 HydrophobicContact CD2-CG2 4.3Å; I60-D62 PolarHBondContact O-N 3.35Å; I60-V63 PolarHBondContact O-N 3.31Å
61Q96.8Very high96.3Very high106 Ų10656.7 Ų56.750%0.49530%0.304SS..G310 helixtrans-69.3-14.9173.7-59.584.8-10.500112.6R36 L40 A59R36-Q61 WeakPolarHBondContact CD-O 3.48Å; R36-Q61 PolarHBondContact NE-O 3.29Å; R36-Q61 PolarHBondContact NH1-O 3.46Å; R36-Q61 PolarHBondContact NH2-O 3.04Å; R36-Q61 VanDerWaalsContact NH2-O 3.13Å; L40-Q61 HydrophobicContact CD1-CG 4.41Å; A59-Q61 PolarHBondContact O-N 2.72Å; A59-Q61 VanDerWaalsContact O-N 3.16Å
62D96.7Very high96.1Very high103 Ų10356.7 Ų56.755%0.55130%0.304SS*.G310 helixtrans-102.4-1.8177.2-60.2-35.9000112.3R58 A59 I60R58-D62 PolarHBondContact NH2-O 3.47Å; A59-D62 PolarHBondContact O-N 2.85Å; I60-D62 PolarHBondContact O-N 3.35Å
63V97.6Very high95.7Very high0 Ų058 Ų580%031%0.31CS..SBendtrans-87.4137.5179.7178.60000109.5R36 F55 R58 I60 E67 L68R36-V63 WeakPolarHBondContact CD-O 3.17Å; R36-V63 PolarHBondContact NH1-O 3.45Å; F55-V63 HydrophobicContact CB-CG2 4.09Å; F55-V63 HydrophobicContact CD1-CB 4.5Å; F55-V63 HydrophobicContact CD1-CG1 4.03Å; F55-V63 HydrophobicContact CD1-CG2 3.6Å; F55-V63 HydrophobicContact CD2-CG1 4.33Å; F55-V63 HydrophobicContact CD2-CG2 4.16Å; F55-V63 HydrophobicContact CE1-CB 4.48Å; F55-V63 HydrophobicContact CE1-CG1 3.56Å; F55-V63 HydrophobicContact CE1-CG2 4.03Å; F55-V63 HydrophobicContact CE2-CG1 3.91Å; F55-V63 HydrophobicContact CG-CG1 4.4Å; F55-V63 HydrophobicContact CG-CG2 3.69Å; F55-V63 HydrophobicContact CZ-CG1 3.5Å; F55-V63 HydrophobicContact CZ-CG2 4.49Å; R58-V63 HydrophobicContact CG-CG2 4.24Å; I60-V63 PolarHBondContact O-N 3.31Å; V63-E67 HydrophobicContact CG1-CB 3.55Å; V63-E67 HydrophobicContact CG1-CG 4.5Å; V63-L68 HydrophobicContact CB-CD2 3.86Å; V63-L68 HydrophobicContact CB-CG 4.23Å; V63-L68 HydrophobicContact CG1-CD2 3.68Å; V63-L68 HydrophobicContact CG1-CG 3.88Å
64A97.4Very high95.3Very high32 Ų3257.6 Ų57.626%0.26432%0.318SS..  trans-64.9147.4179.800000112.1E32 D66 E67 L68E32-A64 VanDerWaalsContact OE1-CA 3.3Å; E32-A64 WeakPolarHBondContact OE1-CA 3.26Å; A64-D66 VanDerWaalsContact C-N 3.26Å; A64-D66 PolarHBondContact O-N 2.94Å; A64-E67 HydrophobicContact CB-CB 4.37Å; A64-E67 HydrophobicContact CB-CG 4.18Å; A64-E67 WeakPolarHBondContact CB-OE1 3.32Å; A64-E67 WeakPolarHBondContact O-CA 2.95Å; A64-E67 WeakPolarHBondContact O-CB 3.4Å; A64-E67 PolarHBondContact O-N 2.97Å; A64-L68 WeakPolarHBondContact O-CG 3.29Å; A64-L68 PolarHBondContact O-N 2.84Å
65Y97.4Very high94.5Very high0 Ų056.6 Ų56.60%032%0.316CS..Hα-helixtrans-49.7-45.3177.3173.3-112.4000112.8F16 E17 E32 R35 L39 L68 K69F16-Y65 AromaticContact CE1-CE2 3.84Å; F16-Y65 HydrophobicContact CE1-CE2 3.84Å; E17-Y65 VanDerWaalsContact OE1-CE1 3.29Å; E17-Y65 WeakPolarHBondContact OE1-CE1 3.48Å; E17-Y65 PolarHBondContact OE1-OH 3.22Å; E32-Y65 PolarHBondContact OE1-N 3.41Å; R35-Y65 HydrophobicContact CB-CD1 4.21Å; R35-Y65 HydrophobicContact CB-CD2 3.9Å; R35-Y65 HydrophobicContact CB-CE1 4.46Å; R35-Y65 HydrophobicContact CB-CE2 4.21Å; R35-Y65 HydrophobicContact CB-CG 3.9Å; L39-Y65 HydrophobicContact CB-CD2 4.12Å; L39-Y65 HydrophobicContact CB-CE2 3.89Å; L39-Y65 HydrophobicContact CD2-CD2 3.82Å; L39-Y65 HydrophobicContact CD2-CE2 3.68Å; L39-Y65 HydrophobicContact CG-CE2 4.25Å; Y65-L68 WeakPolarHBondContact O-CB 3.25Å; Y65-L68 PolarHBondContact O-N 2.91Å; Y65-K69 HydrophobicContact CD1-CD 4.5Å; Y65-K69 HydrophobicContact CE1-CD 3.8Å; Y65-K69 HydrophobicContact CE1-CG 4.49Å; Y65-K69 HydrophobicContact CE2-CD 4.27Å; Y65-K69 HydrophobicContact CE2-CG 4.27Å; Y65-K69 PolarHBondContact O-N 3.45Å
66D95.8Very high93.5Very high92 Ų9258.8 Ų58.849%0.49232%0.324SS..Hα-helixtrans-70.3-33.2179.2-67.7-42.9000112.6A64 K69 A70A64-D66 VanDerWaalsContact C-N 3.26Å; A64-D66 PolarHBondContact O-N 2.94Å; D66-K69 PolarHBondContact O-N 2.88Å; D66-K69 WeakPolarHBondContact OD1-CE 3.29Å; D66-K69 IonicContact OD1-NZ 3.58Å; D66-K69 PolarHBondContact OD1-NZ 3.21Å; D66-A70 WeakPolarHBondContact O-CB 3.34Å; D66-A70 PolarHBondContact O-N 3.15Å
67E96.9Very high92Very high83 Ų8355 Ų5539%0.38832%0.316SS..Hα-helixtrans-64.6-41.2171.7-73.6177.9-110.900111F55 R58 V63 A64 A70 A71F55-E67 HydrophobicContact CZ-CB 4.37Å; R58-E67 IonicContact NH1-OE1 3.93Å; R58-E67 IonicContact NH1-OE2 3.08Å; R58-E67 PolarHBondContact NH1-OE2 3.27Å; R58-E67 VanDerWaalsContact NH1-OE2 3.08Å; R58-E67 IonicContact NH2-OE1 3.87Å; V63-E67 HydrophobicContact CG1-CB 3.55Å; V63-E67 HydrophobicContact CG1-CG 4.5Å; A64-E67 HydrophobicContact CB-CB 4.37Å; A64-E67 HydrophobicContact CB-CG 4.18Å; A64-E67 WeakPolarHBondContact CB-OE1 3.32Å; A64-E67 WeakPolarHBondContact O-CA 2.95Å; A64-E67 WeakPolarHBondContact O-CB 3.4Å; A64-E67 PolarHBondContact O-N 2.97Å; E67-A70 PolarHBondContact O-N 2.87Å; E67-A71 WeakPolarHBondContact O-CB 3.25Å; E67-A71 PolarHBondContact O-N 3.47Å
68L97.1Very high90.2Very high0 Ų053.7 Ų53.70%031%0.308CS..Hα-helixtrans-61.8-46.7175.6-64.3174.5000111.2R36 L39 L40 L51 F55 V63 A64 Y65 A70 A71 I72R36-L68 HydrophobicContact CG-CD1 3.83Å; L39-L68 HydrophobicContact CD2-CB 3.95Å; L39-L68 HydrophobicContact CD2-CD1 4.34Å; L40-L68 HydrophobicContact CD1-CD1 4.35Å; L40-L68 HydrophobicContact CD2-CD1 3.88Å; L40-L68 HydrophobicContact CD2-CD2 4.37Å; L40-L68 HydrophobicContact CG-CD1 4.01Å; L51-L68 HydrophobicContact CD1-CD2 4.09Å; L51-L68 HydrophobicContact CD2-CB 4.19Å; L51-L68 HydrophobicContact CD2-CD2 3.73Å; L51-L68 HydrophobicContact CG-CD2 4.36Å; F55-L68 HydrophobicContact CD2-CD2 4.16Å; F55-L68 HydrophobicContact CE2-CD2 3.8Å; V63-L68 HydrophobicContact CB-CD2 3.86Å; V63-L68 HydrophobicContact CB-CG 4.23Å; V63-L68 HydrophobicContact CG1-CD2 3.68Å; V63-L68 HydrophobicContact CG1-CG 3.88Å; A64-L68 WeakPolarHBondContact O-CG 3.29Å; A64-L68 PolarHBondContact O-N 2.84Å; Y65-L68 WeakPolarHBondContact O-CB 3.25Å; Y65-L68 PolarHBondContact O-N 2.91Å; L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.5Å; L68-A71 PolarHBondContact O-N 2.99Å; L68-I72 WeakPolarHBondContact O-CG1 3.35Å; L68-I72 PolarHBondContact O-N 2.95Å; L68-I72 VanDerWaalsContact O-N 3.15Å
69K94.8Very high88.2Confident36 Ų3657.4 Ų57.416%0.15733%0.327CS..Hα-helixtrans-59.4-45.2175.1-74.9-168.4-66.7-174.70111.5W9 I13 E17 L39 Y65 D66 A71 I72 N73W9-K69 HydrophobicContact CZ2-CG 4.44Å; I13-K69 HydrophobicContact CD1-CD 3.77Å; I13-K69 HydrophobicContact CD1-CG 3.98Å; I13-K69 HydrophobicContact CG1-CD 3.79Å; I13-K69 HydrophobicContact CG1-CG 4.3Å; E17-K69 IonicContact OE1-NZ 2.82Å; E17-K69 PolarHBondContact OE1-NZ 3Å; L39-K69 HydrophobicContact CD2-CG 4.32Å; Y65-K69 HydrophobicContact CD1-CD 4.5Å; Y65-K69 HydrophobicContact CE1-CD 3.8Å; Y65-K69 HydrophobicContact CE1-CG 4.49Å; Y65-K69 HydrophobicContact CE2-CD 4.27Å; Y65-K69 HydrophobicContact CE2-CG 4.27Å; Y65-K69 PolarHBondContact O-N 3.45Å; D66-K69 PolarHBondContact O-N 2.88Å; D66-K69 WeakPolarHBondContact OD1-CE 3.29Å; D66-K69 IonicContact OD1-NZ 3.58Å; D66-K69 PolarHBondContact OD1-NZ 3.21Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-A71 PolarHBondContact O-N 3.29Å; K69-I72 PolarHBondContact O-N 3.31Å; K69-N73 WeakPolarHBondContact O-CB 3.5Å; K69-N73 PolarHBondContact O-N 2.93Å; K69-N73 PolarHBondContact O-ND2 3.03Å
70A93.8Very high86.2Confident55 Ų5558.5 Ų58.546%0.45533%0.332SS..Hα-helixtrans-61.4-42.2179.300000112D66 E67 L68 I72 N73 A74D66-A70 WeakPolarHBondContact O-CB 3.34Å; D66-A70 PolarHBondContact O-N 3.15Å; E67-A70 PolarHBondContact O-N 2.87Å; L68-A70 VanDerWaalsContact C-N 3.34Å; L68-A70 PolarHBondContact O-N 3.5Å; A70-I72 PolarHBondContact O-N 2.97Å; A70-N73 PolarHBondContact O-N 3.23Å; A70-A74 WeakPolarHBondContact O-CB 3.43Å; A70-A74 PolarHBondContact O-N 2.95Å
71A94Very high84.5Confident6 Ų661 Ų615%0.0535%0.35CS..Hα-helixtrans-62.6-41.3177.400000112.2L51 F55 E67 L68 K69 N75L51-A71 HydrophobicContact CD2-CB 4.09Å; F55-A71 HydrophobicContact CE2-CB 3.72Å; F55-A71 HydrophobicContact CZ-CB 3.87Å; E67-A71 WeakPolarHBondContact O-CB 3.25Å; E67-A71 PolarHBondContact O-N 3.47Å; L68-A71 PolarHBondContact O-N 2.99Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-A71 PolarHBondContact O-N 3.29Å; A71-N75 PolarHBondContact O-ND2 3.22Å
72I92.2Very high83.1Confident0 Ų060.2 Ų60.20%035%0.352CS..Hα-helixtrans-69.2-46.6175.9-62.3170.9000110.3W9 V43 H47 L50 L51 L68 K69 A70 A74 N75 Y76W9-I72 HydrophobicContact CD2-CB 4.2Å; W9-I72 HydrophobicContact CD2-CG2 3.26Å; W9-I72 HydrophobicContact CE3-CD1 4.41Å; W9-I72 HydrophobicContact CE3-CG2 3.64Å; W9-I72 HydrophobicContact CG-CG2 3.66Å; W9-I72 HydrophobicContact CH2-CB 4.15Å; W9-I72 HydrophobicContact CH2-CD1 3.35Å; W9-I72 HydrophobicContact CH2-CG1 4.34Å; W9-I72 HydrophobicContact CH2-CG2 4.06Å; W9-I72 HydrophobicContact CZ2-CB 3.72Å; W9-I72 HydrophobicContact CZ2-CD1 3.81Å; W9-I72 HydrophobicContact CZ2-CG1 4.36Å; W9-I72 HydrophobicContact CZ2-CG2 3.74Å; W9-I72 HydrophobicContact CZ3-CD1 3.7Å; W9-I72 HydrophobicContact CZ3-CG2 4.01Å; V43-I72 HydrophobicContact CG2-CD1 4.35Å; H47-I72 HydrophobicContact CB-CD1 4.23Å; L50-I72 HydrophobicContact CD2-CG1 4.5Å; L51-I72 HydrophobicContact CD1-CD1 3.96Å; L51-I72 HydrophobicContact CD1-CG1 4.5Å; L51-I72 HydrophobicContact CD2-CD1 4.14Å; L51-I72 HydrophobicContact CD2-CG1 3.83Å; L51-I72 HydrophobicContact CG-CD1 4.13Å; L51-I72 HydrophobicContact CG-CG1 4.13Å; L68-I72 WeakPolarHBondContact O-CG1 3.35Å; L68-I72 PolarHBondContact O-N 2.95Å; L68-I72 VanDerWaalsContact O-N 3.15Å; K69-I72 PolarHBondContact O-N 3.31Å; A70-I72 PolarHBondContact O-N 2.97Å; I72-A74 VanDerWaalsContact C-N 3.27Å; I72-A74 PolarHBondContact O-N 3.49Å; I72-N75 PolarHBondContact O-N 2.99Å; I72-Y76 HydrophobicContact CG2-CD2 3.54Å; I72-Y76 HydrophobicContact CG2-CE2 3.98Å; I72-Y76 HydrophobicContact CG2-CG 4.47Å; I72-Y76 WeakPolarHBondContact O-CD2 3.21Å; I72-Y76 PolarHBondContact O-N 3.36Å
73N89.5Confident81.9Confident69 Ų6961.4 Ų61.437%0.36936%0.356SS..Hα-helixtrans-54.7-41.6175.4-79.9-30.7000111.9W9 K69 A70 N75 Y76 A77W9-N73 PolarHBondContact NE1-OD1 3.44Å; K69-N73 WeakPolarHBondContact O-CB 3.5Å; K69-N73 PolarHBondContact O-N 2.93Å; K69-N73 PolarHBondContact O-ND2 3.03Å; A70-N73 PolarHBondContact O-N 3.23Å; N73-N75 PolarHBondContact O-N 3.4Å; N73-N75 VanDerWaalsContact O-N 3.15Å; N73-Y76 PolarHBondContact O-N 2.72Å; N73-A77 WeakPolarHBondContact O-CA 3.45Å; N73-A77 WeakPolarHBondContact O-CB 3.37Å; N73-A77 PolarHBondContact O-N 2.93Å
74A86.5Confident80.6Confident73 Ų7364.8 Ų64.860%0.60338%0.377SS*.Hα-helixtrans-62.7-23.9178.500000113.7A70 I72A70-A74 WeakPolarHBondContact O-CB 3.43Å; A70-A74 PolarHBondContact O-N 2.95Å; I72-A74 VanDerWaalsContact C-N 3.27Å; I72-A74 PolarHBondContact O-N 3.49Å
75N80.6Confident79.4Confident84 Ų8465.7 Ų65.745%0.44938%0.377SS..Hα-helixtrans-97-29.9-179.2-75.2-84.3000113.5L50 A71 I72 N73L50-N75 HydrophobicContact CD1-CB 3.58Å; A71-N75 PolarHBondContact O-ND2 3.22Å; I72-N75 PolarHBondContact O-N 2.99Å; N73-N75 PolarHBondContact O-N 3.4Å; N73-N75 VanDerWaalsContact O-N 3.15Å
76Y75Confident78.6Confident73 Ų7373.5 Ų73.529%0.28641%0.406SS..Hα-helixtrans-114.1-9.6-176.4-68.1-88.8000114.8W9 Q46 H47 L50 I72 N73W9-Y76 HydrophobicContact CB-CG 4.36Å; Q46-Y76 WeakPolarHBondContact CG-OH 3.4Å; Q46-Y76 PolarHBondContact NE2-OH 3.48Å; H47-Y76 AromaticContact CD2-CD2 3.92Å; H47-Y76 AromaticContact CD2-CE2 3.27Å; H47-Y76 WeakPolarHBondContact CD2-CE2 3.33Å; H47-Y76 AromaticContact CD2-CZ 3.57Å; H47-Y76 AromaticContact NE2-CD2 3.96Å; H47-Y76 AromaticContact NE2-CE1 3.81Å; H47-Y76 AromaticContact NE2-CE2 3.48Å; H47-Y76 WeakPolarHBondContact NE2-CE2 3.25Å; H47-Y76 AromaticContact NE2-CZ 3.38Å; L50-Y76 HydrophobicContact CD1-CE2 3.82Å; I72-Y76 HydrophobicContact CG2-CD2 3.54Å; I72-Y76 HydrophobicContact CG2-CE2 3.98Å; I72-Y76 HydrophobicContact CG2-CG 4.47Å; I72-Y76 WeakPolarHBondContact O-CD2 3.21Å; I72-Y76 PolarHBondContact O-N 3.36Å; N73-Y76 PolarHBondContact O-N 2.72Å
77A62.4Low77.9Confident48 Ų4871.9 Ų71.940%0.39740%0.4SS..SBendtrans-51.3132.8163.700000106N73 K79N73-A77 WeakPolarHBondContact O-CA 3.45Å; N73-A77 WeakPolarHBondContact O-CB 3.37Å; N73-A77 PolarHBondContact O-N 2.93Å; A77-K79 PolarHBondContact O-N 3.28Å
78P58Low77.1Confident113 Ų11372.5 Ų72.573%0.73440%0.402SS*.  trans-49115173.8-22.831.3000106.1S80P78-S80 PolarHBondContact O-N 2.91Å
79K55.5Low76.4Confident186 Ų18677 Ų7781%0.80942%0.422SS*.  trans-69.664.7153.7-66.6-176.8-174.3177.80104.5A77 S81A77-K79 PolarHBondContact O-N 3.28Å; K79-S81 PolarHBondContact O-N 3.07Å
80S55.7Low75.8Confident63 Ų6379.3 Ų79.344%0.44144%0.443SS..  trans-65.388.4161.298.30000101.6P78 V82 D85P78-S80 PolarHBondContact O-N 2.91Å; S80-V82 PolarHBondContact O-N 3.25Å; S80-V82 VanDerWaalsContact O-N 3.14Å; S80-D85 WeakPolarHBondContact CB-OD2 3.05Å; S80-D85 PolarHBondContact OG-OD2 2.93Å
81S61Low75.5Confident58 Ų5883 Ų8341%0.40645%0.452SS..  trans-61.7122.2167.2174.30000102.4K79 M83 V84 D85K79-S81 PolarHBondContact O-N 3.07Å; S81-M83 CarbonylContact O-C 3.47Å; S81-M83 PolarHBondContact O-N 2.96Å; S81-M83 WeakPolarHBondContact OG-CB 3.38Å; S81-M83 PolarHBondContact OG-N 3.2Å; S81-V84 WeakPolarHBondContact O-CA 3.38Å; S81-V84 WeakPolarHBondContact O-CB 2.94Å; S81-V84 PolarHBondContact O-N 3.44Å; S81-D85 PolarHBondContact O-N 3.3Å
82V66.9Low75.1Confident90 Ų9084.9 Ų84.955%0.54546%0.458SS..Hα-helixtrans-44.5-30171.3172.90000110.4S80 R86S80-V82 PolarHBondContact O-N 3.25Å; S80-V82 VanDerWaalsContact O-N 3.14Å; V82-R86 HydrophobicContact CG1-CG 4.39Å; V82-R86 VanDerWaalsContact O-CB 3.23Å; V82-R86 WeakPolarHBondContact O-CB 3.02Å; V82-R86 WeakPolarHBondContact O-CG 3.32Å; V82-R86 PolarHBondContact O-N 3.35Å
83M71.9Confident74.9Confident129 Ų12992.3 Ų92.364%0.63549%0.491SS*.Hα-helixtrans-65.9-46.6172.9-155.966-179.500114S81 R86 V87S81-M83 CarbonylContact O-C 3.47Å; S81-M83 PolarHBondContact O-N 2.96Å; S81-M83 WeakPolarHBondContact OG-CB 3.38Å; S81-M83 PolarHBondContact OG-N 3.2Å; M83-R86 PolarHBondContact O-N 3.47Å; M83-V87 WeakPolarHBondContact O-CB 3.48Å; M83-V87 WeakPolarHBondContact O-CG2 3.43Å; M83-V87 PolarHBondContact O-N 3.32Å
84V70.3Confident74.8Confident71 Ų7196 Ų9643%0.4350%0.499SS..Hα-helixtrans-63.7-43.6176.1171.80000110.4S81 V87 H88S81-V84 WeakPolarHBondContact O-CA 3.38Å; S81-V84 WeakPolarHBondContact O-CB 2.94Å; S81-V84 PolarHBondContact O-N 3.44Å; V84-V87 PolarHBondContact O-N 3.02Å; V84-H88 WeakPolarHBondContact CG1-CE1 3.49Å; V84-H88 PolarHBondContact O-N 3.47Å; V84-H88 PolarHBondContact O-ND1 2.92Å
85D72.8Confident74.9Confident50 Ų50101.2 Ų101.227%0.26750%0.503SS..Hα-helixtrans-64.7-44178.4-61.1-21.3000111S80 S81 V87 H88 F89S80-D85 WeakPolarHBondContact CB-OD2 3.05Å; S80-D85 PolarHBondContact OG-OD2 2.93Å; S81-D85 PolarHBondContact O-N 3.3Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 2.96Å; D85-H88 PolarHBondContact O-N 2.91Å; D85-F89 WeakPolarHBondContact O-CB 3.31Å; D85-F89 PolarHBondContact O-N 3.48Å
86R79.5Confident75.2Confident164 Ų164107.1 Ų107.162%0.61953%0.525SS*.Hα-helixtrans-59.9-40.3172.5-80.5177.5-170.9-157.24.1112.7V82 M83 S90V82-R86 HydrophobicContact CG1-CG 4.39Å; V82-R86 VanDerWaalsContact O-CB 3.23Å; V82-R86 WeakPolarHBondContact O-CB 3.02Å; V82-R86 WeakPolarHBondContact O-CG 3.32Å; V82-R86 PolarHBondContact O-N 3.35Å; M83-R86 PolarHBondContact O-N 3.47Å; R86-S90 VanDerWaalsContact O-CB 3.22Å; R86-S90 WeakPolarHBondContact O-CB 3.47Å; R86-S90 PolarHBondContact O-N 3.43Å; R86-S90 PolarHBondContact O-OG 3.49Å
87V80.4Confident76Confident58 Ų58111.1 Ų111.135%0.35255%0.551SS.*Hα-helixtrans-66-46.7177.8167.30000109.9M83 V84 D85 F89 S90 M91M83-V87 WeakPolarHBondContact O-CB 3.48Å; M83-V87 WeakPolarHBondContact O-CG2 3.43Å; M83-V87 PolarHBondContact O-N 3.32Å; V84-V87 PolarHBondContact O-N 3.02Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 2.96Å; V87-F89 PolarHBondContact O-N 3.5Å; V87-S90 PolarHBondContact O-N 2.99Å; V87-M91 HydrophobicContact CG1-CE 3.71Å; V87-M91 HydrophobicContact CG1-CG 4.3Å; V87-M91 HydrophobicContact CG1-SD 3.66Å; V87-M91 VanDerWaalsContact O-CB 3.28Å; V87-M91 WeakPolarHBondContact O-CB 3.49Å; V87-M91 VanDerWaalsContact O-CG 3.26Å; V87-M91 WeakPolarHBondContact O-CG 3.19Å; V87-M91 PolarHBondContact O-N 3.4Å
88H81.2Confident77.3Confident97 Ų97110.3 Ų110.345%0.44954%0.539SS..Hα-helixtrans-61.1-44.1175.6-71.2142.9000112.2V84 D85 M91 R92 L110V84-H88 WeakPolarHBondContact CG1-CE1 3.49Å; V84-H88 PolarHBondContact O-N 3.47Å; V84-H88 PolarHBondContact O-ND1 2.92Å; D85-H88 PolarHBondContact O-N 2.91Å; H88-M91 PolarHBondContact O-N 3.15Å; H88-R92 WeakPolarHBondContact O-CB 3.41Å; H88-R92 PolarHBondContact O-N 3.03Å; H88-L110 HydrophobicContact CB-CD2 4.15Å
89F82.8Confident78.9Confident95 Ų95107.5 Ų107.542%0.41752%0.522SS..Hα-helixtrans-60.5-46.9175.1-173.6-85.9000111.4D85 V87 M91 R92 L107 L110 A111D85-F89 WeakPolarHBondContact O-CB 3.31Å; D85-F89 PolarHBondContact O-N 3.48Å; V87-F89 PolarHBondContact O-N 3.5Å; F89-M91 VanDerWaalsContact C-N 3.33Å; F89-M91 PolarHBondContact O-N 2.8Å; F89-R92 PolarHBondContact O-N 3.29Å; F89-L107 HydrophobicContact CD2-CD2 3.96Å; F89-L107 HydrophobicContact CE2-CB 4.01Å; F89-L107 HydrophobicContact CE2-CD2 3.8Å; F89-L107 HydrophobicContact CE2-CG 4.34Å; F89-L107 HydrophobicContact CZ-CD2 4.22Å; F89-L110 HydrophobicContact CD2-CB 4.48Å; F89-A111 HydrophobicContact CD2-CB 4.45Å; F89-A111 HydrophobicContact CE2-CB 4.47Å
90S82.4Confident80.5Confident84 Ų84103 Ų10359%0.58751%0.51SS*.Hα-helixtrans-67.7-31.9179.9-57.20000112.9R86 V87 R92R86-S90 VanDerWaalsContact O-CB 3.22Å; R86-S90 WeakPolarHBondContact O-CB 3.47Å; R86-S90 PolarHBondContact O-N 3.43Å; R86-S90 PolarHBondContact O-OG 3.49Å; V87-S90 PolarHBondContact O-N 2.99Å; S90-R92 VanDerWaalsContact C-N 3.34Å
91M86Confident82.1Confident132 Ų132106.8 Ų106.865%0.6552%0.523SS*.Hα-helixtrans-86.1-5.6177.4-69.4-177.9175.500112.9V87 H88 F89 F93V87-M91 HydrophobicContact CG1-CE 3.71Å; V87-M91 HydrophobicContact CG1-CG 4.3Å; V87-M91 HydrophobicContact CG1-SD 3.66Å; V87-M91 VanDerWaalsContact O-CB 3.28Å; V87-M91 WeakPolarHBondContact O-CB 3.49Å; V87-M91 VanDerWaalsContact O-CG 3.26Å; V87-M91 WeakPolarHBondContact O-CG 3.19Å; V87-M91 PolarHBondContact O-N 3.4Å; H88-M91 PolarHBondContact O-N 3.15Å; F89-M91 VanDerWaalsContact C-N 3.33Å; F89-M91 PolarHBondContact O-N 2.8Å; M91-F93 WeakPolarHBondContact O-CD2 3.47Å; M91-F93 PolarHBondContact O-N 3Å; M91-F93 VanDerWaalsContact O-N 3.15Å
92R87.2Confident83.5Confident46 Ų46109.2 Ų109.217%0.17453%0.528CS..  trans-80.5100179.9-173.351.6170106.53.2110.5H88 F89 S90 E98 F103 A106 L107 L110H88-R92 WeakPolarHBondContact O-CB 3.41Å; H88-R92 PolarHBondContact O-N 3.03Å; F89-R92 PolarHBondContact O-N 3.29Å; S90-R92 VanDerWaalsContact C-N 3.34Å; R92-E98 IonicContact CZ-OE1 3.62Å; R92-E98 IonicContact CZ-OE2 2.55Å; R92-E98 IonicContact NH1-OE1 2.76Å; R92-E98 IonicContact NH1-OE2 3.65Å; R92-E98 PolarHBondContact NH1-OE2 3.38Å; R92-E98 IonicContact NH2-OE1 2.71Å; R92-E98 PolarHBondContact NH2-OE1 3.44Å; R92-E98 IonicContact NH2-OE2 2.88Å; R92-E98 PolarHBondContact NH2-OE2 2.87Å; R92-F103 HydrophobicContact CG-CE2 3.95Å; R92-F103 WeakPolarHBondContact O-CE2 2.84Å; R92-F103 WeakPolarHBondContact O-CZ 3.35Å; R92-A106 VanDerWaalsContact NH2-CB 3.34Å; R92-L107 HydrophobicContact CB-CD2 3.89Å; R92-L107 HydrophobicContact CG-CD2 3.79Å; R92-L110 HydrophobicContact CB-CD1 3.86Å; R92-L110 HydrophobicContact CG-CD1 3.82Å
93F87.4Confident84.5Confident156 Ų156106.9 Ų106.968%0.68451%0.51SS*.PPolyproline II helixtrans-98.7145.1171.3-62.6-80.1000111.7M91 R95 F103M91-F93 WeakPolarHBondContact O-CD2 3.47Å; M91-F93 PolarHBondContact O-N 3Å; M91-F93 VanDerWaalsContact O-N 3.15Å; F93-R95 PolarHBondContact O-N 3.43Å; F93-F103 VanDerWaalsContact C-CE2 3.49Å
94R87Confident85.3Confident147 Ų147103.2 Ų103.256%0.55550%0.495SS*.PPolyproline II helixtrans-62.5127.9174.4-174.2179.476.8-172.92.3109.5E98 F103R94-E98 WeakPolarHBondContact CD-O 3.3Å; R94-E98 HydrophobicContact CG-CB 4.12Å; R94-E98 HydrophobicContact CG-CG 4.28Å; R94-F103 VanDerWaalsContact CA-CD2 3.47Å; R94-F103 HydrophobicContact CB-CB 4.29Å; R94-F103 HydrophobicContact CB-CD1 4.17Å; R94-F103 HydrophobicContact CB-CD2 3.7Å; R94-F103 HydrophobicContact CB-CE1 4.44Å; R94-F103 HydrophobicContact CB-CE2 4.01Å; R94-F103 HydrophobicContact CB-CG 3.78Å; R94-F103 HydrophobicContact CB-CZ 4.36Å; R94-F103 HydrophobicContact CG-CB 3.95Å; R94-F103 HydrophobicContact CG-CD2 4.25Å; R94-F103 HydrophobicContact CG-CG 4.01Å
95R89.7Confident86.1Confident182 Ų182104 Ų10469%0.68750%0.497SS*.PPolyproline II helixtrans-73.4154.7177.7-60.1176.9179.1177.5-0.4110.4F93 N97 E98F93-R95 PolarHBondContact O-N 3.43Å; R95-N97 PolarHBondContact O-N 3.29Å; R95-E98 HydrophobicContact CB-CB 3.93Å; R95-E98 PolarHBondContact N-OE2 2.82Å; R95-E98 WeakPolarHBondContact O-CB 3.46Å; R95-E98 PolarHBondContact O-N 3.26Å
96K86.9Confident86.7Confident208 Ų208103 Ų10390%0.90450%0.496SS*.THydrogen-bonded Turntrans-53.4-32.2-175.7-169.8176.8178.9-179.50114.2
97N91.6Very high87Confident156 Ų15696.7 Ų96.783%0.83447%0.474SS*.THydrogen-bonded Turntrans-112.217.1-177.7-58.9-16.1000112.9R95R95-N97 PolarHBondContact O-N 3.29Å
98E89.2Confident87Confident31 Ų31102.4 Ų102.415%0.14549%0.489CS..  trans-97.4127.9-179.8177.5173.4-139.300110.2R92 R94 R95 Q102 F103R92-E98 IonicContact CZ-OE1 3.62Å; R92-E98 IonicContact CZ-OE2 2.55Å; R92-E98 IonicContact NH1-OE1 2.76Å; R92-E98 IonicContact NH1-OE2 3.65Å; R92-E98 PolarHBondContact NH1-OE2 3.38Å; R92-E98 IonicContact NH2-OE1 2.71Å; R92-E98 PolarHBondContact NH2-OE1 3.44Å; R92-E98 IonicContact NH2-OE2 2.88Å; R92-E98 PolarHBondContact NH2-OE2 2.87Å; R94-E98 WeakPolarHBondContact CD-O 3.3Å; R94-E98 HydrophobicContact CG-CB 4.12Å; R94-E98 HydrophobicContact CG-CG 4.28Å; R95-E98 HydrophobicContact CB-CB 3.93Å; R95-E98 PolarHBondContact N-OE2 2.82Å; R95-E98 WeakPolarHBondContact O-CB 3.46Å; R95-E98 PolarHBondContact O-N 3.26Å; E98-Q102 HydrophobicContact CG-CB 3.72Å; E98-F103 HydrophobicContact CG-CB 4.11Å
99S91.3Very high86.8Confident54 Ų54101.1 Ų101.138%0.37850%0.502SS..  trans-65.9156.2173.867.60000111.2M101 Q102 F103S99-M101 PolarHBondContact O-N 3.44Å; S99-Q102 PolarHBondContact O-N 3.36Å; S99-Q102 WeakPolarHBondContact OG-CB 3.38Å; S99-Q102 VanDerWaalsContact OG-CD 3.26Å; S99-Q102 VanDerWaalsContact OG-CG 3.23Å; S99-Q102 WeakPolarHBondContact OG-CG 3.48Å; S99-Q102 PolarHBondContact OG-N 2.93Å; S99-Q102 PolarHBondContact OG-OE1 3Å; S99-F103 PolarHBondContact O-N 3.23Å
100V89Confident86.4Confident91 Ų9199.2 Ų99.255%0.55250%0.496SS*.Hα-helixtrans-56.2-39.6175.6176.50000111.2F103 V104V100-F103 PolarHBondContact O-N 2.92Å; V100-V104 HydrophobicContact CG1-CG2 4.3Å; V100-V104 VanDerWaalsContact O-CG2 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.5Å; V100-V104 PolarHBondContact O-N 3.45Å
101M90.5Very high85.5Confident143 Ų143101.3 Ų101.370%0.70452%0.518SS*.Hα-helixtrans-67.5-41.5-179.4-167.6176.7-69.300112.5S99 F103 V104 N105S99-M101 PolarHBondContact O-N 3.44Å; M101-F103 VanDerWaalsContact C-N 3.34Å; M101-V104 PolarHBondContact O-N 3.34Å; M101-N105 WeakPolarHBondContact O-CB 3.5Å; M101-N105 VanDerWaalsContact O-CG 3.3Å; M101-N105 PolarHBondContact O-N 3.36Å; M101-N105 PolarHBondContact O-ND2 2.98Å
102Q89.2Confident85.5Confident109 Ų10999.8 Ų99.851%0.50951%0.511SS..Hα-helixtrans-62.2-43.1174.1-75.7164.5-34.700111.5E98 S99 N105 A106E98-Q102 HydrophobicContact CG-CB 3.72Å; S99-Q102 PolarHBondContact O-N 3.36Å; S99-Q102 WeakPolarHBondContact OG-CB 3.38Å; S99-Q102 VanDerWaalsContact OG-CD 3.26Å; S99-Q102 VanDerWaalsContact OG-CG 3.23Å; S99-Q102 WeakPolarHBondContact OG-CG 3.48Å; S99-Q102 PolarHBondContact OG-N 2.93Å; S99-Q102 PolarHBondContact OG-OE1 3Å; Q102-N105 PolarHBondContact O-N 3.33Å; Q102-A106 WeakPolarHBondContact O-CB 3.36Å; Q102-A106 PolarHBondContact O-N 2.72Å
103F88.9Confident85.4Confident41 Ų41102.6 Ų102.618%0.1853%0.529CS..Hα-helixtrans-62.7-46.6177177.8-114.5000112.2R92 F93 R94 E98 S99 V100 M101 N105 A106 L107R92-F103 HydrophobicContact CG-CE2 3.95Å; R92-F103 WeakPolarHBondContact O-CE2 2.84Å; R92-F103 WeakPolarHBondContact O-CZ 3.35Å; F93-F103 VanDerWaalsContact C-CE2 3.49Å; R94-F103 VanDerWaalsContact CA-CD2 3.47Å; R94-F103 HydrophobicContact CB-CB 4.29Å; R94-F103 HydrophobicContact CB-CD1 4.17Å; R94-F103 HydrophobicContact CB-CD2 3.7Å; R94-F103 HydrophobicContact CB-CE1 4.44Å; R94-F103 HydrophobicContact CB-CE2 4.01Å; R94-F103 HydrophobicContact CB-CG 3.78Å; R94-F103 HydrophobicContact CB-CZ 4.36Å; R94-F103 HydrophobicContact CG-CB 3.95Å; R94-F103 HydrophobicContact CG-CD2 4.25Å; R94-F103 HydrophobicContact CG-CG 4.01Å; E98-F103 HydrophobicContact CG-CB 4.11Å; S99-F103 PolarHBondContact O-N 3.23Å; V100-F103 PolarHBondContact O-N 2.92Å; M101-F103 VanDerWaalsContact C-N 3.34Å; F103-N105 VanDerWaalsContact C-N 3.34Å; F103-N105 PolarHBondContact O-N 3.04Å; F103-A106 WeakPolarHBondContact O-CB 3.5Å; F103-A106 PolarHBondContact O-N 3.3Å; F103-L107 HydrophobicContact CD1-CD1 4.03Å; F103-L107 HydrophobicContact CE1-CD1 3.49Å; F103-L107 VanDerWaalsContact CE1-CD1 3.49Å; F103-L107 HydrophobicContact CE1-CG 4.22Å; F103-L107 HydrophobicContact CE2-CD1 4.32Å; F103-L107 HydrophobicContact CE2-CD2 4.29Å; F103-L107 HydrophobicContact CE2-CG 4.19Å; F103-L107 HydrophobicContact CZ-CD1 3.66Å; F103-L107 HydrophobicContact CZ-CD2 4.15Å; F103-L107 HydrophobicContact CZ-CG 4.01Å; F103-L107 WeakPolarHBondContact O-CG 3.4Å; F103-L107 PolarHBondContact O-N 2.94Å
104V87.9Confident85.3Confident53 Ų5399.6 Ų99.632%0.32152%0.521SS..Hα-helixtrans-62.3-40.7176.8170.80000111.3V100 M101 A106 L107 R108V100-V104 HydrophobicContact CG1-CG2 4.3Å; V100-V104 VanDerWaalsContact O-CG2 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.5Å; V100-V104 PolarHBondContact O-N 3.45Å; M101-V104 PolarHBondContact O-N 3.34Å; V104-A106 VanDerWaalsContact C-N 3.34Å; V104-L107 PolarHBondContact O-N 3.16Å; V104-R108 WeakPolarHBondContact O-CG 3.26Å; V104-R108 PolarHBondContact O-N 3.13Å
105N87.1Confident85.2Confident88 Ų8896.8 Ų96.847%0.47152%0.519SS..Hα-helixtrans-63.9-39.8174.9-74.7-16.2000112M101 Q102 F103 R108 G109M101-N105 WeakPolarHBondContact O-CB 3.5Å; M101-N105 VanDerWaalsContact O-CG 3.3Å; M101-N105 PolarHBondContact O-N 3.36Å; M101-N105 PolarHBondContact O-ND2 2.98Å; Q102-N105 PolarHBondContact O-N 3.33Å; F103-N105 VanDerWaalsContact C-N 3.34Å; F103-N105 PolarHBondContact O-N 3.04Å; N105-R108 PolarHBondContact O-N 3.28Å; N105-G109 PolarHBondContact O-N 2.98Å; N105-G109 VanDerWaalsContact O-N 3.13Å
106A85.9Confident84.9Confident29 Ų2991.5 Ų91.524%0.2451%0.508CS..Hα-helixtrans-64.7-39174.600000112.1R92 Q102 F103 V104 G109 L110R92-A106 VanDerWaalsContact NH2-CB 3.34Å; Q102-A106 WeakPolarHBondContact O-CB 3.36Å; Q102-A106 PolarHBondContact O-N 2.72Å; F103-A106 WeakPolarHBondContact O-CB 3.5Å; F103-A106 PolarHBondContact O-N 3.3Å; V104-A106 VanDerWaalsContact C-N 3.34Å; A106-G109 PolarHBondContact O-N 3.08Å; A106-L110 WeakPolarHBondContact O-CG 3.2Å; A106-L110 PolarHBondContact O-N 3.35Å
107L85.2Confident84.7Confident31 Ų3183.7 Ų83.716%0.16248%0.482CS..Hα-helixtrans-65-40.7174.4-72.2177.9000112.2F89 R92 F103 V104 G109 L110 A111F89-L107 HydrophobicContact CD2-CD2 3.96Å; F89-L107 HydrophobicContact CE2-CB 4.01Å; F89-L107 HydrophobicContact CE2-CD2 3.8Å; F89-L107 HydrophobicContact CE2-CG 4.34Å; F89-L107 HydrophobicContact CZ-CD2 4.22Å; R92-L107 HydrophobicContact CB-CD2 3.89Å; R92-L107 HydrophobicContact CG-CD2 3.79Å; F103-L107 HydrophobicContact CD1-CD1 4.03Å; F103-L107 HydrophobicContact CE1-CD1 3.49Å; F103-L107 VanDerWaalsContact CE1-CD1 3.49Å; F103-L107 HydrophobicContact CE1-CG 4.22Å; F103-L107 HydrophobicContact CE2-CD1 4.32Å; F103-L107 HydrophobicContact CE2-CD2 4.29Å; F103-L107 HydrophobicContact CE2-CG 4.19Å; F103-L107 HydrophobicContact CZ-CD1 3.66Å; F103-L107 HydrophobicContact CZ-CD2 4.15Å; F103-L107 HydrophobicContact CZ-CG 4.01Å; F103-L107 WeakPolarHBondContact O-CG 3.4Å; F103-L107 PolarHBondContact O-N 2.94Å; V104-L107 PolarHBondContact O-N 3.16Å; L107-G109 PolarHBondContact O-N 2.76Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-A111 PolarHBondContact O-N 2.85Å
108R81.5Confident84.3Confident178 Ų17878.6 Ų78.667%0.67246%0.456SS*.Hα-helixtrans-61.9-30174.6-74.1176.8-178.5175.5-1.5112.9V104 N105 L110V104-R108 WeakPolarHBondContact O-CG 3.26Å; V104-R108 PolarHBondContact O-N 3.13Å; N105-R108 PolarHBondContact O-N 3.28Å; R108-L110 VanDerWaalsContact C-N 3.26Å
109G76.9Confident83.9Confident69 Ų6982.2 Ų82.271%0.71148%0.48SS*.THydrogen-bonded Turntrans-77.7-7.6174.300000114.5N105 A106 L107N105-G109 PolarHBondContact O-N 2.98Å; N105-G109 VanDerWaalsContact O-N 3.13Å; A106-G109 PolarHBondContact O-N 3.08Å; L107-G109 PolarHBondContact O-N 2.76Å
110L73.1Confident83.3Confident55 Ų5584.6 Ų84.629%0.28849%0.489SS..  trans-110.5-2.7-178.8-67.4172.5000113.2H88 F89 R92 A106 L107 R108H88-L110 HydrophobicContact CB-CD2 4.15Å; F89-L110 HydrophobicContact CD2-CB 4.48Å; R92-L110 HydrophobicContact CB-CD1 3.86Å; R92-L110 HydrophobicContact CG-CD1 3.82Å; A106-L110 WeakPolarHBondContact O-CG 3.2Å; A106-L110 PolarHBondContact O-N 3.35Å; L107-L110 PolarHBondContact O-N 3.32Å; R108-L110 VanDerWaalsContact C-N 3.26Å
111A64Low82.7Confident128 Ų12884 Ų84100%1.05848%0.483SS*.  trans-112.70-179.300000109.9F89 L107F89-A111 HydrophobicContact CD2-CB 4.45Å; F89-A111 HydrophobicContact CE2-CB 4.47Å; L107-A111 PolarHBondContact O-N 2.85Å

Retrieved 111 of 111 residues in 34.3 ms (Link to these results)

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