A0A077YWQ8_TRITR Loading...

Paired box protein

AlphaFold DB , UniProt , Accession A0A077YWQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 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
1M87.2Confident92.7Very high167 Ų16796.6 Ų96.682%0.82354%0.54SS*.  0143.60-171.4175.9-74.400108.4G6M1-G6 CarbonylContact C-O 3.58Å; M1-G6 WeakPolarHBondContact CA-O 3.46Å
2N91.8Very high92.9Very high39 Ų39104.6 Ų104.621%0.20956%0.555CS.*  trans-91.1176.7179.970.225.3000111.7L4 G5 G6 F8 R40N2-L4 PolarHBondContact O-N 3.28Å; N2-L4 VanDerWaalsContact O-N 3.16Å; N2-L4 WeakPolarHBondContact OD1-CA 3.47Å; N2-L4 WeakPolarHBondContact OD1-CB 3.47Å; N2-L4 PolarHBondContact OD1-N 3.45Å; N2-G5 PolarHBondContact O-N 2.89Å; N2-G5 PolarHBondContact OD1-N 3.38Å; N2-G5 VanDerWaalsContact OD1-N 3.15Å; N2-G6 PolarHBondContact N-O 3.32Å; N2-G6 WeakPolarHBondContact OD1-CA 3.29Å; N2-G6 PolarHBondContact OD1-N 3.08Å; N2-F8 HydrophobicContact CB-CD1 3.85Å; N2-F8 HydrophobicContact CB-CE1 3.67Å; N2-R40 PolarHBondContact ND2-O 2.93Å
3Q94.1Very high93.1Very high205 Ų205101 Ų10196%0.95854%0.541SS*.THydrogen-bonded Turntrans-63.9-16.5179.9-69176.5-30.300114.5
4L92.6Very high93.3Very high64 Ų6495.9 Ų95.934%0.33551%0.514SS..THydrogen-bonded Turntrans-95.75.8176.9-60.2171.6000112.1N2 G6 R40 V41N2-L4 PolarHBondContact O-N 3.28Å; N2-L4 VanDerWaalsContact O-N 3.16Å; N2-L4 WeakPolarHBondContact OD1-CA 3.47Å; N2-L4 WeakPolarHBondContact OD1-CB 3.47Å; N2-L4 PolarHBondContact OD1-N 3.45Å; L4-G6 VanDerWaalsContact C-N 3.26Å; L4-G6 PolarHBondContact O-N 3.13Å; L4-R40 HydrophobicContact CB-CB 4.18Å; L4-R40 WeakPolarHBondContact O-CB 3.4Å; L4-R40 WeakPolarHBondContact O-CD 3.45Å; L4-R40 WeakPolarHBondContact O-CG 3.45Å; L4-V41 WeakPolarHBondContact CD1-O 3.43Å
5G92.9Very high93.5Very high25 Ų2594.9 Ų94.926%0.25851%0.514SS..SBendtrans75.910.8-175.300000114.3N2N2-G5 PolarHBondContact O-N 2.89Å; N2-G5 PolarHBondContact OD1-N 3.38Å; N2-G5 VanDerWaalsContact OD1-N 3.15Å
6G92.7Very high93.7Very high7 Ų793.9 Ų93.97%0.07251%0.508CS..  trans-79.5143.6177.200000113M1 N2 L4 R40M1-G6 CarbonylContact C-O 3.58Å; M1-G6 WeakPolarHBondContact CA-O 3.46Å; N2-G6 PolarHBondContact N-O 3.32Å; N2-G6 WeakPolarHBondContact OD1-CA 3.29Å; N2-G6 PolarHBondContact OD1-N 3.08Å; L4-G6 VanDerWaalsContact C-N 3.26Å; L4-G6 PolarHBondContact O-N 3.13Å; G6-R40 WeakPolarHBondContact CA-O 3.29Å
7I93.3Very high93.9Very high152 Ų15294.1 Ų94.178%0.77952%0.516SS*.  trans-85.9132.7175-59.5170.4000108.7
8F94.1Very high94.1Very high97 Ų9791.2 Ų91.243%0.42550%0.501SS..  trans-149.7157.7176.474.3-76.5000110.3N2 N10N2-F8 HydrophobicContact CB-CD1 3.85Å; N2-F8 HydrophobicContact CB-CE1 3.67Å; F8-N10 WeakPolarHBondContact CE2-OD1 3.49Å
9V94.3Very high94.3Very high98 Ų9887.3 Ų87.359%0.59448%0.478SS*.  trans-112.5120.8178.1-1790000108.8G11 R12V9-G11 PolarHBondContact O-N 2.83Å; V9-R12 HydrophobicContact CB-CB 4.04Å; V9-R12 HydrophobicContact CB-CG 4.19Å; V9-R12 HydrophobicContact CG1-CB 4Å; V9-R12 HydrophobicContact CG1-CG 3.58Å; V9-R12 PolarHBondContact O-N 2.74Å
10N93.9Very high94.5Very high135 Ų13586.3 Ų86.372%0.72247%0.471SS*.THydrogen-bonded Turntrans-57.4134.2179.8-74.9-17000111.3F8 R12F8-N10 WeakPolarHBondContact CE2-OD1 3.49Å; N10-R12 PolarHBondContact O-N 3.3Å
11G92.9Very high94.6Very high74 Ų7486.8 Ų86.876%0.76347%0.466SS*.THydrogen-bonded Turntrans73.8-4178.900000115.5V9V9-G11 PolarHBondContact O-N 2.83Å
12R94.8Very high95.2Very high192 Ų19278.9 Ų78.973%0.72543%0.427SS*.SBendtrans-103.8146.7177-62.3-67.2-174.3165.10.5110.7V9 N10V9-R12 HydrophobicContact CB-CB 4.04Å; V9-R12 HydrophobicContact CB-CG 4.19Å; V9-R12 HydrophobicContact CG1-CB 4Å; V9-R12 HydrophobicContact CG1-CG 3.58Å; V9-R12 PolarHBondContact O-N 2.74Å; N10-R12 PolarHBondContact O-N 3.3Å
13P96.4Very high95.5Very high58 Ų5877.3 Ų77.338%0.37742%0.419SS..PPolyproline II helixtrans-65.4152.9173.328.7-33.3000110.6P61 I64P13-P61 HydrophobicContact CB-CB 3.57Å; P13-P61 HydrophobicContact CB-CG 3.81Å; P13-P61 HydrophobicContact CG-CB 4.15Å; P13-P61 HydrophobicContact CG-CG 3.96Å; P13-I64 HydrophobicContact CB-CD1 4.48Å; P13-I64 HydrophobicContact CG-CD1 4.33Å
14L95.8Very high95.6Very high30 Ų3071.3 Ų71.316%0.15739%0.391CS..PPolyproline II helixtrans-57139.7173.1-168.870.1000110T18 R19 I22 V41 I49L14-T18 HydrophobicContact CD1-CG2 4.28Å; L14-T18 HydrophobicContact CD2-CG2 3.64Å; L14-T18 HydrophobicContact CG-CG2 4.05Å; L14-R19 HydrophobicContact CB-CG 4.01Å; L14-R19 HydrophobicContact CD2-CG 4.15Å; L14-R19 HydrophobicContact CG-CG 4.33Å; L14-R19 WeakPolarHBondContact O-CD 3.28Å; L14-I22 HydrophobicContact CD2-CD1 3.71Å; L14-V41 HydrophobicContact CD1-CG2 4.17Å; L14-V41 HydrophobicContact CD2-CG1 4.15Å; L14-V41 HydrophobicContact CD2-CG2 4.02Å; L14-I49 HydrophobicContact CD2-CD1 3.93Å
15P96.3Very high95.9Very high80 Ų8068.4 Ų68.452%0.51938%0.376SS..PPolyproline II helixtrans-52.3143.1179-28.436.2000112.8P17 T18 R19P15-P17 VanDerWaalsContact C-CD 3.48Å; P15-T18 PolarHBondContact O-N 2.93Å; P15-T18 VanDerWaalsContact O-N 3.14Å; P15-R19 WeakPolarHBondContact O-CG 3.5Å; P15-R19 PolarHBondContact O-N 3.12Å; P15-R19 VanDerWaalsContact O-N 3.14Å
16L96.9Very high96.1Very high80 Ų8068.7 Ų68.742%0.41938%0.376SS..Hα-helixtrans-54.3-44-177.4-179.762.2000113.4T18 R19 I20 V59 L60L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 3.17Å; L16-R19 WeakPolarHBondContact O-CB 3.4Å; L16-R19 PolarHBondContact O-N 3.42Å; L16-I20 HydrophobicContact CD1-CD1 4.16Å; L16-I20 HydrophobicContact CD1-CG1 4.18Å; L16-I20 HydrophobicContact CG-CD1 3.92Å; L16-I20 HydrophobicContact CG-CG1 4.4Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.4Å; L16-V59 HydrophobicContact CD1-CG2 3.8Å; L16-L60 HydrophobicContact CD1-CD2 4.05Å
17P97.1Very high96.3Very high97 Ų9774.4 Ų74.463%0.6340%0.4SS*.Hα-helixtrans-58.1-41178.4-2636000113P15 R19 I20 R21P15-P17 VanDerWaalsContact C-CD 3.48Å; P17-R19 VanDerWaalsContact C-N 3.35Å; P17-R19 PolarHBondContact O-N 2.93Å; P17-I20 PolarHBondContact O-N 3.1Å; P17-R21 WeakPolarHBondContact O-CB 3.49Å; P17-R21 PolarHBondContact O-N 3.03Å
18T96.7Very high96.5Very high41 Ų4173.1 Ų73.125%0.25239%0.394SS..Hα-helixtrans-67.7-36.3177.4-42.30000111.7L14 P15 L16 R21 I22 V41L14-T18 HydrophobicContact CD1-CG2 4.28Å; L14-T18 HydrophobicContact CD2-CG2 3.64Å; L14-T18 HydrophobicContact CG-CG2 4.05Å; P15-T18 PolarHBondContact O-N 2.93Å; P15-T18 VanDerWaalsContact O-N 3.14Å; L16-T18 VanDerWaalsContact C-N 3.3Å; L16-T18 PolarHBondContact O-N 3.17Å; T18-R21 PolarHBondContact O-N 3.33Å; T18-I22 VanDerWaalsContact O-CG1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 2.98Å; T18-I22 PolarHBondContact O-N 3.36Å; T18-V41 HydrophobicContact CG2-CG2 3.94Å
19R98.1Very high96.6Very high18 Ų1871.5 Ų71.57%0.06840%0.404CS..Hα-helixtrans-66.3-40.3176.8-64.4175.162.485.35.9111.8L14 P15 L16 P17 V23 I49 V59 L60L14-R19 HydrophobicContact CB-CG 4.01Å; L14-R19 HydrophobicContact CD2-CG 4.15Å; L14-R19 HydrophobicContact CG-CG 4.33Å; L14-R19 WeakPolarHBondContact O-CD 3.28Å; P15-R19 WeakPolarHBondContact O-CG 3.5Å; P15-R19 PolarHBondContact O-N 3.12Å; P15-R19 VanDerWaalsContact O-N 3.14Å; L16-R19 WeakPolarHBondContact O-CB 3.4Å; L16-R19 PolarHBondContact O-N 3.42Å; P17-R19 VanDerWaalsContact C-N 3.35Å; P17-R19 PolarHBondContact O-N 2.93Å; R19-V23 PolarHBondContact O-N 3.44Å; R19-I49 HydrophobicContact CG-CD1 3.94Å; R19-V59 PolarHBondContact NE-O 2.89Å; R19-V59 PolarHBondContact NH2-O 3.25Å; R19-L60 PolarHBondContact NH2-O 3.13Å
20I97.8Very high96.7Very high66 Ų6669.3 Ų69.334%0.33839%0.389SS..Hα-helixtrans-62-49.4173.2-67.7168.1000109.5L16 P17 I22 V23 E24 V59L16-I20 HydrophobicContact CD1-CD1 4.16Å; L16-I20 HydrophobicContact CD1-CG1 4.18Å; L16-I20 HydrophobicContact CG-CD1 3.92Å; L16-I20 HydrophobicContact CG-CG1 4.4Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.4Å; P17-I20 PolarHBondContact O-N 3.1Å; I20-I22 VanDerWaalsContact C-N 3.3Å; I20-I22 PolarHBondContact O-N 3.09Å; I20-V23 PolarHBondContact O-N 3.38Å; I20-E24 HydrophobicContact CG2-CG 4.22Å; I20-E24 WeakPolarHBondContact CG2-OE1 3.45Å; I20-E24 PolarHBondContact O-N 3.44Å; I20-V59 HydrophobicContact CG1-CG2 4.19Å
21R97.8Very high96.9Very high98 Ų9871.1 Ų71.137%0.3739%0.386SS..Hα-helixtrans-58.4-38.9-179.7-172.258.2177.1175.20.7113.5P17 T18 V23 E24 L25 L39P17-R21 WeakPolarHBondContact O-CB 3.49Å; P17-R21 PolarHBondContact O-N 3.03Å; T18-R21 PolarHBondContact O-N 3.33Å; R21-V23 VanDerWaalsContact C-N 3.29Å; R21-V23 PolarHBondContact O-N 3.06Å; R21-E24 WeakPolarHBondContact CD-OE2 3.24Å; R21-E24 IonicContact NH1-OE2 3.1Å; R21-E24 PolarHBondContact NH1-OE2 3.01Å; R21-E24 VanDerWaalsContact NH1-OE2 3.1Å; R21-E24 PolarHBondContact O-N 3.11Å; R21-L25 HydrophobicContact CG-CD1 4.14Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.49Å; R21-L25 PolarHBondContact O-N 3.24Å; R21-L39 HydrophobicContact CB-CD1 4.31Å; R21-L39 HydrophobicContact CG-CD1 4.01Å; R21-L39 HydrophobicContact CG-CD2 3.69Å
22I98.1Very high97.2Very high0 Ų070.2 Ų70.20%037%0.366CS..Hα-helixtrans-57.8-44174.2-73.8165.1000111.2L14 T18 I20 A26 I35 L39 V41 V46 I49 L50L14-I22 HydrophobicContact CD2-CD1 3.71Å; T18-I22 VanDerWaalsContact O-CG1 3.3Å; T18-I22 WeakPolarHBondContact O-CG1 2.98Å; T18-I22 PolarHBondContact O-N 3.36Å; I20-I22 VanDerWaalsContact C-N 3.3Å; I20-I22 PolarHBondContact O-N 3.09Å; I22-A26 WeakPolarHBondContact O-CB 3.43Å; I22-A26 PolarHBondContact O-N 3.35Å; I22-I35 HydrophobicContact CB-CG2 4.44Å; I22-I35 HydrophobicContact CG1-CG2 4.11Å; I22-I35 HydrophobicContact CG2-CG2 4.38Å; I22-L39 HydrophobicContact CB-CD1 4.39Å; I22-L39 HydrophobicContact CD1-CD1 4.47Å; I22-L39 HydrophobicContact CG1-CD1 3.43Å; I22-L39 VanDerWaalsContact CG1-CD1 3.43Å; I22-V41 HydrophobicContact CD1-CG1 4.36Å; I22-V46 HydrophobicContact CD1-CG2 4.29Å; I22-V46 HydrophobicContact CG2-CG1 4.02Å; I22-I49 HydrophobicContact CD1-CD1 3.55Å; I22-I49 HydrophobicContact CG2-CB 4.37Å; I22-I49 HydrophobicContact CG2-CG2 4.04Å; I22-L50 HydrophobicContact CG2-CD2 3.92Å; I22-L50 HydrophobicContact CG2-CG 4.14Å
23V97.9Very high97.3Very high7 Ų763.1 Ų63.14%0.04235%0.346CS..Hα-helixtrans-71.3-42.4-179.3173.50000111.1R19 I20 R21 L25 A26 Q27 I49 L50 Y53 V59R19-V23 PolarHBondContact O-N 3.44Å; I20-V23 PolarHBondContact O-N 3.38Å; R21-V23 VanDerWaalsContact C-N 3.29Å; R21-V23 PolarHBondContact O-N 3.06Å; V23-L25 PolarHBondContact O-N 3.01Å; V23-A26 PolarHBondContact O-N 3.2Å; V23-Q27 HydrophobicContact CG1-CG 4.31Å; V23-Q27 VanDerWaalsContact O-CG 3.31Å; V23-Q27 WeakPolarHBondContact O-CG 3.36Å; V23-Q27 PolarHBondContact O-N 3.44Å; V23-I49 HydrophobicContact CG2-CG2 4.23Å; V23-L50 HydrophobicContact CG2-CD2 4.49Å; V23-Y53 HydrophobicContact CG1-CD1 3.76Å; V23-Y53 HydrophobicContact CG1-CD2 4.05Å; V23-Y53 HydrophobicContact CG1-CE1 3.55Å; V23-Y53 HydrophobicContact CG1-CE2 3.85Å; V23-Y53 HydrophobicContact CG1-CG 4.01Å; V23-Y53 HydrophobicContact CG2-CD1 4.33Å; V23-Y53 HydrophobicContact CG2-CD2 4.07Å; V23-Y53 HydrophobicContact CG2-CG 3.91Å; V23-V59 HydrophobicContact CB-CG1 4.45Å; V23-V59 HydrophobicContact CG2-CG1 3.95Å
24E97.7Very high97.4Very high78 Ų7863.8 Ų63.836%0.36435%0.346SS..Hα-helixtrans-56.3-51.4175.7-71.2174.5177.600112.1I20 R21 A26 Q27 I28I20-E24 HydrophobicContact CG2-CG 4.22Å; I20-E24 WeakPolarHBondContact CG2-OE1 3.45Å; I20-E24 PolarHBondContact O-N 3.44Å; R21-E24 WeakPolarHBondContact CD-OE2 3.24Å; R21-E24 IonicContact NH1-OE2 3.1Å; R21-E24 PolarHBondContact NH1-OE2 3.01Å; R21-E24 VanDerWaalsContact NH1-OE2 3.1Å; R21-E24 PolarHBondContact O-N 3.11Å; E24-A26 VanDerWaalsContact C-N 3.29Å; E24-A26 PolarHBondContact O-N 3.41Å; E24-Q27 PolarHBondContact O-N 3Å; E24-Q27 VanDerWaalsContact O-N 3.15Å; E24-I28 WeakPolarHBondContact O-CG1 3.23Å; E24-I28 PolarHBondContact O-N 3.45Å
25L97.9Very high97.5Very high3 Ų362.3 Ų62.32%0.01634%0.338CS..Hα-helixtrans-62.3-39-179.2-66.4171.1000111.6R21 V23 I28 G29 I30 I35 L39R21-L25 HydrophobicContact CG-CD1 4.14Å; R21-L25 HydrophobicContact CG-CG 4.43Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.49Å; R21-L25 PolarHBondContact O-N 3.24Å; V23-L25 PolarHBondContact O-N 3.01Å; L25-I28 PolarHBondContact O-N 2.76Å; L25-G29 PolarHBondContact O-N 3.17Å; L25-I30 HydrophobicContact CB-CB 4.39Å; L25-I30 HydrophobicContact CB-CD1 4.12Å; L25-I30 HydrophobicContact CD2-CD1 3.54Å; L25-I30 HydrophobicContact CG-CD1 4.38Å; L25-I30 WeakPolarHBondContact O-CB 3.39Å; L25-I30 PolarHBondContact O-N 3.26Å; L25-I35 HydrophobicContact CB-CD1 3.8Å; L25-I35 HydrophobicContact CB-CG1 3.77Å; L25-I35 HydrophobicContact CD1-CG1 4.32Å; L25-I35 HydrophobicContact CD1-CG2 4.13Å; L25-L39 HydrophobicContact CD1-CD1 3.92Å; L25-L39 HydrophobicContact CD1-CD2 4.12Å; L25-L39 HydrophobicContact CD1-CG 4Å
26A97.9Very high97.5Very high31 Ų3159 Ų5926%0.25632%0.317SS..Hα-helixtrans-67.1-36.6176.400000112.3I22 V23 E24 I28 G29 I35 L50I22-A26 WeakPolarHBondContact O-CB 3.43Å; I22-A26 PolarHBondContact O-N 3.35Å; V23-A26 PolarHBondContact O-N 3.2Å; E24-A26 VanDerWaalsContact C-N 3.29Å; E24-A26 PolarHBondContact O-N 3.41Å; A26-I28 VanDerWaalsContact C-N 3.33Å; A26-G29 PolarHBondContact O-N 3.12Å; A26-I35 HydrophobicContact CB-CD1 3.81Å; A26-L50 HydrophobicContact CB-CD1 4.16Å; A26-L50 HydrophobicContact CB-CD2 3.46Å; A26-L50 VanDerWaalsContact CB-CD2 3.46Å; A26-L50 HydrophobicContact CB-CG 4.48Å
27Q96.7Very high97.5Very high127 Ų12763.6 Ų63.659%0.59333%0.329SS*.Hα-helixtrans-67.9-31.5176.1-74.9176-800112.9V23 E24 G29 Y53V23-Q27 HydrophobicContact CG1-CG 4.31Å; V23-Q27 VanDerWaalsContact O-CG 3.31Å; V23-Q27 WeakPolarHBondContact O-CG 3.36Å; V23-Q27 PolarHBondContact O-N 3.44Å; E24-Q27 PolarHBondContact O-N 3Å; E24-Q27 VanDerWaalsContact O-N 3.15Å; Q27-G29 PolarHBondContact O-N 3.24Å; Q27-Y53 PolarHBondContact NE2-OH 3.43Å
28I96.9Very high97.5Very high126 Ų12663.9 Ų63.965%0.64632%0.322SS*.THydrogen-bonded Turntrans-70.2-13.4172.2-63.8163.5000111.4E24 L25 A26 I30E24-I28 WeakPolarHBondContact O-CG1 3.23Å; E24-I28 PolarHBondContact O-N 3.45Å; L25-I28 PolarHBondContact O-N 2.76Å; A26-I28 VanDerWaalsContact C-N 3.33Å; I28-I30 HydrophobicContact CG2-CG1 4.47Å
29G96.5Very high97.5Very high62 Ų6264 Ų6464%0.63932%0.32SS*.THydrogen-bonded Turntrans96.212.7179.200000114.2L25 A26 Q27L25-G29 PolarHBondContact O-N 3.17Å; A26-G29 PolarHBondContact O-N 3.12Å; Q27-G29 PolarHBondContact O-N 3.24Å
30I97.5Very high97.4Very high53 Ų5370 Ų7027%0.27234%0.343SS..  trans-70.3136.3175.8-58.6179000109.3L25 I28 D34 I35L25-I30 HydrophobicContact CB-CB 4.39Å; L25-I30 HydrophobicContact CB-CD1 4.12Å; L25-I30 HydrophobicContact CD2-CD1 3.54Å; L25-I30 HydrophobicContact CG-CD1 4.38Å; L25-I30 WeakPolarHBondContact O-CB 3.39Å; L25-I30 PolarHBondContact O-N 3.26Å; I28-I30 HydrophobicContact CG2-CG1 4.47Å; I30-D34 HydrophobicContact CG2-CB 3.82Å; I30-I35 HydrophobicContact CB-CD1 4.43Å; I30-I35 HydrophobicContact CB-CG1 4.1Å; I30-I35 HydrophobicContact CG2-CG1 3.74Å
31R97.9Very high97.4Very high172 Ų17267.3 Ų67.365%0.64933%0.33SS*.  trans-66.1140.7-177.3-59.1170.561.5163-0.1110.2C33 D34 I35R31-C33 VanDerWaalsContact CB-SG 3.56Å; R31-C33 PolarHBondContact O-N 2.95Å; R31-D34 WeakPolarHBondContact CB-OD2 3.44Å; R31-D34 PolarHBondContact O-N 3.47Å; R31-I35 PolarHBondContact O-N 3.49Å; R31-I35 VanDerWaalsContact O-N 3.1Å
32P97.6Very high97.4Very high56 Ų5665.5 Ų65.536%0.36433%0.332SS..Hα-helixtrans-54.7-29.4178.9-28.535.2000114.8S36 V46 L50P32-S36 WeakPolarHBondContact O-CB 3.5Å; P32-S36 PolarHBondContact O-N 2.97Å; P32-S36 VanDerWaalsContact O-N 3.1Å; P32-V46 HydrophobicContact CB-CG1 4.27Å; P32-L50 HydrophobicContact CB-CD1 4.26Å; P32-L50 HydrophobicContact CG-CD1 4.03Å
33C97.6Very high97.3Very high42 Ų4270.6 Ų70.628%0.28436%0.355SS..Hα-helixtrans-64.9-39.5174.3580000112.7R31 S36 R37R31-C33 VanDerWaalsContact CB-SG 3.56Å; R31-C33 PolarHBondContact O-N 2.95Å; C33-S36 WeakPolarHBondContact O-CB 3.22Å; C33-S36 PolarHBondContact O-N 3.44Å; C33-R37 WeakPolarHBondContact O-CG 3.02Å; C33-R37 PolarHBondContact O-N 3.25Å
34D97.7Very high97.3Very high72 Ų7272.6 Ų72.639%0.38538%0.377SS..Hα-helixtrans-76.7-40.7-177.7-56.9-30.2000109.8I30 R31 S36 R37 E38I30-D34 HydrophobicContact CG2-CB 3.82Å; R31-D34 WeakPolarHBondContact CB-OD2 3.44Å; R31-D34 PolarHBondContact O-N 3.47Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 3.35Å; D34-R37 PolarHBondContact O-N 2.9Å; D34-R37 VanDerWaalsContact O-N 3.08Å; D34-E38 WeakPolarHBondContact O-CB 3.47Å; D34-E38 PolarHBondContact O-N 3.19Å
35I97.9Very high97.3Very high0 Ų070.5 Ų70.50%037%0.371CS..Hα-helixtrans-54.6-44.2171.5-60.7176.4000111.1I22 L25 A26 I30 R31 R37 L39 V46I22-I35 HydrophobicContact CB-CG2 4.44Å; I22-I35 HydrophobicContact CG1-CG2 4.11Å; I22-I35 HydrophobicContact CG2-CG2 4.38Å; L25-I35 HydrophobicContact CB-CD1 3.8Å; L25-I35 HydrophobicContact CB-CG1 3.77Å; L25-I35 HydrophobicContact CD1-CG1 4.32Å; L25-I35 HydrophobicContact CD1-CG2 4.13Å; A26-I35 HydrophobicContact CB-CD1 3.81Å; I30-I35 HydrophobicContact CB-CD1 4.43Å; I30-I35 HydrophobicContact CB-CG1 4.1Å; I30-I35 HydrophobicContact CG2-CG1 3.74Å; R31-I35 PolarHBondContact O-N 3.49Å; R31-I35 VanDerWaalsContact O-N 3.1Å; I35-R37 VanDerWaalsContact C-N 3.33Å; I35-R37 PolarHBondContact O-N 2.93Å; I35-L39 HydrophobicContact CG2-CD1 3.84Å; I35-L39 HydrophobicContact CG2-CG 4.39Å; I35-L39 WeakPolarHBondContact O-CB 3.41Å; I35-L39 PolarHBondContact O-N 2.92Å; I35-V46 HydrophobicContact CB-CG1 4.39Å; I35-V46 HydrophobicContact CG2-CG1 4.09Å; I35-V46 HydrophobicContact CG2-CG2 4.35Å
36S97.9Very high97.3Very high9 Ų970.4 Ų70.46%0.06337%0.371CS..Hα-helixtrans-60.1-42.3178.6176.80000112P32 C33 D34 R40 V41 H43P32-S36 WeakPolarHBondContact O-CB 3.5Å; P32-S36 PolarHBondContact O-N 2.97Å; P32-S36 VanDerWaalsContact O-N 3.1Å; C33-S36 WeakPolarHBondContact O-CB 3.22Å; C33-S36 PolarHBondContact O-N 3.44Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 PolarHBondContact O-N 3.35Å; S36-R40 CarbonylContact O-C 3.59Å; S36-R40 WeakPolarHBondContact O-CA 3.4Å; S36-R40 PolarHBondContact O-N 3.14Å; S36-R40 VanDerWaalsContact O-N 3.09Å; S36-V41 WeakPolarHBondContact CA-O 3.41Å; S36-V41 WeakPolarHBondContact CB-O 3.49Å; S36-V41 PolarHBondContact O-N 3.27Å; S36-V41 VanDerWaalsContact O-N 3.07Å; S36-V41 VanDerWaalsContact O-O 3.12Å; S36-V41 PolarHBondContact OG-O 2.78Å; S36-H43 PolarHBondContact OG-N 3.45Å
37R97Very high97.3Very high178 Ų17870.9 Ų70.967%0.67237%0.372SS*.Hα-helixtrans-73.6-44.6179.7-66.8179-170.7-76.91.3112C33 D34 I35 R40C33-R37 WeakPolarHBondContact O-CG 3.02Å; C33-R37 PolarHBondContact O-N 3.25Å; D34-R37 PolarHBondContact O-N 2.9Å; D34-R37 VanDerWaalsContact O-N 3.08Å; I35-R37 VanDerWaalsContact C-N 3.33Å; I35-R37 PolarHBondContact O-N 2.93Å; R37-R40 PolarHBondContact O-N 3.34Å
38E96.1Very high97.4Very high103 Ų10372 Ų7248%0.48138%0.375SS..Hα-helixtrans-61.2-50179.7-174.6-174.9155.500111.3D34 R40D34-E38 WeakPolarHBondContact O-CB 3.47Å; D34-E38 PolarHBondContact O-N 3.19Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 PolarHBondContact O-N 3.17Å
39L96.7Very high97.4Very high42 Ų4266.1 Ų66.122%0.2235%0.345CS..THydrogen-bonded Turntrans-85.3-3.1-177.7-58-177.4000113.4R21 I22 L25 I35 V41R21-L39 HydrophobicContact CB-CD1 4.31Å; R21-L39 HydrophobicContact CG-CD1 4.01Å; R21-L39 HydrophobicContact CG-CD2 3.69Å; I22-L39 HydrophobicContact CB-CD1 4.39Å; I22-L39 HydrophobicContact CD1-CD1 4.47Å; I22-L39 HydrophobicContact CG1-CD1 3.43Å; I22-L39 VanDerWaalsContact CG1-CD1 3.43Å; L25-L39 HydrophobicContact CD1-CD1 3.92Å; L25-L39 HydrophobicContact CD1-CD2 4.12Å; L25-L39 HydrophobicContact CD1-CG 4Å; I35-L39 HydrophobicContact CG2-CD1 3.84Å; I35-L39 HydrophobicContact CG2-CG 4.39Å; I35-L39 WeakPolarHBondContact O-CB 3.41Å; I35-L39 PolarHBondContact O-N 2.92Å; L39-V41 HydrophobicContact CB-CG2 4.13Å; L39-V41 PolarHBondContact O-N 2.88Å
40R97.1Very high97.5Very high146 Ų14664.1 Ų64.155%0.55132%0.319SS*.THydrogen-bonded Turntrans52.935.5-175.1-54.2179.6-178.4173.50.6112.8N2 L4 G6 S36 R37 E38N2-R40 PolarHBondContact ND2-O 2.93Å; L4-R40 HydrophobicContact CB-CB 4.18Å; L4-R40 WeakPolarHBondContact O-CB 3.4Å; L4-R40 WeakPolarHBondContact O-CD 3.45Å; L4-R40 WeakPolarHBondContact O-CG 3.45Å; G6-R40 WeakPolarHBondContact CA-O 3.29Å; S36-R40 CarbonylContact O-C 3.59Å; S36-R40 WeakPolarHBondContact O-CA 3.4Å; S36-R40 PolarHBondContact O-N 3.14Å; S36-R40 VanDerWaalsContact O-N 3.09Å; R37-R40 PolarHBondContact O-N 3.34Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 PolarHBondContact O-N 3.17Å
41V96.9Very high97.5Very high9 Ų966 Ų666%0.05533%0.33CS..  trans-105.4140.2177.8173.40000108.5L4 L14 T18 I22 S36 L39 H43 C45 V46L4-V41 WeakPolarHBondContact CD1-O 3.43Å; L14-V41 HydrophobicContact CD1-CG2 4.17Å; L14-V41 HydrophobicContact CD2-CG1 4.15Å; L14-V41 HydrophobicContact CD2-CG2 4.02Å; T18-V41 HydrophobicContact CG2-CG2 3.94Å; I22-V41 HydrophobicContact CD1-CG1 4.36Å; S36-V41 WeakPolarHBondContact CA-O 3.41Å; S36-V41 WeakPolarHBondContact CB-O 3.49Å; S36-V41 PolarHBondContact O-N 3.27Å; S36-V41 VanDerWaalsContact O-N 3.07Å; S36-V41 VanDerWaalsContact O-O 3.12Å; S36-V41 PolarHBondContact OG-O 2.78Å; L39-V41 HydrophobicContact CB-CG2 4.13Å; L39-V41 PolarHBondContact O-N 2.88Å; V41-H43 PolarHBondContact O-N 3.27Å; V41-C45 HydrophobicContact CG1-CB 3.64Å; V41-V46 HydrophobicContact CB-CG2 4.21Å; V41-V46 HydrophobicContact CG1-CG2 3.96Å
42S97.1Very high97.5Very high60 Ų6062 Ų6242%0.4232%0.315SS..  trans-58.6140.1179.965.10000111.9G44 C45 V46S42-G44 PolarHBondContact O-N 3.25Å; S42-C45 WeakPolarHBondContact O-CA 3.3Å; S42-C45 WeakPolarHBondContact O-CB 3.48Å; S42-C45 PolarHBondContact O-N 3.49Å; S42-C45 WeakPolarHBondContact OG-CB 3.49Å; S42-V46 PolarHBondContact O-N 3.26Å; S42-V46 VanDerWaalsContact O-N 3.12Å
43H97.5Very high97.5Very high106 Ų10662.8 Ų62.849%0.49131%0.311SS..Hα-helixtrans-52.7-41.2-179.7-179.7-100.4000112.4S36 V41 C45 V46 S47S36-H43 PolarHBondContact OG-N 3.45Å; V41-H43 PolarHBondContact O-N 3.27Å; H43-C45 VanDerWaalsContact C-N 3.31Å; H43-C45 PolarHBondContact O-N 3.34Å; H43-V46 PolarHBondContact O-N 3.06Å; H43-S47 WeakPolarHBondContact O-CB 3.4Å; H43-S47 PolarHBondContact O-N 2.95Å
44G97.5Very high97.4Very high49 Ų4968.2 Ų68.251%0.50533%0.332SS..Hα-helixtrans-63.5-31.3176.200000114.2S42 K48S42-G44 PolarHBondContact O-N 3.25Å; G44-K48 VanDerWaalsContact O-CB 3.28Å; G44-K48 WeakPolarHBondContact O-CB 3.48Å; G44-K48 PolarHBondContact O-N 3.03Å; G44-K48 VanDerWaalsContact O-N 3.12Å
45C97Very high97.4Very high35 Ų3568.9 Ų68.924%0.23635%0.348CS..Hα-helixtrans-72.3-44.3173.9-175.20000111.2V41 S42 H43 K48 I49V41-C45 HydrophobicContact CG1-CB 3.64Å; S42-C45 WeakPolarHBondContact O-CA 3.3Å; S42-C45 WeakPolarHBondContact O-CB 3.48Å; S42-C45 PolarHBondContact O-N 3.49Å; S42-C45 WeakPolarHBondContact OG-CB 3.49Å; H43-C45 VanDerWaalsContact C-N 3.31Å; H43-C45 PolarHBondContact O-N 3.34Å; C45-K48 PolarHBondContact O-N 2.92Å; C45-I49 WeakPolarHBondContact O-CG1 3.46Å; C45-I49 PolarHBondContact O-N 3.48Å
46V98.1Very high97.3Very high0 Ų073.2 Ų73.20%037%0.374CS..Hα-helixtrans-56.7-53174.8175.50000110.4I22 P32 I35 V41 S42 H43 K48 I49 L50I22-V46 HydrophobicContact CD1-CG2 4.29Å; I22-V46 HydrophobicContact CG2-CG1 4.02Å; P32-V46 HydrophobicContact CB-CG1 4.27Å; I35-V46 HydrophobicContact CB-CG1 4.39Å; I35-V46 HydrophobicContact CG2-CG1 4.09Å; I35-V46 HydrophobicContact CG2-CG2 4.35Å; V41-V46 HydrophobicContact CB-CG2 4.21Å; V41-V46 HydrophobicContact CG1-CG2 3.96Å; S42-V46 PolarHBondContact O-N 3.26Å; S42-V46 VanDerWaalsContact O-N 3.12Å; H43-V46 PolarHBondContact O-N 3.06Å; V46-K48 VanDerWaalsContact C-N 3.33Å; V46-K48 PolarHBondContact O-N 2.97Å; V46-I49 PolarHBondContact O-N 3.27Å; V46-I49 VanDerWaalsContact O-N 3.12Å; V46-L50 HydrophobicContact CG1-CD1 3.9Å; V46-L50 HydrophobicContact CG1-CG 4.37Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.17Å
47S98.2Very high97.3Very high42 Ų4275.1 Ų75.129%0.29440%0.396SS..Hα-helixtrans-56.6-44.5178174.40000112.2H43 I49 L50 N51H43-S47 WeakPolarHBondContact O-CB 3.4Å; H43-S47 PolarHBondContact O-N 2.95Å; S47-I49 VanDerWaalsContact C-N 3.32Å; S47-I49 PolarHBondContact O-N 2.96Å; S47-L50 PolarHBondContact O-N 2.93Å; S47-N51 WeakPolarHBondContact O-CB 3.38Å; S47-N51 PolarHBondContact O-N 3.17Å; S47-N51 PolarHBondContact O-OD1 2.79Å
48K97.8Very high97.2Very high150 Ų15068.7 Ų68.765%0.65238%0.378SS*.Hα-helixtrans-62.6-36.1178.1-172.1179.6-62.2179.60113G44 C45 V46 R52G44-K48 VanDerWaalsContact O-CB 3.28Å; G44-K48 WeakPolarHBondContact O-CB 3.48Å; G44-K48 PolarHBondContact O-N 3.03Å; G44-K48 VanDerWaalsContact O-N 3.12Å; C45-K48 PolarHBondContact O-N 2.92Å; V46-K48 VanDerWaalsContact C-N 3.33Å; V46-K48 PolarHBondContact O-N 2.97Å; K48-R52 WeakPolarHBondContact O-CB 3.42Å; K48-R52 PolarHBondContact O-N 3.2Å
49I97.9Very high97.2Very high3 Ų365.3 Ų65.32%0.01537%0.365CS..Hα-helixtrans-71.4-46.4177.4-69.6166.2000110.3L14 R19 I22 V23 C45 V46 S47 R52 Y53L14-I49 HydrophobicContact CD2-CD1 3.93Å; R19-I49 HydrophobicContact CG-CD1 3.94Å; I22-I49 HydrophobicContact CD1-CD1 3.55Å; I22-I49 HydrophobicContact CG2-CB 4.37Å; I22-I49 HydrophobicContact CG2-CG2 4.04Å; V23-I49 HydrophobicContact CG2-CG2 4.23Å; C45-I49 WeakPolarHBondContact O-CG1 3.46Å; C45-I49 PolarHBondContact O-N 3.48Å; V46-I49 PolarHBondContact O-N 3.27Å; V46-I49 VanDerWaalsContact O-N 3.12Å; S47-I49 VanDerWaalsContact C-N 3.32Å; S47-I49 PolarHBondContact O-N 2.96Å; I49-R52 PolarHBondContact O-N 3.09Å; I49-Y53 WeakPolarHBondContact O-CB 3.34Å; I49-Y53 PolarHBondContact O-N 3.42Å
50L98.1Very high97.2Very high19 Ų1967.9 Ų67.910%0.09938%0.378CS..Hα-helixtrans-64.2-46.2-179.7-65.3177.8000112.2I22 V23 A26 P32 V46 S47 R52 Y53 Q54I22-L50 HydrophobicContact CG2-CD2 3.92Å; I22-L50 HydrophobicContact CG2-CG 4.14Å; V23-L50 HydrophobicContact CG2-CD2 4.49Å; A26-L50 HydrophobicContact CB-CD1 4.16Å; A26-L50 HydrophobicContact CB-CD2 3.46Å; A26-L50 VanDerWaalsContact CB-CD2 3.46Å; A26-L50 HydrophobicContact CB-CG 4.48Å; P32-L50 HydrophobicContact CB-CD1 4.26Å; P32-L50 HydrophobicContact CG-CD1 4.03Å; V46-L50 HydrophobicContact CG1-CD1 3.9Å; V46-L50 HydrophobicContact CG1-CG 4.37Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.17Å; S47-L50 PolarHBondContact O-N 2.93Å; L50-R52 VanDerWaalsContact C-N 3.29Å; L50-R52 PolarHBondContact O-N 2.71Å; L50-Y53 PolarHBondContact O-N 3.35Å; L50-Y53 VanDerWaalsContact O-N 3.14Å; L50-Q54 WeakPolarHBondContact O-CG 3.35Å; L50-Q54 PolarHBondContact O-N 2.95Å
51N97.8Very high97.1Very high92 Ų9263.4 Ų63.449%0.49237%0.368SS..Hα-helixtrans-60.4-40.7177.5-69-2.8000111.6S47 A55S47-N51 WeakPolarHBondContact O-CB 3.38Å; S47-N51 PolarHBondContact O-N 3.17Å; S47-N51 PolarHBondContact O-OD1 2.79Å; N51-A55 WeakPolarHBondContact O-CB 3.4Å; N51-A55 PolarHBondContact O-N 3.08Å
52R97.3Very high96.9Very high88 Ų8864.5 Ų64.533%0.33238%0.381SS..Hα-helixtrans-63.9-46.7174.5175.7-178.2-66.6-134.5-8.3111.4K48 I49 L50 Q54 A55 T56 L60 P61K48-R52 WeakPolarHBondContact O-CB 3.42Å; K48-R52 PolarHBondContact O-N 3.2Å; I49-R52 PolarHBondContact O-N 3.09Å; L50-R52 VanDerWaalsContact C-N 3.29Å; L50-R52 PolarHBondContact O-N 2.71Å; R52-Q54 VanDerWaalsContact C-N 3.27Å; R52-Q54 PolarHBondContact O-N 2.93Å; R52-A55 PolarHBondContact O-N 3.4Å; R52-A55 VanDerWaalsContact O-N 3.1Å; R52-T56 PolarHBondContact O-N 3.12Å; R52-T56 PolarHBondContact O-OG1 3.25Å; R52-T56 VanDerWaalsContact O-OG1 3.07Å; R52-L60 PolarHBondContact NH1-O 3.26Å; R52-L60 VanDerWaalsContact NH1-O 3.11Å; R52-P61 VanDerWaalsContact NH1-C 3.26Å
53Y97.7Very high96.6Very high74 Ų7467 Ų6729%0.2941%0.405SS..Hα-helixtrans-61.2-38.8-179.5-178.4-100.9000111.4V23 Q27 I49 L50 G57 V59V23-Y53 HydrophobicContact CG1-CD1 3.76Å; V23-Y53 HydrophobicContact CG1-CD2 4.05Å; V23-Y53 HydrophobicContact CG1-CE1 3.55Å; V23-Y53 HydrophobicContact CG1-CE2 3.85Å; V23-Y53 HydrophobicContact CG1-CG 4.01Å; V23-Y53 HydrophobicContact CG2-CD1 4.33Å; V23-Y53 HydrophobicContact CG2-CD2 4.07Å; V23-Y53 HydrophobicContact CG2-CG 3.91Å; Q27-Y53 PolarHBondContact NE2-OH 3.43Å; I49-Y53 WeakPolarHBondContact O-CB 3.34Å; I49-Y53 PolarHBondContact O-N 3.42Å; L50-Y53 PolarHBondContact O-N 3.35Å; L50-Y53 VanDerWaalsContact O-N 3.14Å; Y53-G57 VanDerWaalsContact CE2-O 3.25Å; Y53-G57 WeakPolarHBondContact CE2-O 3.5Å; Y53-G57 WeakPolarHBondContact O-CA 3.09Å; Y53-G57 PolarHBondContact O-N 3.14Å; Y53-V59 HydrophobicContact CD2-CG1 4.06Å; Y53-V59 HydrophobicContact CE2-CG1 4.3Å
54Q97Very high96.3Very high155 Ų15567.7 Ų67.772%0.72441%0.411SS*.Hα-helixtrans-65-38173.2-70.7173.4-100112.6L50 R52L50-Q54 WeakPolarHBondContact O-CG 3.35Å; L50-Q54 PolarHBondContact O-N 2.95Å; R52-Q54 VanDerWaalsContact C-N 3.27Å; R52-Q54 PolarHBondContact O-N 2.93Å
55A97.1Very high95.9Very high86 Ų8668.6 Ų68.671%0.71142%0.421SS*.Hα-helixtrans-78.5-33.6-178.900000114.3N51 R52N51-A55 WeakPolarHBondContact O-CB 3.4Å; N51-A55 PolarHBondContact O-N 3.08Å; R52-A55 PolarHBondContact O-N 3.4Å; R52-A55 VanDerWaalsContact O-N 3.1Å
56T96.3Very high95.5Very high91 Ų9171.1 Ų71.156%0.55845%0.453SS*.Hα-helixtrans-125-12-170.871.10000114.9R52 S58R52-T56 PolarHBondContact O-N 3.12Å; R52-T56 PolarHBondContact O-OG1 3.25Å; R52-T56 VanDerWaalsContact O-OG1 3.07Å; T56-S58 PolarHBondContact O-N 3.37Å; T56-S58 VanDerWaalsContact O-N 3.16Å; T56-S58 WeakPolarHBondContact OG1-CB 3.38Å; T56-S58 PolarHBondContact OG1-N 3.44Å; T56-S58 VanDerWaalsContact OG1-N 3.16Å
57G96.1Very high95.1Very high50 Ų5076.4 Ų76.452%0.51549%0.49SS..SBendtrans68.41.1-169.800000114.5Y53Y53-G57 VanDerWaalsContact CE2-O 3.25Å; Y53-G57 WeakPolarHBondContact CE2-O 3.5Å; Y53-G57 WeakPolarHBondContact O-CA 3.09Å; Y53-G57 PolarHBondContact O-N 3.14Å
58S96.3Very high94.4Very high43 Ų4383.1 Ų83.130%0.30151%0.514SS..  trans-101.8128.7-173.5-171.70000112.6T56 L60T56-S58 PolarHBondContact O-N 3.37Å; T56-S58 VanDerWaalsContact O-N 3.16Å; T56-S58 WeakPolarHBondContact OG1-CB 3.38Å; T56-S58 PolarHBondContact OG1-N 3.44Å; T56-S58 VanDerWaalsContact OG1-N 3.16Å; S58-L60 WeakPolarHBondContact OG-CB 3.43Å; S58-L60 PolarHBondContact OG-N 2.82Å; S58-L60 VanDerWaalsContact OG-N 3.09Å
59V96.2Very high93.7Very high32 Ų3280.3 Ų80.319%0.19451%0.51CS..  trans-77.2-9.1167.4-63.60000112.3L16 R19 I20 V23 Y53L16-V59 HydrophobicContact CD1-CG2 3.8Å; R19-V59 PolarHBondContact NE-O 2.89Å; R19-V59 PolarHBondContact NH2-O 3.25Å; I20-V59 HydrophobicContact CG1-CG2 4.19Å; V23-V59 HydrophobicContact CB-CG1 4.45Å; V23-V59 HydrophobicContact CG2-CG1 3.95Å; Y53-V59 HydrophobicContact CD2-CG1 4.06Å; Y53-V59 HydrophobicContact CE2-CG1 4.3Å
60L96Very high92.9Very high96 Ų9691.3 Ų91.350%0.50355%0.552SS.*SBendtrans-74.6141-173.8-62.1176.1000112L16 R19 R52 S58L16-L60 HydrophobicContact CD1-CD2 4.05Å; R19-L60 PolarHBondContact NH2-O 3.13Å; R52-L60 PolarHBondContact NH1-O 3.26Å; R52-L60 VanDerWaalsContact NH1-O 3.11Å; S58-L60 WeakPolarHBondContact OG-CB 3.43Å; S58-L60 PolarHBondContact OG-N 2.82Å; S58-L60 VanDerWaalsContact OG-N 3.09Å
61P95.4Very high92.1Very high51 Ų5192.7 Ų92.733%0.33156%0.561SS.*PPolyproline II helixtrans-64.2157.6168.930.6-34.6000110P13 R52P13-P61 HydrophobicContact CB-CB 3.57Å; P13-P61 HydrophobicContact CB-CG 3.81Å; P13-P61 HydrophobicContact CG-CB 4.15Å; P13-P61 HydrophobicContact CG-CG 3.96Å; R52-P61 VanDerWaalsContact NH1-C 3.26Å
62G93.2Very high91.5Very high33 Ų3390.4 Ų90.434%0.3455%0.55SS.*PPolyproline II helixtrans-74.8164177.800000109.1I64G62-I64 PolarHBondContact O-N 3.48Å
63A91.2Very high91.1Very high112 Ų11289 Ų8993%0.92655%0.551SS**PPolyproline II helixtrans-56.1127.8167.700000109.2
64I89.4Confident90.7Very high121 Ų12190.7 Ų90.762%0.62157%0.572SS**  trans-108.1132.2177-60.7174.1000107.4P13 G62P13-I64 HydrophobicContact CB-CD1 4.48Å; P13-I64 HydrophobicContact CG-CD1 4.33Å; G62-I64 PolarHBondContact O-N 3.48Å
65G89.3Confident90.4Very high68 Ų6887 Ų8770%0.70156%0.563SS**  trans83.4-162.8-179.100000113
66G89Confident90.2Very high88 Ų8883.2 Ų83.291%0.90753%0.531SS*.  trans87.4164.6-168.700000112.6
67S89.7Confident90Very high111 Ų11180.5 Ų80.578%0.77651%0.514SS*.  trans-129.7145.4173.260.80000108.8
68K84Confident89.9Confident183 Ų18383.9 Ų83.980%0.79652%0.517SS*.  trans-64.2139172-66-179.6178.8179.80108.7R70K68-R70 PolarHBondContact O-N 2.77Å
69P82.9Confident89.7Confident90 Ų9083.8 Ų83.858%0.58451%0.511SS*.  trans-60.7126.117825.3-33.1000109.8T72P69-T72 WeakPolarHBondContact CB-O 3.42Å
70R81.1Confident89.6Confident234 Ų23482.3 Ų82.388%0.88350%0.502SS*.SBendtrans-85.3-44.1-177.1-64.5-173.8178.2-150.7-0.3113.1K68K68-R70 PolarHBondContact O-N 2.77Å
71V80.5Confident89.5Confident48 Ų4880.6 Ų80.629%0.29149%0.491SS..SBendtrans-112.8-27.9-174.1163.90000111.4T73 V109 P111V71-T73 VanDerWaalsContact C-N 3.26Å; V71-T73 PolarHBondContact O-N 2.95Å; V71-V109 WeakPolarHBondContact CG1-O 3.33Å; V71-P111 HydrophobicContact CG1-CB 3.86Å; V71-P111 HydrophobicContact CG1-CG 4.47Å
72T86.1Confident89.5Confident45 Ų4582.5 Ų82.528%0.27650%0.496SS..  trans-86.363.8-178.3-50.10000110.6P69 V77 I119P69-T72 WeakPolarHBondContact CB-O 3.42Å; T72-V77 HydrophobicContact CG2-CG2 3.23Å; T72-I119 HydrophobicContact CG2-CD1 3.51Å; T72-I119 HydrophobicContact CG2-CG1 3.9Å
73T87.9Confident89.6Confident57 Ų5781.6 Ų81.635%0.3548%0.484SS..  trans-67.1153.3175.866.90000110.3V71 S75 V76 V77V71-T73 VanDerWaalsContact C-N 3.26Å; V71-T73 PolarHBondContact O-N 2.95Å; T73-S75 PolarHBondContact O-N 3.24Å; T73-V76 PolarHBondContact O-N 3.1Å; T73-V76 VanDerWaalsContact O-N 3.12Å; T73-V76 VanDerWaalsContact OG1-CG2 3.24Å; T73-V76 WeakPolarHBondContact OG1-CG2 3.49Å; T73-V76 PolarHBondContact OG1-N 3.39Å; T73-V77 WeakPolarHBondContact O-CG2 3.43Å; T73-V77 PolarHBondContact O-N 3.35Å
74P90.4Very high89.7Confident110 Ų11079.3 Ų79.371%0.71445%0.453SS*.Hα-helixtrans-55.9-35.3179.1-27.535.5000113.6V77 H78P74-V77 PolarHBondContact O-N 3.36Å; P74-H78 WeakPolarHBondContact O-CB 3.48Å; P74-H78 PolarHBondContact O-N 2.84Å
75S90.2Very high89.9Confident79 Ų7979.8 Ų79.855%0.55245%0.452SS*.Hα-helixtrans-63.2-47.9175.9174.10000111.9T73 V77 H78 H79T73-S75 PolarHBondContact O-N 3.24Å; S75-V77 VanDerWaalsContact C-N 3.34Å; S75-V77 PolarHBondContact O-N 3.06Å; S75-H78 PolarHBondContact O-N 3.11Å; S75-H79 PolarHBondContact O-N 3.41Å
76V92.5Very high90.2Very high6 Ų687 Ų874%0.03646%0.459CS..Hα-helixtrans-62.8-42177.2173.60000111T73 H78 H79 I80 L99 I104 C105 P111T73-V76 PolarHBondContact O-N 3.1Å; T73-V76 VanDerWaalsContact O-N 3.12Å; T73-V76 VanDerWaalsContact OG1-CG2 3.24Å; T73-V76 WeakPolarHBondContact OG1-CG2 3.49Å; T73-V76 PolarHBondContact OG1-N 3.39Å; V76-H78 PolarHBondContact O-N 2.84Å; V76-H79 PolarHBondContact O-N 3.07Å; V76-I80 HydrophobicContact CG1-CD1 3.76Å; V76-I80 HydrophobicContact CG1-CG1 4.38Å; V76-I80 WeakPolarHBondContact O-CB 3.41Å; V76-I80 WeakPolarHBondContact O-CD1 3.37Å; V76-I80 WeakPolarHBondContact O-CG1 3.39Å; V76-I80 PolarHBondContact O-N 3.32Å; V76-L99 HydrophobicContact CG1-CD1 4.37Å; V76-L99 HydrophobicContact CG1-CD2 4.36Å; V76-I104 HydrophobicContact CG2-CG2 4.07Å; V76-C105 WeakPolarHBondContact CG2-SG 3.4Å; V76-P111 HydrophobicContact CG1-CG 4.09Å
77V93.1Very high90.4Very high33 Ų3384.8 Ų84.820%0.243%0.426CS..Hα-helixtrans-61.1-45176.3173.40000111.2T72 T73 P74 S75 I80 K81 I119T72-V77 HydrophobicContact CG2-CG2 3.23Å; T73-V77 WeakPolarHBondContact O-CG2 3.43Å; T73-V77 PolarHBondContact O-N 3.35Å; P74-V77 PolarHBondContact O-N 3.36Å; S75-V77 VanDerWaalsContact C-N 3.34Å; S75-V77 PolarHBondContact O-N 3.06Å; V77-I80 PolarHBondContact O-N 3.43Å; V77-K81 HydrophobicContact CG1-CD 4.42Å; V77-K81 WeakPolarHBondContact O-CG 3.28Å; V77-K81 PolarHBondContact O-N 3.16Å; V77-K81 VanDerWaalsContact O-N 3.09Å; V77-I119 HydrophobicContact CG1-CG2 3.94Å; V77-I119 HydrophobicContact CG2-CD1 4.32Å; V77-I119 HydrophobicContact CG2-CG2 4.37Å
78H92.8Very high90.6Very high122 Ų12284 Ų8457%0.56542%0.418SS*.Hα-helixtrans-60.4-46.6177.6-177.176.1000111.2P74 S75 V76 I80 K81 M82P74-H78 WeakPolarHBondContact O-CB 3.48Å; P74-H78 PolarHBondContact O-N 2.84Å; S75-H78 PolarHBondContact O-N 3.11Å; V76-H78 PolarHBondContact O-N 2.84Å; H78-I80 PolarHBondContact O-N 3.18Å; H78-K81 PolarHBondContact O-N 3.36Å; H78-M82 WeakPolarHBondContact O-CG 3.25Å; H78-M82 PolarHBondContact O-N 3.12Å
79H93.4Very high91.2Very high41 Ų4180.5 Ų80.519%0.1941%0.412CS..Hα-helixtrans-62.6-43.2178.5-160.375.4000112.9S75 V76 K81 M82 L83 L99 D102S75-H79 PolarHBondContact O-N 3.41Å; V76-H79 PolarHBondContact O-N 3.07Å; H79-K81 VanDerWaalsContact C-N 3.27Å; H79-K81 PolarHBondContact O-N 2.9Å; H79-M82 PolarHBondContact O-N 3.18Å; H79-L83 WeakPolarHBondContact O-CG 2.92Å; H79-L83 PolarHBondContact O-N 3.16Å; H79-L99 HydrophobicContact CB-CD2 4.25Å; H79-D102 IonicContact CD2-OD2 3.11Å; H79-D102 IonicContact CE1-OD2 3.69Å; H79-D102 PolarHBondContact CE1-OD2 3.07Å; H79-D102 IonicContact NE2-OD2 3.89Å; H79-D102 PolarHBondContact NE2-OD2 3.21Å
80I94.5Very high91.7Very high0 Ų076.2 Ų76.20%038%0.384CS..Hα-helixtrans-56.6-43.4174.6-71.5166.5000110.9V76 V77 H78 K84 I95 L99 P111 I116 I119 L120V76-I80 HydrophobicContact CG1-CD1 3.76Å; V76-I80 HydrophobicContact CG1-CG1 4.38Å; V76-I80 WeakPolarHBondContact O-CB 3.41Å; V76-I80 WeakPolarHBondContact O-CD1 3.37Å; V76-I80 WeakPolarHBondContact O-CG1 3.39Å; V76-I80 PolarHBondContact O-N 3.32Å; V77-I80 PolarHBondContact O-N 3.43Å; H78-I80 PolarHBondContact O-N 3.18Å; I80-K84 PolarHBondContact O-N 3.2Å; I80-K84 VanDerWaalsContact O-N 3.14Å; I80-I95 HydrophobicContact CB-CG2 4.38Å; I80-I95 HydrophobicContact CG1-CG2 3.86Å; I80-I95 HydrophobicContact CG2-CD1 4.49Å; I80-I95 HydrophobicContact CG2-CG2 4.25Å; I80-L99 HydrophobicContact CD1-CD1 4.15Å; I80-L99 HydrophobicContact CG1-CD1 3.86Å; I80-L99 HydrophobicContact CG1-CD2 4.41Å; I80-P111 HydrophobicContact CD1-CG 4.26Å; I80-I116 HydrophobicContact CD1-CG1 4.12Å; I80-I116 HydrophobicContact CG2-CG2 4.12Å; I80-I119 HydrophobicContact CD1-CD1 3.72Å; I80-I119 HydrophobicContact CG2-CG2 4.18Å; I80-L120 HydrophobicContact CG2-CD2 3.66Å; I80-L120 HydrophobicContact CG2-CG 4.2Å
81K93.7Very high92.4Very high61 Ų6171.2 Ų71.227%0.26537%0.369SS..Hα-helixtrans-67.3-42.2178.1-69.3-176.6-177.4-161.30111.6V77 H78 H79 K84 Q85 N123V77-K81 HydrophobicContact CG1-CD 4.42Å; V77-K81 WeakPolarHBondContact O-CG 3.28Å; V77-K81 PolarHBondContact O-N 3.16Å; V77-K81 VanDerWaalsContact O-N 3.09Å; H78-K81 PolarHBondContact O-N 3.36Å; H79-K81 VanDerWaalsContact C-N 3.27Å; H79-K81 PolarHBondContact O-N 2.9Å; K81-K84 PolarHBondContact O-N 3.29Å; K81-Q85 WeakPolarHBondContact O-CB 3.43Å; K81-Q85 VanDerWaalsContact O-CG 3.29Å; K81-Q85 WeakPolarHBondContact O-CG 3.39Å; K81-Q85 PolarHBondContact O-N 2.92Å; K81-N123 WeakPolarHBondContact CD-OD1 3.46Å; K81-N123 WeakPolarHBondContact CE-OD1 3.17Å; K81-N123 PolarHBondContact NZ-OD1 3.33Å
82M94.4Very high93.2Very high90 Ų9069.6 Ų69.644%0.44336%0.36SS..Hα-helixtrans-60-45176.4-74.1-61-61.600112H78 H79 K84 Q85 R86H78-M82 WeakPolarHBondContact O-CG 3.25Å; H78-M82 PolarHBondContact O-N 3.12Å; H79-M82 PolarHBondContact O-N 3.18Å; M82-K84 VanDerWaalsContact C-N 3.35Å; M82-K84 PolarHBondContact O-N 3.42Å; M82-Q85 PolarHBondContact O-N 3.33Å; M82-R86 WeakPolarHBondContact O-CB 3.37Å; M82-R86 PolarHBondContact O-N 3.34Å
83L94.6Very high93.7Very high15 Ų1573.5 Ų73.58%0.07937%0.37CS..Hα-helixtrans-60.5-43.2176-71.6174.1000111.8H79 R86 D87 I95 R98H79-L83 WeakPolarHBondContact O-CG 2.92Å; H79-L83 PolarHBondContact O-N 3.16Å; L83-R86 PolarHBondContact O-N 3.36Å; L83-D87 PolarHBondContact O-N 3.02Å; L83-I95 HydrophobicContact CD1-CG2 4.15Å; L83-R98 HydrophobicContact CD1-CB 3.87Å; L83-R98 HydrophobicContact CD2-CB 4.45Å
84K94Very high94.1Very high64 Ų6473.2 Ų73.228%0.27837%0.365SS..Hα-helixtrans-70.4-29.9178-167.460.7164.4175.50113.4I80 K81 M82 D87 P88 I90 L120I80-K84 PolarHBondContact O-N 3.2Å; I80-K84 VanDerWaalsContact O-N 3.14Å; K81-K84 PolarHBondContact O-N 3.29Å; M82-K84 VanDerWaalsContact C-N 3.35Å; M82-K84 PolarHBondContact O-N 3.42Å; K84-D87 CarbonylContact O-C 3.36Å; K84-P88 WeakPolarHBondContact CE-O 3.37Å; K84-P88 PolarHBondContact NZ-O 3.3Å; K84-P88 WeakPolarHBondContact O-CA 3.49Å; K84-I90 HydrophobicContact CD-CG2 3.7Å; K84-I90 PolarHBondContact NZ-O 3.14Å; K84-L120 HydrophobicContact CB-CD2 3.85Å; K84-L120 HydrophobicContact CD-CD1 4.5Å; K84-L120 HydrophobicContact CG-CD2 3.89Å
85Q94Very high94.3Very high131 Ų13168 Ų6861%0.61233%0.331SS*.Hα-helixtrans-72.9-41.5175.1-76.6174.24.400111.8K81 M82 D87K81-Q85 WeakPolarHBondContact O-CB 3.43Å; K81-Q85 VanDerWaalsContact O-CG 3.29Å; K81-Q85 WeakPolarHBondContact O-CG 3.39Å; K81-Q85 PolarHBondContact O-N 2.92Å; M82-Q85 PolarHBondContact O-N 3.33Å; Q85-D87 VanDerWaalsContact C-N 3.33Å
86R94.7Very high94.6Very high220 Ų22068.9 Ų68.983%0.8332%0.322SS*.Hα-helixtrans-66.1-37.6176.1-179.1177.8174.8171-0.5112M82 L83M82-R86 WeakPolarHBondContact O-CB 3.37Å; M82-R86 PolarHBondContact O-N 3.34Å; L83-R86 PolarHBondContact O-N 3.36Å
87D93.9Very high94.7Very high41 Ų4174.1 Ų74.122%0.21935%0.346CS..  trans-138.891.7-175-176.20.4000110L83 K84 Q85 T89 I90 R98L83-D87 PolarHBondContact O-N 3.02Å; K84-D87 CarbonylContact O-C 3.36Å; Q85-D87 VanDerWaalsContact C-N 3.33Å; D87-T89 PolarHBondContact O-N 3.12Å; D87-T89 PolarHBondContact OD1-N 3.45Å; D87-T89 PolarHBondContact OD1-OG1 2.84Å; D87-I90 HydrophobicContact CB-CB 4.21Å; D87-I90 WeakPolarHBondContact O-CB 3.09Å; D87-I90 WeakPolarHBondContact O-CG2 3.42Å; D87-I90 PolarHBondContact O-N 3.46Å; D87-R98 IonicContact OD2-CZ 2.74Å; D87-R98 IonicContact OD2-NH1 3.4Å; D87-R98 IonicContact OD2-NH2 3.93Å; D87-R98 PolarHBondContact OD2-NH2 3.42Å; D87-R98 VanDerWaalsContact OD2-NH2 3.11Å
88P94.3Very high94.8Very high94 Ų9476.3 Ų76.361%0.6135%0.351SS*.THydrogen-bonded Turntrans-66.4-19.3-177.7-24.135.2000114.1K84 I90K84-P88 WeakPolarHBondContact CE-O 3.37Å; K84-P88 PolarHBondContact NZ-O 3.3Å; K84-P88 WeakPolarHBondContact O-CA 3.49Å; P88-I90 VanDerWaalsContact C-N 3.35Å
89T95.1Very high94.9Very high110 Ų11070.5 Ų70.568%0.67532%0.324SS*.THydrogen-bonded Turntrans-84.9-13.9179.862.40000112.2D87 F91D87-T89 PolarHBondContact O-N 3.12Å; D87-T89 PolarHBondContact OD1-N 3.45Å; D87-T89 PolarHBondContact OD1-OG1 2.84Å; T89-F91 PolarHBondContact O-N 2.9Å
90I95.1Very high94.9Very high0 Ų071.8 Ų71.80%033%0.332CS..  trans-54.9130.3-178.7-160.4-177.7000112.5K84 D87 P88 E94 I95 R98K84-I90 HydrophobicContact CD-CG2 3.7Å; K84-I90 PolarHBondContact NZ-O 3.14Å; D87-I90 HydrophobicContact CB-CB 4.21Å; D87-I90 WeakPolarHBondContact O-CB 3.09Å; D87-I90 WeakPolarHBondContact O-CG2 3.42Å; D87-I90 PolarHBondContact O-N 3.46Å; P88-I90 VanDerWaalsContact C-N 3.35Å; I90-E94 WeakPolarHBondContact CA-OE2 3.31Å; I90-E94 HydrophobicContact CD1-CB 4.12Å; I90-E94 HydrophobicContact CG1-CB 3.63Å; I90-E94 WeakPolarHBondContact CG1-OE2 3.38Å; I90-I95 HydrophobicContact CD1-CG1 3.63Å; I90-I95 HydrophobicContact CG1-CG1 4.06Å; I90-I95 HydrophobicContact CG2-CD1 3.95Å; I90-I95 HydrophobicContact CG2-CG1 3.87Å; I90-R98 VanDerWaalsContact CD1-NH1 3.3Å
91F96.1Very high94.9Very high129 Ų12975.8 Ų75.857%0.56637%0.365SS*.  trans-82.3157177.2-66.3-75.5000111.8T89 W93 E94 I95T89-F91 PolarHBondContact O-N 2.9Å; F91-W93 HydrophobicContact CB-CG 4.37Å; F91-W93 VanDerWaalsContact CB-NE1 3.34Å; F91-W93 AromaticContact CG-NE1 3.82Å; F91-W93 PolarHBondContact O-N 2.9Å; F91-E94 HydrophobicContact CB-CG 4.27Å; F91-E94 PolarHBondContact N-OE2 3.12Å; F91-E94 WeakPolarHBondContact O-CB 3.48Å; F91-E94 PolarHBondContact O-N 3.46Å; F91-E94 VanDerWaalsContact O-N 3.17Å; F91-I95 WeakPolarHBondContact O-CG1 3.48Å; F91-I95 PolarHBondContact O-N 2.91Å
92A96.1Very high94.8Very high13 Ų1377 Ų7711%0.10737%0.374CS..Hα-helixtrans-64.7-27.3-177.500000113.6R96 V113 I116 S117A92-R96 PolarHBondContact O-N 3.46Å; A92-V113 HydrophobicContact CB-CG1 3.64Å; A92-I116 HydrophobicContact CB-CB 4.31Å; A92-I116 HydrophobicContact CB-CG2 3.93Å; A92-I116 WeakPolarHBondContact O-CD1 3.36Å; A92-S117 WeakPolarHBondContact CB-OG 3.39Å
93W96.2Very high94.6Very high127 Ų12775.7 Ų75.748%0.48138%0.384SS..Hα-helixtrans-73.8-39.3174.367.2-93000111.4F91 I95 R96 E97 V113F91-W93 HydrophobicContact CB-CG 4.37Å; F91-W93 VanDerWaalsContact CB-NE1 3.34Å; F91-W93 AromaticContact CG-NE1 3.82Å; F91-W93 PolarHBondContact O-N 2.9Å; W93-I95 VanDerWaalsContact C-N 3.32Å; W93-I95 PolarHBondContact O-N 3.09Å; W93-R96 WeakPolarHBondContact O-CA 3.38Å; W93-R96 VanDerWaalsContact O-CB 3.23Å; W93-R96 WeakPolarHBondContact O-CB 3.34Å; W93-R96 PolarHBondContact O-N 2.81Å; W93-E97 WeakPolarHBondContact CZ3-OE2 3.46Å; W93-E97 PolarHBondContact O-N 3.18Å; W93-E97 VanDerWaalsContact O-N 3.09Å; W93-V113 HydrophobicContact CB-CG2 4.1Å
94E97Very high94.3Very high52 Ų5278.2 Ų78.224%0.24340%0.397CS..Hα-helixtrans-63.7-39.1173.8-63.1174.3137.400111.2I90 F91 R96 E97 R98I90-E94 WeakPolarHBondContact CA-OE2 3.31Å; I90-E94 HydrophobicContact CD1-CB 4.12Å; I90-E94 HydrophobicContact CG1-CB 3.63Å; I90-E94 WeakPolarHBondContact CG1-OE2 3.38Å; F91-E94 HydrophobicContact CB-CG 4.27Å; F91-E94 PolarHBondContact N-OE2 3.12Å; F91-E94 WeakPolarHBondContact O-CB 3.48Å; F91-E94 PolarHBondContact O-N 3.46Å; F91-E94 VanDerWaalsContact O-N 3.17Å; E94-R96 VanDerWaalsContact C-N 3.26Å; E94-R96 PolarHBondContact O-N 3.26Å; E94-E97 PolarHBondContact O-N 3.16Å; E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 2.98Å
95I95.7Very high94.1Very high0 Ų075.5 Ų75.50%039%0.386CS..Hα-helixtrans-58.7-41172.4-67.5169.9000110.7I80 L83 I90 F91 W93 E97 R98 L99 I116 L120I80-I95 HydrophobicContact CB-CG2 4.38Å; I80-I95 HydrophobicContact CG1-CG2 3.86Å; I80-I95 HydrophobicContact CG2-CD1 4.49Å; I80-I95 HydrophobicContact CG2-CG2 4.25Å; L83-I95 HydrophobicContact CD1-CG2 4.15Å; I90-I95 HydrophobicContact CD1-CG1 3.63Å; I90-I95 HydrophobicContact CG1-CG1 4.06Å; I90-I95 HydrophobicContact CG2-CD1 3.95Å; I90-I95 HydrophobicContact CG2-CG1 3.87Å; F91-I95 WeakPolarHBondContact O-CG1 3.48Å; F91-I95 PolarHBondContact O-N 2.91Å; W93-I95 VanDerWaalsContact C-N 3.32Å; W93-I95 PolarHBondContact O-N 3.09Å; I95-E97 VanDerWaalsContact C-N 3.34Å; I95-R98 PolarHBondContact O-N 2.66Å; I95-L99 HydrophobicContact CG2-CD1 4.09Å; I95-L99 HydrophobicContact CG2-CG 4.38Å; I95-L99 WeakPolarHBondContact O-CB 3.37Å; I95-L99 VanDerWaalsContact O-CG 3.28Å; I95-L99 WeakPolarHBondContact O-CG 3.44Å; I95-L99 PolarHBondContact O-N 3Å; I95-I116 HydrophobicContact CB-CG2 4.11Å; I95-I116 HydrophobicContact CD1-CG2 3.96Å; I95-I116 HydrophobicContact CG2-CD1 4.19Å; I95-I116 HydrophobicContact CG2-CG2 3.86Å; I95-L120 HydrophobicContact CD1-CD1 3.78Å; I95-L120 HydrophobicContact CD1-CD2 4.43Å
96R95.5Very high93.8Very high98 Ų9871.4 Ų71.437%0.3738%0.378SS..Hα-helixtrans-61.4-44.4178.2-171.8-172.4172.2-136.7-4.7111A92 W93 E94 L99 I100 V110 I116A92-R96 PolarHBondContact O-N 3.46Å; W93-R96 WeakPolarHBondContact O-CA 3.38Å; W93-R96 VanDerWaalsContact O-CB 3.23Å; W93-R96 WeakPolarHBondContact O-CB 3.34Å; W93-R96 PolarHBondContact O-N 2.81Å; E94-R96 VanDerWaalsContact C-N 3.26Å; E94-R96 PolarHBondContact O-N 3.26Å; R96-L99 PolarHBondContact O-N 3.04Å; R96-I100 WeakPolarHBondContact O-CG1 3.47Å; R96-I100 PolarHBondContact O-N 2.9Å; R96-V110 HydrophobicContact CG-CB 4.49Å; R96-V110 HydrophobicContact CG-CG1 4.16Å; R96-V110 HydrophobicContact CG-CG2 3.51Å; R96-I116 HydrophobicContact CB-CD1 3.73Å; R96-I116 HydrophobicContact CG-CD1 4.35Å
97E95.2Very high93.5Very high115 Ų11568.5 Ų68.554%0.53737%0.374SS..Hα-helixtrans-66.6-44.4178.2-68.7176.1-178.200111.7W93 E94 I95 L99 I100 A101W93-E97 WeakPolarHBondContact CZ3-OE2 3.46Å; W93-E97 PolarHBondContact O-N 3.18Å; W93-E97 VanDerWaalsContact O-N 3.09Å; E94-E97 PolarHBondContact O-N 3.16Å; I95-E97 VanDerWaalsContact C-N 3.34Å; E97-L99 VanDerWaalsContact C-N 3.31Å; E97-L99 PolarHBondContact O-N 3.03Å; E97-I100 PolarHBondContact O-N 3.1Å; E97-I100 VanDerWaalsContact O-N 3.13Å; E97-A101 WeakPolarHBondContact O-CB 3.48Å; E97-A101 PolarHBondContact O-N 3.08Å
98R94.8Very high93.2Very high79 Ų7972.1 Ų72.130%0.29840%0.403SS..Hα-helixtrans-61-38175.1-69.5-172.1-166.9174.611112.1L83 D87 I90 E94 I95 I100 A101 D102L83-R98 HydrophobicContact CD1-CB 3.87Å; L83-R98 HydrophobicContact CD2-CB 4.45Å; D87-R98 IonicContact OD2-CZ 2.74Å; D87-R98 IonicContact OD2-NH1 3.4Å; D87-R98 IonicContact OD2-NH2 3.93Å; D87-R98 PolarHBondContact OD2-NH2 3.42Å; D87-R98 VanDerWaalsContact OD2-NH2 3.11Å; I90-R98 VanDerWaalsContact CD1-NH1 3.3Å; E94-R98 WeakPolarHBondContact O-CG 3.44Å; E94-R98 PolarHBondContact O-N 2.98Å; I95-R98 PolarHBondContact O-N 2.66Å; R98-I100 VanDerWaalsContact C-N 3.26Å; R98-I100 PolarHBondContact O-N 2.81Å; R98-A101 PolarHBondContact O-N 3.32Å; R98-D102 VanDerWaalsContact O-CB 3.29Å; R98-D102 WeakPolarHBondContact O-CB 3.43Å; R98-D102 PolarHBondContact O-N 2.6Å
99L94.7Very high92.9Very high0 Ų071 Ų710%039%0.394CS..Hα-helixtrans-61.2-33.8175.6-78.6168.2000113.4V76 H79 I80 I95 R96 E97 I104 C105 V110 P111 I116V76-L99 HydrophobicContact CG1-CD1 4.37Å; V76-L99 HydrophobicContact CG1-CD2 4.36Å; H79-L99 HydrophobicContact CB-CD2 4.25Å; I80-L99 HydrophobicContact CD1-CD1 4.15Å; I80-L99 HydrophobicContact CG1-CD1 3.86Å; I80-L99 HydrophobicContact CG1-CD2 4.41Å; I95-L99 HydrophobicContact CG2-CD1 4.09Å; I95-L99 HydrophobicContact CG2-CG 4.38Å; I95-L99 WeakPolarHBondContact O-CB 3.37Å; I95-L99 VanDerWaalsContact O-CG 3.28Å; I95-L99 WeakPolarHBondContact O-CG 3.44Å; I95-L99 PolarHBondContact O-N 3Å; R96-L99 PolarHBondContact O-N 3.04Å; E97-L99 VanDerWaalsContact C-N 3.31Å; E97-L99 PolarHBondContact O-N 3.03Å; L99-I104 HydrophobicContact CD2-CB 4.05Å; L99-I104 HydrophobicContact CD2-CG2 3.95Å; L99-I104 PolarHBondContact O-N 3.16Å; L99-I104 VanDerWaalsContact O-N 3.12Å; L99-C105 PolarHBondContact O-N 3.07Å; L99-C105 VanDerWaalsContact O-N 3.17Å; L99-V110 HydrophobicContact CB-CG2 4.25Å; L99-V110 HydrophobicContact CD1-CG2 4.42Å; L99-P111 HydrophobicContact CD1-CG 4Å; L99-I116 HydrophobicContact CD1-CD1 4.34Å
100I94.3Very high92.7Very high68 Ų6866.6 Ų66.635%0.34937%0.367SS..Hα-helixtrans-77.8-45176.2-61.7167000109.5R96 E97 R98 D102 G103 V110R96-I100 WeakPolarHBondContact O-CG1 3.47Å; R96-I100 PolarHBondContact O-N 2.9Å; E97-I100 PolarHBondContact O-N 3.1Å; E97-I100 VanDerWaalsContact O-N 3.13Å; R98-I100 VanDerWaalsContact C-N 3.26Å; R98-I100 PolarHBondContact O-N 2.81Å; I100-D102 PolarHBondContact O-N 2.9Å; I100-G103 PolarHBondContact O-N 2.79Å; I100-G103 VanDerWaalsContact O-N 3.08Å; I100-V110 HydrophobicContact CD1-CB 4.41Å; I100-V110 HydrophobicContact CD1-CG1 4.24Å; I100-V110 HydrophobicContact CD1-CG2 4.3Å; I100-V110 HydrophobicContact CG1-CB 4.22Å; I100-V110 HydrophobicContact CG1-CG2 4Å
101A93.9Very high92.6Very high84 Ų8466.7 Ų66.769%0.69437%0.368SS*.Hα-helixtrans-62.4-39.4-179.900000112.9E97 R98 G103E97-A101 WeakPolarHBondContact O-CB 3.48Å; E97-A101 PolarHBondContact O-N 3.08Å; R98-A101 PolarHBondContact O-N 3.32Å; A101-G103 PolarHBondContact O-N 3.44Å
102D91.9Very high92.5Very high87 Ų8763.5 Ų63.547%0.46536%0.361SS..THydrogen-bonded Turntrans-76.7-3.5177.3-65.6-19.2000112.6H79 R98 I100 I104H79-D102 IonicContact CD2-OD2 3.11Å; H79-D102 IonicContact CE1-OD2 3.69Å; H79-D102 PolarHBondContact CE1-OD2 3.07Å; H79-D102 IonicContact NE2-OD2 3.89Å; H79-D102 PolarHBondContact NE2-OD2 3.21Å; R98-D102 VanDerWaalsContact O-CB 3.29Å; R98-D102 WeakPolarHBondContact O-CB 3.43Å; R98-D102 PolarHBondContact O-N 2.6Å; I100-D102 PolarHBondContact O-N 2.9Å; D102-I104 HydrophobicContact CB-CG1 3.88Å; D102-I104 PolarHBondContact O-N 3.09Å
103G89.7Confident92.5Very high63 Ų6365.6 Ų65.665%0.64937%0.372SS*.THydrogen-bonded Turntrans70.713.2-179.500000114.8I100 A101I100-G103 PolarHBondContact O-N 2.79Å; I100-G103 VanDerWaalsContact O-N 3.08Å; A101-G103 PolarHBondContact O-N 3.44Å
104I89.4Confident92.4Very high68 Ų6863.8 Ų63.835%0.34938%0.379SS..SBendtrans-71.5-37-179.6-56.3-60.5000111.1V76 L99 D102V76-I104 HydrophobicContact CG2-CG2 4.07Å; L99-I104 HydrophobicContact CD2-CB 4.05Å; L99-I104 HydrophobicContact CD2-CG2 3.95Å; L99-I104 PolarHBondContact O-N 3.16Å; L99-I104 VanDerWaalsContact O-N 3.12Å; D102-I104 HydrophobicContact CB-CG1 3.88Å; D102-I104 PolarHBondContact O-N 3.09Å
105C88.5Confident92.2Very high7 Ų763.5 Ų63.55%0.04738%0.383CS..SBendtrans-129.1135.4177.5-690000110.9V76 L99 V110V76-C105 WeakPolarHBondContact CG2-SG 3.4Å; L99-C105 PolarHBondContact O-N 3.07Å; L99-C105 VanDerWaalsContact O-N 3.17Å; C105-V110 HydrophobicContact CB-CB 4.04Å; C105-V110 HydrophobicContact CB-CG2 4.2Å
106G88.5Confident92.2Very high44 Ų4463.5 Ų63.545%0.45438%0.383SS..  trans-69.2159.8162.500000111.6S108 V109 V110G106-S108 PolarHBondContact O-N 3.09Å; G106-S108 VanDerWaalsContact O-N 3.1Å; G106-V109 PolarHBondContact O-N 3.1Å; G106-V110 PolarHBondContact O-N 3.29Å
107E88Confident92.2Very high160 Ų16060.4 Ų60.475%0.74838%0.377SS*.THydrogen-bonded Turntrans-55.7-31.5-176.4-172.8171-169.500113.7V110E107-V110 WeakPolarHBondContact O-CG1 3.39Å
108S87Confident92.1Very high117 Ų11762.6 Ų62.682%0.81838%0.38SS*.THydrogen-bonded Turntrans-81.1-20177.859.70000114.5G106G106-S108 PolarHBondContact O-N 3.09Å; G106-S108 VanDerWaalsContact O-N 3.1Å
109V89.2Confident92Very high71 Ų7159.9 Ų59.943%0.4337%0.371SS..THydrogen-bonded Turntrans-104.7-12.8-174.5-173.60000111.3V71 G106V71-V109 WeakPolarHBondContact CG1-O 3.33Å; G106-V109 PolarHBondContact O-N 3.1Å
110V91.1Very high91.9Very high17 Ų1761.6 Ų61.610%0.10338%0.38CS..PPolyproline II helixtrans-60.6132.8-177.875.20000111.7R96 L99 I100 C105 G106 E107R96-V110 HydrophobicContact CG-CB 4.49Å; R96-V110 HydrophobicContact CG-CG1 4.16Å; R96-V110 HydrophobicContact CG-CG2 3.51Å; L99-V110 HydrophobicContact CB-CG2 4.25Å; L99-V110 HydrophobicContact CD1-CG2 4.42Å; I100-V110 HydrophobicContact CD1-CB 4.41Å; I100-V110 HydrophobicContact CD1-CG1 4.24Å; I100-V110 HydrophobicContact CD1-CG2 4.3Å; I100-V110 HydrophobicContact CG1-CB 4.22Å; I100-V110 HydrophobicContact CG1-CG2 4Å; C105-V110 HydrophobicContact CB-CB 4.04Å; C105-V110 HydrophobicContact CB-CG2 4.2Å; G106-V110 PolarHBondContact O-N 3.29Å; E107-V110 WeakPolarHBondContact O-CG1 3.39Å
111P92.6Very high91.7Very high2 Ų266.6 Ų66.61%0.01339%0.394CS..PPolyproline II helixtrans-62.3147175.923.2-32.3000111.6V71 V76 I80 L99 I116V71-P111 HydrophobicContact CG1-CB 3.86Å; V71-P111 HydrophobicContact CG1-CG 4.47Å; V76-P111 HydrophobicContact CG1-CG 4.09Å; I80-P111 HydrophobicContact CD1-CG 4.26Å; L99-P111 HydrophobicContact CD1-CG 4Å; P111-I116 HydrophobicContact CB-CG1 4.01Å; P111-I116 HydrophobicContact CG-CD1 4.12Å; P111-I116 HydrophobicContact CG-CG1 3.74Å
112S93.7Very high91.1Very high61 Ų6168.9 Ų68.943%0.42739%0.391SS..PPolyproline II helixtrans-62.4155.2171.766.80000111.3S114 S115 I116S112-S114 PolarHBondContact O-N 2.87Å; S112-S115 WeakPolarHBondContact O-CA 3.3Å; S112-S115 WeakPolarHBondContact O-CB 3.45Å; S112-S115 PolarHBondContact O-N 3.14Å; S112-S115 WeakPolarHBondContact OG-CB 3.46Å; S112-S115 PolarHBondContact OG-N 3.31Å; S112-S115 PolarHBondContact OG-OG 2.96Å; S112-S115 VanDerWaalsContact OG-OG 3.06Å; S112-I116 WeakPolarHBondContact O-CG1 3.45Å; S112-I116 PolarHBondContact O-N 3.5Å
113V95.3Very high89.7Confident57 Ų5767.6 Ų67.635%0.34538%0.383SS..Hα-helixtrans-54.3-37.1175.8-1790000111.2A92 W93 S117A92-V113 HydrophobicContact CB-CG1 3.64Å; W93-V113 HydrophobicContact CB-CG2 4.1Å; V113-S117 WeakPolarHBondContact O-CB 3.43Å; V113-S117 PolarHBondContact O-N 3.01Å; V113-S117 PolarHBondContact O-OG 3.39Å
114S95Very high87.8Confident90 Ų9071.7 Ų71.763%0.62940%0.396SS*.Hα-helixtrans-66.4-41.7175.3-49.60000112.7S112 S117 R118S112-S114 PolarHBondContact O-N 2.87Å; S114-S117 PolarHBondContact O-N 3.48Å; S114-R118 WeakPolarHBondContact O-CB 3.4Å; S114-R118 PolarHBondContact O-N 3.07Å
115S92.9Very high85.6Confident46 Ų4672.1 Ų72.132%0.32242%0.417SS..Hα-helixtrans-64-44.8175.1-700000111.6S112 S117 R118 I119S112-S115 WeakPolarHBondContact O-CA 3.3Å; S112-S115 WeakPolarHBondContact O-CB 3.45Å; S112-S115 PolarHBondContact O-N 3.14Å; S112-S115 WeakPolarHBondContact OG-CB 3.46Å; S112-S115 PolarHBondContact OG-N 3.31Å; S112-S115 PolarHBondContact OG-OG 2.96Å; S112-S115 VanDerWaalsContact OG-OG 3.06Å; S115-S117 PolarHBondContact O-N 3.14Å; S115-R118 WeakPolarHBondContact O-CB 3.32Å; S115-R118 PolarHBondContact O-N 3.4Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.37Å; S115-I119 PolarHBondContact O-N 2.96Å
116I94.8Very high83.5Confident0 Ų078.4 Ų78.40%045%0.45CS..Hα-helixtrans-58.1-49.2174.1-64.7168.5000110I80 A92 I95 R96 L99 P111 S112 R118 I119 L120I80-I116 HydrophobicContact CD1-CG1 4.12Å; I80-I116 HydrophobicContact CG2-CG2 4.12Å; A92-I116 HydrophobicContact CB-CB 4.31Å; A92-I116 HydrophobicContact CB-CG2 3.93Å; A92-I116 WeakPolarHBondContact O-CD1 3.36Å; I95-I116 HydrophobicContact CB-CG2 4.11Å; I95-I116 HydrophobicContact CD1-CG2 3.96Å; I95-I116 HydrophobicContact CG2-CD1 4.19Å; I95-I116 HydrophobicContact CG2-CG2 3.86Å; R96-I116 HydrophobicContact CB-CD1 3.73Å; R96-I116 HydrophobicContact CG-CD1 4.35Å; L99-I116 HydrophobicContact CD1-CD1 4.34Å; P111-I116 HydrophobicContact CB-CG1 4.01Å; P111-I116 HydrophobicContact CG-CD1 4.12Å; P111-I116 HydrophobicContact CG-CG1 3.74Å; S112-I116 WeakPolarHBondContact O-CG1 3.45Å; S112-I116 PolarHBondContact O-N 3.5Å; I116-R118 VanDerWaalsContact C-N 3.26Å; I116-R118 PolarHBondContact O-N 3.22Å; I116-I119 WeakPolarHBondContact O-CB 3.31Å; I116-I119 PolarHBondContact O-N 3.37Å; I116-I119 VanDerWaalsContact O-N 3.08Å; I116-L120 HydrophobicContact CG2-CD1 4.2Å; I116-L120 HydrophobicContact CG2-CG 4.41Å; I116-L120 WeakPolarHBondContact O-CG 3.4Å; I116-L120 PolarHBondContact O-N 3.3Å
117S95.1Very high81.4Confident33 Ų3385.5 Ų85.523%0.23147%0.471CS..Hα-helixtrans-59.4-37.5178.2-57.60000112.4A92 V113 S114 S115 L120 R121A92-S117 WeakPolarHBondContact CB-OG 3.39Å; V113-S117 WeakPolarHBondContact O-CB 3.43Å; V113-S117 PolarHBondContact O-N 3.01Å; V113-S117 PolarHBondContact O-OG 3.39Å; S114-S117 PolarHBondContact O-N 3.48Å; S115-S117 PolarHBondContact O-N 3.14Å; S117-L120 PolarHBondContact O-N 3.37Å; S117-R121 WeakPolarHBondContact O-CG 3.34Å; S117-R121 PolarHBondContact O-N 3.05Å; S117-R121 VanDerWaalsContact O-N 3.14Å; S117-R121 PolarHBondContact O-NH1 2.97Å
118R93.6Very high79Confident161 Ų16182 Ų8261%0.60847%0.465SS*.Hα-helixtrans-64.4-45.3174.5-177.9174.7-176.3179.81.1111.4S114 S115 I116 L120 R121 H122S114-R118 WeakPolarHBondContact O-CB 3.4Å; S114-R118 PolarHBondContact O-N 3.07Å; S115-R118 WeakPolarHBondContact O-CB 3.32Å; S115-R118 PolarHBondContact O-N 3.4Å; I116-R118 VanDerWaalsContact C-N 3.26Å; I116-R118 PolarHBondContact O-N 3.22Å; R118-L120 VanDerWaalsContact C-N 3.29Å; R118-L120 PolarHBondContact O-N 3.4Å; R118-R121 PolarHBondContact O-N 3.49Å; R118-H122 PolarHBondContact O-CD2 3.41Å; R118-H122 PolarHBondContact O-N 3.05Å
119I92.7Very high76.5Confident21 Ų2180.1 Ų80.111%0.10846%0.464CS..Hα-helixtrans-58.2-43.8176.5-66.2160.2000110.6T72 V77 I80 S115 I116 R121 H122T72-I119 HydrophobicContact CG2-CD1 3.51Å; T72-I119 HydrophobicContact CG2-CG1 3.9Å; V77-I119 HydrophobicContact CG1-CG2 3.94Å; V77-I119 HydrophobicContact CG2-CD1 4.32Å; V77-I119 HydrophobicContact CG2-CG2 4.37Å; I80-I119 HydrophobicContact CD1-CD1 3.72Å; I80-I119 HydrophobicContact CG2-CG2 4.18Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.37Å; S115-I119 PolarHBondContact O-N 2.96Å; I116-I119 WeakPolarHBondContact O-CB 3.31Å; I116-I119 PolarHBondContact O-N 3.37Å; I116-I119 VanDerWaalsContact O-N 3.08Å; I119-R121 VanDerWaalsContact C-N 3.35Å; I119-R121 PolarHBondContact O-N 2.94Å; I119-H122 PolarHBondContact O-N 3.27Å
120L92.1Very high74.2Confident36 Ų3684.3 Ų84.319%0.18848%0.478CS..Hα-helixtrans-65.5-34180-66.8178.9000113.4I80 K84 I95 I116 S117 R118 N123I80-L120 HydrophobicContact CG2-CD2 3.66Å; I80-L120 HydrophobicContact CG2-CG 4.2Å; K84-L120 HydrophobicContact CB-CD2 3.85Å; K84-L120 HydrophobicContact CD-CD1 4.5Å; K84-L120 HydrophobicContact CG-CD2 3.89Å; I95-L120 HydrophobicContact CD1-CD1 3.78Å; I95-L120 HydrophobicContact CD1-CD2 4.43Å; I116-L120 HydrophobicContact CG2-CD1 4.2Å; I116-L120 HydrophobicContact CG2-CG 4.41Å; I116-L120 WeakPolarHBondContact O-CG 3.4Å; I116-L120 PolarHBondContact O-N 3.3Å; S117-L120 PolarHBondContact O-N 3.37Å; R118-L120 VanDerWaalsContact C-N 3.29Å; R118-L120 PolarHBondContact O-N 3.4Å; L120-N123 WeakPolarHBondContact O-CB 3.47Å
121R90.6Very high71.5Confident173 Ų17389.4 Ų89.465%0.65351%0.514SS*.Hα-helixtrans-72-33.8177-72-172.2-60-90.74.7113.3S117 R118 I119 N123S117-R121 WeakPolarHBondContact O-CG 3.34Å; S117-R121 PolarHBondContact O-N 3.05Å; S117-R121 VanDerWaalsContact O-N 3.14Å; S117-R121 PolarHBondContact O-NH1 2.97Å; R118-R121 PolarHBondContact O-N 3.49Å; I119-R121 VanDerWaalsContact C-N 3.35Å; I119-R121 PolarHBondContact O-N 2.94Å; R121-N123 PolarHBondContact O-N 3.43Å; R121-N123 VanDerWaalsContact O-N 3.13Å
122H80.5Confident68.7Low133 Ų13395.8 Ų95.862%0.61656%0.558SS**THydrogen-bonded Turntrans-85.131.7-176.7-69.6-68.2000113.4R118 I119R118-H122 PolarHBondContact O-CD2 3.41Å; R118-H122 PolarHBondContact O-N 3.05Å; I119-H122 PolarHBondContact O-N 3.27Å
123N62.5Low65.7Low59 Ų5995.8 Ų95.832%0.31657%0.568SS.*  trans-101.732.6-167.7-153.15.3000115.7K81 L120 R121K81-N123 WeakPolarHBondContact CD-OD1 3.46Å; K81-N123 WeakPolarHBondContact CE-OD1 3.17Å; K81-N123 PolarHBondContact NZ-OD1 3.33Å; L120-N123 WeakPolarHBondContact O-CB 3.47Å; R121-N123 PolarHBondContact O-N 3.43Å; R121-N123 VanDerWaalsContact O-N 3.13Å
124V51.6Low63Low150 Ų15099.9 Ų99.991%0.90959%0.586SS**SBendtrans-145.2101.3172.2-171.70000108.7
125G42.4Very low60.4Low77 Ų77104.4 Ų104.479%0.79460%0.6SS**  trans145.783.3173.600000114.5E127G125-E127 PolarHBondContact O-N 3.07Å
126N44.7Very low57.8Low138 Ų138110.1 Ų110.174%0.73862%0.619SS**  trans-35.7127.6163.9-87.7-9.6000114.2S128N126-S128 PolarHBondContact O-N 3.15Å; N126-S128 PolarHBondContact O-OG 3.05Å
127E43.7Very low55Low193 Ų193116.4 Ų116.490%0.90265%0.653SS**SBend44.535.6108.5-52.1-78.3114.900117.3G125G125-E127 PolarHBondContact O-N 3.07Å
128S37.2Very low52.1Low88 Ų88125.5 Ų125.562%0.61568%0.684SS**  trans-136109.3171.641.40000108.9N126 H130N126-S128 PolarHBondContact O-N 3.15Å; N126-S128 PolarHBondContact O-OG 3.05Å; S128-H130 VanDerWaalsContact C-N 3.33Å; S128-H130 PolarHBondContact O-N 2.92Å
129G34.9Very low49.3Very low77 Ų77125.1 Ų125.179%0.79469%0.688SS**  trans-62.892.2175.500000110.5
130H40.7Very low46.5Very low159 Ų159129.2 Ų129.274%0.73672%0.719SS**  trans-148.3112.2168.5-76.293.5000109.1S128 C132S128-H130 VanDerWaalsContact C-N 3.33Å; S128-H130 PolarHBondContact O-N 2.92Å; H130-C132 PolarHBondContact O-N 3.15Å
131S33.9Very low43.8Very low123 Ų123132.1 Ų132.186%0.8675%0.748SS**  46.879128.7-49.80000116.7
132C33.9Very low41.4Very low137 Ų137129.7 Ų129.793%0.92676%0.758SS**  trans-120.2116.3151.7-174.30000106H130H130-C132 PolarHBondContact O-N 3.15Å
133G32.5Very low39.4Very low61 Ų61130.6 Ų130.663%0.62977%0.767SS**  cis147.577.618.900000105.7
134L38.6Very low38.4Very low142 Ų142136.8 Ų136.874%0.74379%0.794SS**  trans-119.674.6162.1-74.7178.1000106.9F136L134-F136 VanDerWaalsContact C-N 3.29Å; L134-F136 HydrophobicContact CB-CD2 4.18Å; L134-F136 HydrophobicContact CB-CE2 3.97Å; L134-F136 HydrophobicContact CD1-CE2 3.92Å; L134-F136 HydrophobicContact CD1-CZ 4.18Å; L134-F136 HydrophobicContact CG-CE2 4.38Å; L134-F136 PolarHBondContact O-N 3.44Å; L134-F136 VanDerWaalsContact O-N 3.16Å
135M38.7Very low37.7Very low186 Ų186133.9 Ų133.992%0.91679%0.786SS**  trans-67.9100.1150.2-68.5-158.775.600105.9N137M135-N137 PolarHBondContact O-N 3.35Å
136F39.7Very low37.3Very low166 Ų166135.7 Ų135.773%0.72879%0.786SS**  trans-69.6102.2164.7-81.8-79.5000107.4L134 Y138L134-F136 VanDerWaalsContact C-N 3.29Å; L134-F136 HydrophobicContact CB-CD2 4.18Å; L134-F136 HydrophobicContact CB-CE2 3.97Å; L134-F136 HydrophobicContact CD1-CE2 3.92Å; L134-F136 HydrophobicContact CD1-CZ 4.18Å; L134-F136 HydrophobicContact CG-CE2 4.38Å; L134-F136 PolarHBondContact O-N 3.44Å; L134-F136 VanDerWaalsContact O-N 3.16Å; F136-Y138 PolarHBondContact O-N 3.45Å; F136-Y138 VanDerWaalsContact O-N 3.09Å
137N35.6Very low37.2Very low131 Ų131137.6 Ų137.670%0.70179%0.791SS**  trans-54.1107.3164.2-113.22.7000108.5M135 H139M135-N137 PolarHBondContact O-N 3.35Å; N137-H139 VanDerWaalsContact C-N 3.3Å; N137-H139 PolarHBondContact O-N 2.99Å; N137-H139 VanDerWaalsContact O-N 3.11Å
138Y33.1Very low36.9Very low224 Ų224134.1 Ų134.188%0.87878%0.782SS**  trans-75.787.8160.3-99.4-94.3000107.6F136F136-Y138 PolarHBondContact O-N 3.45Å; F136-Y138 VanDerWaalsContact O-N 3.09Å
139H35.2Very low37Very low153 Ų153137.6 Ų137.671%0.70879%0.793SS**  trans-103.2101158.7-82.774.2000107.7N137N137-H139 VanDerWaalsContact C-N 3.3Å; N137-H139 PolarHBondContact O-N 2.99Å; N137-H139 VanDerWaalsContact O-N 3.11Å
140S35.4Very low37.2Very low108 Ų108141.8 Ų141.876%0.75579%0.792SS**  trans-161.395.8161-75.50000105.5
141A35.1Very low37.4Very low96 Ų96142.4 Ų142.479%0.79380%0.795SS**  71.589.694.800000112.6
142S39.4Very low37.7Very low123 Ų123140.1 Ų140.186%0.8678%0.777SS**  168.6134.3127.556.80000112.1
143N38.2Very low38.3Very low152 Ų152144 Ų14481%0.81377%0.774SS**  trans-48159.2176.6-71.6-46.9000117.4
144Q41.1Very low38.6Very low188 Ų188149.3 Ų149.388%0.87979%0.787SS**  trans103.5123.6151.8-73.7172.563.900119.6
145A37.3Very low38.7Very low90 Ų90147.3 Ų147.374%0.74479%0.785SS**  trans83.493.9145.800000120
146S35Very low39.2Very low114 Ų114149.9 Ų149.980%0.79779%0.786SS**  trans9.1112.5130.9120000118.8
147H42.8Very low39.5Very low179 Ų179146.8 Ų146.883%0.82979%0.785SS**  -169.1134.2123.9-126.2-102.5000111.7
148V37Very low40Very low120 Ų120148.5 Ų148.573%0.72779%0.793SS**  trans-40.5133.9167.7-94.70000114.4
149L39.6Very low40.8Very low160 Ų160143.3 Ų143.384%0.83879%0.787SS**  trans-161.1136.3139.9-107.7161.2000112.8
150H37.5Very low41.5Very low166 Ų166143 Ų14377%0.76980%0.795SS**  trans-82.3126.6-169.7-158.5-171.8000109.5
151H44.8Very low42.4Very low171 Ų171146.8 Ų146.879%0.79280%0.798SS**  trans-123.4107.4167.9-67.9-37.5000110
152P41Very low43Very low76 Ų76148 Ų14849%0.49480%0.798SS.*  trans-79.4-171.6167.932.1-24.4000109.3
153Y46.8Very low43.8Very low218 Ų218151.1 Ų151.186%0.85580%0.801SS**  trans89.950.3179.6-37.3-65.4000115.8
154L39.1Very low44.2Very low172 Ų172152 Ų15290%0.90181%0.805SS**  trans-114.276.1156.8-145.8126.5000108.1
155S39.8Very low44.4Very low100 Ų100147.9 Ų147.970%0.69980%0.797SS**  trans178.6102.8169.416.90000110.8
156Y48.8Very low44.7Very low240 Ų240147.5 Ų147.594%0.94179%0.794SS**  trans-151.495.8146.3-104.8-76.9000108.7
157S45.9Very low45.6Very low101 Ų101148.3 Ų148.371%0.70679%0.794SS**  trans-82.2156.4157.7-60.30000108.8
158L47.4Very low46Very low167 Ų167145.9 Ų145.987%0.87479%0.791SS**  trans94.1152.8162.4-48.7174.3000117.5
159P50.4Low46.9Very low115 Ų115146.8 Ų146.875%0.74779%0.792SS**  cis-126.6152.1-28.633.1-15.8000113K161P159-K161 PolarHBondContact O-N 2.85Å
160V49.4Very low47.4Very low146 Ų146146.6 Ų146.689%0.88579%0.792SS**PPolyproline II helixtrans-70.5123.2173.2-1650000108.9
161K53.3Low48Very low189 Ų189146.5 Ų146.582%0.82280%0.796SS**PPolyproline II helixtrans-78.3135.7169.5-75.3-178.1177.7176.20109.7P159P159-K161 PolarHBondContact O-N 2.85Å
162P48.2Very low48.1Very low121 Ų121143.1 Ų143.179%0.78679%0.791SS**PPolyproline II helixtrans-70.5135.6174-5.220.2000110.6L164P162-L164 PolarHBondContact O-N 3.11Å
163M55.9Low48.6Very low188 Ų188147.3 Ų147.393%0.92681%0.809SS**  trans-72.3109.6169-171.2173112.300108.2S165M163-S165 PolarHBondContact O-N 3.1Å
164L47.7Very low48.7Very low170 Ų170145.5 Ų145.589%0.8984%0.839SS**PPolyproline II helixtrans-70.5123171.6-85.6161000109.4P162P162-L164 PolarHBondContact O-N 3.11Å
165S44.4Very low49.2Very low102 Ų102144.2 Ų144.271%0.71384%0.836SS**PPolyproline II helixtrans-50.6139174.6177.70000112.7M163M163-S165 PolarHBondContact O-N 3.1Å
166A43.8Very low49.7Very low82 Ų82146.5 Ų146.568%0.67884%0.843SS**PPolyproline II helixtrans-57.9141.7162.500000111
167T53.6Low49.8Very low132 Ų132141.3 Ų141.381%0.8184%0.838SS**  trans-120.2108.8150.8450000106.9
168V52.3Low50Low127 Ų127143.7 Ų143.777%0.7785%0.845SS**  trans-67.2129.7157.2-178.80000106.2
169N54.8Low50.2Low139 Ų139142.3 Ų142.374%0.74384%0.844SS**  trans161.7118164-75.8-16000103.5
170D50.3Low50.1Low156 Ų156144.1 Ų144.183%0.83485%0.85SS**  cis-153.6145.541.1-87.6-60.3000111.9
171I50.6Low50.2Low165 Ų165143.9 Ų143.985%0.84685%0.848SS**  trans-72.8129.5155.9-68.3159000106.9
172S47.8Very low50Low100 Ų100140.5 Ų140.570%0.69985%0.85SS**  trans171.7128133.4-166.40000112.7
173L51.5Low50.1Low163 Ų163142.1 Ų142.185%0.85386%0.855SS**  trans24.5112.6148.4-83.870.4000119.5
174A48.9Very low49.6Very low181 Ų181137.9 Ų137.9100%1.49685%0.848SS**  -172.30106.400000109.7

Retrieved 174 of 174 residues in 41.2 ms (Link to these results)

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