A0A077ZDD9_TRITR Loading...

Abhydrolase 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDD9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 255 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
1M90.3Very high96.2Very high123 Ų12384.3 Ų84.361%0.60640%0.4SS*.  0126.90178.4-170.464.600108.6K3 I17 Y18M1-K3 HydrophobicContact CE-CD 3.71Å; M1-K3 HydrophobicContact CE-CG 3.78Å; M1-K3 HydrophobicContact CG-CG 4.23Å; M1-K3 HydrophobicContact SD-CD 4.2Å; M1-K3 VanDerWaalsContact SD-CE 3.51Å; M1-K3 HydrophobicContact SD-CG 3.92Å; M1-I17 CarbonylContact C-O 3.51Å; M1-I17 WeakPolarHBondContact CA-O 3.39Å; M1-Y18 HydrophobicContact CG-CD1 4.12Å; M1-Y18 HydrophobicContact CG-CE1 4.04Å; M1-Y18 HydrophobicContact CG-CG 4.46Å; M1-Y18 HydrophobicContact SD-CD1 4.25Å; M1-Y18 HydrophobicContact SD-CE1 3.64Å
2I96Very high96.3Very high80 Ų8087.7 Ų87.741%0.4142%0.415SS..EExtended strand (participates in β ladder)trans-106.8127.3169.1-58.3171000106.4D16 I17I2-D16 WeakPolarHBondContact O-CA 3.34Å; I2-I17 HydrophobicContact CB-CB 4.18Å; I2-I17 HydrophobicContact CB-CD1 4.37Å; I2-I17 HydrophobicContact CD1-CD1 4.29Å; I2-I17 PolarHBondContact N-O 3.45Å; I2-I17 PolarHBondContact O-N 3.23Å
3K96.8Very high96.4Very high124 Ų12482.2 Ų82.254%0.53939%0.39SS..EExtended strand (participates in β ladder)trans-103.6148.5177.1-79.3-174.7164.4-178.50111.1M1 Y5 D16M1-K3 HydrophobicContact CE-CD 3.71Å; M1-K3 HydrophobicContact CE-CG 3.78Å; M1-K3 HydrophobicContact CG-CG 4.23Å; M1-K3 HydrophobicContact SD-CD 4.2Å; M1-K3 VanDerWaalsContact SD-CE 3.51Å; M1-K3 HydrophobicContact SD-CG 3.92Å; K3-Y5 VanDerWaalsContact C-N 3.29Å; K3-Y5 PolarHBondContact O-N 3.41Å; K3-D16 VanDerWaalsContact CA-OD1 3.24Å; K3-D16 WeakPolarHBondContact CA-OD1 3.45Å
4D97.3Very high96.6Very high88 Ų8877.7 Ų77.747%0.47137%0.371SS..EExtended strand (participates in β ladder)trans55.439.2171.5-64.6-55.5000114.3V6 T14 L15 D16 K40D4-V6 PolarHBondContact O-N 3.08Å; D4-T14 HydrophobicContact CB-CG2 4.19Å; D4-T14 PolarHBondContact OD1-OG1 3.4Å; D4-T14 VanDerWaalsContact OD1-OG1 3.1Å; D4-L15 PolarHBondContact N-O 3.1Å; D4-D16 PolarHBondContact N-OD1 3.06Å; D4-K40 WeakPolarHBondContact OD1-CE 3.28Å; D4-K40 IonicContact OD1-NZ 3.22Å; D4-K40 PolarHBondContact OD1-NZ 3.35Å
5Y97.7Very high96.7Very high94 Ų9472.5 Ų72.537%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-66.9118.3171.1179.7-86.7000109.2K3 Y7 T14 L15 I17 W83K3-Y5 VanDerWaalsContact C-N 3.29Å; K3-Y5 PolarHBondContact O-N 3.41Å; Y5-Y7 PolarHBondContact O-N 2.92Å; Y5-T14 CarbonylContact O-C 3.44Å; Y5-T14 WeakPolarHBondContact O-CA 3.45Å; Y5-L15 HydrophobicContact CD1-CD1 3.98Å; Y5-L15 HydrophobicContact CD1-CD2 4.49Å; Y5-L15 HydrophobicContact CD1-CG 4.11Å; Y5-L15 HydrophobicContact CG-CD1 4.25Å; Y5-L15 PolarHBondContact N-O 3.15Å; Y5-L15 PolarHBondContact O-N 3.27Å; Y5-I17 HydrophobicContact CG-CD1 4.42Å; Y5-W83 HydrophobicContact CD1-CZ2 4.05Å; Y5-W83 AromaticContact CE1-CE2 3.53Å; Y5-W83 AromaticContact CE1-CZ2 3.58Å; Y5-W83 HydrophobicContact CE1-CZ2 3.58Å; Y5-W83 AromaticContact CE1-NE1 3.33Å; Y5-W83 VanDerWaalsContact CE1-NE1 3.33Å; Y5-W83 AromaticContact CZ-CE2 3.91Å; Y5-W83 AromaticContact CZ-CZ2 3.84Å; Y5-W83 AromaticContact CZ-NE1 3.52Å; Y5-W83 PolarHBondContact OH-NE1 3.49Å
6V97.9Very high96.8Very high50 Ų5068.4 Ų68.430%0.30333%0.326SS..EExtended strand (participates in β ladder)trans-73.6111178.6-176.70000108.8D4 E9 T14D4-V6 PolarHBondContact O-N 3.08Å; V6-E9 HydrophobicContact CG1-CG 4.13Å; V6-T14 HydrophobicContact CG2-CG2 4.01Å
7Y97.2Very high97Very high27 Ų2764.5 Ų64.511%0.10631%0.308CS..EExtended strand (participates in β ladder)trans-102.7-15.6178.777.4-90.9000112.5Y5 L13 L15 P60 N61 K79 V80Y5-Y7 PolarHBondContact O-N 2.92Å; Y7-L13 HydrophobicContact CD1-CB 4.24Å; Y7-L13 VanDerWaalsContact CD1-O 3.31Å; Y7-L13 WeakPolarHBondContact CD1-O 3.48Å; Y7-L13 HydrophobicContact CE1-CB 3.45Å; Y7-L13 VanDerWaalsContact CE1-CB 3.45Å; Y7-L13 HydrophobicContact CE2-CB 4.41Å; Y7-L13 PolarHBondContact N-O 3.31Å; Y7-L13 VanDerWaalsContact N-O 3.09Å; Y7-L13 VanDerWaalsContact OH-CD1 3.28Å; Y7-L13 WeakPolarHBondContact OH-CD1 3.44Å; Y7-L15 HydrophobicContact CD1-CB 4Å; Y7-L15 HydrophobicContact CD1-CD2 3.77Å; Y7-L15 HydrophobicContact CD1-CG 3.94Å; Y7-L15 HydrophobicContact CE1-CB 4.45Å; Y7-L15 HydrophobicContact CG-CD2 3.8Å; Y7-L15 HydrophobicContact CG-CG 4.38Å; Y7-P60 HydrophobicContact CE1-CB 4.19Å; Y7-N61 WeakPolarHBondContact CE1-O 3.43Å; Y7-N61 PolarHBondContact OH-O 3.47Å; Y7-K79 HydrophobicContact CD2-CB 4.47Å; Y7-K79 HydrophobicContact CE2-CB 4.33Å; Y7-V80 HydrophobicContact CD1-CG2 4.34Å; Y7-V80 HydrophobicContact CD2-CG2 3.67Å; Y7-V80 HydrophobicContact CE1-CG2 4.09Å; Y7-V80 HydrophobicContact CE2-CG2 3.41Å; Y7-V80 VanDerWaalsContact CE2-CG2 3.41Å; Y7-V80 HydrophobicContact CG-CG2 4.14Å
8N96.4Very high97Very high10 Ų1061.3 Ų61.35%0.05329%0.292CS..EExtended strand (participates in β ladder)trans-139.694.1176.9-177.6-7000109.7E10 H11 Q12 L13 K79N8-E10 VanDerWaalsContact C-N 3.3Å; N8-E10 PolarHBondContact O-N 2.93Å; N8-E10 WeakPolarHBondContact OD1-CB 3.32Å; N8-E10 PolarHBondContact OD1-N 2.71Å; N8-H11 PolarHBondContact ND2-CD2 3.44Å; N8-H11 PolarHBondContact O-N 3.16Å; N8-Q12 WeakPolarHBondContact O-CA 3.41Å; N8-Q12 PolarHBondContact O-N 3.3Å; N8-L13 HydrophobicContact CB-CB 4.18Å; N8-L13 HydrophobicContact CB-CD1 4.37Å; N8-L13 PolarHBondContact N-O 3.16Å; N8-L13 PolarHBondContact O-N 3.13Å; N8-L13 VanDerWaalsContact O-N 3.11Å; N8-K79 PolarHBondContact ND2-NZ 2.8Å; N8-K79 VanDerWaalsContact ND2-NZ 3.15Å
9E95.7Very high97.1Very high129 Ų12963.3 Ų63.360%0.60330%0.301SS*.THydrogen-bonded Turntrans-60.5-35.7179.9-71.1-71.5-179.300112.9V6 H11 Q12V6-E9 HydrophobicContact CG1-CG 4.13Å; E9-H11 PolarHBondContact O-N 2.83Å; E9-Q12 PolarHBondContact O-N 2.78Å; E9-Q12 PolarHBondContact O-NE2 2.74Å; E9-Q12 PolarHBondContact OE2-NE2 3.4Å; E9-Q12 VanDerWaalsContact OE2-NE2 3.1Å
10E96.5Very high97.1Very high146 Ų14660.9 Ų60.968%0.68229%0.291SS*.THydrogen-bonded Turntrans-60.6-34.8-178.3-171.5-169.3165.400112.3N8 K79N8-E10 VanDerWaalsContact C-N 3.3Å; N8-E10 PolarHBondContact O-N 2.93Å; N8-E10 WeakPolarHBondContact OD1-CB 3.32Å; N8-E10 PolarHBondContact OD1-N 2.71Å; E10-K79 IonicContact OE2-NZ 2.74Å
11H96.7Very high97Very high56 Ų5667.8 Ų67.826%0.25932%0.323SS..THydrogen-bonded Turntrans-114.64.3-177.6-58.8-33.3000113.3N8 E9 L13 R63N8-H11 PolarHBondContact ND2-CD2 3.44Å; N8-H11 PolarHBondContact O-N 3.16Å; E9-H11 PolarHBondContact O-N 2.83Å; H11-L13 HydrophobicContact CB-CD1 4.07Å; H11-L13 HydrophobicContact CB-CG 3.89Å; H11-L13 PolarHBondContact O-N 3.26Å; H11-R63 HydrophobicContact CB-CG 4.49Å; H11-R63 VanDerWaalsContact CD2-CD 3.42Å; H11-R63 WeakPolarHBondContact CD2-CD 3.45Å; H11-R63 PolarHBondContact CD2-NE 3.38Å; H11-R63 PolarHBondContact CD2-NH1 2.56Å; H11-R63 VanDerWaalsContact NE2-CZ 3.29Å; H11-R63 PolarHBondContact NE2-NH1 2.89Å
12Q97.2Very high97.2Very high125 Ų12565.2 Ų65.258%0.58432%0.315SS*.THydrogen-bonded Turntrans5237.7-176.4-61.6-68.2-64.200112.5N8 E9N8-Q12 WeakPolarHBondContact O-CA 3.41Å; N8-Q12 PolarHBondContact O-N 3.3Å; E9-Q12 PolarHBondContact O-N 2.78Å; E9-Q12 PolarHBondContact O-NE2 2.74Å; E9-Q12 PolarHBondContact OE2-NE2 3.4Å; E9-Q12 VanDerWaalsContact OE2-NE2 3.1Å
13L98.2Very high97.3Very high17 Ų1761.8 Ų61.89%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-84.1136177.8-59.9168.3000110.1Y7 N8 H11 N61 R63 D76Y7-L13 HydrophobicContact CD1-CB 4.24Å; Y7-L13 VanDerWaalsContact CD1-O 3.31Å; Y7-L13 WeakPolarHBondContact CD1-O 3.48Å; Y7-L13 HydrophobicContact CE1-CB 3.45Å; Y7-L13 VanDerWaalsContact CE1-CB 3.45Å; Y7-L13 HydrophobicContact CE2-CB 4.41Å; Y7-L13 PolarHBondContact N-O 3.31Å; Y7-L13 VanDerWaalsContact N-O 3.09Å; Y7-L13 VanDerWaalsContact OH-CD1 3.28Å; Y7-L13 WeakPolarHBondContact OH-CD1 3.44Å; N8-L13 HydrophobicContact CB-CB 4.18Å; N8-L13 HydrophobicContact CB-CD1 4.37Å; N8-L13 PolarHBondContact N-O 3.16Å; N8-L13 PolarHBondContact O-N 3.13Å; N8-L13 VanDerWaalsContact O-N 3.11Å; H11-L13 HydrophobicContact CB-CD1 4.07Å; H11-L13 HydrophobicContact CB-CG 3.89Å; H11-L13 PolarHBondContact O-N 3.26Å; L13-N61 HydrophobicContact CD2-CB 4.48Å; L13-R63 HydrophobicContact CD1-CG 4.11Å; L13-R63 HydrophobicContact CD2-CG 4.31Å; L13-D76 HydrophobicContact CD1-CB 3.97Å; L13-D76 WeakPolarHBondContact CD1-OD1 3.42Å; L13-D76 WeakPolarHBondContact CD1-OD2 3.29Å
14T98.5Very high97.3Very high19 Ų1960.2 Ų60.212%0.11729%0.291CS..EExtended strand (participates in β ladder)trans-115.8156.5179.866.70000112.4D4 Y5 V6 K40 N61D4-T14 HydrophobicContact CB-CG2 4.19Å; D4-T14 PolarHBondContact OD1-OG1 3.4Å; D4-T14 VanDerWaalsContact OD1-OG1 3.1Å; Y5-T14 CarbonylContact O-C 3.44Å; Y5-T14 WeakPolarHBondContact O-CA 3.45Å; V6-T14 HydrophobicContact CG2-CG2 4.01Å; T14-K40 WeakPolarHBondContact OG1-CE 3.41Å; T14-K40 PolarHBondContact OG1-NZ 3.01Å; T14-N61 WeakPolarHBondContact O-CB 3.47Å; T14-N61 PolarHBondContact O-N 2.88Å
15L98.6Very high97.4Very high0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-128.5154.7170.160.579.3000110.4D4 Y5 Y7 I17 I58 V59 P60 V80 W83D4-L15 PolarHBondContact N-O 3.1Å; Y5-L15 HydrophobicContact CD1-CD1 3.98Å; Y5-L15 HydrophobicContact CD1-CD2 4.49Å; Y5-L15 HydrophobicContact CD1-CG 4.11Å; Y5-L15 HydrophobicContact CG-CD1 4.25Å; Y5-L15 PolarHBondContact N-O 3.15Å; Y5-L15 PolarHBondContact O-N 3.27Å; Y7-L15 HydrophobicContact CD1-CB 4Å; Y7-L15 HydrophobicContact CD1-CD2 3.77Å; Y7-L15 HydrophobicContact CD1-CG 3.94Å; Y7-L15 HydrophobicContact CE1-CB 4.45Å; Y7-L15 HydrophobicContact CG-CD2 3.8Å; Y7-L15 HydrophobicContact CG-CG 4.38Å; L15-I17 HydrophobicContact CD1-CD1 3.83Å; L15-I17 HydrophobicContact CD1-CG1 3.37Å; L15-I58 HydrophobicContact CB-CG2 4.37Å; L15-I58 HydrophobicContact CD1-CG2 4.11Å; L15-I58 HydrophobicContact CD2-CG2 3.79Å; L15-I58 HydrophobicContact CG-CG2 4.33Å; L15-V59 CarbonylContact C-O 3.57Å; L15-V59 VanDerWaalsContact CA-O 3.26Å; L15-V59 WeakPolarHBondContact CA-O 3.35Å; L15-P60 HydrophobicContact CB-CB 4.06Å; L15-V80 HydrophobicContact CD2-CG1 4.15Å; L15-V80 HydrophobicContact CD2-CG2 4.34Å; L15-W83 HydrophobicContact CD1-CH2 4.22Å; L15-W83 HydrophobicContact CD1-CZ3 4.38Å; L15-W83 HydrophobicContact CD2-CE3 4.08Å; L15-W83 HydrophobicContact CD2-CH2 4.5Å; L15-W83 HydrophobicContact CD2-CZ3 4.03Å
16D98.7Very high97.4Very high6 Ų651.6 Ų51.63%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-103.6142.9169.3-68.6-15.7000109.5I2 K3 D4 Y18 K40 V59I2-D16 WeakPolarHBondContact O-CA 3.34Å; K3-D16 VanDerWaalsContact CA-OD1 3.24Å; K3-D16 WeakPolarHBondContact CA-OD1 3.45Å; D4-D16 PolarHBondContact N-OD1 3.06Å; D16-Y18 HydrophobicContact CB-CD2 4.4Å; D16-Y18 HydrophobicContact CB-CE2 3.67Å; D16-K40 HydrophobicContact CB-CD 4.48Å; D16-K40 WeakPolarHBondContact OD1-CE 3.42Å; D16-K40 WeakPolarHBondContact OD2-CE 3.28Å; D16-V59 HydrophobicContact CB-CB 4.46Å; D16-V59 PolarHBondContact N-O 2.81Å; D16-V59 PolarHBondContact O-N 3.46Å
17I98.7Very high97.5Very high2 Ų249.2 Ų49.21%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-118.5121.5-178.6-51.9173.5000108.6M1 I2 Y5 L15 L56 I58 W83 Y89M1-I17 CarbonylContact C-O 3.51Å; M1-I17 WeakPolarHBondContact CA-O 3.39Å; I2-I17 HydrophobicContact CB-CB 4.18Å; I2-I17 HydrophobicContact CB-CD1 4.37Å; I2-I17 HydrophobicContact CD1-CD1 4.29Å; I2-I17 PolarHBondContact N-O 3.45Å; I2-I17 PolarHBondContact O-N 3.23Å; Y5-I17 HydrophobicContact CG-CD1 4.42Å; L15-I17 HydrophobicContact CD1-CD1 3.83Å; L15-I17 HydrophobicContact CD1-CG1 3.37Å; I17-L56 HydrophobicContact CG2-CD1 3.75Å; I17-I58 HydrophobicContact CB-CD1 4.32Å; I17-I58 HydrophobicContact CG1-CD1 4.03Å; I17-I58 HydrophobicContact CG2-CD1 3.84Å; I17-W83 HydrophobicContact CD1-CH2 3.72Å; I17-W83 HydrophobicContact CD1-CZ2 4.25Å; I17-W83 HydrophobicContact CG1-CH2 4.41Å; I17-Y89 HydrophobicContact CD1-CE2 4.47Å; I17-Y89 WeakPolarHBondContact CD1-OH 3.41Å
18Y98.6Very high97.5Very high8 Ų847.9 Ų47.93%0.03123%0.232CC..EExtended strand (participates in β ladder)trans-115.3118.8174.1-55.7-112.4000108.9M1 D16 A44 A47 E48 V51 V57 V59M1-Y18 HydrophobicContact CG-CD1 4.12Å; M1-Y18 HydrophobicContact CG-CE1 4.04Å; M1-Y18 HydrophobicContact CG-CG 4.46Å; M1-Y18 HydrophobicContact SD-CD1 4.25Å; M1-Y18 HydrophobicContact SD-CE1 3.64Å; D16-Y18 HydrophobicContact CB-CD2 4.4Å; D16-Y18 HydrophobicContact CB-CE2 3.67Å; Y18-A44 WeakPolarHBondContact OH-CB 3.2Å; Y18-A47 HydrophobicContact CD1-CB 4.07Å; Y18-A47 HydrophobicContact CD2-CB 3.68Å; Y18-A47 HydrophobicContact CE1-CB 4.13Å; Y18-A47 HydrophobicContact CE2-CB 3.75Å; Y18-A47 HydrophobicContact CG-CB 3.86Å; Y18-E48 HydrophobicContact CD1-CG 4.42Å; Y18-E48 HydrophobicContact CE1-CG 4.26Å; Y18-E48 WeakPolarHBondContact CE1-OE1 3.37Å; Y18-V51 VanDerWaalsContact CB-CG2 3.4Å; Y18-V57 PolarHBondContact N-O 3.3Å; Y18-V57 PolarHBondContact O-N 2.9Å; Y18-V59 HydrophobicContact CD2-CG2 4.04Å; Y18-V59 HydrophobicContact CE2-CG2 3.82Å
19E97.9Very high97.7Very high98 Ų9847.4 Ų47.446%0.45823%0.23SC..  trans-114.6126-168.5-173.6171.5174.200110.3I23 L56E19-I23 HydrophobicContact CG-CD1 4.18Å; E19-I23 HydrophobicContact CG-CG1 4.48Å; E19-L56 HydrophobicContact CB-CD1 4.07Å; E19-L56 HydrophobicContact CG-CD1 4.18Å
20P97.2Very high97.8Very high16 Ų1641.3 Ų41.310%0.10420%0.201CC..  trans-78.3166.7171.333.6-35.6000111.3T22 I23 V51 F55P20-T22 VanDerWaalsContact CG-O 3.28Å; P20-T22 WeakPolarHBondContact CG-O 3.39Å; P20-T22 PolarHBondContact O-N 2.99Å; P20-I23 HydrophobicContact CG-CB 4.48Å; P20-I23 HydrophobicContact CG-CG1 3.89Å; P20-V51 HydrophobicContact CB-CG1 3.95Å; P20-F55 WeakPolarHBondContact CD-O 3.29Å
21E94.9Very high97.8Very high205 Ų20534.4 Ų34.496%0.95817%0.169SC*.SBendtrans-60.9-30.8173.2-66-176.4174.700112.7
22T95.5Very high97.8Very high70 Ų7031.9 Ų31.943%0.42916%0.158SC..SBendtrans-137.3125.1175.3-63.10000109.1P20 E24P20-T22 VanDerWaalsContact CG-O 3.28Å; P20-T22 WeakPolarHBondContact CG-O 3.39Å; P20-T22 PolarHBondContact O-N 2.99Å; T22-E24 VanDerWaalsContact CG2-OE1 3.24Å; T22-E24 WeakPolarHBondContact CG2-OE1 3.32Å; T22-E24 PolarHBondContact O-N 3.1Å
23I97.6Very high97.6Very high7 Ų726.3 Ų26.34%0.03614%0.135CC..  trans-90.7102.2-178-56.7168.2000109E19 P20 A25 L56 Y89 P90 V91 K92E19-I23 HydrophobicContact CG-CD1 4.18Å; E19-I23 HydrophobicContact CG-CG1 4.48Å; P20-I23 HydrophobicContact CG-CB 4.48Å; P20-I23 HydrophobicContact CG-CG1 3.89Å; I23-A25 WeakPolarHBondContact CG2-O 3.43Å; I23-L56 HydrophobicContact CD1-CB 4.24Å; I23-L56 HydrophobicContact CD1-CD1 4.37Å; I23-L56 HydrophobicContact CD1-CD2 4.32Å; I23-L56 HydrophobicContact CG1-CB 4.18Å; I23-L56 HydrophobicContact CG2-CB 3.61Å; I23-Y89 HydrophobicContact CD1-CD1 4.08Å; I23-P90 HydrophobicContact CD1-CG 4.29Å; I23-V91 HydrophobicContact CG2-CB 4.28Å; I23-V91 HydrophobicContact CG2-CG1 4.35Å; I23-V91 HydrophobicContact CG2-CG2 4Å; I23-K92 WeakPolarHBondContact O-CG 3.3Å; I23-K92 PolarHBondContact O-N 2.94Å
24E97Very high97.4Very high91 Ų9125.7 Ų25.743%0.42513%0.132SC..SBendtrans-80.3-40175.3-64.9-58.2142.100111.3T22 G54 K92 G93T22-E24 VanDerWaalsContact CG2-OE1 3.24Å; T22-E24 WeakPolarHBondContact CG2-OE1 3.32Å; T22-E24 PolarHBondContact O-N 3.1Å; E24-G54 PolarHBondContact N-O 3.26Å; E24-K92 IonicContact OE1-NZ 3.73Å; E24-K92 PolarHBondContact OE1-NZ 3.13Å; E24-K92 IonicContact OE2-NZ 3.7Å; E24-G93 WeakPolarHBondContact O-CA 3.36Å; E24-G93 PolarHBondContact O-N 2.94Å
25A98.1Very high97.4Very high1 Ų124.8 Ų24.81%0.00813%0.127CC..EExtended strand (participates in β ladder)trans-151.2171.9176.500000109.4I23 F55 L56 K94 V255I23-A25 WeakPolarHBondContact CG2-O 3.43Å; A25-F55 HydrophobicContact CB-CD1 3.71Å; A25-F55 HydrophobicContact CB-CE1 3.69Å; A25-F55 CarbonylContact O-C 3.56Å; A25-F55 VanDerWaalsContact O-CA 3.29Å; A25-F55 WeakPolarHBondContact O-CA 3.29Å; A25-L56 PolarHBondContact O-N 3.39Å; A25-K94 WeakPolarHBondContact CB-O 3.43Å; A25-V255 HydrophobicContact CB-CB 3.89Å; A25-V255 HydrophobicContact CB-CG1 3.5Å; A25-V255 HydrophobicContact CB-CG2 4.18Å
26A98.7Very high97.2Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-114.6150.8172.300000110.7L56 L84 V91 K94 I95 T96A26-L56 CarbonylContact C-O 3.57Å; A26-L56 VanDerWaalsContact CA-O 3.3Å; A26-L56 WeakPolarHBondContact CA-O 3.4Å; A26-L56 HydrophobicContact CB-CB 4.15Å; A26-L56 HydrophobicContact CB-CD2 4.35Å; A26-L84 HydrophobicContact CB-CD2 3.86Å; A26-V91 HydrophobicContact CB-CG1 4.05Å; A26-V91 HydrophobicContact CB-CG2 3.96Å; A26-K94 PolarHBondContact N-O 3.48Å; A26-K94 VanDerWaalsContact N-O 3.11Å; A26-I95 HydrophobicContact CB-CG1 4.29Å; A26-I95 CarbonylContact O-C 3.53Å; A26-T96 PolarHBondContact O-N 2.88Å; A26-T96 PolarHBondContact O-OG1 3.18Å
27I98.9Very high97Very high0 Ų027.1 Ų27.10%014%0.136CC..EExtended strand (participates in β ladder)trans-134.4124.5177.7-166.5168.3000110.5L50 F55 L56 V57 I58 T96 L98 L251I27-L50 HydrophobicContact CD1-CD1 4.16Å; I27-L50 HydrophobicContact CD1-CD2 4.2Å; I27-L50 HydrophobicContact CG2-CD1 4.34Å; I27-F55 HydrophobicContact CB-CB 4.36Å; I27-F55 HydrophobicContact CB-CD1 4.16Å; I27-F55 HydrophobicContact CB-CG 4.37Å; I27-F55 HydrophobicContact CG2-CB 3.73Å; I27-F55 HydrophobicContact CG2-CD1 4.42Å; I27-F55 HydrophobicContact CG2-CG 4.15Å; I27-L56 PolarHBondContact N-O 3.24Å; I27-V57 HydrophobicContact CG2-CB 4.01Å; I27-V57 HydrophobicContact CG2-CG1 3.92Å; I27-V57 HydrophobicContact CG2-CG2 3.71Å; I27-V57 WeakPolarHBondContact O-CA 3.42Å; I27-I58 PolarHBondContact O-N 2.97Å; I27-T96 WeakPolarHBondContact CA-O 3.16Å; I27-T96 WeakPolarHBondContact CA-OG1 3.24Å; I27-T96 WeakPolarHBondContact CB-OG1 3.28Å; I27-T96 WeakPolarHBondContact CG1-OG1 3.11Å; I27-L98 HydrophobicContact CD1-CB 3.54Å; I27-L98 HydrophobicContact CD1-CD2 4.1Å; I27-L98 HydrophobicContact CD1-CG 4.49Å; I27-L98 HydrophobicContact CG1-CB 4.06Å; I27-L251 HydrophobicContact CD1-CD1 3.64Å
28I98.9Very high96.7Very high0 Ų028.3 Ų28.30%015%0.148CC..EExtended strand (participates in β ladder)trans-87.2107.1169.1-58.2170.1000106.6I30 I58 P60 V80 Y81 L84 I95 T96 A97 L98 L110I28-I30 HydrophobicContact CG2-CD1 4.33Å; I28-I30 HydrophobicContact CG2-CG1 3.88Å; I28-I58 CarbonylContact C-O 3.46Å; I28-I58 WeakPolarHBondContact CA-O 3.49Å; I28-P60 HydrophobicContact CG2-CG 4.15Å; I28-V80 HydrophobicContact CD1-CG1 4.22Å; I28-V80 HydrophobicContact CG1-CG1 4.33Å; I28-V80 HydrophobicContact CG2-CG1 4.1Å; I28-Y81 HydrophobicContact CD1-CD2 4.18Å; I28-L84 HydrophobicContact CD1-CD2 4.31Å; I28-L84 HydrophobicContact CG1-CD2 4.05Å; I28-I95 HydrophobicContact CD1-CG2 3.92Å; I28-I95 HydrophobicContact CG1-CG2 4.18Å; I28-T96 PolarHBondContact N-O 3.37Å; I28-A97 WeakPolarHBondContact O-CA 3.23Å; I28-L98 PolarHBondContact O-N 2.79Å; I28-L110 HydrophobicContact CD1-CD2 3.83Å
29L98.8Very high96.5Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-96.4107.2-177.1177.459.8000110E43 L46 A47 L50 V57 I58 V59 P60 L98L29-E43 HydrophobicContact CD2-CB 3.71Å; L29-E43 HydrophobicContact CD2-CG 4.49Å; L29-E43 HydrophobicContact CG-CB 3.97Å; L29-E43 HydrophobicContact CG-CG 4.24Å; L29-L46 HydrophobicContact CD1-CD2 3.75Å; L29-L46 HydrophobicContact CD1-CG 4.28Å; L29-L46 HydrophobicContact CD2-CB 4.18Å; L29-L46 HydrophobicContact CD2-CD2 4.2Å; L29-L46 HydrophobicContact CD2-CG 3.93Å; L29-A47 HydrophobicContact CD2-CB 4.14Å; L29-L50 HydrophobicContact CD1-CD1 4.4Å; L29-L50 HydrophobicContact CD2-CD1 3.97Å; L29-V57 HydrophobicContact CB-CG1 3.84Å; L29-V57 HydrophobicContact CD2-CG1 4.03Å; L29-I58 PolarHBondContact N-O 2.85Å; L29-V59 HydrophobicContact CB-CG2 4.27Å; L29-V59 HydrophobicContact CD2-CG2 4.3Å; L29-V59 WeakPolarHBondContact O-CG1 3.48Å; L29-P60 WeakPolarHBondContact O-CD 3.29Å; L29-L98 CarbonylContact C-O 3.53Å; L29-L98 WeakPolarHBondContact CA-O 3.46Å; L29-L98 HydrophobicContact CD1-CB 4.21Å; L29-L98 HydrophobicContact CD1-CD2 4.02Å; L29-L98 HydrophobicContact CD1-CG 3.92Å
30I98.8Very high96.4Very high0 Ų027.6 Ų27.60%015%0.147CC..EExtended strand (participates in β ladder)trans-104.3122.5-167.2-49.4168000109.9I28 Y62 V77 L98 G99 G103 L106 A107I28-I30 HydrophobicContact CG2-CD1 4.33Å; I28-I30 HydrophobicContact CG2-CG1 3.88Å; I30-Y62 HydrophobicContact CG2-CD1 4.03Å; I30-Y62 HydrophobicContact CG2-CE1 3.66Å; I30-V77 HydrophobicContact CD1-CG1 3.74Å; I30-V77 HydrophobicContact CD1-CG2 4.23Å; I30-V77 HydrophobicContact CG2-CG2 4.31Å; I30-L98 PolarHBondContact N-O 3.22Å; I30-G99 VanDerWaalsContact O-CA 3.29Å; I30-G99 WeakPolarHBondContact O-CA 3.35Å; I30-G103 WeakPolarHBondContact O-CA 3.5Å; I30-L106 HydrophobicContact CD1-CB 3.9Å; I30-L106 HydrophobicContact CG2-CB 4.01Å; I30-L106 HydrophobicContact CG2-CD1 3.76Å; I30-A107 HydrophobicContact CD1-CB 4.26Å
31H97.4Very high96.3Very high1 Ų129.8 Ų29.81%0.00517%0.167CC..  trans-70.3146.2-177.671.881.6000113G38 D39 E43 P60 Y62 G103H31-G38 PolarHBondContact CE1-O 2.87Å; H31-G38 VanDerWaalsContact CE1-O 3.31Å; H31-D39 VanDerWaalsContact CD2-C 3.48Å; H31-E43 VanDerWaalsContact CA-OE1 3.29Å; H31-E43 WeakPolarHBondContact CA-OE1 3.2Å; H31-E43 HydrophobicContact CB-CG 3.71Å; H31-E43 WeakPolarHBondContact CB-OE1 3.48Å; H31-P60 PolarHBondContact CD2-O 3.08Å; H31-Y62 AromaticContact CD2-CE1 3.64Å; H31-Y62 AromaticContact CE1-CE1 3.38Å; H31-Y62 WeakPolarHBondContact CE1-CE1 3.37Å; H31-Y62 AromaticContact CE1-CE2 4Å; H31-Y62 AromaticContact CE1-CZ 3.33Å; H31-Y62 PolarHBondContact CE1-OH 3.15Å; H31-Y62 AromaticContact CG-CE1 3.92Å; H31-Y62 AromaticContact ND1-CE1 3.77Å; H31-Y62 AromaticContact ND1-CZ 3.76Å; H31-Y62 PolarHBondContact ND1-OH 3.09Å; H31-Y62 AromaticContact NE2-CD1 3.6Å; H31-Y62 AromaticContact NE2-CE1 3.29Å; H31-Y62 VanDerWaalsContact NE2-CE1 3.29Å; H31-Y62 WeakPolarHBondContact NE2-CE1 3.43Å; H31-Y62 AromaticContact NE2-CZ 3.74Å; H31-Y62 WeakPolarHBondContact O-CE1 3.41Å; H31-Y62 PolarHBondContact O-OH 3.5Å; H31-G103 WeakPolarHBondContact O-CA 3.38Å; H31-G103 PolarHBondContact O-N 3.05Å
32G95.6Very high96.2Very high4 Ų422.7 Ų22.74%0.04113%0.133CC..  trans-81.7174.7170.600000113.8K42 S100G32-K42 PolarHBondContact O-NZ 3.15Å; G32-S100 WeakPolarHBondContact CA-O 3.15Å
33G93.7Very high96.1Very high8 Ų819.4 Ų19.48%0.08211%0.113CC..SBendtrans144.525.5176.900000115.6W35 F36 R37G33-W35 PolarHBondContact O-N 2.97Å; G33-W35 VanDerWaalsContact O-N 3.1Å; G33-F36 WeakPolarHBondContact O-CD1 3.34Å; G33-F36 WeakPolarHBondContact O-CE1 3.25Å; G33-F36 PolarHBondContact O-N 3.11Å; G33-F36 VanDerWaalsContact O-N 3.14Å; G33-R37 WeakPolarHBondContact CA-O 3.44Å; G33-R37 VanDerWaalsContact O-CG 3.29Å; G33-R37 WeakPolarHBondContact O-CG 3.46Å; G33-R37 PolarHBondContact O-N 3.46Å
34G94.3Very high96.1Very high4 Ų420.6 Ų20.64%0.04112%0.123CC..THydrogen-bonded Turntrans5824.5-179.800000114.1F36G34-F36 VanDerWaalsContact O-CD1 3.28Å; G34-F36 WeakPolarHBondContact O-CD1 3.46Å; G34-F36 PolarHBondContact O-N 2.89Å
35W97.4Very high96Very high0 Ų019.9 Ų19.90%013%0.133CC..THydrogen-bonded Turntrans59.43.3-172.7-47.1-85.4000116G33 L64 A65 A102 N105 I124 L127 F168 I169 Y172G33-W35 PolarHBondContact O-N 2.97Å; G33-W35 VanDerWaalsContact O-N 3.1Å; W35-L64 CarbonylContact O-C 3.59Å; W35-L64 VanDerWaalsContact O-CA 3.24Å; W35-L64 WeakPolarHBondContact O-CA 3.42Å; W35-L64 WeakPolarHBondContact O-CB 3.44Å; W35-L64 WeakPolarHBondContact O-CD2 3.4Å; W35-A65 PolarHBondContact O-N 2.95Å; W35-A102 HydrophobicContact CD2-CB 3.71Å; W35-A102 HydrophobicContact CE3-CB 4.32Å; W35-A102 HydrophobicContact CG-CB 3.9Å; W35-A102 HydrophobicContact CZ2-CB 4.17Å; W35-N105 HydrophobicContact CZ2-CB 3.67Å; W35-I124 HydrophobicContact CE3-CD1 4.43Å; W35-I124 HydrophobicContact CH2-CB 3.75Å; W35-I124 HydrophobicContact CH2-CD1 3.56Å; W35-I124 HydrophobicContact CH2-CG1 4.28Å; W35-I124 HydrophobicContact CH2-CG2 3.72Å; W35-I124 HydrophobicContact CZ2-CB 4.37Å; W35-I124 HydrophobicContact CZ2-CD1 4.16Å; W35-I124 HydrophobicContact CZ3-CD1 3.7Å; W35-I124 HydrophobicContact CZ3-CG2 4.29Å; W35-L127 HydrophobicContact CH2-CD2 4.41Å; W35-F168 HydrophobicContact CE3-CD2 4.28Å; W35-F168 AromaticContact CZ3-CD2 3.86Å; W35-F168 HydrophobicContact CZ3-CD2 3.86Å; W35-F168 HydrophobicContact CZ3-CE2 4.08Å; W35-I169 HydrophobicContact CZ3-CG1 4.46Å; W35-Y172 HydrophobicContact CB-CD2 3.49Å; W35-Y172 VanDerWaalsContact CB-CD2 3.49Å; W35-Y172 HydrophobicContact CB-CE2 3.86Å; W35-Y172 HydrophobicContact CB-CG 4.21Å; W35-Y172 AromaticContact CD1-CE2 3.63Å; W35-Y172 AromaticContact CD1-CZ 3.89Å; W35-Y172 HydrophobicContact CD2-CD1 4.03Å; W35-Y172 AromaticContact CD2-CD2 3.85Å; W35-Y172 HydrophobicContact CD2-CD2 3.85Å; W35-Y172 HydrophobicContact CD2-CE1 4.27Å; W35-Y172 HydrophobicContact CD2-CE2 4.12Å; W35-Y172 AromaticContact CD2-CG 3.8Å; W35-Y172 HydrophobicContact CD2-CG 3.8Å; W35-Y172 HydrophobicContact CE3-CD1 4.07Å; W35-Y172 HydrophobicContact CE3-CD2 4.24Å; W35-Y172 AromaticContact CE3-CG 3.79Å; W35-Y172 HydrophobicContact CE3-CG 3.79Å; W35-Y172 AromaticContact CG-CD2 3.52Å; W35-Y172 HydrophobicContact CG-CD2 3.52Å; W35-Y172 AromaticContact CG-CE2 3.61Å; W35-Y172 HydrophobicContact CG-CE2 3.61Å; W35-Y172 AromaticContact CG-CG 4Å; W35-Y172 HydrophobicContact CG-CG 4Å; W35-Y172 HydrophobicContact CH2-CD1 4.45Å; W35-Y172 HydrophobicContact CZ2-CD1 4.42Å; W35-Y172 HydrophobicContact CZ2-CE1 4.34Å; W35-Y172 HydrophobicContact CZ3-CD1 4.29Å; W35-Y172 HydrophobicContact CZ3-CG 4.4Å; W35-Y172 AromaticContact NE1-CZ 3.91Å
36F94.8Very high95.9Very high28 Ų2820 Ų2012%0.12313%0.134CC..THydrogen-bonded Turntrans-111.6-6.5-177.672.8-92.8000113.9G33 G34 A65 M141 F147 F164 W167 F168G33-F36 WeakPolarHBondContact O-CD1 3.34Å; G33-F36 WeakPolarHBondContact O-CE1 3.25Å; G33-F36 PolarHBondContact O-N 3.11Å; G33-F36 VanDerWaalsContact O-N 3.14Å; G34-F36 VanDerWaalsContact O-CD1 3.28Å; G34-F36 WeakPolarHBondContact O-CD1 3.46Å; G34-F36 PolarHBondContact O-N 2.89Å; F36-A65 WeakPolarHBondContact CA-O 3.37Å; F36-A65 VanDerWaalsContact CB-O 3.3Å; F36-A65 WeakPolarHBondContact CB-O 3.39Å; F36-M141 HydrophobicContact CD2-CE 4.06Å; F36-M141 HydrophobicContact CE2-CE 3.56Å; F36-M141 HydrophobicContact CZ-CE 4.23Å; F36-F147 HydrophobicContact CZ-CE1 4.02Å; F36-F164 HydrophobicContact CE1-CE2 4.27Å; F36-F164 HydrophobicContact CE1-CZ 4.03Å; F36-F164 HydrophobicContact CZ-CE2 4.2Å; F36-F164 HydrophobicContact CZ-CZ 4.04Å; F36-W167 HydrophobicContact CD1-CH2 4.47Å; F36-W167 AromaticContact CD1-CZ3 3.82Å; F36-W167 HydrophobicContact CD1-CZ3 3.82Å; F36-W167 HydrophobicContact CD2-CH2 4.36Å; F36-W167 HydrophobicContact CD2-CZ3 4.32Å; F36-W167 AromaticContact CE1-CZ3 3.81Å; F36-W167 HydrophobicContact CE1-CZ3 3.81Å; F36-W167 HydrophobicContact CE2-CZ3 4.27Å; F36-W167 HydrophobicContact CG-CH2 4.34Å; F36-W167 HydrophobicContact CG-CZ3 4.13Å; F36-W167 HydrophobicContact CZ-CZ3 4.05Å; F36-F168 HydrophobicContact CD1-CB 3.94Å; F36-F168 HydrophobicContact CE1-CB 3.9Å
37R93.5Very high95.9Very high27 Ų2720 Ų2010%0.10213%0.134CC..SBendtrans-157.7176.8179.765170.3-167.9-169.214.2112G33 F147 D148 I155G33-R37 WeakPolarHBondContact CA-O 3.44Å; G33-R37 VanDerWaalsContact O-CG 3.29Å; G33-R37 WeakPolarHBondContact O-CG 3.46Å; G33-R37 PolarHBondContact O-N 3.46Å; R37-F147 VanDerWaalsContact CZ-O 3.27Å; R37-F147 PolarHBondContact NH1-O 2.91Å; R37-F147 VanDerWaalsContact NH2-CZ 3.31Å; R37-F147 PolarHBondContact NH2-O 3.16Å; R37-F147 VanDerWaalsContact NH2-O 3.15Å; R37-D148 IonicContact CZ-OD1 3.86Å; R37-D148 IonicContact NH1-OD1 3.55Å; R37-D148 PolarHBondContact NH1-OD1 3.31Å; R37-I155 VanDerWaalsContact NH2-CG2 3.31Å
38G92.4Very high95.9Very high26 Ų2624.3 Ų24.327%0.26815%0.154SC..  trans92.8165.2178.100000111.8H31H31-G38 PolarHBondContact CE1-O 2.87Å; H31-G38 VanDerWaalsContact CE1-O 3.31Å
39D95.5Very high95.8Very high73 Ų7328.7 Ų28.739%0.3917%0.173SC..  trans-152.3171.6177.962.253000109.8H31 A41 K42 N61H31-D39 VanDerWaalsContact CD2-C 3.48Å; D39-A41 PolarHBondContact O-N 2.89Å; D39-A41 WeakPolarHBondContact OD1-CA 3.38Å; D39-A41 WeakPolarHBondContact OD1-CB 3.26Å; D39-A41 PolarHBondContact OD1-N 3.03Å; D39-K42 WeakPolarHBondContact O-CB 3.3Å; D39-K42 WeakPolarHBondContact O-CG 3.2Å; D39-K42 PolarHBondContact O-N 2.95Å; D39-N61 VanDerWaalsContact CA-OD1 3.32Å; D39-N61 WeakPolarHBondContact CA-OD1 3.27Å; D39-N61 WeakPolarHBondContact CB-OD1 3.29Å
40K95.7Very high95.8Very high18 Ų1828.7 Ų28.78%0.07817%0.173CC..G310 helixtrans-56.6-26.5178.868.3-169.9-165.7-580114.4D4 T14 D16 K42 E43 V59 N61D4-K40 WeakPolarHBondContact OD1-CE 3.28Å; D4-K40 IonicContact OD1-NZ 3.22Å; D4-K40 PolarHBondContact OD1-NZ 3.35Å; T14-K40 WeakPolarHBondContact OG1-CE 3.41Å; T14-K40 PolarHBondContact OG1-NZ 3.01Å; D16-K40 HydrophobicContact CB-CD 4.48Å; D16-K40 WeakPolarHBondContact OD1-CE 3.42Å; D16-K40 WeakPolarHBondContact OD2-CE 3.28Å; K40-K42 PolarHBondContact O-N 3.48Å; K40-E43 PolarHBondContact O-N 3.41Å; K40-E43 VanDerWaalsContact O-N 3.12Å; K40-V59 HydrophobicContact CB-CB 4.24Å; K40-V59 HydrophobicContact CB-CG1 3.63Å; K40-V59 WeakPolarHBondContact CB-O 3.45Å; K40-V59 WeakPolarHBondContact O-CG1 3.29Å; K40-N61 PolarHBondContact N-OD1 3.29Å
41A94.5Very high95.8Very high63 Ų6329.9 Ų29.952%0.52118%0.18SC..G310 helixtrans-66.7-23.2-177.800000112.1D39 E43 A44D39-A41 PolarHBondContact O-N 2.89Å; D39-A41 WeakPolarHBondContact OD1-CA 3.38Å; D39-A41 WeakPolarHBondContact OD1-CB 3.26Å; D39-A41 PolarHBondContact OD1-N 3.03Å; A41-E43 PolarHBondContact O-N 3.34Å; A41-A44 PolarHBondContact O-N 3.11Å
42K92.2Very high95.8Very high55 Ų5538 Ų3824%0.23922%0.215CC..G310 helixtrans-60.2-30.9174.5-67175.161.3-1610113.3G32 D39 K40 S152G32-K42 PolarHBondContact O-NZ 3.15Å; D39-K42 WeakPolarHBondContact O-CB 3.3Å; D39-K42 WeakPolarHBondContact O-CG 3.2Å; D39-K42 PolarHBondContact O-N 2.95Å; K40-K42 PolarHBondContact O-N 3.48Å; K42-S152 WeakPolarHBondContact CE-OG 3.4Å; K42-S152 PolarHBondContact NZ-OG 3.04Å
43E95.5Very high95.9Very high2 Ų240.9 Ų40.91%0.00923%0.228CC..G310 helixtrans-93.7-2.4-171.3-53.3-56143.500112.9L29 H31 K40 A41 A45 L46 A47 V59L29-E43 HydrophobicContact CD2-CB 3.71Å; L29-E43 HydrophobicContact CD2-CG 4.49Å; L29-E43 HydrophobicContact CG-CB 3.97Å; L29-E43 HydrophobicContact CG-CG 4.24Å; H31-E43 VanDerWaalsContact CA-OE1 3.29Å; H31-E43 WeakPolarHBondContact CA-OE1 3.2Å; H31-E43 HydrophobicContact CB-CG 3.71Å; H31-E43 WeakPolarHBondContact CB-OE1 3.48Å; K40-E43 PolarHBondContact O-N 3.41Å; K40-E43 VanDerWaalsContact O-N 3.12Å; A41-E43 PolarHBondContact O-N 3.34Å; E43-A45 VanDerWaalsContact C-N 3.29Å; E43-A45 PolarHBondContact O-N 3.22Å; E43-L46 PolarHBondContact O-N 3.21Å; E43-A47 PolarHBondContact O-N 3.3Å; E43-V59 HydrophobicContact CB-CG1 3.67Å; E43-V59 HydrophobicContact CG-CG1 4.02Å
44A95.9Very high96Very high31 Ų3141.1 Ų41.126%0.25623%0.23SC..Hα-helixtrans-53.9-42.4-174.500000113.1Y18 A41 L46 A47 E48Y18-A44 WeakPolarHBondContact OH-CB 3.2Å; A41-A44 PolarHBondContact O-N 3.11Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 PolarHBondContact O-N 2.86Å; A44-A47 PolarHBondContact O-N 3.41Å; A44-E48 VanDerWaalsContact O-CG 3.32Å; A44-E48 WeakPolarHBondContact O-CG 3.31Å; A44-E48 PolarHBondContact O-N 3.22Å; A44-E48 VanDerWaalsContact O-N 3.07Å
45A95.4Very high96.3Very high76 Ų7641.1 Ų41.163%0.62823%0.229SC*.Hα-helixtrans-68.3-31.8179.600000113.2E43E43-A45 VanDerWaalsContact C-N 3.29Å; E43-A45 PolarHBondContact O-N 3.22Å
46L97Very high96.3Very high5 Ų541.1 Ų41.13%0.02623%0.229CC..Hα-helixtrans-78.9-37.6175.8175.855.2000110.9L29 E43 A44 E48 K49 L50 L98 W121 L240 Y244L29-L46 HydrophobicContact CD1-CD2 3.75Å; L29-L46 HydrophobicContact CD1-CG 4.28Å; L29-L46 HydrophobicContact CD2-CB 4.18Å; L29-L46 HydrophobicContact CD2-CD2 4.2Å; L29-L46 HydrophobicContact CD2-CG 3.93Å; E43-L46 PolarHBondContact O-N 3.21Å; A44-L46 VanDerWaalsContact C-N 3.33Å; A44-L46 PolarHBondContact O-N 2.86Å; L46-E48 VanDerWaalsContact C-N 3.34Å; L46-E48 PolarHBondContact O-N 3.11Å; L46-K49 WeakPolarHBondContact O-CB 3.21Å; L46-K49 PolarHBondContact O-N 3.36Å; L46-L50 HydrophobicContact CD1-CD1 4.02Å; L46-L50 HydrophobicContact CD1-CG 4.13Å; L46-L50 HydrophobicContact CG-CD1 3.89Å; L46-L50 HydrophobicContact CG-CG 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.09Å; L46-L50 PolarHBondContact O-N 3.36Å; L46-L98 HydrophobicContact CD2-CD2 4.29Å; L46-W121 HydrophobicContact CD1-CH2 4.02Å; L46-W121 HydrophobicContact CD1-CZ3 4.41Å; L46-W121 HydrophobicContact CD2-CH2 3.96Å; L46-W121 HydrophobicContact CD2-CZ3 3.64Å; L46-L240 HydrophobicContact CD1-CD1 4.16Å; L46-Y244 HydrophobicContact CD1-CD2 3.95Å; L46-Y244 HydrophobicContact CD1-CE2 3.84Å
47A98.1Very high96.5Very high0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-57-46.8173.300000111.6Y18 L29 E43 A44 K49 L50 V51 V57 V59Y18-A47 HydrophobicContact CD1-CB 4.07Å; Y18-A47 HydrophobicContact CD2-CB 3.68Å; Y18-A47 HydrophobicContact CE1-CB 4.13Å; Y18-A47 HydrophobicContact CE2-CB 3.75Å; Y18-A47 HydrophobicContact CG-CB 3.86Å; L29-A47 HydrophobicContact CD2-CB 4.14Å; E43-A47 PolarHBondContact O-N 3.3Å; A44-A47 PolarHBondContact O-N 3.41Å; A47-K49 PolarHBondContact O-N 2.89Å; A47-L50 PolarHBondContact O-N 2.91Å; A47-L50 VanDerWaalsContact O-N 3.16Å; A47-V51 WeakPolarHBondContact O-CG2 3.5Å; A47-V51 PolarHBondContact O-N 3.44Å; A47-V57 HydrophobicContact CB-CB 4.31Å; A47-V57 HydrophobicContact CB-CG1 3.77Å; A47-V59 HydrophobicContact CB-CG2 4Å
48E97.7Very high96.8Very high90 Ų9038.5 Ų38.542%0.42122%0.218SC..Hα-helixtrans-61.3-27.3175.7-70.6-68.9167.800113.6Y18 A44 L46 K52Y18-E48 HydrophobicContact CD1-CG 4.42Å; Y18-E48 HydrophobicContact CE1-CG 4.26Å; Y18-E48 WeakPolarHBondContact CE1-OE1 3.37Å; A44-E48 VanDerWaalsContact O-CG 3.32Å; A44-E48 WeakPolarHBondContact O-CG 3.31Å; A44-E48 PolarHBondContact O-N 3.22Å; A44-E48 VanDerWaalsContact O-N 3.07Å; L46-E48 VanDerWaalsContact C-N 3.34Å; L46-E48 PolarHBondContact O-N 3.11Å; E48-K52 WeakPolarHBondContact O-CG 3.42Å
49K97.7Very high97.1Very high92 Ų9237.2 Ų37.240%0.421%0.205SC..Hα-helixtrans-76.1-45.6173.4-71.9178.2176.9-177.90111.3L46 A47 V51 K52 Y244L46-K49 WeakPolarHBondContact O-CB 3.21Å; L46-K49 PolarHBondContact O-N 3.36Å; A47-K49 PolarHBondContact O-N 2.89Å; K49-V51 VanDerWaalsContact C-N 3.35Å; K49-V51 PolarHBondContact O-N 3.22Å; K49-K52 WeakPolarHBondContact O-CB 3.39Å; K49-K52 PolarHBondContact O-N 3.24Å; K49-K52 VanDerWaalsContact O-N 3.15Å; K49-Y244 HydrophobicContact CB-CE2 4.16Å; K49-Y244 PolarHBondContact O-OH 2.78Å
50L98.3Very high97.2Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-67.5-32.7-178.6-69.5161.7000112.7I27 L29 L46 A47 K52 E53 F55 V57 L98 Y244 V248I27-L50 HydrophobicContact CD1-CD1 4.16Å; I27-L50 HydrophobicContact CD1-CD2 4.2Å; I27-L50 HydrophobicContact CG2-CD1 4.34Å; L29-L50 HydrophobicContact CD1-CD1 4.4Å; L29-L50 HydrophobicContact CD2-CD1 3.97Å; L46-L50 HydrophobicContact CD1-CD1 4.02Å; L46-L50 HydrophobicContact CD1-CG 4.13Å; L46-L50 HydrophobicContact CG-CD1 3.89Å; L46-L50 HydrophobicContact CG-CG 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.09Å; L46-L50 PolarHBondContact O-N 3.36Å; A47-L50 PolarHBondContact O-N 2.91Å; A47-L50 VanDerWaalsContact O-N 3.16Å; L50-K52 VanDerWaalsContact C-N 3.25Å; L50-K52 PolarHBondContact O-N 3.24Å; L50-E53 WeakPolarHBondContact O-CA 3.47Å; L50-E53 VanDerWaalsContact O-CB 3.31Å; L50-E53 WeakPolarHBondContact O-CB 3.26Å; L50-E53 PolarHBondContact O-N 2.91Å; L50-F55 HydrophobicContact CB-CD2 4.5Å; L50-F55 HydrophobicContact CD2-CD2 4.29Å; L50-F55 PolarHBondContact O-N 3.09Å; L50-V57 HydrophobicContact CB-CG2 3.63Å; L50-L98 HydrophobicContact CD1-CD2 3.96Å; L50-L98 HydrophobicContact CD2-CD2 4.34Å; L50-Y244 HydrophobicContact CD2-CE2 4.07Å; L50-Y244 HydrophobicContact CG-CE2 4.39Å; L50-V248 HydrophobicContact CD2-CG2 4.04Å
51V98.3Very high97.4Very high24 Ų2434.6 Ų34.615%0.14519%0.192CC..Hα-helixtrans-58-40.1171.3165.80000111.5Y18 P20 A47 K49 E53 G54 V57Y18-V51 VanDerWaalsContact CB-CG2 3.4Å; P20-V51 HydrophobicContact CB-CG1 3.95Å; A47-V51 WeakPolarHBondContact O-CG2 3.5Å; A47-V51 PolarHBondContact O-N 3.44Å; K49-V51 VanDerWaalsContact C-N 3.35Å; K49-V51 PolarHBondContact O-N 3.22Å; V51-E53 PolarHBondContact O-N 2.82Å; V51-G54 PolarHBondContact O-N 3.06Å; V51-V57 HydrophobicContact CG2-CB 4.45Å; V51-V57 HydrophobicContact CG2-CG2 3.75Å
52K97.6Very high97.6Very high171 Ų17131.9 Ų31.974%0.74317%0.168SC*.THydrogen-bonded Turntrans-67.1-16.6177.4-63.1172.1-174.8178.60113E48 K49 L50 G54E48-K52 WeakPolarHBondContact O-CG 3.42Å; K49-K52 WeakPolarHBondContact O-CB 3.39Å; K49-K52 PolarHBondContact O-N 3.24Å; K49-K52 VanDerWaalsContact O-N 3.15Å; L50-K52 VanDerWaalsContact C-N 3.25Å; L50-K52 PolarHBondContact O-N 3.24Å; K52-G54 VanDerWaalsContact C-N 3.34Å
53E97.6Very high97.9Very high65 Ų6530.9 Ų30.930%0.30416%0.163SC..THydrogen-bonded Turntrans-86.9-4174.3-59.7-65.4166.500113L50 V51 F55 Y244 V248 K252L50-E53 WeakPolarHBondContact O-CA 3.47Å; L50-E53 VanDerWaalsContact O-CB 3.31Å; L50-E53 WeakPolarHBondContact O-CB 3.26Å; L50-E53 PolarHBondContact O-N 2.91Å; V51-E53 PolarHBondContact O-N 2.82Å; E53-F55 HydrophobicContact CB-CD2 3.79Å; E53-F55 HydrophobicContact CB-CE2 3.93Å; E53-Y244 WeakPolarHBondContact CG-OH 3.4Å; E53-Y244 PolarHBondContact OE1-OH 3.11Å; E53-V248 HydrophobicContact CB-CG1 4.27Å; E53-V248 HydrophobicContact CG-CG1 3.89Å; E53-V248 HydrophobicContact CG-CG2 4.4Å; E53-K252 WeakPolarHBondContact O-CE 3.48Å; E53-K252 PolarHBondContact O-NZ 3.35Å; E53-K252 IonicContact OE2-NZ 3.85Å; E53-K252 PolarHBondContact OE2-NZ 2.88Å
54G97.5Very high98Very high13 Ų1333 Ų3313%0.13417%0.174CC..THydrogen-bonded Turntrans959.6-179.400000114.8E24 V51 K52E24-G54 PolarHBondContact N-O 3.26Å; V51-G54 PolarHBondContact O-N 3.06Å; K52-G54 VanDerWaalsContact C-N 3.34Å
55F98.6Very high98.1Very high4 Ų431.8 Ų31.82%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-86134.6176.9-65.6-79.9000112P20 A25 I27 L50 E53 V57 V248 L251 K252 V255P20-F55 WeakPolarHBondContact CD-O 3.29Å; A25-F55 HydrophobicContact CB-CD1 3.71Å; A25-F55 HydrophobicContact CB-CE1 3.69Å; A25-F55 CarbonylContact O-C 3.56Å; A25-F55 VanDerWaalsContact O-CA 3.29Å; A25-F55 WeakPolarHBondContact O-CA 3.29Å; I27-F55 HydrophobicContact CB-CB 4.36Å; I27-F55 HydrophobicContact CB-CD1 4.16Å; I27-F55 HydrophobicContact CB-CG 4.37Å; I27-F55 HydrophobicContact CG2-CB 3.73Å; I27-F55 HydrophobicContact CG2-CD1 4.42Å; I27-F55 HydrophobicContact CG2-CG 4.15Å; L50-F55 HydrophobicContact CB-CD2 4.5Å; L50-F55 HydrophobicContact CD2-CD2 4.29Å; L50-F55 PolarHBondContact O-N 3.09Å; E53-F55 HydrophobicContact CB-CD2 3.79Å; E53-F55 HydrophobicContact CB-CE2 3.93Å; F55-V57 HydrophobicContact CB-CG2 4.26Å; F55-V57 PolarHBondContact O-N 3.42Å; F55-V248 HydrophobicContact CE2-CG1 4.43Å; F55-L251 HydrophobicContact CZ-CB 4.03Å; F55-K252 HydrophobicContact CE2-CG 4.24Å; F55-K252 HydrophobicContact CZ-CG 3.89Å; F55-V255 HydrophobicContact CE1-CG1 4.49Å
56L98.8Very high98.1Very high0 Ų032.2 Ų32.20%016%0.16CC..EExtended strand (participates in β ladder)trans-70115.5154.9173.768.9000108.1I17 E19 I23 A25 A26 I27 I58 L84 Y89 V91I17-L56 HydrophobicContact CG2-CD1 3.75Å; E19-L56 HydrophobicContact CB-CD1 4.07Å; E19-L56 HydrophobicContact CG-CD1 4.18Å; I23-L56 HydrophobicContact CD1-CB 4.24Å; I23-L56 HydrophobicContact CD1-CD1 4.37Å; I23-L56 HydrophobicContact CD1-CD2 4.32Å; I23-L56 HydrophobicContact CG1-CB 4.18Å; I23-L56 HydrophobicContact CG2-CB 3.61Å; A25-L56 PolarHBondContact O-N 3.39Å; A26-L56 CarbonylContact C-O 3.57Å; A26-L56 VanDerWaalsContact CA-O 3.3Å; A26-L56 WeakPolarHBondContact CA-O 3.4Å; A26-L56 HydrophobicContact CB-CB 4.15Å; A26-L56 HydrophobicContact CB-CD2 4.35Å; I27-L56 PolarHBondContact N-O 3.24Å; L56-I58 HydrophobicContact CD1-CD1 4.37Å; L56-I58 HydrophobicContact CD2-CD1 4.3Å; L56-I58 HydrophobicContact CG-CD1 4.05Å; L56-L84 HydrophobicContact CD2-CD1 4.02Å; L56-Y89 HydrophobicContact CD1-CD1 4.26Å; L56-Y89 HydrophobicContact CD1-CE1 4.28Å; L56-Y89 HydrophobicContact CD2-CD1 3.91Å; L56-Y89 HydrophobicContact CD2-CD2 3.81Å; L56-Y89 HydrophobicContact CD2-CE2 4.46Å; L56-Y89 HydrophobicContact CD2-CG 3.52Å; L56-V91 HydrophobicContact CD2-CG2 4.28Å
57V98.8Very high98.1Very high0 Ų035.9 Ų35.90%019%0.191CC..EExtended strand (participates in β ladder)trans-102.5121.4-175.8-170.90000110.4Y18 I27 L29 A47 L50 V51 F55 V59Y18-V57 PolarHBondContact N-O 3.3Å; Y18-V57 PolarHBondContact O-N 2.9Å; I27-V57 HydrophobicContact CG2-CB 4.01Å; I27-V57 HydrophobicContact CG2-CG1 3.92Å; I27-V57 HydrophobicContact CG2-CG2 3.71Å; I27-V57 WeakPolarHBondContact O-CA 3.42Å; L29-V57 HydrophobicContact CB-CG1 3.84Å; L29-V57 HydrophobicContact CD2-CG1 4.03Å; A47-V57 HydrophobicContact CB-CB 4.31Å; A47-V57 HydrophobicContact CB-CG1 3.77Å; L50-V57 HydrophobicContact CB-CG2 3.63Å; V51-V57 HydrophobicContact CG2-CB 4.45Å; V51-V57 HydrophobicContact CG2-CG2 3.75Å; F55-V57 HydrophobicContact CB-CG2 4.26Å; F55-V57 PolarHBondContact O-N 3.42Å; V57-V59 HydrophobicContact CG1-CG2 3.86Å
58I98.8Very high98.1Very high0 Ų039.7 Ų39.70%021%0.209CC..EExtended strand (participates in β ladder)trans-108.4118.9175.3-52.7-54.1000108.4L15 I17 I27 I28 L29 L56 P60 V80 W83 L84L15-I58 HydrophobicContact CB-CG2 4.37Å; L15-I58 HydrophobicContact CD1-CG2 4.11Å; L15-I58 HydrophobicContact CD2-CG2 3.79Å; L15-I58 HydrophobicContact CG-CG2 4.33Å; I17-I58 HydrophobicContact CB-CD1 4.32Å; I17-I58 HydrophobicContact CG1-CD1 4.03Å; I17-I58 HydrophobicContact CG2-CD1 3.84Å; I27-I58 PolarHBondContact O-N 2.97Å; I28-I58 CarbonylContact C-O 3.46Å; I28-I58 WeakPolarHBondContact CA-O 3.49Å; L29-I58 PolarHBondContact N-O 2.85Å; L56-I58 HydrophobicContact CD1-CD1 4.37Å; L56-I58 HydrophobicContact CD2-CD1 4.3Å; L56-I58 HydrophobicContact CG-CD1 4.05Å; I58-P60 WeakPolarHBondContact O-CD 3.35Å; I58-V80 HydrophobicContact CG2-CG1 3.66Å; I58-W83 HydrophobicContact CD1-CH2 4.36Å; I58-W83 HydrophobicContact CD1-CZ3 4.03Å; I58-W83 HydrophobicContact CG1-CZ3 4.34Å; I58-W83 HydrophobicContact CG2-CZ3 4.22Å; I58-L84 HydrophobicContact CD1-CD1 4.34Å; I58-L84 HydrophobicContact CG1-CD1 4.07Å; I58-L84 HydrophobicContact CG1-CD2 3.96Å
59V98.7Very high98.1Very high0 Ų037.9 Ų37.90%020%0.202CC..EExtended strand (participates in β ladder)trans-116.495.1-177.4-164.60000110L15 D16 Y18 L29 K40 E43 A47 V57L15-V59 CarbonylContact C-O 3.57Å; L15-V59 VanDerWaalsContact CA-O 3.26Å; L15-V59 WeakPolarHBondContact CA-O 3.35Å; D16-V59 HydrophobicContact CB-CB 4.46Å; D16-V59 PolarHBondContact N-O 2.81Å; D16-V59 PolarHBondContact O-N 3.46Å; Y18-V59 HydrophobicContact CD2-CG2 4.04Å; Y18-V59 HydrophobicContact CE2-CG2 3.82Å; L29-V59 HydrophobicContact CB-CG2 4.27Å; L29-V59 HydrophobicContact CD2-CG2 4.3Å; L29-V59 WeakPolarHBondContact O-CG1 3.48Å; K40-V59 HydrophobicContact CB-CB 4.24Å; K40-V59 HydrophobicContact CB-CG1 3.63Å; K40-V59 WeakPolarHBondContact CB-O 3.45Å; K40-V59 WeakPolarHBondContact O-CG1 3.29Å; E43-V59 HydrophobicContact CB-CG1 3.67Å; E43-V59 HydrophobicContact CG-CG1 4.02Å; A47-V59 HydrophobicContact CB-CG2 4Å; V57-V59 HydrophobicContact CG1-CG2 3.86Å
60P98.7Very high98.1Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-88147.5-177.534.7-35.1000113.4Y7 L15 I28 L29 H31 I58 V80Y7-P60 HydrophobicContact CE1-CB 4.19Å; L15-P60 HydrophobicContact CB-CB 4.06Å; I28-P60 HydrophobicContact CG2-CG 4.15Å; L29-P60 WeakPolarHBondContact O-CD 3.29Å; H31-P60 PolarHBondContact CD2-O 3.08Å; I58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-V80 HydrophobicContact CB-CG1 4.35Å; P60-V80 HydrophobicContact CB-CG2 3.55Å; P60-V80 HydrophobicContact CG-CG1 4.29Å; P60-V80 HydrophobicContact CG-CG2 4.03Å
61N98.6Very high98.1Very high35 Ų3537.5 Ų37.519%0.18721%0.206CC..  trans-78145.7152.3-78.1-25.3000109.4Y7 L13 T14 D39 K40Y7-N61 WeakPolarHBondContact CE1-O 3.43Å; Y7-N61 PolarHBondContact OH-O 3.47Å; L13-N61 HydrophobicContact CD2-CB 4.48Å; T14-N61 WeakPolarHBondContact O-CB 3.47Å; T14-N61 PolarHBondContact O-N 2.88Å; D39-N61 VanDerWaalsContact CA-OD1 3.32Å; D39-N61 WeakPolarHBondContact CA-OD1 3.27Å; D39-N61 WeakPolarHBondContact CB-OD1 3.29Å; K40-N61 PolarHBondContact N-OD1 3.29Å
62Y98.7Very high98.2Very high7 Ų736.7 Ų36.73%0.02720%0.202CC..  trans-127.9159.3170.455.2-99000110.5I30 H31 L64 A73 L106I30-Y62 HydrophobicContact CG2-CD1 4.03Å; I30-Y62 HydrophobicContact CG2-CE1 3.66Å; H31-Y62 AromaticContact CD2-CE1 3.64Å; H31-Y62 AromaticContact CE1-CE1 3.38Å; H31-Y62 WeakPolarHBondContact CE1-CE1 3.37Å; H31-Y62 AromaticContact CE1-CE2 4Å; H31-Y62 AromaticContact CE1-CZ 3.33Å; H31-Y62 PolarHBondContact CE1-OH 3.15Å; H31-Y62 AromaticContact CG-CE1 3.92Å; H31-Y62 AromaticContact ND1-CE1 3.77Å; H31-Y62 AromaticContact ND1-CZ 3.76Å; H31-Y62 PolarHBondContact ND1-OH 3.09Å; H31-Y62 AromaticContact NE2-CD1 3.6Å; H31-Y62 AromaticContact NE2-CE1 3.29Å; H31-Y62 VanDerWaalsContact NE2-CE1 3.29Å; H31-Y62 WeakPolarHBondContact NE2-CE1 3.43Å; H31-Y62 AromaticContact NE2-CZ 3.74Å; H31-Y62 WeakPolarHBondContact O-CE1 3.41Å; H31-Y62 PolarHBondContact O-OH 3.5Å; Y62-L64 HydrophobicContact CD2-CD2 3.99Å; Y62-L64 HydrophobicContact CE2-CD2 3.58Å; Y62-A73 HydrophobicContact CD2-CB 3.55Å; Y62-A73 HydrophobicContact CE2-CB 4.1Å; Y62-A73 HydrophobicContact CG-CB 4.21Å; Y62-L106 HydrophobicContact CD1-CD1 4.04Å; Y62-L106 HydrophobicContact CD2-CD1 4.4Å; Y62-L106 HydrophobicContact CE1-CD1 3.76Å; Y62-L106 HydrophobicContact CE2-CD1 4.15Å; Y62-L106 HydrophobicContact CG-CD1 4.36Å
63R98.7Very high98.2Very high34 Ų3428.6 Ų28.613%0.12817%0.166CC..  trans-63.8140.8178-78.4172.7-68.51646.2112.1H11 L13 H68 A72 D76H11-R63 HydrophobicContact CB-CG 4.49Å; H11-R63 VanDerWaalsContact CD2-CD 3.42Å; H11-R63 WeakPolarHBondContact CD2-CD 3.45Å; H11-R63 PolarHBondContact CD2-NE 3.38Å; H11-R63 PolarHBondContact CD2-NH1 2.56Å; H11-R63 VanDerWaalsContact NE2-CZ 3.29Å; H11-R63 PolarHBondContact NE2-NH1 2.89Å; L13-R63 HydrophobicContact CD1-CG 4.11Å; L13-R63 HydrophobicContact CD2-CG 4.31Å; R63-H68 HydrophobicContact CB-CB 3.61Å; R63-H68 HydrophobicContact CG-CB 4.32Å; R63-A72 HydrophobicContact CB-CB 4.19Å; R63-A72 PolarHBondContact NH2-O 3.41Å; R63-A72 VanDerWaalsContact NH2-O 3.09Å; R63-D76 WeakPolarHBondContact CB-OD2 3.4Å; R63-D76 VanDerWaalsContact CG-OD2 3.27Å; R63-D76 WeakPolarHBondContact CG-OD2 3.41Å; R63-D76 IonicContact CZ-OD1 3.67Å; R63-D76 VanDerWaalsContact CZ-OD1 3.3Å; R63-D76 IonicContact CZ-OD2 3.97Å; R63-D76 PolarHBondContact N-OD2 3.48Å; R63-D76 VanDerWaalsContact NE-CG 3.32Å; R63-D76 IonicContact NE-OD1 2.82Å; R63-D76 PolarHBondContact NE-OD1 3.43Å; R63-D76 IonicContact NE-OD2 3.3Å; R63-D76 PolarHBondContact NE-OD2 3.26Å; R63-D76 IonicContact NH2-OD1 2.59Å; R63-D76 PolarHBondContact NH2-OD1 2.95Å; R63-D76 IonicContact NH2-OD2 2.7Å
64L98Very high98.2Very high47 Ų4725.8 Ų25.825%0.24615%0.154CC..  trans-109.4143.2-173.1-60.3173.8000113.1W35 Y62 A67 H68W35-L64 CarbonylContact O-C 3.59Å; W35-L64 VanDerWaalsContact O-CA 3.24Å; W35-L64 WeakPolarHBondContact O-CA 3.42Å; W35-L64 WeakPolarHBondContact O-CB 3.44Å; W35-L64 WeakPolarHBondContact O-CD2 3.4Å; Y62-L64 HydrophobicContact CD2-CD2 3.99Å; Y62-L64 HydrophobicContact CE2-CD2 3.58Å; L64-A67 PolarHBondContact O-N 2.91Å; L64-H68 CarbonylContact C-O 3.55Å; L64-H68 PolarHBondContact O-N 2.86Å
65A97.5Very high98.3Very high4 Ų428.4 Ų28.43%0.03317%0.165CC..THydrogen-bonded Turntrans-73.1151.6168.700000111W35 F36 H68 I69W35-A65 PolarHBondContact O-N 2.95Å; F36-A65 WeakPolarHBondContact CA-O 3.37Å; F36-A65 VanDerWaalsContact CB-O 3.3Å; F36-A65 WeakPolarHBondContact CB-O 3.39Å; A65-H68 WeakPolarHBondContact CA-O 3.49Å; A65-H68 PolarHBondContact N-O 3.16Å; A65-I69 HydrophobicContact CB-CG2 4.48Å
66P95.4Very high98.3Very high85 Ų8528.2 Ų28.255%0.55216%0.164SC*.THydrogen-bonded Turncis-85.3-6.13.334.6-36000114.2H68P66-H68 PolarHBondContact O-N 3.16Å
67A97.3Very high98.3Very high82 Ų8228.3 Ų28.368%0.67816%0.164SC*.THydrogen-bonded Turntrans-61.2-36.2179.700000111.9L64L64-A67 PolarHBondContact O-N 2.91Å
68H98.2Very high98.3Very high81 Ų8129.4 Ų29.438%0.37517%0.17SC..SBendtrans-134.898.8176.6-55.1-72.5000109.6R63 L64 A65 P66 A72R63-H68 HydrophobicContact CB-CB 3.61Å; R63-H68 HydrophobicContact CG-CB 4.32Å; L64-H68 CarbonylContact C-O 3.55Å; L64-H68 PolarHBondContact O-N 2.86Å; A65-H68 WeakPolarHBondContact CA-O 3.49Å; A65-H68 PolarHBondContact N-O 3.16Å; P66-H68 PolarHBondContact O-N 3.16Å; H68-A72 HydrophobicContact CB-CB 3.72Å
69I98.3Very high98.3Very high51 Ų5133 Ų3326%0.26219%0.186SC..  trans-78.3172.8178.161.4172.6000112.2A65 A72 Y172 N174 L179A65-I69 HydrophobicContact CB-CG2 4.48Å; I69-A72 WeakPolarHBondContact O-CB 3.42Å; I69-A72 PolarHBondContact O-N 2.87Å; I69-Y172 WeakPolarHBondContact CA-O 3.48Å; I69-Y172 VanDerWaalsContact CB-O 3.32Å; I69-Y172 WeakPolarHBondContact CB-O 3.26Å; I69-N174 HydrophobicContact CD1-CB 3.98Å; I69-N174 HydrophobicContact CG2-CB 3.97Å; I69-L179 HydrophobicContact CD1-CD1 4.15Å
70F98.6Very high98.3Very high28 Ų2833 Ų3312%0.12319%0.186CC..THydrogen-bonded Turntrans-44134.1169.6174-93.5000111.4Y172 V173 Q182 A183F70-Y172 HydrophobicContact CB-CD1 4.28Å; F70-Y172 HydrophobicContact CB-CD2 4.45Å; F70-Y172 HydrophobicContact CB-CE1 3.93Å; F70-Y172 HydrophobicContact CB-CE2 4.1Å; F70-Y172 AromaticContact CD2-CE1 3.86Å; F70-Y172 HydrophobicContact CD2-CE1 3.86Å; F70-Y172 AromaticContact CD2-CZ 3.87Å; F70-Y172 HydrophobicContact CG-CE1 4.31Å; F70-Y172 PolarHBondContact N-O 2.82Å; F70-V173 HydrophobicContact CB-CG1 3.97Å; F70-Q182 HydrophobicContact CE1-CB 3.82Å; F70-Q182 HydrophobicContact CZ-CB 4.24Å; F70-A183 HydrophobicContact CB-CB 4.43Å; F70-A183 HydrophobicContact CD1-CB 4.19Å; F70-A183 HydrophobicContact CD2-CB 3.69Å; F70-A183 HydrophobicContact CE1-CB 4.41Å; F70-A183 HydrophobicContact CE2-CB 3.95Å; F70-A183 HydrophobicContact CG-CB 3.82Å; F70-A183 HydrophobicContact CZ-CB 4.31Å
71P98.2Very high98.3Very high56 Ų5634.8 Ų34.836%0.36419%0.193SC..THydrogen-bonded Turncis-94.614.37.737.1-35.9000115.8A73 M74 D75P71-A73 PolarHBondContact O-N 2.91Å; P71-A73 VanDerWaalsContact O-N 3.14Å; P71-M74 WeakPolarHBondContact O-CA 3.32Å; P71-M74 PolarHBondContact O-N 2.86Å; P71-D75 PolarHBondContact O-N 2.87Å
72A98.6Very high98.3Very high8 Ų837 Ų377%0.06621%0.205CC..Hα-helixtrans-51.2-46.8-166.600000115.1R63 H68 I69 M74 D75 D76R63-A72 HydrophobicContact CB-CB 4.19Å; R63-A72 PolarHBondContact NH2-O 3.41Å; R63-A72 VanDerWaalsContact NH2-O 3.09Å; H68-A72 HydrophobicContact CB-CB 3.72Å; I69-A72 WeakPolarHBondContact O-CB 3.42Å; I69-A72 PolarHBondContact O-N 2.87Å; A72-M74 VanDerWaalsContact C-N 3.32Å; A72-M74 PolarHBondContact O-N 3.27Å; A72-D75 PolarHBondContact O-N 3.37Å; A72-D76 PolarHBondContact O-N 2.97Å; A72-D76 VanDerWaalsContact O-N 3.08Å
73A98.6Very high98.2Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-62-39.4178.400000112.6Y62 P71 D76 V77 L106 Y172Y62-A73 HydrophobicContact CD2-CB 3.55Å; Y62-A73 HydrophobicContact CE2-CB 4.1Å; Y62-A73 HydrophobicContact CG-CB 4.21Å; P71-A73 PolarHBondContact O-N 2.91Å; P71-A73 VanDerWaalsContact O-N 3.14Å; A73-D76 PolarHBondContact O-N 3.04Å; A73-V77 WeakPolarHBondContact O-CG2 3.5Å; A73-V77 PolarHBondContact O-N 2.71Å; A73-V77 VanDerWaalsContact O-N 3.16Å; A73-L106 HydrophobicContact CB-CD1 4.34Å; A73-L106 HydrophobicContact CB-CD2 4.33Å; A73-Y172 HydrophobicContact CB-CE2 4.29Å
74M98.4Very high98.2Very high7 Ų738 Ų383%0.03421%0.209CC..Hα-helixtrans-72.8-40.4178.5-169.261.7-144.200111.6P71 A72 D76 V77 L78 L106 E109 L110P71-M74 WeakPolarHBondContact O-CA 3.32Å; P71-M74 PolarHBondContact O-N 2.86Å; A72-M74 VanDerWaalsContact C-N 3.32Å; A72-M74 PolarHBondContact O-N 3.27Å; M74-D76 PolarHBondContact O-N 3.25Å; M74-V77 HydrophobicContact CE-CB 4.39Å; M74-V77 HydrophobicContact CE-CG1 4.14Å; M74-V77 PolarHBondContact O-N 2.65Å; M74-V77 VanDerWaalsContact O-N 3.16Å; M74-V77 HydrophobicContact SD-CB 4.5Å; M74-L78 HydrophobicContact CE-CD1 4.49Å; M74-L78 HydrophobicContact CE-CD2 3.57Å; M74-L78 HydrophobicContact CE-CG 3.69Å; M74-L78 HydrophobicContact CG-CG 4.45Å; M74-L78 WeakPolarHBondContact O-CG 3.23Å; M74-L78 PolarHBondContact O-N 3.16Å; M74-L106 HydrophobicContact CB-CD2 4.07Å; M74-L106 HydrophobicContact SD-CD2 3.71Å; M74-E109 HydrophobicContact CE-CB 3.93Å; M74-E109 HydrophobicContact CG-CB 4.48Å; M74-E109 HydrophobicContact SD-CB 3.41Å; M74-E109 WeakPolarHBondContact SD-CB 3.29Å; M74-E109 HydrophobicContact SD-CG 4.17Å; M74-L110 HydrophobicContact CE-CB 4.06Å; M74-L110 HydrophobicContact CE-CD1 3.98Å
75D98.6Very high98.1Very high68 Ų6839.9 Ų39.936%0.36422%0.222SC..Hα-helixtrans-56.4-40.2174.3-67.9-18.3000111.3P71 A72 L78 K79P71-D75 PolarHBondContact O-N 2.87Å; A72-D75 PolarHBondContact O-N 3.37Å; D75-L78 PolarHBondContact O-N 3.19Å; D75-K79 WeakPolarHBondContact O-CG 3.07Å; D75-K79 PolarHBondContact O-N 2.69Å
76D98.9Very high98.1Very high0 Ų043 Ų430%025%0.254CS..Hα-helixtrans-67-43.2177.8-67.5-22000111.8L13 R63 A72 A73 M74 K79 V80L13-D76 HydrophobicContact CD1-CB 3.97Å; L13-D76 WeakPolarHBondContact CD1-OD1 3.42Å; L13-D76 WeakPolarHBondContact CD1-OD2 3.29Å; R63-D76 WeakPolarHBondContact CB-OD2 3.4Å; R63-D76 VanDerWaalsContact CG-OD2 3.27Å; R63-D76 WeakPolarHBondContact CG-OD2 3.41Å; R63-D76 IonicContact CZ-OD1 3.67Å; R63-D76 VanDerWaalsContact CZ-OD1 3.3Å; R63-D76 IonicContact CZ-OD2 3.97Å; R63-D76 PolarHBondContact N-OD2 3.48Å; R63-D76 VanDerWaalsContact NE-CG 3.32Å; R63-D76 IonicContact NE-OD1 2.82Å; R63-D76 PolarHBondContact NE-OD1 3.43Å; R63-D76 IonicContact NE-OD2 3.3Å; R63-D76 PolarHBondContact NE-OD2 3.26Å; R63-D76 IonicContact NH2-OD1 2.59Å; R63-D76 PolarHBondContact NH2-OD1 2.95Å; R63-D76 IonicContact NH2-OD2 2.7Å; A72-D76 PolarHBondContact O-N 2.97Å; A72-D76 VanDerWaalsContact O-N 3.08Å; A73-D76 PolarHBondContact O-N 3.04Å; M74-D76 PolarHBondContact O-N 3.25Å; D76-K79 WeakPolarHBondContact O-CB 3.4Å; D76-K79 PolarHBondContact O-N 3.42Å; D76-V80 WeakPolarHBondContact O-CG2 3.5Å; D76-V80 PolarHBondContact O-N 2.81Å; D76-V80 VanDerWaalsContact O-N 3.1Å
77V98.8Very high98.1Very high1 Ų140.5 Ų40.51%0.00624%0.239CC..Hα-helixtrans-64.7-38.4175.1171.30000111.8I30 A73 M74 V80 Y81 L106 L110I30-V77 HydrophobicContact CD1-CG1 3.74Å; I30-V77 HydrophobicContact CD1-CG2 4.23Å; I30-V77 HydrophobicContact CG2-CG2 4.31Å; A73-V77 WeakPolarHBondContact O-CG2 3.5Å; A73-V77 PolarHBondContact O-N 2.71Å; A73-V77 VanDerWaalsContact O-N 3.16Å; M74-V77 HydrophobicContact CE-CB 4.39Å; M74-V77 HydrophobicContact CE-CG1 4.14Å; M74-V77 PolarHBondContact O-N 2.65Å; M74-V77 VanDerWaalsContact O-N 3.16Å; M74-V77 HydrophobicContact SD-CB 4.5Å; V77-V80 WeakPolarHBondContact O-CB 3.19Å; V77-V80 PolarHBondContact O-N 2.77Å; V77-Y81 PolarHBondContact O-N 3.1Å; V77-L106 HydrophobicContact CG2-CB 4.38Å; V77-L106 HydrophobicContact CG2-CD1 4.14Å; V77-L110 HydrophobicContact CG1-CD1 4.39Å; V77-L110 HydrophobicContact CG1-CD2 3.98Å
78L98.7Very high98Very high23 Ų2342.5 Ų42.512%0.1225%0.248CC..Hα-helixtrans-62.7-41.6173.7-69.6176.5000111.5M74 D75 V80 Y81 D82 L110 R114M74-L78 HydrophobicContact CE-CD1 4.49Å; M74-L78 HydrophobicContact CE-CD2 3.57Å; M74-L78 HydrophobicContact CE-CG 3.69Å; M74-L78 HydrophobicContact CG-CG 4.45Å; M74-L78 WeakPolarHBondContact O-CG 3.23Å; M74-L78 PolarHBondContact O-N 3.16Å; D75-L78 PolarHBondContact O-N 3.19Å; L78-V80 VanDerWaalsContact C-N 3.3Å; L78-V80 PolarHBondContact O-N 3.32Å; L78-Y81 WeakPolarHBondContact O-CB 3.37Å; L78-Y81 PolarHBondContact O-N 3.22Å; L78-D82 VanDerWaalsContact O-CG 3.29Å; L78-D82 PolarHBondContact O-N 2.94Å; L78-L110 HydrophobicContact CD2-CD1 3.67Å; L78-R114 HydrophobicContact CD2-CG 4.42Å
79K98.5Very high97.9Very high76 Ų7640.9 Ų40.933%0.3324%0.239SC..Hα-helixtrans-59.8-39.1174.3-77.6176.3176177.40112.2Y7 N8 E10 D75 D76 D82 W83Y7-K79 HydrophobicContact CD2-CB 4.47Å; Y7-K79 HydrophobicContact CE2-CB 4.33Å; N8-K79 PolarHBondContact ND2-NZ 2.8Å; N8-K79 VanDerWaalsContact ND2-NZ 3.15Å; E10-K79 IonicContact OE2-NZ 2.74Å; D75-K79 WeakPolarHBondContact O-CG 3.07Å; D75-K79 PolarHBondContact O-N 2.69Å; D76-K79 WeakPolarHBondContact O-CB 3.4Å; D76-K79 PolarHBondContact O-N 3.42Å; K79-D82 PolarHBondContact O-N 2.87Å; K79-W83 VanDerWaalsContact O-CB 3.29Å; K79-W83 WeakPolarHBondContact O-CB 3.25Å; K79-W83 PolarHBondContact O-N 3.39Å
80V98.7Very high97.8Very high0 Ų043 Ų430%026%0.255CS..Hα-helixtrans-64-43.7175.3176.20000111Y7 L15 I28 I58 P60 D76 V77 L78 W83 L84Y7-V80 HydrophobicContact CD1-CG2 4.34Å; Y7-V80 HydrophobicContact CD2-CG2 3.67Å; Y7-V80 HydrophobicContact CE1-CG2 4.09Å; Y7-V80 HydrophobicContact CE2-CG2 3.41Å; Y7-V80 VanDerWaalsContact CE2-CG2 3.41Å; Y7-V80 HydrophobicContact CG-CG2 4.14Å; L15-V80 HydrophobicContact CD2-CG1 4.15Å; L15-V80 HydrophobicContact CD2-CG2 4.34Å; I28-V80 HydrophobicContact CD1-CG1 4.22Å; I28-V80 HydrophobicContact CG1-CG1 4.33Å; I28-V80 HydrophobicContact CG2-CG1 4.1Å; I58-V80 HydrophobicContact CG2-CG1 3.66Å; P60-V80 HydrophobicContact CB-CG1 4.35Å; P60-V80 HydrophobicContact CB-CG2 3.55Å; P60-V80 HydrophobicContact CG-CG1 4.29Å; P60-V80 HydrophobicContact CG-CG2 4.03Å; D76-V80 WeakPolarHBondContact O-CG2 3.5Å; D76-V80 PolarHBondContact O-N 2.81Å; D76-V80 VanDerWaalsContact O-N 3.1Å; V77-V80 WeakPolarHBondContact O-CB 3.19Å; V77-V80 PolarHBondContact O-N 2.77Å; L78-V80 VanDerWaalsContact C-N 3.3Å; L78-V80 PolarHBondContact O-N 3.32Å; V80-W83 PolarHBondContact O-N 3.11Å; V80-L84 WeakPolarHBondContact O-CB 3.37Å; V80-L84 PolarHBondContact O-N 3.04Å
81Y98.7Very high97.6Very high38 Ų3843.5 Ų43.515%0.14926%0.261CS..Hα-helixtrans-60.8-50.2175.7174.3-90.6000111.7I28 V77 L78 W83 L84 V85 I95 L110 R114 I116I28-Y81 HydrophobicContact CD1-CD2 4.18Å; V77-Y81 PolarHBondContact O-N 3.1Å; L78-Y81 WeakPolarHBondContact O-CB 3.37Å; L78-Y81 PolarHBondContact O-N 3.22Å; Y81-W83 VanDerWaalsContact C-N 3.32Å; Y81-W83 PolarHBondContact O-N 3.26Å; Y81-L84 PolarHBondContact O-N 3.08Å; Y81-L84 VanDerWaalsContact O-N 3.15Å; Y81-V85 HydrophobicContact CD1-CG2 4.12Å; Y81-V85 HydrophobicContact CE1-CG2 3.63Å; Y81-V85 HydrophobicContact CE2-CG2 4.11Å; Y81-V85 WeakPolarHBondContact O-CG2 3.37Å; Y81-V85 PolarHBondContact O-N 2.98Å; Y81-I95 HydrophobicContact CD2-CB 4.5Å; Y81-I95 HydrophobicContact CD2-CD1 4.3Å; Y81-I95 HydrophobicContact CD2-CG2 3.89Å; Y81-I95 HydrophobicContact CE2-CB 4.13Å; Y81-I95 HydrophobicContact CE2-CD1 4.03Å; Y81-I95 HydrophobicContact CE2-CG2 4Å; Y81-L110 HydrophobicContact CD2-CD1 4.35Å; Y81-L110 HydrophobicContact CD2-CD2 4.31Å; Y81-L110 HydrophobicContact CG-CD1 4.12Å; Y81-R114 HydrophobicContact CD1-CG 3.8Å; Y81-R114 HydrophobicContact CD2-CG 4.47Å; Y81-R114 HydrophobicContact CE1-CB 4.09Å; Y81-R114 VanDerWaalsContact CE1-CD 3.4Å; Y81-R114 HydrophobicContact CE1-CG 3.65Å; Y81-R114 HydrophobicContact CE2-CB 4.16Å; Y81-R114 HydrophobicContact CE2-CG 4.35Å; Y81-R114 HydrophobicContact CG-CG 4.21Å; Y81-I116 HydrophobicContact CD2-CD1 4.22Å; Y81-I116 HydrophobicContact CE2-CD1 4.19Å; Y81-I116 HydrophobicContact CE2-CG2 3.71Å
82D98Very high97.3Very high82 Ų8247.2 Ų47.244%0.43927%0.271SS..Hα-helixtrans-63.6-38.5-178.7-64.1-21.9000111.2L78 K79 G86 R114L78-D82 VanDerWaalsContact O-CG 3.29Å; L78-D82 PolarHBondContact O-N 2.94Å; K79-D82 PolarHBondContact O-N 2.87Å; D82-G86 PolarHBondContact O-N 3Å; D82-G86 VanDerWaalsContact O-N 3.16Å; D82-R114 IonicContact OD1-NE 2.68Å; D82-R114 IonicContact OD1-NH2 3.47Å; D82-R114 PolarHBondContact OD1-NH2 3.04Å; D82-R114 IonicContact OD2-NH2 3.74Å
83W97.4Very high97.1Very high56 Ų5648.2 Ų48.221%0.21228%0.283CS..Hα-helixtrans-61-45.4172.2168.985.7000112.2Y5 L15 I17 I58 K79 V80 Y81 G86 S87 Y89Y5-W83 HydrophobicContact CD1-CZ2 4.05Å; Y5-W83 AromaticContact CE1-CE2 3.53Å; Y5-W83 AromaticContact CE1-CZ2 3.58Å; Y5-W83 HydrophobicContact CE1-CZ2 3.58Å; Y5-W83 AromaticContact CE1-NE1 3.33Å; Y5-W83 VanDerWaalsContact CE1-NE1 3.33Å; Y5-W83 AromaticContact CZ-CE2 3.91Å; Y5-W83 AromaticContact CZ-CZ2 3.84Å; Y5-W83 AromaticContact CZ-NE1 3.52Å; Y5-W83 PolarHBondContact OH-NE1 3.49Å; L15-W83 HydrophobicContact CD1-CH2 4.22Å; L15-W83 HydrophobicContact CD1-CZ3 4.38Å; L15-W83 HydrophobicContact CD2-CE3 4.08Å; L15-W83 HydrophobicContact CD2-CH2 4.5Å; L15-W83 HydrophobicContact CD2-CZ3 4.03Å; I17-W83 HydrophobicContact CD1-CH2 3.72Å; I17-W83 HydrophobicContact CD1-CZ2 4.25Å; I17-W83 HydrophobicContact CG1-CH2 4.41Å; I58-W83 HydrophobicContact CD1-CH2 4.36Å; I58-W83 HydrophobicContact CD1-CZ3 4.03Å; I58-W83 HydrophobicContact CG1-CZ3 4.34Å; I58-W83 HydrophobicContact CG2-CZ3 4.22Å; K79-W83 VanDerWaalsContact O-CB 3.29Å; K79-W83 WeakPolarHBondContact O-CB 3.25Å; K79-W83 PolarHBondContact O-N 3.39Å; V80-W83 PolarHBondContact O-N 3.11Å; Y81-W83 VanDerWaalsContact C-N 3.32Å; Y81-W83 PolarHBondContact O-N 3.26Å; W83-G86 CarbonylContact O-C 3.55Å; W83-G86 PolarHBondContact O-N 2.86Å; W83-S87 PolarHBondContact O-N 2.86Å; W83-S87 VanDerWaalsContact O-N 3.08Å; W83-Y89 HydrophobicContact CH2-CE2 4.09Å
84L97.9Very high97Very high5 Ų553.3 Ų53.33%0.02631%0.305CS..Hα-helixtrans-67.6-39.3-178.7-178.160.4000111.7A26 I28 L56 I58 V80 Y81 G86 S87 Y89 I95A26-L84 HydrophobicContact CB-CD2 3.86Å; I28-L84 HydrophobicContact CD1-CD2 4.31Å; I28-L84 HydrophobicContact CG1-CD2 4.05Å; L56-L84 HydrophobicContact CD2-CD1 4.02Å; I58-L84 HydrophobicContact CD1-CD1 4.34Å; I58-L84 HydrophobicContact CG1-CD1 4.07Å; I58-L84 HydrophobicContact CG1-CD2 3.96Å; V80-L84 WeakPolarHBondContact O-CB 3.37Å; V80-L84 PolarHBondContact O-N 3.04Å; Y81-L84 PolarHBondContact O-N 3.08Å; Y81-L84 VanDerWaalsContact O-N 3.15Å; L84-G86 VanDerWaalsContact C-N 3.26Å; L84-G86 PolarHBondContact O-N 2.94Å; L84-S87 WeakPolarHBondContact O-CB 3.27Å; L84-S87 PolarHBondContact O-N 3.14Å; L84-S87 VanDerWaalsContact O-N 3.16Å; L84-S87 PolarHBondContact O-OG 3.41Å; L84-Y89 HydrophobicContact CD1-CD2 4.44Å; L84-I95 HydrophobicContact CB-CD1 4.14Å; L84-I95 HydrophobicContact CD2-CB 4.45Å; L84-I95 HydrophobicContact CD2-CD1 3.87Å; L84-I95 HydrophobicContact CD2-CG1 3.82Å; L84-I95 HydrophobicContact CD2-CG2 3.81Å; L84-I95 HydrophobicContact CG-CD1 3.76Å; L84-I95 HydrophobicContact CG-CG1 4.11Å
85V97.4Very high97Very high87 Ų8753.9 Ų53.953%0.52731%0.308SS..Hα-helixtrans-58.8-39.3173.1169.50000111.3Y81 S87 I95Y81-V85 HydrophobicContact CD1-CG2 4.12Å; Y81-V85 HydrophobicContact CE1-CG2 3.63Å; Y81-V85 HydrophobicContact CE2-CG2 4.11Å; Y81-V85 WeakPolarHBondContact O-CG2 3.37Å; Y81-V85 PolarHBondContact O-N 2.98Å; V85-S87 VanDerWaalsContact C-N 3.33Å; V85-I95 HydrophobicContact CB-CD1 4.39Å; V85-I95 HydrophobicContact CG2-CD1 3.46Å; V85-I95 VanDerWaalsContact CG2-CD1 3.46Å
86G96.3Very high97Very high69 Ų6950.6 Ų50.671%0.71129%0.29SS*.THydrogen-bonded Turntrans-83.8-1.2178.300000115.2D82 W83 L84D82-G86 PolarHBondContact O-N 3Å; D82-G86 VanDerWaalsContact O-N 3.16Å; W83-G86 CarbonylContact O-C 3.55Å; W83-G86 PolarHBondContact O-N 2.86Å; L84-G86 VanDerWaalsContact C-N 3.26Å; L84-G86 PolarHBondContact O-N 2.94Å
87S95.2Very high97Very high33 Ų3350.6 Ų50.623%0.23129%0.29CS..SBendtrans-77.5163.7-175.476.80000112.7W83 L84 V85 Y89W83-S87 PolarHBondContact O-N 2.86Å; W83-S87 VanDerWaalsContact O-N 3.08Å; L84-S87 WeakPolarHBondContact O-CB 3.27Å; L84-S87 PolarHBondContact O-N 3.14Å; L84-S87 VanDerWaalsContact O-N 3.16Å; L84-S87 PolarHBondContact O-OG 3.41Å; V85-S87 VanDerWaalsContact C-N 3.33Å; S87-Y89 VanDerWaalsContact C-N 3.3Å; S87-Y89 WeakPolarHBondContact OG-CD2 3.26Å
88S95.9Very high97Very high123 Ų12350.7 Ų50.786%0.8629%0.29SS*.  trans-89.39.7176.362.50000113.7
89Y96.3Very high97Very high47 Ų4749.7 Ų49.718%0.18429%0.286CS..  trans-67.8130.7179.3-73.8-71.4000110.1I17 I23 L56 W83 L84 S87 V91I17-Y89 HydrophobicContact CD1-CE2 4.47Å; I17-Y89 WeakPolarHBondContact CD1-OH 3.41Å; I23-Y89 HydrophobicContact CD1-CD1 4.08Å; L56-Y89 HydrophobicContact CD1-CD1 4.26Å; L56-Y89 HydrophobicContact CD1-CE1 4.28Å; L56-Y89 HydrophobicContact CD2-CD1 3.91Å; L56-Y89 HydrophobicContact CD2-CD2 3.81Å; L56-Y89 HydrophobicContact CD2-CE2 4.46Å; L56-Y89 HydrophobicContact CD2-CG 3.52Å; W83-Y89 HydrophobicContact CH2-CE2 4.09Å; L84-Y89 HydrophobicContact CD1-CD2 4.44Å; S87-Y89 VanDerWaalsContact C-N 3.3Å; S87-Y89 WeakPolarHBondContact OG-CD2 3.26Å; Y89-V91 PolarHBondContact O-N 3.35Å
90P95.3Very high96.9Very high95 Ų9546.4 Ų46.462%0.61727%0.272SS*.  trans-78.660.2-177.233.8-38.2000112I23 K92I23-P90 HydrophobicContact CD1-CG 4.29Å; P90-K92 PolarHBondContact O-N 3.49Å
91V94.7Very high96.8Very high39 Ų3946.9 Ų46.924%0.23628%0.276CS..  trans-67.7115.2177.7-173.10000109.2I23 A26 L56 Y89I23-V91 HydrophobicContact CG2-CB 4.28Å; I23-V91 HydrophobicContact CG2-CG1 4.35Å; I23-V91 HydrophobicContact CG2-CG2 4Å; A26-V91 HydrophobicContact CB-CG1 4.05Å; A26-V91 HydrophobicContact CB-CG2 3.96Å; L56-V91 HydrophobicContact CD2-CG2 4.28Å; Y89-V91 PolarHBondContact O-N 3.35Å
92K92.4Very high96.8Very high135 Ų13545.1 Ų45.159%0.58727%0.269SS*.SBendtrans-73.8-43.9-177.6-65.1175.3-173173.10113.4I23 E24 P90I23-K92 WeakPolarHBondContact O-CG 3.3Å; I23-K92 PolarHBondContact O-N 2.94Å; E24-K92 IonicContact OE1-NZ 3.73Å; E24-K92 PolarHBondContact OE1-NZ 3.13Å; E24-K92 IonicContact OE2-NZ 3.7Å; P90-K92 PolarHBondContact O-N 3.49Å
93G94.4Very high96.8Very high29 Ų2941.2 Ų41.230%0.29925%0.248SC..SBendtrans-97.3-144.7178.200000112.2E24 V255E24-G93 WeakPolarHBondContact O-CA 3.36Å; E24-G93 PolarHBondContact O-N 2.94Å; G93-V255 WeakPolarHBondContact CA-OXT 3.44Å
94K96.5Very high96.8Very high106 Ų10638.5 Ų38.546%0.46124%0.238SC..  trans-91.4163.8-179.9-66.1169.1-157.91620114.4A25 A26 P117 N254 V255A25-K94 WeakPolarHBondContact CB-O 3.43Å; A26-K94 PolarHBondContact N-O 3.48Å; A26-K94 VanDerWaalsContact N-O 3.11Å; K94-P117 HydrophobicContact CD-CG 4.35Å; K94-N254 WeakPolarHBondContact CD-O 3.44Å; K94-N254 PolarHBondContact NZ-O 3Å; K94-V255 HydrophobicContact CB-CB 4.49Å; K94-V255 HydrophobicContact CB-CG1 4.44Å; K94-V255 WeakPolarHBondContact CG-OXT 3.25Å; K94-V255 PolarHBondContact N-OXT 3.34Å
95I98.6Very high96.9Very high19 Ų1938.4 Ų38.410%0.09724%0.237CC..EExtended strand (participates in β ladder)trans-75.5137.5157.8-60.7168.3000108A26 I28 Y81 L84 V85 I116A26-I95 HydrophobicContact CB-CG1 4.29Å; A26-I95 CarbonylContact O-C 3.53Å; I28-I95 HydrophobicContact CD1-CG2 3.92Å; I28-I95 HydrophobicContact CG1-CG2 4.18Å; Y81-I95 HydrophobicContact CD2-CB 4.5Å; Y81-I95 HydrophobicContact CD2-CD1 4.3Å; Y81-I95 HydrophobicContact CD2-CG2 3.89Å; Y81-I95 HydrophobicContact CE2-CB 4.13Å; Y81-I95 HydrophobicContact CE2-CD1 4.03Å; Y81-I95 HydrophobicContact CE2-CG2 4Å; L84-I95 HydrophobicContact CB-CD1 4.14Å; L84-I95 HydrophobicContact CD2-CB 4.45Å; L84-I95 HydrophobicContact CD2-CD1 3.87Å; L84-I95 HydrophobicContact CD2-CG1 3.82Å; L84-I95 HydrophobicContact CD2-CG2 3.81Å; L84-I95 HydrophobicContact CG-CD1 3.76Å; L84-I95 HydrophobicContact CG-CG1 4.11Å; V85-I95 HydrophobicContact CB-CD1 4.39Å; V85-I95 HydrophobicContact CG2-CD1 3.46Å; V85-I95 VanDerWaalsContact CG2-CD1 3.46Å; I95-I116 HydrophobicContact CG2-CD1 4.33Å; I95-I116 WeakPolarHBondContact O-CB 3.39Å; I95-I116 WeakPolarHBondContact O-CG2 3.45Å
96T98.9Very high96.9Very high0 Ų034.2 Ų34.20%021%0.212CC..EExtended strand (participates in β ladder)trans-126.7169.5176.863.10000110.4A26 I27 I28 P117 L251 V255A26-T96 PolarHBondContact O-N 2.88Å; A26-T96 PolarHBondContact O-OG1 3.18Å; I27-T96 WeakPolarHBondContact CA-O 3.16Å; I27-T96 WeakPolarHBondContact CA-OG1 3.24Å; I27-T96 WeakPolarHBondContact CB-OG1 3.28Å; I27-T96 WeakPolarHBondContact CG1-OG1 3.11Å; I28-T96 PolarHBondContact N-O 3.37Å; T96-P117 CarbonylContact C-O 3.51Å; T96-P117 VanDerWaalsContact CA-O 3.23Å; T96-P117 WeakPolarHBondContact CA-O 3.31Å; T96-P117 WeakPolarHBondContact CB-O 3.47Å; T96-P117 HydrophobicContact CG2-CB 3.97Å; T96-P117 HydrophobicContact CG2-CG 4.08Å; T96-L251 HydrophobicContact CG2-CD2 4.22Å; T96-V255 HydrophobicContact CG2-CG1 3.35Å
97A98.9Very high97Very high0 Ų031 Ų310%018%0.178CC..EExtended strand (participates in β ladder)trans-126.8145.4172.500000111.9I28 A107 L110 I116 P117 A118 A119I28-A97 WeakPolarHBondContact O-CA 3.23Å; A97-A107 HydrophobicContact CB-CB 3.84Å; A97-L110 HydrophobicContact CB-CD2 4.15Å; A97-I116 HydrophobicContact CB-CD1 4.2Å; A97-P117 PolarHBondContact N-O 3.03Å; A97-A118 HydrophobicContact CB-CB 4.07Å; A97-A118 CarbonylContact O-C 3.59Å; A97-A118 WeakPolarHBondContact O-CA 3.45Å; A97-A119 PolarHBondContact O-N 2.86Å
98L98.9Very high97.2Very high2 Ų229.4 Ų29.41%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-139.8141.8168.4169.666.1000109I27 I28 L29 I30 L46 L50 A119 W121I27-L98 HydrophobicContact CD1-CB 3.54Å; I27-L98 HydrophobicContact CD1-CD2 4.1Å; I27-L98 HydrophobicContact CD1-CG 4.49Å; I27-L98 HydrophobicContact CG1-CB 4.06Å; I28-L98 PolarHBondContact O-N 2.79Å; L29-L98 CarbonylContact C-O 3.53Å; L29-L98 WeakPolarHBondContact CA-O 3.46Å; L29-L98 HydrophobicContact CD1-CB 4.21Å; L29-L98 HydrophobicContact CD1-CD2 4.02Å; L29-L98 HydrophobicContact CD1-CG 3.92Å; I30-L98 PolarHBondContact N-O 3.22Å; L46-L98 HydrophobicContact CD2-CD2 4.29Å; L50-L98 HydrophobicContact CD1-CD2 3.96Å; L50-L98 HydrophobicContact CD2-CD2 4.34Å; L98-A119 WeakPolarHBondContact CA-O 3.39Å; L98-A119 HydrophobicContact CD1-CB 3.62Å; L98-A119 WeakPolarHBondContact CD1-O 3.42Å; L98-W121 HydrophobicContact CD1-CD2 4.17Å; L98-W121 HydrophobicContact CD1-CH2 4.39Å; L98-W121 HydrophobicContact CD1-CZ2 3.94Å; L98-W121 HydrophobicContact CD2-CH2 4.12Å; L98-W121 HydrophobicContact CD2-CZ2 4.2Å
99G98.5Very high97.3Very high2 Ų223.8 Ų23.82%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-164.5168.8170.800000112.6I30 G104 A119 W121I30-G99 VanDerWaalsContact O-CA 3.29Å; I30-G99 WeakPolarHBondContact O-CA 3.35Å; G99-G104 VanDerWaalsContact C-CA 3.45Å; G99-G104 VanDerWaalsContact C-N 3.29Å; G99-G104 VanDerWaalsContact O-CA 3.3Å; G99-G104 WeakPolarHBondContact O-CA 3.46Å; G99-A119 PolarHBondContact N-O 2.96Å; G99-W121 PolarHBondContact O-N 3.32Å
100S96.7Very high97.5Very high7 Ų721.5 Ų21.55%0.04912%0.119CC..EExtended strand (participates in β ladder)trans-120.9145177.1-173.20000112.3G32 A102 G103 G104 W121 G236G32-S100 WeakPolarHBondContact CA-O 3.15Å; S100-A102 PolarHBondContact O-N 3.42Å; S100-G103 WeakPolarHBondContact O-CA 2.97Å; S100-G103 PolarHBondContact O-N 2.82Å; S100-G104 VanDerWaalsContact C-N 3.3Å; S100-G104 PolarHBondContact O-N 3.36Å; S100-W121 CarbonylContact C-O 3.58Å; S100-W121 WeakPolarHBondContact CA-O 3.48Å; S100-W121 PolarHBondContact OG-O 3.17Å; S100-G236 WeakPolarHBondContact OG-CA 3.29Å
101S96.3Very high97.6Very high11 Ų1117 Ų178%0.0779%0.089CC..THydrogen-bonded Turntrans59.6-123.6178.1-163.60000111.2G103 G104 N105 W121 S122 I124 H235S101-G103 VanDerWaalsContact C-N 3.26Å; S101-G103 PolarHBondContact O-N 3.49Å; S101-G104 CarbonylContact O-C 3.38Å; S101-G104 WeakPolarHBondContact O-CA 3.38Å; S101-G104 PolarHBondContact O-N 3.1Å; S101-N105 PolarHBondContact O-N 2.92Å; S101-W121 PolarHBondContact N-O 3.07Å; S101-S122 VanDerWaalsContact CA-O 3.27Å; S101-S122 WeakPolarHBondContact CA-O 3.27Å; S101-I124 PolarHBondContact O-N 2.85Å; S101-H235 WeakPolarHBondContact CB-NE2 3.37Å; S101-H235 PolarHBondContact OG-NE2 3.48Å
102A97.5Very high97.8Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-55.6-36.5169.700000113.6W35 S100 G104 N105 L106 I124W35-A102 HydrophobicContact CD2-CB 3.71Å; W35-A102 HydrophobicContact CE3-CB 4.32Å; W35-A102 HydrophobicContact CG-CB 3.9Å; W35-A102 HydrophobicContact CZ2-CB 4.17Å; S100-A102 PolarHBondContact O-N 3.42Å; A102-G104 VanDerWaalsContact C-N 3.29Å; A102-G104 PolarHBondContact O-N 3.45Å; A102-N105 WeakPolarHBondContact O-CB 3.24Å; A102-N105 PolarHBondContact O-N 3.28Å; A102-L106 WeakPolarHBondContact O-CG 3.32Å; A102-L106 PolarHBondContact O-N 2.91Å; A102-I124 HydrophobicContact CB-CD1 4.1Å
103G98.3Very high98.1Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-68.9-30.8173.400000112.4I30 H31 S100 S101 N105 L106 A107I30-G103 WeakPolarHBondContact O-CA 3.5Å; H31-G103 WeakPolarHBondContact O-CA 3.38Å; H31-G103 PolarHBondContact O-N 3.05Å; S100-G103 WeakPolarHBondContact O-CA 2.97Å; S100-G103 PolarHBondContact O-N 2.82Å; S101-G103 VanDerWaalsContact C-N 3.26Å; S101-G103 PolarHBondContact O-N 3.49Å; G103-N105 VanDerWaalsContact C-N 3.35Å; G103-L106 PolarHBondContact O-N 3.33Å; G103-A107 WeakPolarHBondContact O-CB 3.22Å; G103-A107 PolarHBondContact O-N 2.68Å
104G98.4Very high98.3Very high0 Ų015 Ų150%07%0.068CC..Hα-helixtrans-69.8-32.217300000112.5G99 S100 S101 A102 I108 S120G99-G104 VanDerWaalsContact C-CA 3.45Å; G99-G104 VanDerWaalsContact C-N 3.29Å; G99-G104 VanDerWaalsContact O-CA 3.3Å; G99-G104 WeakPolarHBondContact O-CA 3.46Å; S100-G104 VanDerWaalsContact C-N 3.3Å; S100-G104 PolarHBondContact O-N 3.36Å; S101-G104 CarbonylContact O-C 3.38Å; S101-G104 WeakPolarHBondContact O-CA 3.38Å; S101-G104 PolarHBondContact O-N 3.1Å; A102-G104 VanDerWaalsContact C-N 3.29Å; A102-G104 PolarHBondContact O-N 3.45Å; G104-I108 WeakPolarHBondContact O-CD1 3.5Å; G104-I108 VanDerWaalsContact O-CG1 3.3Å; G104-I108 WeakPolarHBondContact O-CG1 3.38Å; G104-I108 PolarHBondContact O-N 2.91Å; G104-S120 WeakPolarHBondContact CA-OG 3.43Å; G104-S120 PolarHBondContact O-OG 2.8Å
105N98.5Very high98.4Very high2 Ų211.5 Ų11.51%0.0116%0.063CC..Hα-helixtrans-64.9-50.2168.2171.3-86.6000111W35 S101 A102 G103 A107 I108 E109 I124W35-N105 HydrophobicContact CZ2-CB 3.67Å; S101-N105 PolarHBondContact O-N 2.92Å; A102-N105 WeakPolarHBondContact O-CB 3.24Å; A102-N105 PolarHBondContact O-N 3.28Å; G103-N105 VanDerWaalsContact C-N 3.35Å; N105-A107 VanDerWaalsContact C-N 3.28Å; N105-A107 PolarHBondContact O-N 3.1Å; N105-I108 WeakPolarHBondContact O-CB 3.2Å; N105-I108 PolarHBondContact O-N 2.92Å; N105-I108 VanDerWaalsContact O-N 3.13Å; N105-E109 WeakPolarHBondContact O-CG 3.39Å; N105-E109 PolarHBondContact O-N 2.83Å; N105-I124 HydrophobicContact CB-CB 4.4Å; N105-I124 VanDerWaalsContact CB-O 3.3Å; N105-I124 WeakPolarHBondContact CB-O 3.43Å; N105-I124 PolarHBondContact ND2-O 3.22Å
106L98.8Very high98.4Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-63.3-33.7-179.5-66.8169.5000112.4I30 Y62 A73 M74 V77 A102 G103 E109 L110I30-L106 HydrophobicContact CD1-CB 3.9Å; I30-L106 HydrophobicContact CG2-CB 4.01Å; I30-L106 HydrophobicContact CG2-CD1 3.76Å; Y62-L106 HydrophobicContact CD1-CD1 4.04Å; Y62-L106 HydrophobicContact CD2-CD1 4.4Å; Y62-L106 HydrophobicContact CE1-CD1 3.76Å; Y62-L106 HydrophobicContact CE2-CD1 4.15Å; Y62-L106 HydrophobicContact CG-CD1 4.36Å; A73-L106 HydrophobicContact CB-CD1 4.34Å; A73-L106 HydrophobicContact CB-CD2 4.33Å; M74-L106 HydrophobicContact CB-CD2 4.07Å; M74-L106 HydrophobicContact SD-CD2 3.71Å; V77-L106 HydrophobicContact CG2-CB 4.38Å; V77-L106 HydrophobicContact CG2-CD1 4.14Å; A102-L106 WeakPolarHBondContact O-CG 3.32Å; A102-L106 PolarHBondContact O-N 2.91Å; G103-L106 PolarHBondContact O-N 3.33Å; L106-E109 PolarHBondContact O-N 3.24Å; L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 PolarHBondContact O-N 2.92Å
107A98.9Very high98.4Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-66.1-42.4173.500000112.1I30 A97 G103 N105 L110 A111 A118I30-A107 HydrophobicContact CD1-CB 4.26Å; A97-A107 HydrophobicContact CB-CB 3.84Å; G103-A107 WeakPolarHBondContact O-CB 3.22Å; G103-A107 PolarHBondContact O-N 2.68Å; N105-A107 VanDerWaalsContact C-N 3.28Å; N105-A107 PolarHBondContact O-N 3.1Å; A107-L110 PolarHBondContact O-N 2.86Å; A107-A111 PolarHBondContact O-N 2.78Å; A107-A111 VanDerWaalsContact O-N 3.08Å; A107-A118 WeakPolarHBondContact O-CB 3.34Å
108I98.8Very high98.4Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-61-51.7172.9-73.2164.6000109.8G104 N105 L110 A111 L112 S120 I125 P185 I196 L214G104-I108 WeakPolarHBondContact O-CD1 3.5Å; G104-I108 VanDerWaalsContact O-CG1 3.3Å; G104-I108 WeakPolarHBondContact O-CG1 3.38Å; G104-I108 PolarHBondContact O-N 2.91Å; N105-I108 WeakPolarHBondContact O-CB 3.2Å; N105-I108 PolarHBondContact O-N 2.92Å; N105-I108 VanDerWaalsContact O-N 3.13Å; I108-L110 PolarHBondContact O-N 3.1Å; I108-A111 WeakPolarHBondContact O-CA 3.43Å; I108-A111 WeakPolarHBondContact O-CB 3.43Å; I108-A111 PolarHBondContact O-N 2.87Å; I108-L112 HydrophobicContact CG2-CD1 3.94Å; I108-L112 HydrophobicContact CG2-CG 4.05Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.33Å; I108-S120 WeakPolarHBondContact CD1-OG 3.39Å; I108-I125 HydrophobicContact CD1-CD1 3.6Å; I108-I125 HydrophobicContact CD1-CG1 3.8Å; I108-P185 HydrophobicContact CG2-CB 4.38Å; I108-I196 HydrophobicContact CG1-CD1 4.49Å; I108-I196 HydrophobicContact CG1-CG2 4.14Å; I108-I196 HydrophobicContact CG2-CD1 4.12Å; I108-L214 HydrophobicContact CD1-CD2 3.83Å; I108-L214 HydrophobicContact CG1-CD2 4.32Å; I108-L214 HydrophobicContact CG2-CD2 3.93Å
109E98.7Very high98.4Very high5 Ų511 Ų112%0.0236%0.06CC..Hα-helixtrans-52.1-44.7177.7-77.4-73.1178.500112.4M74 N105 L106 L112 Q113 P185 R188M74-E109 HydrophobicContact CE-CB 3.93Å; M74-E109 HydrophobicContact CG-CB 4.48Å; M74-E109 HydrophobicContact SD-CB 3.41Å; M74-E109 WeakPolarHBondContact SD-CB 3.29Å; M74-E109 HydrophobicContact SD-CG 4.17Å; N105-E109 WeakPolarHBondContact O-CG 3.39Å; N105-E109 PolarHBondContact O-N 2.83Å; L106-E109 PolarHBondContact O-N 3.24Å; E109-L112 PolarHBondContact O-N 3.14Å; E109-Q113 WeakPolarHBondContact O-CB 3.46Å; E109-Q113 VanDerWaalsContact O-CG 3.29Å; E109-Q113 WeakPolarHBondContact O-CG 3.42Å; E109-Q113 PolarHBondContact O-N 3.49Å; E109-Q113 PolarHBondContact OE2-NE2 3.14Å; E109-P185 HydrophobicContact CG-CB 4.36Å; E109-P185 VanDerWaalsContact OE1-CA 3.29Å; E109-P185 WeakPolarHBondContact OE1-CA 3.44Å; E109-P185 VanDerWaalsContact OE1-CB 3.27Å; E109-P185 WeakPolarHBondContact OE1-CB 3.48Å; E109-R188 VanDerWaalsContact CD-NE 3.25Å; E109-R188 IonicContact OE1-CZ 3.64Å; E109-R188 VanDerWaalsContact OE1-CZ 3.22Å; E109-R188 IonicContact OE1-NE 2.69Å; E109-R188 PolarHBondContact OE1-NE 3.25Å; E109-R188 IonicContact OE1-NH2 3.58Å; E109-R188 PolarHBondContact OE1-NH2 3.14Å; E109-R188 VanDerWaalsContact OE2-CD 3.29Å; E109-R188 WeakPolarHBondContact OE2-CD 3.5Å; E109-R188 IonicContact OE2-CZ 3.06Å; E109-R188 IonicContact OE2-NE 2.74Å; E109-R188 PolarHBondContact OE2-NE 3.44Å; E109-R188 IonicContact OE2-NH2 2.81Å
110L98.8Very high98.4Very high0 Ų010.9 Ų10.90%06%0.059CC..Hα-helixtrans-64.3-42.5178.3-166.961.4000111.7I28 M74 V77 L78 Y81 A97 L106 A107 I108 Q113 R114 I116I28-L110 HydrophobicContact CD1-CD2 3.83Å; M74-L110 HydrophobicContact CE-CB 4.06Å; M74-L110 HydrophobicContact CE-CD1 3.98Å; V77-L110 HydrophobicContact CG1-CD1 4.39Å; V77-L110 HydrophobicContact CG1-CD2 3.98Å; L78-L110 HydrophobicContact CD2-CD1 3.67Å; Y81-L110 HydrophobicContact CD2-CD1 4.35Å; Y81-L110 HydrophobicContact CD2-CD2 4.31Å; Y81-L110 HydrophobicContact CG-CD1 4.12Å; A97-L110 HydrophobicContact CB-CD2 4.15Å; L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 PolarHBondContact O-N 2.92Å; A107-L110 PolarHBondContact O-N 2.86Å; I108-L110 PolarHBondContact O-N 3.1Å; L110-Q113 PolarHBondContact O-N 3.25Å; L110-R114 HydrophobicContact CD1-CB 4.44Å; L110-R114 HydrophobicContact CD1-CG 3.78Å; L110-R114 WeakPolarHBondContact O-CB 3.42Å; L110-R114 PolarHBondContact O-N 2.79Å; L110-I116 HydrophobicContact CB-CD1 4.48Å; L110-I116 HydrophobicContact CD2-CD1 3.69Å; L110-I116 HydrophobicContact CG-CD1 3.67Å; L110-I116 HydrophobicContact CG-CG1 4.34Å
111A98.8Very high98.5Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-61.6-42.1173.200000112.7A107 I108 Q113 G115 I116 A118 G194 I196A107-A111 PolarHBondContact O-N 2.78Å; A107-A111 VanDerWaalsContact O-N 3.08Å; I108-A111 WeakPolarHBondContact O-CA 3.43Å; I108-A111 WeakPolarHBondContact O-CB 3.43Å; I108-A111 PolarHBondContact O-N 2.87Å; A111-Q113 VanDerWaalsContact C-N 3.35Å; A111-Q113 PolarHBondContact O-N 3.21Å; A111-G115 WeakPolarHBondContact O-CA 3.4Å; A111-G115 PolarHBondContact O-N 3.16Å; A111-I116 WeakPolarHBondContact CA-O 3.3Å; A111-I116 WeakPolarHBondContact CB-O 3.36Å; A111-A118 HydrophobicContact CB-CB 3.58Å; A111-G194 PolarHBondContact O-N 2.88Å; A111-I196 HydrophobicContact CB-CD1 4.04Å; A111-I196 HydrophobicContact CB-CG1 4.01Å
112L98.7Very high98.5Very high6 Ų610 Ų103%0.0315%0.053CC..Hα-helixtrans-64.7-39.8179.3-62.5-175.1000111.8I108 E109 P185 R188 V189 S193 I196 L218I108-L112 HydrophobicContact CG2-CD1 3.94Å; I108-L112 HydrophobicContact CG2-CG 4.05Å; I108-L112 VanDerWaalsContact O-CG 3.32Å; I108-L112 WeakPolarHBondContact O-CG 3.48Å; I108-L112 PolarHBondContact O-N 3.33Å; E109-L112 PolarHBondContact O-N 3.14Å; L112-P185 HydrophobicContact CD1-CB 3.93Å; L112-P185 VanDerWaalsContact CD1-O 3.26Å; L112-P185 WeakPolarHBondContact CD1-O 3.14Å; L112-R188 HydrophobicContact CB-CB 4.32Å; L112-R188 HydrophobicContact CD1-CB 4.13Å; L112-V189 HydrophobicContact CD1-CG2 4.03Å; L112-V189 HydrophobicContact CD2-CG2 3.94Å; L112-S193 WeakPolarHBondContact CD2-OG 3.3Å; L112-S193 PolarHBondContact O-OG 3.35Å; L112-I196 HydrophobicContact CD2-CD1 3.83Å; L112-I196 HydrophobicContact CG-CD1 4.47Å; L112-L218 HydrophobicContact CD2-CD2 4.08Å
113Q98.3Very high98.5Very high70 Ų7010.1 Ų10.133%0.3275%0.053SC..Hα-helixtrans-90.4-23.6-173.8-65.6-177.748.500114.8E109 L110 A111E109-Q113 WeakPolarHBondContact O-CB 3.46Å; E109-Q113 VanDerWaalsContact O-CG 3.29Å; E109-Q113 WeakPolarHBondContact O-CG 3.42Å; E109-Q113 PolarHBondContact O-N 3.49Å; E109-Q113 PolarHBondContact OE2-NE2 3.14Å; L110-Q113 PolarHBondContact O-N 3.25Å; A111-Q113 VanDerWaalsContact C-N 3.35Å; A111-Q113 PolarHBondContact O-N 3.21Å
114R98.4Very high98.5Very high84 Ų8410.1 Ų10.132%0.3175%0.053SC..Hα-helixtrans-118-1.9-176.7-65-63.1-170.8-95.42.7114.3L78 Y81 D82 L110 I116L78-R114 HydrophobicContact CD2-CG 4.42Å; Y81-R114 HydrophobicContact CD1-CG 3.8Å; Y81-R114 HydrophobicContact CD2-CG 4.47Å; Y81-R114 HydrophobicContact CE1-CB 4.09Å; Y81-R114 VanDerWaalsContact CE1-CD 3.4Å; Y81-R114 HydrophobicContact CE1-CG 3.65Å; Y81-R114 HydrophobicContact CE2-CB 4.16Å; Y81-R114 HydrophobicContact CE2-CG 4.35Å; Y81-R114 HydrophobicContact CG-CG 4.21Å; D82-R114 IonicContact OD1-NE 2.68Å; D82-R114 IonicContact OD1-NH2 3.47Å; D82-R114 PolarHBondContact OD1-NH2 3.04Å; D82-R114 IonicContact OD2-NH2 3.74Å; L110-R114 HydrophobicContact CD1-CB 4.44Å; L110-R114 HydrophobicContact CD1-CG 3.78Å; L110-R114 WeakPolarHBondContact O-CB 3.42Å; L110-R114 PolarHBondContact O-N 2.79Å; R114-I116 HydrophobicContact CB-CG1 4.49Å; R114-I116 HydrophobicContact CB-CG2 4.22Å; R114-I116 PolarHBondContact O-N 3.42Å
115G98.4Very high98.4Very high34 Ų3410.2 Ų10.235%0.3515%0.054SC..  trans68.920178.200000113.8A111 N192 G194A111-G115 WeakPolarHBondContact O-CA 3.4Å; A111-G115 PolarHBondContact O-N 3.16Å; G115-N192 WeakPolarHBondContact CA-O 3.41Å; G115-G194 VanDerWaalsContact C-CA 3.48Å
116I98.6Very high98.3Very high9 Ų910.1 Ų10.15%0.0465%0.054CC..  trans-93.5153.4-17864.3169000112.8Y81 I95 A97 L110 A111 R114 G194Y81-I116 HydrophobicContact CD2-CD1 4.22Å; Y81-I116 HydrophobicContact CE2-CD1 4.19Å; Y81-I116 HydrophobicContact CE2-CG2 3.71Å; I95-I116 HydrophobicContact CG2-CD1 4.33Å; I95-I116 WeakPolarHBondContact O-CB 3.39Å; I95-I116 WeakPolarHBondContact O-CG2 3.45Å; A97-I116 HydrophobicContact CB-CD1 4.2Å; L110-I116 HydrophobicContact CB-CD1 4.48Å; L110-I116 HydrophobicContact CD2-CD1 3.69Å; L110-I116 HydrophobicContact CG-CD1 3.67Å; L110-I116 HydrophobicContact CG-CG1 4.34Å; A111-I116 WeakPolarHBondContact CA-O 3.3Å; A111-I116 WeakPolarHBondContact CB-O 3.36Å; R114-I116 HydrophobicContact CB-CG1 4.49Å; R114-I116 HydrophobicContact CB-CG2 4.22Å; R114-I116 PolarHBondContact O-N 3.42Å; I116-G194 WeakPolarHBondContact O-CA 3.33Å
117P98.8Very high98.3Very high0 Ų010.1 Ų10.10%05%0.054CC..  trans-63138.2171.4-17.630.7000111.4K94 T96 A97 P195 L251 N254K94-P117 HydrophobicContact CD-CG 4.35Å; T96-P117 CarbonylContact C-O 3.51Å; T96-P117 VanDerWaalsContact CA-O 3.23Å; T96-P117 WeakPolarHBondContact CA-O 3.31Å; T96-P117 WeakPolarHBondContact CB-O 3.47Å; T96-P117 HydrophobicContact CG2-CB 3.97Å; T96-P117 HydrophobicContact CG2-CG 4.08Å; A97-P117 PolarHBondContact N-O 3.03Å; P117-P195 WeakPolarHBondContact CA-O 3.29Å; P117-P195 HydrophobicContact CB-CG 4.02Å; P117-P195 HydrophobicContact CG-CG 4.14Å; P117-L251 HydrophobicContact CB-CD2 4.17Å; P117-N254 HydrophobicContact CB-CB 3.82Å; P117-N254 HydrophobicContact CG-CB 3.73Å; P117-N254 VanDerWaalsContact CG-O 3.29Å; P117-N254 WeakPolarHBondContact CG-O 3.4Å
118A98.9Very high98.2Very high0 Ų013.5 Ų13.50%07%0.067CC..EExtended strand (participates in β ladder)trans-137.6152.4172.700000113.7A97 A107 A111 P195 I196 F197A97-A118 HydrophobicContact CB-CB 4.07Å; A97-A118 CarbonylContact O-C 3.59Å; A97-A118 WeakPolarHBondContact O-CA 3.45Å; A107-A118 WeakPolarHBondContact O-CB 3.34Å; A111-A118 HydrophobicContact CB-CB 3.58Å; A118-P195 PolarHBondContact N-O 3.36Å; A118-I196 CarbonylContact O-C 3.48Å; A118-I196 WeakPolarHBondContact O-CA 3.32Å; A118-F197 PolarHBondContact O-N 3.33Å
119A98.8Very high98.1Very high0 Ų016.1 Ų16.10%08%0.081CC..EExtended strand (participates in β ladder)trans-119140.6166.900000110A97 L98 G99 F197 A247 L251A97-A119 PolarHBondContact O-N 2.86Å; L98-A119 WeakPolarHBondContact CA-O 3.39Å; L98-A119 HydrophobicContact CD1-CB 3.62Å; L98-A119 WeakPolarHBondContact CD1-O 3.42Å; G99-A119 PolarHBondContact N-O 2.96Å; A119-F197 CarbonylContact C-O 3.57Å; A119-F197 WeakPolarHBondContact CA-O 3.35Å; A119-F197 HydrophobicContact CB-CB 4.29Å; A119-F197 HydrophobicContact CB-CD1 4.16Å; A119-A247 HydrophobicContact CB-CB 4.01Å; A119-L251 HydrophobicContact CB-CD1 4.1Å; A119-L251 HydrophobicContact CB-CD2 4.26Å; A119-L251 HydrophobicContact CB-CG 4.19Å
120S98.7Very high98Very high0 Ų016.3 Ų16.30%08%0.081CC..EExtended strand (participates in β ladder)trans-134.8124.6-176.7-172.30000111.1G104 I108 G123 F197 I198 A199G104-S120 WeakPolarHBondContact CA-OG 3.43Å; G104-S120 PolarHBondContact O-OG 2.8Å; I108-S120 WeakPolarHBondContact CD1-OG 3.39Å; S120-G123 VanDerWaalsContact OG-CA 3.26Å; S120-G123 WeakPolarHBondContact OG-CA 3.43Å; S120-F197 PolarHBondContact N-O 3.34Å; S120-I198 WeakPolarHBondContact O-CA 3.46Å; S120-A199 PolarHBondContact O-N 3.3Å
121W98.2Very high97.9Very high1 Ų116.8 Ų16.80%0.0048%0.084CC..EExtended strand (participates in β ladder)trans-109.6109.6177.2-60.4-17.4000110.7L46 L98 G99 S100 S101 G123 A199 E237 Y239 L240 Y244 A247L46-W121 HydrophobicContact CD1-CH2 4.02Å; L46-W121 HydrophobicContact CD1-CZ3 4.41Å; L46-W121 HydrophobicContact CD2-CH2 3.96Å; L46-W121 HydrophobicContact CD2-CZ3 3.64Å; L98-W121 HydrophobicContact CD1-CD2 4.17Å; L98-W121 HydrophobicContact CD1-CH2 4.39Å; L98-W121 HydrophobicContact CD1-CZ2 3.94Å; L98-W121 HydrophobicContact CD2-CH2 4.12Å; L98-W121 HydrophobicContact CD2-CZ2 4.2Å; G99-W121 PolarHBondContact O-N 3.32Å; S100-W121 CarbonylContact C-O 3.58Å; S100-W121 WeakPolarHBondContact CA-O 3.48Å; S100-W121 PolarHBondContact OG-O 3.17Å; S101-W121 PolarHBondContact N-O 3.07Å; W121-G123 PolarHBondContact O-N 2.93Å; W121-A199 CarbonylContact C-O 3.47Å; W121-A199 WeakPolarHBondContact CA-O 3.3Å; W121-E237 HydrophobicContact CE3-CG 4.11Å; W121-E237 HydrophobicContact CZ3-CG 4.12Å; W121-Y239 WeakPolarHBondContact CA-OH 3.5Å; W121-Y239 HydrophobicContact CB-CE2 3.92Å; W121-Y239 WeakPolarHBondContact CB-OH 3.32Å; W121-Y239 HydrophobicContact CG-CE2 4.09Å; W121-L240 HydrophobicContact CH2-CD1 4.37Å; W121-L240 HydrophobicContact CH2-CG 4.09Å; W121-L240 HydrophobicContact CZ3-CB 4.43Å; W121-L240 HydrophobicContact CZ3-CD1 4.03Å; W121-L240 HydrophobicContact CZ3-CG 4.02Å; W121-Y244 HydrophobicContact CH2-CD2 4.12Å; W121-Y244 HydrophobicContact CZ2-CD2 4.44Å; W121-A247 HydrophobicContact CZ2-CB 4.01Å
122S97.4Very high97.8Very high0 Ų019.9 Ų19.90%010%0.103CC..SBendtrans59.736.6-174.9-57.40000111.5S101 I124 A199 N200 E204 H235 G236 Y239S101-S122 VanDerWaalsContact CA-O 3.27Å; S101-S122 WeakPolarHBondContact CA-O 3.27Å; S122-I124 PolarHBondContact O-N 2.99Å; S122-A199 PolarHBondContact N-O 2.83Å; S122-N200 WeakPolarHBondContact CA-ND2 3.34Å; S122-E204 VanDerWaalsContact CB-OE2 3.26Å; S122-E204 WeakPolarHBondContact CB-OE2 3.43Å; S122-E204 PolarHBondContact OG-OE1 2.99Å; S122-E204 PolarHBondContact OG-OE2 3.47Å; S122-H235 WeakPolarHBondContact CB-CE1 3.34Å; S122-H235 VanDerWaalsContact CB-ND1 3.3Å; S122-H235 WeakPolarHBondContact CB-ND1 3.47Å; S122-H235 PolarHBondContact OG-ND1 3.03Å; S122-G236 PolarHBondContact OG-N 2.84Å; S122-Y239 PolarHBondContact N-OH 3.46Å; S122-Y239 WeakPolarHBondContact OG-CE1 3.17Å; S122-Y239 PolarHBondContact OG-OH 3.33Å
123G97.6Very high97.7Very high1 Ų125 Ų251%0.0113%0.127CC..  trans-55.5127.6178.200000110.8S120 W121 I125S120-G123 VanDerWaalsContact OG-CA 3.26Å; S120-G123 WeakPolarHBondContact OG-CA 3.43Å; W121-G123 PolarHBondContact O-N 2.93Å; G123-I125 PolarHBondContact O-N 3.36Å
124I97.1Very high97.6Very high0 Ų024 Ų240%012%0.122CC..  trans-75.2113.1177.3-54160.7000107.2W35 S101 A102 N105 S122 L127 Y165 F168 I169 V206W35-I124 HydrophobicContact CE3-CD1 4.43Å; W35-I124 HydrophobicContact CH2-CB 3.75Å; W35-I124 HydrophobicContact CH2-CD1 3.56Å; W35-I124 HydrophobicContact CH2-CG1 4.28Å; W35-I124 HydrophobicContact CH2-CG2 3.72Å; W35-I124 HydrophobicContact CZ2-CB 4.37Å; W35-I124 HydrophobicContact CZ2-CD1 4.16Å; W35-I124 HydrophobicContact CZ3-CD1 3.7Å; W35-I124 HydrophobicContact CZ3-CG2 4.29Å; S101-I124 PolarHBondContact O-N 2.85Å; A102-I124 HydrophobicContact CB-CD1 4.1Å; N105-I124 HydrophobicContact CB-CB 4.4Å; N105-I124 VanDerWaalsContact CB-O 3.3Å; N105-I124 WeakPolarHBondContact CB-O 3.43Å; N105-I124 PolarHBondContact ND2-O 3.22Å; S122-I124 PolarHBondContact O-N 2.99Å; I124-L127 HydrophobicContact CB-CD2 4.48Å; I124-L127 HydrophobicContact CG2-CD2 3.43Å; I124-L127 VanDerWaalsContact CG2-CD2 3.43Å; I124-Y165 HydrophobicContact CG2-CE2 3.78Å; I124-Y165 WeakPolarHBondContact CG2-OH 3.21Å; I124-F168 HydrophobicContact CD1-CD2 4.23Å; I124-F168 HydrophobicContact CD1-CE2 3.46Å; I124-F168 VanDerWaalsContact CD1-CE2 3.46Å; I124-F168 HydrophobicContact CD1-CZ 3.92Å; I124-F168 HydrophobicContact CG1-CE2 4.15Å; I124-F168 HydrophobicContact CG1-CZ 4.36Å; I124-F168 HydrophobicContact CG2-CE2 4.07Å; I124-I169 HydrophobicContact CG2-CD1 4Å; I124-I169 HydrophobicContact CG2-CG1 4.19Å; I124-V206 HydrophobicContact CG1-CG2 4.26Å
125I97.2Very high97.5Very high2 Ų224.9 Ų24.91%0.0114%0.138CC..  trans-131.9172.1-178.1-54.9152.8000106.8I108 G123 Y165 P185 L186 G210 L214I108-I125 HydrophobicContact CD1-CD1 3.6Å; I108-I125 HydrophobicContact CD1-CG1 3.8Å; G123-I125 PolarHBondContact O-N 3.36Å; I125-Y165 PolarHBondContact O-OH 3.16Å; I125-Y165 VanDerWaalsContact O-OH 3.06Å; I125-P185 HydrophobicContact CG2-CG 4.14Å; I125-L186 HydrophobicContact CG2-CD2 3.93Å; I125-L186 HydrophobicContact CG2-CG 4.08Å; I125-G210 WeakPolarHBondContact CG2-O 3.43Å; I125-L214 HydrophobicContact CD1-CB 4.42Å; I125-L214 HydrophobicContact CD1-CD2 3.68Å; I125-L214 HydrophobicContact CG1-CD2 4.35Å; I125-L214 HydrophobicContact CG2-CB 4.23Å
126D96.9Very high97.5Very high1 Ų129.2 Ų29.21%0.00515%0.15CC..  trans56.961177.2-179.330.9000110.3D129 W130 L186 S209 G210 K213D126-D129 WeakPolarHBondContact OD1-CB 3.43Å; D126-W130 WeakPolarHBondContact O-CB 3.3Å; D126-W130 PolarHBondContact OD1-N 3.03Å; D126-L186 HydrophobicContact CB-CD1 4.27Å; D126-S209 WeakPolarHBondContact OD2-CB 3.39Å; D126-S209 PolarHBondContact OD2-OG 2.97Å; D126-G210 VanDerWaalsContact CB-CA 3.49Å; D126-K213 HydrophobicContact CB-CD 4.09Å; D126-K213 IonicContact OD1-NZ 2.69Å; D126-K213 PolarHBondContact OD1-NZ 2.77Å; D126-K213 IonicContact OD2-NZ 2.65Å; D126-K213 PolarHBondContact OD2-NZ 2.84Å
127L97.4Very high97.3Very high0 Ų030.5 Ų30.50%016%0.156CC..  trans-81.9-54.8-173.5-53.4-174.1000110.1W35 I124 V131 I169 L180 A183 D184W35-L127 HydrophobicContact CH2-CD2 4.41Å; I124-L127 HydrophobicContact CB-CD2 4.48Å; I124-L127 HydrophobicContact CG2-CD2 3.43Å; I124-L127 VanDerWaalsContact CG2-CD2 3.43Å; L127-V131 WeakPolarHBondContact O-CB 3.29Å; L127-V131 VanDerWaalsContact O-CG2 3.24Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 3.35Å; L127-I169 HydrophobicContact CB-CG2 4.22Å; L127-I169 HydrophobicContact CD2-CD1 3.86Å; L127-I169 HydrophobicContact CD2-CG1 4.14Å; L127-I169 HydrophobicContact CD2-CG2 4.44Å; L127-L180 HydrophobicContact CB-CD1 3.82Å; L127-L180 HydrophobicContact CB-CG 4.48Å; L127-A183 HydrophobicContact CD1-CB 4.15Å; L127-A183 WeakPolarHBondContact CD1-O 3.32Å; L127-D184 HydrophobicContact CB-CB 4.38Å; L127-D184 PolarHBondContact N-OD2 3Å
128Y97.5Very high97.2Very high70 Ų7036 Ų3628%0.27519%0.19SC..Hα-helixtrans-72.4-52.5-171.6176.1-95.3000110.9V131 T132 I177 L180 K181 D184Y128-V131 PolarHBondContact O-N 3.15Å; Y128-T132 HydrophobicContact CD1-CG2 4.42Å; Y128-T132 HydrophobicContact CD2-CG2 4.47Å; Y128-T132 HydrophobicContact CE1-CG2 4.03Å; Y128-T132 HydrophobicContact CE2-CG2 4.12Å; Y128-T132 WeakPolarHBondContact O-CG2 3.37Å; Y128-T132 PolarHBondContact O-N 3.22Å; Y128-T132 PolarHBondContact O-OG1 3.18Å; Y128-I177 HydrophobicContact CD2-CG2 4.31Å; Y128-I177 HydrophobicContact CE2-CG2 3.65Å; Y128-L180 HydrophobicContact CD2-CB 4.47Å; Y128-L180 HydrophobicContact CD2-CG 4.46Å; Y128-K181 HydrophobicContact CD1-CG 4.21Å; Y128-K181 HydrophobicContact CD2-CB 3.48Å; Y128-K181 VanDerWaalsContact CD2-CB 3.48Å; Y128-K181 HydrophobicContact CD2-CD 4.47Å; Y128-K181 HydrophobicContact CD2-CG 3.94Å; Y128-K181 HydrophobicContact CE1-CD 4.27Å; Y128-K181 HydrophobicContact CE1-CG 4.41Å; Y128-K181 HydrophobicContact CE2-CB 3.75Å; Y128-K181 HydrophobicContact CE2-CD 4.15Å; Y128-K181 HydrophobicContact CE2-CG 4.11Å; Y128-K181 HydrophobicContact CG-CB 3.95Å; Y128-K181 HydrophobicContact CG-CG 3.98Å; Y128-D184 PolarHBondContact N-OD2 3.43Å
129D96.8Very high97Very high55 Ų5538 Ų3829%0.29420%0.203SC..Hα-helixtrans-66.6-43.1-174.8-172.944.2000110.7D126 V131 T132 Q133 K213D126-D129 WeakPolarHBondContact OD1-CB 3.43Å; D129-V131 PolarHBondContact O-N 2.81Å; D129-T132 WeakPolarHBondContact CA-OG1 3.47Å; D129-T132 PolarHBondContact O-N 2.89Å; D129-T132 PolarHBondContact O-OG1 3.28Å; D129-Q133 WeakPolarHBondContact O-CB 3.37Å; D129-Q133 VanDerWaalsContact O-CG 3.32Å; D129-Q133 WeakPolarHBondContact O-CG 3.3Å; D129-Q133 PolarHBondContact O-N 2.99Å; D129-Q133 PolarHBondContact OD1-NE2 2.93Å; D129-Q133 PolarHBondContact OD2-NE2 2.9Å; D129-K213 WeakPolarHBondContact OD2-CE 3.2Å; D129-K213 IonicContact OD2-NZ 3.78Å; D129-K213 PolarHBondContact OD2-NZ 3.38Å
130W97.2Very high96.7Very high10 Ų1040 Ų404%0.03822%0.219CC..Hα-helixtrans-56.3-48.2172.6-169.993.9000112.7D126 T132 Q133 H134 D162 Y165 K166 P207D126-W130 WeakPolarHBondContact O-CB 3.3Å; D126-W130 PolarHBondContact OD1-N 3.03Å; W130-T132 VanDerWaalsContact C-N 3.32Å; W130-T132 PolarHBondContact O-N 2.7Å; W130-Q133 PolarHBondContact O-N 2.76Å; W130-H134 AromaticContact CD1-CE1 3.55Å; W130-H134 AromaticContact CD1-ND1 3.84Å; W130-H134 AromaticContact CD2-ND1 3.68Å; W130-H134 AromaticContact CE2-CE1 3.69Å; W130-H134 AromaticContact CE2-ND1 3.59Å; W130-H134 AromaticContact CG-ND1 3.85Å; W130-H134 HydrophobicContact CH2-CB 4.49Å; W130-H134 AromaticContact NE1-CE1 3.29Å; W130-H134 PolarHBondContact NE1-CE1 2.83Å; W130-H134 VanDerWaalsContact NE1-CE1 3.29Å; W130-H134 AromaticContact NE1-ND1 3.65Å; W130-H134 AromaticContact NE1-NE2 3.87Å; W130-H134 PolarHBondContact O-N 3.13Å; W130-H134 PolarHBondContact O-ND1 3.19Å; W130-D162 HydrophobicContact CH2-CB 3.98Å; W130-D162 HydrophobicContact CZ2-CB 4.02Å; W130-Y165 AromaticContact CD2-CD1 3.91Å; W130-Y165 HydrophobicContact CD2-CD1 3.91Å; W130-Y165 AromaticContact CD2-CE1 3.74Å; W130-Y165 HydrophobicContact CD2-CE1 3.74Å; W130-Y165 AromaticContact CE2-CD1 3.95Å; W130-Y165 AromaticContact CE3-CD1 3.74Å; W130-Y165 HydrophobicContact CE3-CD1 3.74Å; W130-Y165 AromaticContact CE3-CE1 3.81Å; W130-Y165 HydrophobicContact CE3-CE1 3.81Å; W130-Y165 HydrophobicContact CG-CE1 4.18Å; W130-Y165 AromaticContact CH2-CD1 3.72Å; W130-Y165 HydrophobicContact CH2-CD1 3.72Å; W130-Y165 AromaticContact CZ2-CD1 3.86Å; W130-Y165 HydrophobicContact CZ2-CD1 3.86Å; W130-Y165 HydrophobicContact CZ2-CE1 4.45Å; W130-Y165 AromaticContact CZ3-CD1 3.66Å; W130-Y165 HydrophobicContact CZ3-CD1 3.66Å; W130-Y165 HydrophobicContact CZ3-CE1 4.23Å; W130-K166 HydrophobicContact CH2-CB 4.16Å; W130-K166 HydrophobicContact CZ3-CB 3.76Å; W130-K166 HydrophobicContact CZ3-CD 4.28Å; W130-K166 HydrophobicContact CZ3-CG 4.02Å; W130-P207 HydrophobicContact CD2-CG 4.45Å; W130-P207 HydrophobicContact CG-CG 4.39Å; W130-P207 HydrophobicContact CZ2-CG 4.35Å
131V97.2Very high96.3Very high9 Ų943.6 Ų43.66%0.05524%0.237CC..Hα-helixtrans-61.8-40.6179165.30000111.6L127 Y128 D129 Q133 H134 K166 I169 L170 I177 L180L127-V131 WeakPolarHBondContact O-CB 3.29Å; L127-V131 VanDerWaalsContact O-CG2 3.24Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 3.35Å; Y128-V131 PolarHBondContact O-N 3.15Å; D129-V131 PolarHBondContact O-N 2.81Å; V131-Q133 VanDerWaalsContact C-N 3.34Å; V131-H134 PolarHBondContact O-N 2.83Å; V131-K166 HydrophobicContact CG2-CG 4.45Å; V131-I169 HydrophobicContact CG2-CG2 3.98Å; V131-L170 HydrophobicContact CG1-CD2 4.18Å; V131-I177 HydrophobicContact CG1-CD1 4.36Å; V131-L180 HydrophobicContact CB-CD2 3.73Å; V131-L180 HydrophobicContact CG1-CD2 3.81Å; V131-L180 HydrophobicContact CG2-CD2 3.81Å
132T96.7Very high95.5Very high65 Ų6544.4 Ų44.440%0.39924%0.241SC..Hα-helixtrans-70.8-28179.658.30000113.7Y128 D129 W130Y128-T132 HydrophobicContact CD1-CG2 4.42Å; Y128-T132 HydrophobicContact CD2-CG2 4.47Å; Y128-T132 HydrophobicContact CE1-CG2 4.03Å; Y128-T132 HydrophobicContact CE2-CG2 4.12Å; Y128-T132 WeakPolarHBondContact O-CG2 3.37Å; Y128-T132 PolarHBondContact O-N 3.22Å; Y128-T132 PolarHBondContact O-OG1 3.18Å; D129-T132 WeakPolarHBondContact CA-OG1 3.47Å; D129-T132 PolarHBondContact O-N 2.89Å; D129-T132 PolarHBondContact O-OG1 3.28Å; W130-T132 VanDerWaalsContact C-N 3.32Å; W130-T132 PolarHBondContact O-N 2.7Å
133Q96.5Very high94.5Very high114 Ų11453.1 Ų53.153%0.53328%0.282SS..Hα-helixtrans-83.7-10179.1-71.5-177.821.100114.2D129 W130 V131 P135D129-Q133 WeakPolarHBondContact O-CB 3.37Å; D129-Q133 VanDerWaalsContact O-CG 3.32Å; D129-Q133 WeakPolarHBondContact O-CG 3.3Å; D129-Q133 PolarHBondContact O-N 2.99Å; D129-Q133 PolarHBondContact OD1-NE2 2.93Å; D129-Q133 PolarHBondContact OD2-NE2 2.9Å; W130-Q133 PolarHBondContact O-N 2.76Å; V131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-P135 WeakPolarHBondContact O-CD 3.24Å
134H96.2Very high93.4Very high49 Ų4957.5 Ų57.523%0.22730%0.301CS..  trans-121.856-179.6-61.585.5000111.8W130 V131 E136 I137 K166W130-H134 AromaticContact CD1-CE1 3.55Å; W130-H134 AromaticContact CD1-ND1 3.84Å; W130-H134 AromaticContact CD2-ND1 3.68Å; W130-H134 AromaticContact CE2-CE1 3.69Å; W130-H134 AromaticContact CE2-ND1 3.59Å; W130-H134 AromaticContact CG-ND1 3.85Å; W130-H134 HydrophobicContact CH2-CB 4.49Å; W130-H134 AromaticContact NE1-CE1 3.29Å; W130-H134 PolarHBondContact NE1-CE1 2.83Å; W130-H134 VanDerWaalsContact NE1-CE1 3.29Å; W130-H134 AromaticContact NE1-ND1 3.65Å; W130-H134 AromaticContact NE1-NE2 3.87Å; W130-H134 PolarHBondContact O-N 3.13Å; W130-H134 PolarHBondContact O-ND1 3.19Å; V131-H134 PolarHBondContact O-N 2.83Å; H134-E136 IonicContact CD2-OE1 2.87Å; H134-E136 PolarHBondContact O-N 3.45Å; H134-I137 HydrophobicContact CB-CB 4.41Å; H134-I137 HydrophobicContact CB-CG1 3.87Å; H134-I137 PolarHBondContact O-N 2.91Å; H134-K166 PolarHBondContact O-NZ 3.18Å
135P96.4Very high92Very high102 Ų10262.7 Ų62.766%0.66233%0.334SS*.THydrogen-bonded Turntrans-62-28.6-17727.5-36.3000113.4Q133 I137Q133-P135 WeakPolarHBondContact O-CD 3.24Å; P135-I137 VanDerWaalsContact C-N 3.32Å; P135-I137 PolarHBondContact O-N 2.87Å
136E96.6Very high90.6Very high125 Ų12567 Ų6758%0.58436%0.357SS*.THydrogen-bonded Turntrans-72-21.5-179.273-66.7157.200114H134 V138H134-E136 IonicContact CD2-OE1 2.87Å; H134-E136 PolarHBondContact O-N 3.45Å; E136-V138 PolarHBondContact O-N 3.45Å
137I95.2Very high89.2Confident37 Ų3767.1 Ų67.119%0.1936%0.358CS..PPolyproline II helixtrans-75.3121.5179.8-57.7-59.8000109.8H134 P135 D162 K166H134-I137 HydrophobicContact CB-CB 4.41Å; H134-I137 HydrophobicContact CB-CG1 3.87Å; H134-I137 PolarHBondContact O-N 2.91Å; P135-I137 VanDerWaalsContact C-N 3.32Å; P135-I137 PolarHBondContact O-N 2.87Å; I137-D162 HydrophobicContact CD1-CB 4.37Å; I137-D162 HydrophobicContact CG1-CB 4.45Å; I137-D162 HydrophobicContact CG2-CB 4.11Å; I137-K166 HydrophobicContact CB-CD 3.94Å; I137-K166 HydrophobicContact CG2-CB 4.3Å; I137-K166 HydrophobicContact CG2-CD 3.9Å; I137-K166 VanDerWaalsContact O-CD 3.26Å; I137-K166 WeakPolarHBondContact O-CD 3.45Å; I137-K166 WeakPolarHBondContact O-CE 3.14Å; I137-K166 PolarHBondContact O-NZ 2.92Å
138V95.8Very high87.7Confident115 Ų11571.9 Ų71.970%0.69738%0.383SS*.PPolyproline II helixtrans-85.6120.8174.1-1790000109.1E136 A140 A163E136-V138 PolarHBondContact O-N 3.45Å; V138-A140 PolarHBondContact O-N 2.98Å; V138-A163 WeakPolarHBondContact O-CB 3.44Å
139P95.2Very high86.3Confident43 Ų4376.5 Ų76.528%0.27941%0.405SS..PPolyproline II helixtrans-65.5127.8178.325.6-32.2000111A163 K166 W167 L170P139-A163 WeakPolarHBondContact CA-O 3.4Å; P139-K166 HydrophobicContact CB-CB 4.25Å; P139-K166 HydrophobicContact CB-CG 4.18Å; P139-W167 HydrophobicContact CB-CB 3.91Å; P139-L170 HydrophobicContact CB-CD1 4.18Å; P139-L170 HydrophobicContact CG-CD1 4.04Å
140A93.6Very high84.9Confident41 Ų4177 Ų7734%0.33941%0.405SS..  trans-141.9138.6176.100000112.1V138 A163 F164V138-A140 PolarHBondContact O-N 2.98Å; A140-A163 HydrophobicContact CB-CB 4.21Å; A140-A163 PolarHBondContact N-O 3.3Å; A140-A163 CarbonylContact O-C 3.57Å; A140-F164 WeakPolarHBondContact O-CA 3.29Å; A140-F164 PolarHBondContact O-N 3.46Å
141M89.1Confident83.6Confident75 Ų7579.7 Ų79.737%0.36943%0.43SS..  trans-64.3148.1173.7-161.6168-163.100110.8F36 Q143 W167F36-M141 HydrophobicContact CD2-CE 4.06Å; F36-M141 HydrophobicContact CE2-CE 3.56Å; F36-M141 HydrophobicContact CZ-CE 4.23Å; M141-Q143 PolarHBondContact O-N 2.85Å; M141-W167 HydrophobicContact CB-CD2 4.03Å; M141-W167 HydrophobicContact CB-CE3 4.35Å; M141-W167 HydrophobicContact CB-CZ2 4.16Å; M141-W167 HydrophobicContact CE-CH2 3.47Å; M141-W167 VanDerWaalsContact CE-CH2 3.47Å; M141-W167 HydrophobicContact CE-CZ2 4.19Å; M141-W167 HydrophobicContact CE-CZ3 3.88Å; M141-W167 HydrophobicContact CG-CD2 4.29Å; M141-W167 HydrophobicContact CG-CE3 4.14Å; M141-W167 HydrophobicContact CG-CH2 3.93Å; M141-W167 HydrophobicContact CG-CZ2 4.03Å; M141-W167 HydrophobicContact CG-CZ3 3.97Å; M141-W167 HydrophobicContact SD-CH2 3.65Å; M141-W167 HydrophobicContact SD-CZ2 3.74Å; M141-W167 HydrophobicContact SD-CZ3 4.25Å
142N82Confident82.2Confident18 Ų1880 Ų8010%0.09643%0.432CS..  trans-68.9118178-167.6-24.1000110.2K144 F147 F164N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.06Å; N142-K144 WeakPolarHBondContact OD1-CB 3.38Å; N142-K144 WeakPolarHBondContact OD1-CG 3.33Å; N142-K144 PolarHBondContact OD1-N 3.34Å; N142-K144 VanDerWaalsContact OD1-N 3.08Å; N142-F147 HydrophobicContact CB-CD1 3.84Å; N142-F147 HydrophobicContact CB-CD2 4.07Å; N142-F147 HydrophobicContact CB-CE1 3.83Å; N142-F147 HydrophobicContact CB-CE2 4.06Å; N142-F147 HydrophobicContact CB-CG 3.99Å; N142-F147 HydrophobicContact CB-CZ 4.01Å; N142-F147 WeakPolarHBondContact ND2-CE2 3.39Å; N142-F164 HydrophobicContact CB-CB 4.42Å; N142-F164 HydrophobicContact CB-CD1 4.33Å; N142-F164 HydrophobicContact CB-CD2 3.67Å; N142-F164 HydrophobicContact CB-CE2 4.01Å; N142-F164 HydrophobicContact CB-CG 3.86Å; N142-F164 VanDerWaalsContact N-CD2 3.33Å
143Q76.1Confident81Confident184 Ų18478.1 Ų78.186%0.8643%0.426SS*.  trans-86.85.3-176.2-61.3-175.3-7.400113.8M141M141-Q143 PolarHBondContact O-N 2.85Å
144K75.2Confident79.9Confident93 Ų9379.8 Ų79.840%0.40443%0.431SS..SBendtrans-61.7135.5178.5-75.9-179.3-177.4176.10110.5N142 D146 F147 S158N142-K144 VanDerWaalsContact C-N 3.31Å; N142-K144 PolarHBondContact O-N 3.06Å; N142-K144 WeakPolarHBondContact OD1-CB 3.38Å; N142-K144 WeakPolarHBondContact OD1-CG 3.33Å; N142-K144 PolarHBondContact OD1-N 3.34Å; N142-K144 VanDerWaalsContact OD1-N 3.08Å; K144-D146 PolarHBondContact O-N 2.99Å; K144-F147 HydrophobicContact CB-CB 4.41Å; K144-F147 WeakPolarHBondContact O-CB 3.32Å; K144-F147 PolarHBondContact O-N 3.43Å; K144-S158 PolarHBondContact NZ-OG 3.06Å
145P68Low78.6Confident108 Ų10878.1 Ų78.170%0.70142%0.424SS*.THydrogen-bonded Turntrans-54.3139.2176-24.632.6000111.9F147P145-F147 PolarHBondContact O-N 3.3Å
146D66.3Low77.2Confident92 Ų9273.6 Ų73.649%0.49239%0.394SS..THydrogen-bonded Turntrans52.323.3179.2-62.3-55.5000114.5K144 D148 K149 Q150K144-D146 PolarHBondContact O-N 2.99Å; D146-D148 PolarHBondContact O-N 2.79Å; D146-K149 HydrophobicContact CB-CB 4.34Å; D146-K149 PolarHBondContact O-N 3.42Å; D146-K149 WeakPolarHBondContact OD1-CD 3.47Å; D146-K149 IonicContact OD1-NZ 2.8Å; D146-K149 PolarHBondContact OD1-NZ 2.82Å; D146-Q150 WeakPolarHBondContact O-CG 3.13Å; D146-Q150 PolarHBondContact O-N 2.81Å
147F69.1Low76.2Confident5 Ų569.5 Ų69.52%0.02238%0.375CS..G310 helixtrans-48.7-35.8176.5172.2-112.7000111.4F36 R37 N142 K144 P145 I155 N156 F164F36-F147 HydrophobicContact CZ-CE1 4.02Å; R37-F147 VanDerWaalsContact CZ-O 3.27Å; R37-F147 PolarHBondContact NH1-O 2.91Å; R37-F147 VanDerWaalsContact NH2-CZ 3.31Å; R37-F147 PolarHBondContact NH2-O 3.16Å; R37-F147 VanDerWaalsContact NH2-O 3.15Å; N142-F147 HydrophobicContact CB-CD1 3.84Å; N142-F147 HydrophobicContact CB-CD2 4.07Å; N142-F147 HydrophobicContact CB-CE1 3.83Å; N142-F147 HydrophobicContact CB-CE2 4.06Å; N142-F147 HydrophobicContact CB-CG 3.99Å; N142-F147 HydrophobicContact CB-CZ 4.01Å; N142-F147 WeakPolarHBondContact ND2-CE2 3.39Å; K144-F147 HydrophobicContact CB-CB 4.41Å; K144-F147 WeakPolarHBondContact O-CB 3.32Å; K144-F147 PolarHBondContact O-N 3.43Å; P145-F147 PolarHBondContact O-N 3.3Å; F147-I155 HydrophobicContact CD2-CG2 4.28Å; F147-I155 HydrophobicContact CE2-CG2 3.52Å; F147-I155 HydrophobicContact CZ-CG2 4.11Å; F147-N156 HydrophobicContact CE2-CB 4.39Å; F147-F164 HydrophobicContact CE1-CE1 4.12Å; F147-F164 AromaticContact CE1-CE2 3.68Å; F147-F164 HydrophobicContact CE1-CE2 3.68Å; F147-F164 AromaticContact CE1-CZ 3.39Å; F147-F164 HydrophobicContact CE1-CZ 3.39Å; F147-F164 HydrophobicContact CE2-CE1 4.18Å; F147-F164 HydrophobicContact CE2-CZ 4.27Å; F147-F164 HydrophobicContact CZ-CD1 4.31Å; F147-F164 AromaticContact CZ-CE1 3.4Å; F147-F164 HydrophobicContact CZ-CE1 3.4Å; F147-F164 AromaticContact CZ-CE2 3.84Å; F147-F164 HydrophobicContact CZ-CE2 3.84Å; F147-F164 AromaticContact CZ-CZ 3.13Å; F147-F164 HydrophobicContact CZ-CZ 3.13Å
148D64.9Low75.3Confident99 Ų9971.5 Ų71.553%0.52939%0.392SS..G310 helixtrans-79.7-14.4-178.5-53.7-34.2000115.7R37 D146R37-D148 IonicContact CZ-OD1 3.86Å; R37-D148 IonicContact NH1-OD1 3.55Å; R37-D148 PolarHBondContact NH1-OD1 3.31Å; D146-D148 PolarHBondContact O-N 2.79Å
149K68.6Low74.5Confident168 Ų16866.1 Ų66.173%0.7336%0.36SS*.G310 helixtrans-107.8-0.9-177.1-57-178.4-165.7148.10113.4D146D146-K149 HydrophobicContact CB-CB 4.34Å; D146-K149 PolarHBondContact O-N 3.42Å; D146-K149 WeakPolarHBondContact OD1-CD 3.47Å; D146-K149 IonicContact OD1-NZ 2.8Å; D146-K149 PolarHBondContact OD1-NZ 2.82Å
150Q67.5Low73.9Confident64 Ų6467.6 Ų67.630%0.29938%0.376SS..SBendtrans-77.6140.6-177.8-73.1171.824.400111.4D146 K154 I155D146-Q150 WeakPolarHBondContact O-CG 3.13Å; D146-Q150 PolarHBondContact O-N 2.81Å; Q150-K154 HydrophobicContact CB-CB 4.27Å; Q150-K154 PolarHBondContact OE1-O 3.2Å; Q150-K154 VanDerWaalsContact OE1-O 3.08Å; Q150-I155 HydrophobicContact CB-CG1 3.66Å; Q150-I155 VanDerWaalsContact O-CD1 3.31Å; Q150-I155 WeakPolarHBondContact O-CD1 3.38Å
151A69.4Low73.7Confident68 Ų6867.7 Ų67.756%0.56237%0.371SS*.  trans-57.7151.5168.900000111G153 K154 I155A151-G153 VanDerWaalsContact C-N 3.32Å; A151-G153 PolarHBondContact O-N 3.24Å; A151-G153 VanDerWaalsContact O-N 3.17Å; A151-K154 HydrophobicContact CB-CG 4.47Å; A151-K154 PolarHBondContact O-N 3.12Å; A151-I155 PolarHBondContact O-N 3.2Å
152S67Low73.9Confident15 Ų1567 Ų6711%0.10537%0.369CS..G310 helixtrans-45.4-51.6-176.1-67.80000113.4K42 K154 I155 E237K42-S152 WeakPolarHBondContact CE-OG 3.4Å; K42-S152 PolarHBondContact NZ-OG 3.04Å; S152-K154 PolarHBondContact O-N 3.2Å; S152-K154 VanDerWaalsContact O-N 3.1Å; S152-I155 PolarHBondContact O-N 3.35Å; S152-E237 VanDerWaalsContact CB-CD 3.44Å; S152-E237 WeakPolarHBondContact CB-OE1 3.47Å; S152-E237 PolarHBondContact OG-OE1 2.81Å
153G73.1Confident74.5Confident25 Ų2567.5 Ų67.526%0.25838%0.375SS..G310 helixtrans-73.35.1-179.500000116.4A151A151-G153 VanDerWaalsContact C-N 3.32Å; A151-G153 PolarHBondContact O-N 3.24Å; A151-G153 VanDerWaalsContact O-N 3.17Å
154K73.4Confident75.3Confident150 Ų15059 Ų5965%0.65234%0.336SS*.G310 helixtrans-112.4-13.4176.8-60.7-60.2-177.5-173.70113.1Q150 A151 S152 N156Q150-K154 HydrophobicContact CB-CB 4.27Å; Q150-K154 PolarHBondContact OE1-O 3.2Å; Q150-K154 VanDerWaalsContact OE1-O 3.08Å; A151-K154 HydrophobicContact CB-CG 4.47Å; A151-K154 PolarHBondContact O-N 3.12Å; S152-K154 PolarHBondContact O-N 3.2Å; S152-K154 VanDerWaalsContact O-N 3.1Å; K154-N156 PolarHBondContact O-N 3.23Å
155I67.6Low76.2Confident14 Ų1454.7 Ų54.77%0.07232%0.317CS..THydrogen-bonded Turntrans-74.6124.4-174.9-70.6162.2000110.8R37 F147 Q150 A151 S152 Q157R37-I155 VanDerWaalsContact NH2-CG2 3.31Å; F147-I155 HydrophobicContact CD2-CG2 4.28Å; F147-I155 HydrophobicContact CE2-CG2 3.52Å; F147-I155 HydrophobicContact CZ-CG2 4.11Å; Q150-I155 HydrophobicContact CB-CG1 3.66Å; Q150-I155 VanDerWaalsContact O-CD1 3.31Å; Q150-I155 WeakPolarHBondContact O-CD1 3.38Å; A151-I155 PolarHBondContact O-N 3.2Å; S152-I155 PolarHBondContact O-N 3.35Å; I155-Q157 VanDerWaalsContact C-N 3.33Å; I155-Q157 PolarHBondContact O-N 3.01Å; I155-Q157 PolarHBondContact O-NE2 3.22Å
156N68Low77.5Confident6 Ų650.3 Ų50.33%0.03229%0.287CS..THydrogen-bonded Turntrans45.747.8170.8-160.134.3000115.8F147 K154 S158 F205F147-N156 HydrophobicContact CE2-CB 4.39Å; K154-N156 PolarHBondContact O-N 3.23Å; N156-S158 PolarHBondContact O-N 3.31Å; N156-F205 HydrophobicContact CB-CD1 3.96Å; N156-F205 HydrophobicContact CB-CE1 3.85Å; N156-F205 WeakPolarHBondContact ND2-CD1 3.43Å; N156-F205 VanDerWaalsContact ND2-CG 3.34Å; N156-F205 WeakPolarHBondContact ND2-CG 3.47Å
157Q75.1Confident78.9Confident40 Ų4048.2 Ų48.219%0.18727%0.272CS..THydrogen-bonded Turntrans-80.610.7-177.8-53.3-67.1-42.700113.3I155 T233 V234 H235I155-Q157 VanDerWaalsContact C-N 3.33Å; I155-Q157 PolarHBondContact O-N 3.01Å; I155-Q157 PolarHBondContact O-NE2 3.22Å; Q157-T233 PolarHBondContact O-OG1 2.82Å; Q157-V234 HydrophobicContact CB-CG1 4.44Å; Q157-V234 VanDerWaalsContact OE1-CG1 3.31Å; Q157-H235 PolarHBondContact NE2-O 3.1Å; Q157-H235 VanDerWaalsContact NE2-O 3.08Å
158S76.4Confident80.1Confident78 Ų7848 Ų4855%0.54527%0.271SS..THydrogen-bonded Turntrans-98.16-17461.30000114.2K144 N156K144-S158 PolarHBondContact NZ-OG 3.06Å; N156-S158 PolarHBondContact O-N 3.31Å
159G78.8Confident81.6Confident2 Ų243.4 Ų43.42%0.02125%0.246CC..  trans97.8-155.4177.500000114N203 F205G159-N203 WeakPolarHBondContact CA-O 3.1Å; G159-F205 WeakPolarHBondContact O-CB 3.41Å
160A83.4Confident83Confident75 Ų7535.8 Ų35.862%0.6221%0.213SC*.  trans-52.9139.6-168.700000114.4
161N89.6Confident84.4Confident43 Ų4333.8 Ų33.823%0.2321%0.205CC..  trans-153.873.4173.3-171.6-14.5000109.2A163 F164 Y165 F205N161-A163 VanDerWaalsContact C-N 3.28Å; N161-A163 PolarHBondContact O-N 3.47Å; N161-F164 HydrophobicContact CB-CB 4.15Å; N161-F164 WeakPolarHBondContact ND2-CB 3.29Å; N161-F164 PolarHBondContact O-N 3.33Å; N161-F164 VanDerWaalsContact O-N 3.08Å; N161-F164 WeakPolarHBondContact OD1-CB 3.32Å; N161-F164 PolarHBondContact OD1-N 2.98Å; N161-F164 VanDerWaalsContact OD1-N 3.16Å; N161-Y165 PolarHBondContact O-N 3.43Å; N161-F205 HydrophobicContact CB-CB 4.35Å
162D92.7Very high85.8Confident60 Ų6030.8 Ų30.832%0.32118%0.179SC..Hα-helixtrans-63.6-33.6-171.9-59.8-19.3000112.5W130 I137 F164 Y165 K166W130-D162 HydrophobicContact CH2-CB 3.98Å; W130-D162 HydrophobicContact CZ2-CB 4.02Å; I137-D162 HydrophobicContact CD1-CB 4.37Å; I137-D162 HydrophobicContact CG1-CB 4.45Å; I137-D162 HydrophobicContact CG2-CB 4.11Å; D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 3.1Å; D162-Y165 PolarHBondContact O-N 2.72Å; D162-K166 VanDerWaalsContact O-CB 3.25Å; D162-K166 WeakPolarHBondContact O-CB 3.42Å; D162-K166 PolarHBondContact O-N 2.99Å
163A94.2Very high87.3Confident29 Ų2930 Ų3024%0.2417%0.174CC..Hα-helixtrans-60.8-43.1174.100000111.4V138 P139 A140 N161 W167V138-A163 WeakPolarHBondContact O-CB 3.44Å; P139-A163 WeakPolarHBondContact CA-O 3.4Å; A140-A163 HydrophobicContact CB-CB 4.21Å; A140-A163 PolarHBondContact N-O 3.3Å; A140-A163 CarbonylContact O-C 3.57Å; N161-A163 VanDerWaalsContact C-N 3.28Å; N161-A163 PolarHBondContact O-N 3.47Å; A163-W167 VanDerWaalsContact O-CB 3.31Å; A163-W167 WeakPolarHBondContact O-CB 3.29Å; A163-W167 PolarHBondContact O-N 3.07Å
164F92.8Very high88.4Confident6 Ų634 Ų343%0.02619%0.189CC..Hα-helixtrans-71.4-42.4175.9179.2-117.9000112.7F36 A140 N142 F147 N161 D162 K166 W167 F168 F205F36-F164 HydrophobicContact CE1-CE2 4.27Å; F36-F164 HydrophobicContact CE1-CZ 4.03Å; F36-F164 HydrophobicContact CZ-CE2 4.2Å; F36-F164 HydrophobicContact CZ-CZ 4.04Å; A140-F164 WeakPolarHBondContact O-CA 3.29Å; A140-F164 PolarHBondContact O-N 3.46Å; N142-F164 HydrophobicContact CB-CB 4.42Å; N142-F164 HydrophobicContact CB-CD1 4.33Å; N142-F164 HydrophobicContact CB-CD2 3.67Å; N142-F164 HydrophobicContact CB-CE2 4.01Å; N142-F164 HydrophobicContact CB-CG 3.86Å; N142-F164 VanDerWaalsContact N-CD2 3.33Å; F147-F164 HydrophobicContact CE1-CE1 4.12Å; F147-F164 AromaticContact CE1-CE2 3.68Å; F147-F164 HydrophobicContact CE1-CE2 3.68Å; F147-F164 AromaticContact CE1-CZ 3.39Å; F147-F164 HydrophobicContact CE1-CZ 3.39Å; F147-F164 HydrophobicContact CE2-CE1 4.18Å; F147-F164 HydrophobicContact CE2-CZ 4.27Å; F147-F164 HydrophobicContact CZ-CD1 4.31Å; F147-F164 AromaticContact CZ-CE1 3.4Å; F147-F164 HydrophobicContact CZ-CE1 3.4Å; F147-F164 AromaticContact CZ-CE2 3.84Å; F147-F164 HydrophobicContact CZ-CE2 3.84Å; F147-F164 AromaticContact CZ-CZ 3.13Å; F147-F164 HydrophobicContact CZ-CZ 3.13Å; N161-F164 HydrophobicContact CB-CB 4.15Å; N161-F164 WeakPolarHBondContact ND2-CB 3.29Å; N161-F164 PolarHBondContact O-N 3.33Å; N161-F164 VanDerWaalsContact O-N 3.08Å; N161-F164 WeakPolarHBondContact OD1-CB 3.32Å; N161-F164 PolarHBondContact OD1-N 2.98Å; N161-F164 VanDerWaalsContact OD1-N 3.16Å; D162-F164 VanDerWaalsContact C-N 3.32Å; D162-F164 PolarHBondContact O-N 3.1Å; F164-K166 PolarHBondContact O-N 2.83Å; F164-W167 HydrophobicContact CD2-CE3 4.23Å; F164-W167 AromaticContact CE2-CE3 3.94Å; F164-W167 HydrophobicContact CE2-CE3 3.94Å; F164-W167 HydrophobicContact CE2-CZ3 4.27Å; F164-W167 PolarHBondContact O-N 3.43Å; F164-F168 AromaticContact CD1-CD1 3.99Å; F164-F168 HydrophobicContact CD1-CD1 3.99Å; F164-F168 AromaticContact CD1-CE1 3.98Å; F164-F168 HydrophobicContact CD1-CE1 3.98Å; F164-F168 HydrophobicContact CD2-CD1 4.32Å; F164-F168 AromaticContact CE1-CD1 3.62Å; F164-F168 HydrophobicContact CE1-CD1 3.62Å; F164-F168 AromaticContact CE1-CE1 3.75Å; F164-F168 HydrophobicContact CE1-CE1 3.75Å; F164-F168 HydrophobicContact CE2-CD1 4Å; F164-F168 HydrophobicContact CG-CD1 4.3Å; F164-F168 AromaticContact CZ-CD1 3.6Å; F164-F168 HydrophobicContact CZ-CD1 3.6Å; F164-F168 HydrophobicContact CZ-CE1 4.21Å; F164-F168 WeakPolarHBondContact O-CD1 3.42Å; F164-F168 PolarHBondContact O-N 3.26Å; F164-F168 VanDerWaalsContact O-N 3.12Å; F164-F205 HydrophobicContact CE1-CE2 4.47Å
165Y94Very high89.5Confident1 Ų131.8 Ų31.80%0.00418%0.181CC..Hα-helixtrans-54.8-51.8174.8-172.7-101.3000111.2I124 I125 W130 N161 D162 W167 F168 I169 F205 V206 P207I124-Y165 HydrophobicContact CG2-CE2 3.78Å; I124-Y165 WeakPolarHBondContact CG2-OH 3.21Å; I125-Y165 PolarHBondContact O-OH 3.16Å; I125-Y165 VanDerWaalsContact O-OH 3.06Å; W130-Y165 AromaticContact CD2-CD1 3.91Å; W130-Y165 HydrophobicContact CD2-CD1 3.91Å; W130-Y165 AromaticContact CD2-CE1 3.74Å; W130-Y165 HydrophobicContact CD2-CE1 3.74Å; W130-Y165 AromaticContact CE2-CD1 3.95Å; W130-Y165 AromaticContact CE3-CD1 3.74Å; W130-Y165 HydrophobicContact CE3-CD1 3.74Å; W130-Y165 AromaticContact CE3-CE1 3.81Å; W130-Y165 HydrophobicContact CE3-CE1 3.81Å; W130-Y165 HydrophobicContact CG-CE1 4.18Å; W130-Y165 AromaticContact CH2-CD1 3.72Å; W130-Y165 HydrophobicContact CH2-CD1 3.72Å; W130-Y165 AromaticContact CZ2-CD1 3.86Å; W130-Y165 HydrophobicContact CZ2-CD1 3.86Å; W130-Y165 HydrophobicContact CZ2-CE1 4.45Å; W130-Y165 AromaticContact CZ3-CD1 3.66Å; W130-Y165 HydrophobicContact CZ3-CD1 3.66Å; W130-Y165 HydrophobicContact CZ3-CE1 4.23Å; N161-Y165 PolarHBondContact O-N 3.43Å; D162-Y165 PolarHBondContact O-N 2.72Å; Y165-W167 VanDerWaalsContact C-N 3.31Å; Y165-W167 PolarHBondContact O-N 3.45Å; Y165-F168 VanDerWaalsContact CA-CE1 3.44Å; Y165-F168 HydrophobicContact CD2-CE1 4.07Å; Y165-F168 HydrophobicContact CD2-CE2 4.11Å; Y165-F168 AromaticContact CD2-CZ 3.35Å; Y165-F168 HydrophobicContact CD2-CZ 3.35Å; Y165-F168 HydrophobicContact CE2-CE2 4.27Å; Y165-F168 AromaticContact CE2-CZ 3.84Å; Y165-F168 HydrophobicContact CE2-CZ 3.84Å; Y165-F168 HydrophobicContact CG-CZ 4.07Å; Y165-I169 HydrophobicContact CD1-CD1 3.61Å; Y165-I169 HydrophobicContact CD2-CD1 4.36Å; Y165-I169 HydrophobicContact CE1-CD1 3.15Å; Y165-I169 HydrophobicContact CE2-CD1 3.95Å; Y165-I169 HydrophobicContact CG-CD1 4.19Å; Y165-I169 WeakPolarHBondContact O-CG1 3.24Å; Y165-I169 PolarHBondContact O-N 2.99Å; Y165-F205 HydrophobicContact CD2-CD2 4.15Å; Y165-F205 WeakPolarHBondContact CD2-O 3.39Å; Y165-V206 HydrophobicContact CD2-CG2 4.39Å; Y165-V206 HydrophobicContact CE2-CB 4.27Å; Y165-V206 HydrophobicContact CE2-CG1 4.12Å; Y165-V206 HydrophobicContact CE2-CG2 4.06Å; Y165-P207 HydrophobicContact CD1-CG 4.1Å; Y165-P207 HydrophobicContact CE1-CG 3.75Å; Y165-P207 HydrophobicContact CE2-CG 4.44Å
166K96Very high91Very high16 Ų1634.4 Ų34.47%0.0720%0.195CC..Hα-helixtrans-60.8-40.2177-163.3168.7-178.7178.20112.2W130 V131 H134 I137 P139 D162 F164 L170W130-K166 HydrophobicContact CH2-CB 4.16Å; W130-K166 HydrophobicContact CZ3-CB 3.76Å; W130-K166 HydrophobicContact CZ3-CD 4.28Å; W130-K166 HydrophobicContact CZ3-CG 4.02Å; V131-K166 HydrophobicContact CG2-CG 4.45Å; H134-K166 PolarHBondContact O-NZ 3.18Å; I137-K166 HydrophobicContact CB-CD 3.94Å; I137-K166 HydrophobicContact CG2-CB 4.3Å; I137-K166 HydrophobicContact CG2-CD 3.9Å; I137-K166 VanDerWaalsContact O-CD 3.26Å; I137-K166 WeakPolarHBondContact O-CD 3.45Å; I137-K166 WeakPolarHBondContact O-CE 3.14Å; I137-K166 PolarHBondContact O-NZ 2.92Å; P139-K166 HydrophobicContact CB-CB 4.25Å; P139-K166 HydrophobicContact CB-CG 4.18Å; D162-K166 VanDerWaalsContact O-CB 3.25Å; D162-K166 WeakPolarHBondContact O-CB 3.42Å; D162-K166 PolarHBondContact O-N 2.99Å; F164-K166 PolarHBondContact O-N 2.83Å; K166-L170 HydrophobicContact CG-CD1 3.8Å; K166-L170 HydrophobicContact CG-CG 4.47Å; K166-L170 WeakPolarHBondContact O-CB 3.41Å; K166-L170 VanDerWaalsContact O-CG 3.31Å; K166-L170 WeakPolarHBondContact O-CG 2.99Å; K166-L170 PolarHBondContact O-N 3.48Å; K166-L170 VanDerWaalsContact O-N 3.07Å
167W96Very high92.3Very high48 Ų4837.7 Ų37.718%0.18221%0.212CC..Hα-helixtrans-62.1-52.3-178.5-179.886.9000112.9F36 P139 M141 A163 F164 Y165 I169 L170 N171F36-W167 HydrophobicContact CD1-CH2 4.47Å; F36-W167 AromaticContact CD1-CZ3 3.82Å; F36-W167 HydrophobicContact CD1-CZ3 3.82Å; F36-W167 HydrophobicContact CD2-CH2 4.36Å; F36-W167 HydrophobicContact CD2-CZ3 4.32Å; F36-W167 AromaticContact CE1-CZ3 3.81Å; F36-W167 HydrophobicContact CE1-CZ3 3.81Å; F36-W167 HydrophobicContact CE2-CZ3 4.27Å; F36-W167 HydrophobicContact CG-CH2 4.34Å; F36-W167 HydrophobicContact CG-CZ3 4.13Å; F36-W167 HydrophobicContact CZ-CZ3 4.05Å; P139-W167 HydrophobicContact CB-CB 3.91Å; M141-W167 HydrophobicContact CB-CD2 4.03Å; M141-W167 HydrophobicContact CB-CE3 4.35Å; M141-W167 HydrophobicContact CB-CZ2 4.16Å; M141-W167 HydrophobicContact CE-CH2 3.47Å; M141-W167 VanDerWaalsContact CE-CH2 3.47Å; M141-W167 HydrophobicContact CE-CZ2 4.19Å; M141-W167 HydrophobicContact CE-CZ3 3.88Å; M141-W167 HydrophobicContact CG-CD2 4.29Å; M141-W167 HydrophobicContact CG-CE3 4.14Å; M141-W167 HydrophobicContact CG-CH2 3.93Å; M141-W167 HydrophobicContact CG-CZ2 4.03Å; M141-W167 HydrophobicContact CG-CZ3 3.97Å; M141-W167 HydrophobicContact SD-CH2 3.65Å; M141-W167 HydrophobicContact SD-CZ2 3.74Å; M141-W167 HydrophobicContact SD-CZ3 4.25Å; A163-W167 VanDerWaalsContact O-CB 3.31Å; A163-W167 WeakPolarHBondContact O-CB 3.29Å; A163-W167 PolarHBondContact O-N 3.07Å; F164-W167 HydrophobicContact CD2-CE3 4.23Å; F164-W167 AromaticContact CE2-CE3 3.94Å; F164-W167 HydrophobicContact CE2-CE3 3.94Å; F164-W167 HydrophobicContact CE2-CZ3 4.27Å; F164-W167 PolarHBondContact O-N 3.43Å; Y165-W167 VanDerWaalsContact C-N 3.31Å; Y165-W167 PolarHBondContact O-N 3.45Å; W167-I169 VanDerWaalsContact C-N 3.32Å; W167-I169 PolarHBondContact O-N 3.41Å; W167-L170 PolarHBondContact O-N 3.45Å; W167-N171 WeakPolarHBondContact O-CB 3.37Å; W167-N171 PolarHBondContact O-N 3.27Å
168F94.6Very high93.4Very high2 Ų243.5 Ų43.51%0.00924%0.237CC..Hα-helixtrans-71.7-30-175.865.3-112.9000112.2W35 F36 I124 F164 Y165 N171 Y172 F205W35-F168 HydrophobicContact CE3-CD2 4.28Å; W35-F168 AromaticContact CZ3-CD2 3.86Å; W35-F168 HydrophobicContact CZ3-CD2 3.86Å; W35-F168 HydrophobicContact CZ3-CE2 4.08Å; F36-F168 HydrophobicContact CD1-CB 3.94Å; F36-F168 HydrophobicContact CE1-CB 3.9Å; I124-F168 HydrophobicContact CD1-CD2 4.23Å; I124-F168 HydrophobicContact CD1-CE2 3.46Å; I124-F168 VanDerWaalsContact CD1-CE2 3.46Å; I124-F168 HydrophobicContact CD1-CZ 3.92Å; I124-F168 HydrophobicContact CG1-CE2 4.15Å; I124-F168 HydrophobicContact CG1-CZ 4.36Å; I124-F168 HydrophobicContact CG2-CE2 4.07Å; F164-F168 AromaticContact CD1-CD1 3.99Å; F164-F168 HydrophobicContact CD1-CD1 3.99Å; F164-F168 AromaticContact CD1-CE1 3.98Å; F164-F168 HydrophobicContact CD1-CE1 3.98Å; F164-F168 HydrophobicContact CD2-CD1 4.32Å; F164-F168 AromaticContact CE1-CD1 3.62Å; F164-F168 HydrophobicContact CE1-CD1 3.62Å; F164-F168 AromaticContact CE1-CE1 3.75Å; F164-F168 HydrophobicContact CE1-CE1 3.75Å; F164-F168 HydrophobicContact CE2-CD1 4Å; F164-F168 HydrophobicContact CG-CD1 4.3Å; F164-F168 AromaticContact CZ-CD1 3.6Å; F164-F168 HydrophobicContact CZ-CD1 3.6Å; F164-F168 HydrophobicContact CZ-CE1 4.21Å; F164-F168 WeakPolarHBondContact O-CD1 3.42Å; F164-F168 PolarHBondContact O-N 3.26Å; F164-F168 VanDerWaalsContact O-N 3.12Å; Y165-F168 VanDerWaalsContact CA-CE1 3.44Å; Y165-F168 HydrophobicContact CD2-CE1 4.07Å; Y165-F168 HydrophobicContact CD2-CE2 4.11Å; Y165-F168 AromaticContact CD2-CZ 3.35Å; Y165-F168 HydrophobicContact CD2-CZ 3.35Å; Y165-F168 HydrophobicContact CE2-CE2 4.27Å; Y165-F168 AromaticContact CE2-CZ 3.84Å; Y165-F168 HydrophobicContact CE2-CZ 3.84Å; Y165-F168 HydrophobicContact CG-CZ 4.07Å; F168-N171 PolarHBondContact O-N 3.46Å; F168-Y172 PolarHBondContact O-N 3.28Å; F168-F205 HydrophobicContact CE1-CD2 4.3Å; F168-F205 AromaticContact CE1-CE2 3.73Å; F168-F205 HydrophobicContact CE1-CE2 3.73Å; F168-F205 AromaticContact CZ-CE2 3.98Å; F168-F205 HydrophobicContact CZ-CE2 3.98Å
169I96.3Very high94.4Very high1 Ų141.7 Ų41.71%0.00522%0.221CC..Hα-helixtrans-63.9-47.1174.5-72.1177.9000110.2W35 I124 L127 V131 Y165 W167 N171 Y172 L180W35-I169 HydrophobicContact CZ3-CG1 4.46Å; I124-I169 HydrophobicContact CG2-CD1 4Å; I124-I169 HydrophobicContact CG2-CG1 4.19Å; L127-I169 HydrophobicContact CB-CG2 4.22Å; L127-I169 HydrophobicContact CD2-CD1 3.86Å; L127-I169 HydrophobicContact CD2-CG1 4.14Å; L127-I169 HydrophobicContact CD2-CG2 4.44Å; V131-I169 HydrophobicContact CG2-CG2 3.98Å; Y165-I169 HydrophobicContact CD1-CD1 3.61Å; Y165-I169 HydrophobicContact CD2-CD1 4.36Å; Y165-I169 HydrophobicContact CE1-CD1 3.15Å; Y165-I169 HydrophobicContact CE2-CD1 3.95Å; Y165-I169 HydrophobicContact CG-CD1 4.19Å; Y165-I169 WeakPolarHBondContact O-CG1 3.24Å; Y165-I169 PolarHBondContact O-N 2.99Å; W167-I169 VanDerWaalsContact C-N 3.32Å; W167-I169 PolarHBondContact O-N 3.41Å; I169-N171 VanDerWaalsContact C-N 3.34Å; I169-Y172 WeakPolarHBondContact O-CB 3.37Å; I169-Y172 PolarHBondContact O-N 2.88Å; I169-L180 HydrophobicContact CG2-CD1 3.35Å; I169-L180 HydrophobicContact CG2-CD2 4.46Å
170L97.5Very high95.3Very high8 Ų841.6 Ų41.64%0.04222%0.22CC..Hα-helixtrans-69.8-33.1177.8-69.6172.1000112V131 P139 K166 W167 Y172 V173 N174 Q175 I177 L180V131-L170 HydrophobicContact CG1-CD2 4.18Å; P139-L170 HydrophobicContact CB-CD1 4.18Å; P139-L170 HydrophobicContact CG-CD1 4.04Å; K166-L170 HydrophobicContact CG-CD1 3.8Å; K166-L170 HydrophobicContact CG-CG 4.47Å; K166-L170 WeakPolarHBondContact O-CB 3.41Å; K166-L170 VanDerWaalsContact O-CG 3.31Å; K166-L170 WeakPolarHBondContact O-CG 2.99Å; K166-L170 PolarHBondContact O-N 3.48Å; K166-L170 VanDerWaalsContact O-N 3.07Å; W167-L170 PolarHBondContact O-N 3.45Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 2.88Å; L170-V173 CarbonylContact O-C 3.47Å; L170-V173 PolarHBondContact O-N 3.06Å; L170-N174 PolarHBondContact O-N 2.99Å; L170-N174 VanDerWaalsContact O-N 3.1Å; L170-Q175 VanDerWaalsContact CB-OE1 3.31Å; L170-Q175 PolarHBondContact O-N 3.28Å; L170-I177 HydrophobicContact CD2-CD1 3.97Å; L170-L180 HydrophobicContact CD2-CD2 4.21Å
171N97Very high95.9Very high22 Ų2244 Ų4412%0.11822%0.216CC..Hα-helixtrans-63.3-36.7173.8-171.772.1000112.1W167 F168 I169 V173 N174W167-N171 WeakPolarHBondContact O-CB 3.37Å; W167-N171 PolarHBondContact O-N 3.27Å; F168-N171 PolarHBondContact O-N 3.46Å; I169-N171 VanDerWaalsContact C-N 3.34Å; N171-V173 PolarHBondContact O-N 2.98Å; N171-V173 VanDerWaalsContact O-N 3.16Å; N171-N174 PolarHBondContact O-N 3.34Å
172Y98.1Very high96.3Very high5 Ų547 Ų472%0.0223%0.229CC..Hα-helixtrans-60-25.6178.4-177.1-135.6000113.4W35 I69 F70 A73 F168 I169 L170 A183W35-Y172 HydrophobicContact CB-CD2 3.49Å; W35-Y172 VanDerWaalsContact CB-CD2 3.49Å; W35-Y172 HydrophobicContact CB-CE2 3.86Å; W35-Y172 HydrophobicContact CB-CG 4.21Å; W35-Y172 AromaticContact CD1-CE2 3.63Å; W35-Y172 AromaticContact CD1-CZ 3.89Å; W35-Y172 HydrophobicContact CD2-CD1 4.03Å; W35-Y172 AromaticContact CD2-CD2 3.85Å; W35-Y172 HydrophobicContact CD2-CD2 3.85Å; W35-Y172 HydrophobicContact CD2-CE1 4.27Å; W35-Y172 HydrophobicContact CD2-CE2 4.12Å; W35-Y172 AromaticContact CD2-CG 3.8Å; W35-Y172 HydrophobicContact CD2-CG 3.8Å; W35-Y172 HydrophobicContact CE3-CD1 4.07Å; W35-Y172 HydrophobicContact CE3-CD2 4.24Å; W35-Y172 AromaticContact CE3-CG 3.79Å; W35-Y172 HydrophobicContact CE3-CG 3.79Å; W35-Y172 AromaticContact CG-CD2 3.52Å; W35-Y172 HydrophobicContact CG-CD2 3.52Å; W35-Y172 AromaticContact CG-CE2 3.61Å; W35-Y172 HydrophobicContact CG-CE2 3.61Å; W35-Y172 AromaticContact CG-CG 4Å; W35-Y172 HydrophobicContact CG-CG 4Å; W35-Y172 HydrophobicContact CH2-CD1 4.45Å; W35-Y172 HydrophobicContact CZ2-CD1 4.42Å; W35-Y172 HydrophobicContact CZ2-CE1 4.34Å; W35-Y172 HydrophobicContact CZ3-CD1 4.29Å; W35-Y172 HydrophobicContact CZ3-CG 4.4Å; W35-Y172 AromaticContact NE1-CZ 3.91Å; I69-Y172 WeakPolarHBondContact CA-O 3.48Å; I69-Y172 VanDerWaalsContact CB-O 3.32Å; I69-Y172 WeakPolarHBondContact CB-O 3.26Å; F70-Y172 HydrophobicContact CB-CD1 4.28Å; F70-Y172 HydrophobicContact CB-CD2 4.45Å; F70-Y172 HydrophobicContact CB-CE1 3.93Å; F70-Y172 HydrophobicContact CB-CE2 4.1Å; F70-Y172 AromaticContact CD2-CE1 3.86Å; F70-Y172 HydrophobicContact CD2-CE1 3.86Å; F70-Y172 AromaticContact CD2-CZ 3.87Å; F70-Y172 HydrophobicContact CG-CE1 4.31Å; F70-Y172 PolarHBondContact N-O 2.82Å; A73-Y172 HydrophobicContact CB-CE2 4.29Å; F168-Y172 PolarHBondContact O-N 3.28Å; I169-Y172 WeakPolarHBondContact O-CB 3.37Å; I169-Y172 PolarHBondContact O-N 2.88Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 2.88Å; Y172-A183 HydrophobicContact CD1-CB 4.35Å; Y172-A183 HydrophobicContact CE1-CB 4.13Å
173V98.2Very high96.5Very high0 Ų044.2 Ų44.20%021%0.214CC..THydrogen-bonded Turntrans-121.116.2-177.3-60.80000113.2F70 L170 N171 Q175 D176 L179 L180 A183F70-V173 HydrophobicContact CB-CG1 3.97Å; L170-V173 CarbonylContact O-C 3.47Å; L170-V173 PolarHBondContact O-N 3.06Å; N171-V173 PolarHBondContact O-N 2.98Å; N171-V173 VanDerWaalsContact O-N 3.16Å; V173-Q175 VanDerWaalsContact C-N 3.26Å; V173-Q175 PolarHBondContact O-N 3.18Å; V173-D176 WeakPolarHBondContact O-CB 3.26Å; V173-D176 PolarHBondContact O-N 3.26Å; V173-L179 HydrophobicContact CB-CB 4Å; V173-L179 HydrophobicContact CG1-CB 4.27Å; V173-L180 HydrophobicContact CG1-CD1 4.47Å; V173-L180 HydrophobicContact CG2-CB 4Å; V173-L180 HydrophobicContact CG2-CD1 4.09Å; V173-A183 HydrophobicContact CG1-CB 3.86Å
174N97.3Very high96.7Very high109 Ų10943.3 Ų43.358%0.58321%0.205SC*.THydrogen-bonded Turntrans47.745.3-175.9-166.134.6000113.7I69 L170 N171 D176I69-N174 HydrophobicContact CD1-CB 3.98Å; I69-N174 HydrophobicContact CG2-CB 3.97Å; L170-N174 PolarHBondContact O-N 2.99Å; L170-N174 VanDerWaalsContact O-N 3.1Å; N171-N174 PolarHBondContact O-N 3.34Å; N174-D176 PolarHBondContact O-N 3.23Å
175Q96.9Very high96.9Very high102 Ų10243 Ų4348%0.47720%0.204SC..THydrogen-bonded Turntrans64.24.2-179.3-50.1-74.9-1300115.1L170 V173 I177L170-Q175 VanDerWaalsContact CB-OE1 3.31Å; L170-Q175 PolarHBondContact O-N 3.28Å; V173-Q175 VanDerWaalsContact C-N 3.26Å; V173-Q175 PolarHBondContact O-N 3.18Å; Q175-I177 PolarHBondContact O-N 3.06Å
176D97.6Very high97.1Very high70 Ų7044.8 Ų44.837%0.37421%0.213SC..  trans-78.1107.6179.1-174.5-26.3000110.4V173 N174 K178 L179 L180V173-D176 WeakPolarHBondContact O-CB 3.26Å; V173-D176 PolarHBondContact O-N 3.26Å; N174-D176 PolarHBondContact O-N 3.23Å; D176-K178 VanDerWaalsContact C-N 3.27Å; D176-K178 PolarHBondContact O-N 3.3Å; D176-K178 WeakPolarHBondContact OD1-CA 3.35Å; D176-K178 VanDerWaalsContact OD1-CB 3.29Å; D176-K178 WeakPolarHBondContact OD1-CB 3.4Å; D176-K178 PolarHBondContact OD1-N 2.86Å; D176-L179 HydrophobicContact CB-CB 3.96Å; D176-L179 HydrophobicContact CB-CD1 3.99Å; D176-L179 HydrophobicContact CB-CG 4.03Å; D176-L179 PolarHBondContact O-N 3.41Å; D176-L179 PolarHBondContact OD1-N 2.8Å; D176-L179 VanDerWaalsContact OD1-N 3.1Å; D176-L180 PolarHBondContact O-N 2.97Å
177I96.6Very high97Very high74 Ų7448.3 Ų48.338%0.37924%0.24SC..Hα-helixtrans-65-28-179.7-59.2-57.2000112.7Y128 V131 L170 Q175 L180 K181Y128-I177 HydrophobicContact CD2-CG2 4.31Å; Y128-I177 HydrophobicContact CE2-CG2 3.65Å; V131-I177 HydrophobicContact CG1-CD1 4.36Å; L170-I177 HydrophobicContact CD2-CD1 3.97Å; Q175-I177 PolarHBondContact O-N 3.06Å; I177-L180 HydrophobicContact CD1-CD2 4.24Å; I177-L180 WeakPolarHBondContact O-CB 3.18Å; I177-L180 PolarHBondContact O-N 2.59Å; I177-K181 PolarHBondContact O-N 2.69Å; I177-K181 VanDerWaalsContact O-N 3.14Å
178K97Very high97Very high162 Ų16248.9 Ų48.970%0.70424%0.242SC*.Hα-helixtrans-71.9-42.7174.3-64.1-179.9-179.5175.80110.4D176 L180 K181 Q182D176-K178 VanDerWaalsContact C-N 3.27Å; D176-K178 PolarHBondContact O-N 3.3Å; D176-K178 WeakPolarHBondContact OD1-CA 3.35Å; D176-K178 VanDerWaalsContact OD1-CB 3.29Å; D176-K178 WeakPolarHBondContact OD1-CB 3.4Å; D176-K178 PolarHBondContact OD1-N 2.86Å; K178-L180 VanDerWaalsContact C-N 3.31Å; K178-K181 WeakPolarHBondContact O-CB 3.3Å; K178-K181 PolarHBondContact O-N 3.27Å; K178-Q182 PolarHBondContact O-N 2.95Å
179L97.3Very high97.2Very high40 Ų4049.6 Ų49.621%0.20925%0.247CC..Hα-helixtrans-65.8-35.8172.7-70.5-179000111.4I69 V173 D176 K181 Q182 A183I69-L179 HydrophobicContact CD1-CD1 4.15Å; V173-L179 HydrophobicContact CB-CB 4Å; V173-L179 HydrophobicContact CG1-CB 4.27Å; D176-L179 HydrophobicContact CB-CB 3.96Å; D176-L179 HydrophobicContact CB-CD1 3.99Å; D176-L179 HydrophobicContact CB-CG 4.03Å; D176-L179 PolarHBondContact O-N 3.41Å; D176-L179 PolarHBondContact OD1-N 2.8Å; D176-L179 VanDerWaalsContact OD1-N 3.1Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.83Å; L179-Q182 CarbonylContact O-C 3.52Å; L179-Q182 WeakPolarHBondContact O-CA 3.49Å; L179-Q182 WeakPolarHBondContact O-CB 3.01Å; L179-Q182 PolarHBondContact O-N 2.6Å; L179-A183 WeakPolarHBondContact O-CB 3.43Å; L179-A183 PolarHBondContact O-N 3.3Å
180L97.6Very high97.3Very high0 Ų051.4 Ų51.40%026%0.259CS..Hα-helixtrans-56.6-43.8173.7-172.260000112.1L127 Y128 V131 I169 L170 V173 D176 I177 K178 Q182 A183 D184L127-L180 HydrophobicContact CB-CD1 3.82Å; L127-L180 HydrophobicContact CB-CG 4.48Å; Y128-L180 HydrophobicContact CD2-CB 4.47Å; Y128-L180 HydrophobicContact CD2-CG 4.46Å; V131-L180 HydrophobicContact CB-CD2 3.73Å; V131-L180 HydrophobicContact CG1-CD2 3.81Å; V131-L180 HydrophobicContact CG2-CD2 3.81Å; I169-L180 HydrophobicContact CG2-CD1 3.35Å; I169-L180 HydrophobicContact CG2-CD2 4.46Å; L170-L180 HydrophobicContact CD2-CD2 4.21Å; V173-L180 HydrophobicContact CG1-CD1 4.47Å; V173-L180 HydrophobicContact CG2-CB 4Å; V173-L180 HydrophobicContact CG2-CD1 4.09Å; D176-L180 PolarHBondContact O-N 2.97Å; I177-L180 HydrophobicContact CD1-CD2 4.24Å; I177-L180 WeakPolarHBondContact O-CB 3.18Å; I177-L180 PolarHBondContact O-N 2.59Å; K178-L180 VanDerWaalsContact C-N 3.31Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 2.93Å; L180-A183 PolarHBondContact O-N 2.98Å; L180-D184 PolarHBondContact O-N 2.74Å; L180-D184 VanDerWaalsContact O-N 3.16Å
181K97.5Very high97.3Very high125 Ų12556.6 Ų56.654%0.54329%0.287SS..Hα-helixtrans-62-37.6175.8-164.6174.8-179.7177.50112.2Y128 I177 K178 L179Y128-K181 HydrophobicContact CD1-CG 4.21Å; Y128-K181 HydrophobicContact CD2-CB 3.48Å; Y128-K181 VanDerWaalsContact CD2-CB 3.48Å; Y128-K181 HydrophobicContact CD2-CD 4.47Å; Y128-K181 HydrophobicContact CD2-CG 3.94Å; Y128-K181 HydrophobicContact CE1-CD 4.27Å; Y128-K181 HydrophobicContact CE1-CG 4.41Å; Y128-K181 HydrophobicContact CE2-CB 3.75Å; Y128-K181 HydrophobicContact CE2-CD 4.15Å; Y128-K181 HydrophobicContact CE2-CG 4.11Å; Y128-K181 HydrophobicContact CG-CB 3.95Å; Y128-K181 HydrophobicContact CG-CG 3.98Å; I177-K181 PolarHBondContact O-N 2.69Å; I177-K181 VanDerWaalsContact O-N 3.14Å; K178-K181 WeakPolarHBondContact O-CB 3.3Å; K178-K181 PolarHBondContact O-N 3.27Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.83Å
182Q97.5Very high97.4Very high107 Ų10761.4 Ų61.450%0.531%0.313SS..Hα-helixtrans-72.5-34.1175.8-64.4173.932.700111.9F70 K178 L179 L180 D184 R188F70-Q182 HydrophobicContact CE1-CB 3.82Å; F70-Q182 HydrophobicContact CZ-CB 4.24Å; K178-Q182 PolarHBondContact O-N 2.95Å; L179-Q182 CarbonylContact O-C 3.52Å; L179-Q182 WeakPolarHBondContact O-CA 3.49Å; L179-Q182 WeakPolarHBondContact O-CB 3.01Å; L179-Q182 PolarHBondContact O-N 2.6Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 2.93Å; Q182-D184 PolarHBondContact O-N 3.15Å; Q182-R188 VanDerWaalsContact O-CZ 3.27Å; Q182-R188 PolarHBondContact O-NH1 2.96Å; Q182-R188 PolarHBondContact O-NH2 2.88Å
183A97.6Very high97.4Very high1 Ų161.7 Ų61.71%0.00832%0.316CS..Hα-helixtrans-72.2-15.1177.900000113.1F70 L127 Y172 V173 L179 L180 P185 R188F70-A183 HydrophobicContact CB-CB 4.43Å; F70-A183 HydrophobicContact CD1-CB 4.19Å; F70-A183 HydrophobicContact CD2-CB 3.69Å; F70-A183 HydrophobicContact CE1-CB 4.41Å; F70-A183 HydrophobicContact CE2-CB 3.95Å; F70-A183 HydrophobicContact CG-CB 3.82Å; F70-A183 HydrophobicContact CZ-CB 4.31Å; L127-A183 HydrophobicContact CD1-CB 4.15Å; L127-A183 WeakPolarHBondContact CD1-O 3.32Å; Y172-A183 HydrophobicContact CD1-CB 4.35Å; Y172-A183 HydrophobicContact CE1-CB 4.13Å; V173-A183 HydrophobicContact CG1-CB 3.86Å; L179-A183 WeakPolarHBondContact O-CB 3.43Å; L179-A183 PolarHBondContact O-N 3.3Å; L180-A183 PolarHBondContact O-N 2.98Å; A183-P185 WeakPolarHBondContact O-CD 3.45Å; A183-R188 VanDerWaalsContact C-NH2 3.29Å; A183-R188 PolarHBondContact O-NH2 2.99Å; A183-R188 VanDerWaalsContact O-NH2 3.16Å
184D97.2Very high97.4Very high11 Ų1161.8 Ų61.86%0.05932%0.317CS..  trans-72116.8179.3-161.3-44.6000112.1L127 Y128 L180 Q182 L186 S187 R188L127-D184 HydrophobicContact CB-CB 4.38Å; L127-D184 PolarHBondContact N-OD2 3Å; Y128-D184 PolarHBondContact N-OD2 3.43Å; L180-D184 PolarHBondContact O-N 2.74Å; L180-D184 VanDerWaalsContact O-N 3.16Å; Q182-D184 PolarHBondContact O-N 3.15Å; D184-L186 PolarHBondContact O-N 3.36Å; D184-L186 WeakPolarHBondContact OD1-CB 3.37Å; D184-L186 WeakPolarHBondContact OD1-CG 3.39Å; D184-L186 PolarHBondContact OD1-N 3.31Å; D184-S187 PolarHBondContact O-OG 3.22Å; D184-S187 VanDerWaalsContact O-OG 3.1Å; D184-R188 VanDerWaalsContact C-NH2 3.33Å; D184-R188 PolarHBondContact O-NH2 3.43Å
185P97.4Very high97.5Very high0 Ų057.4 Ų57.40%029%0.294CS..G310 helixtrans-64.8-23-176.725.5-34.9000113.3I108 E109 L112 I125 A183 S187 R188I108-P185 HydrophobicContact CG2-CB 4.38Å; E109-P185 HydrophobicContact CG-CB 4.36Å; E109-P185 VanDerWaalsContact OE1-CA 3.29Å; E109-P185 WeakPolarHBondContact OE1-CA 3.44Å; E109-P185 VanDerWaalsContact OE1-CB 3.27Å; E109-P185 WeakPolarHBondContact OE1-CB 3.48Å; L112-P185 HydrophobicContact CD1-CB 3.93Å; L112-P185 VanDerWaalsContact CD1-O 3.26Å; L112-P185 WeakPolarHBondContact CD1-O 3.14Å; I125-P185 HydrophobicContact CG2-CG 4.14Å; A183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-S187 PolarHBondContact O-N 3.43Å; P185-S187 VanDerWaalsContact O-N 3.11Å; P185-R188 WeakPolarHBondContact O-CB 3.24Å; P185-R188 PolarHBondContact O-N 2.8Å
186L97.2Very high97.5Very high37 Ų3752.6 Ų52.619%0.19427%0.271CS..G310 helixtrans-59.7-30-173.9-67.9172.5000112.5I125 D126 D184 R188 K213 L214I125-L186 HydrophobicContact CG2-CD2 3.93Å; I125-L186 HydrophobicContact CG2-CG 4.08Å; D126-L186 HydrophobicContact CB-CD1 4.27Å; D184-L186 PolarHBondContact O-N 3.36Å; D184-L186 WeakPolarHBondContact OD1-CB 3.37Å; D184-L186 WeakPolarHBondContact OD1-CG 3.39Å; D184-L186 PolarHBondContact OD1-N 3.31Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 3.25Å; L186-K213 HydrophobicContact CD1-CB 3.81Å; L186-K213 HydrophobicContact CD1-CD 3.99Å; L186-K213 HydrophobicContact CD2-CB 3.93Å; L186-L214 HydrophobicContact CD2-CB 3.91Å; L186-L214 HydrophobicContact CD2-CD1 4.25Å
187S94.1Very high97.6Very high90 Ų9049.4 Ų49.463%0.62925%0.254SS*.G310 helixtrans-72.8-14.8177.966.50000114.4D184 P185D184-S187 PolarHBondContact O-OG 3.22Å; D184-S187 VanDerWaalsContact O-OG 3.1Å; P185-S187 PolarHBondContact O-N 3.43Å; P185-S187 VanDerWaalsContact O-N 3.11Å
188R97Very high97.7Very high60 Ų6046 Ų4623%0.22624%0.237CC..G310 helixtrans-95.6-5.1-178.7-80.2175.3-81.3-78.14.8114E109 L112 Q182 A183 D184 P185 L186 S190E109-R188 VanDerWaalsContact CD-NE 3.25Å; E109-R188 IonicContact OE1-CZ 3.64Å; E109-R188 VanDerWaalsContact OE1-CZ 3.22Å; E109-R188 IonicContact OE1-NE 2.69Å; E109-R188 PolarHBondContact OE1-NE 3.25Å; E109-R188 IonicContact OE1-NH2 3.58Å; E109-R188 PolarHBondContact OE1-NH2 3.14Å; E109-R188 VanDerWaalsContact OE2-CD 3.29Å; E109-R188 WeakPolarHBondContact OE2-CD 3.5Å; E109-R188 IonicContact OE2-CZ 3.06Å; E109-R188 IonicContact OE2-NE 2.74Å; E109-R188 PolarHBondContact OE2-NE 3.44Å; E109-R188 IonicContact OE2-NH2 2.81Å; L112-R188 HydrophobicContact CB-CB 4.32Å; L112-R188 HydrophobicContact CD1-CB 4.13Å; Q182-R188 VanDerWaalsContact O-CZ 3.27Å; Q182-R188 PolarHBondContact O-NH1 2.96Å; Q182-R188 PolarHBondContact O-NH2 2.88Å; A183-R188 VanDerWaalsContact C-NH2 3.29Å; A183-R188 PolarHBondContact O-NH2 2.99Å; A183-R188 VanDerWaalsContact O-NH2 3.16Å; D184-R188 VanDerWaalsContact C-NH2 3.33Å; D184-R188 PolarHBondContact O-NH2 3.43Å; P185-R188 WeakPolarHBondContact O-CB 3.24Å; P185-R188 PolarHBondContact O-N 2.8Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 3.25Å; R188-S190 PolarHBondContact O-N 3.3Å
189V98.4Very high97.8Very high18 Ų1838.2 Ų38.211%0.10920%0.203CC..  trans-64.5127.8177.9-176.50000109.8L112 L214 A217 L218 N221L112-V189 HydrophobicContact CD1-CG2 4.03Å; L112-V189 HydrophobicContact CD2-CG2 3.94Å; V189-L214 HydrophobicContact CG2-CD1 3.73Å; V189-A217 HydrophobicContact CB-CB 4.09Å; V189-A217 HydrophobicContact CG1-CB 4.04Å; V189-A217 WeakPolarHBondContact CG1-O 3.28Å; V189-A217 HydrophobicContact CG2-CB 3.98Å; V189-L218 HydrophobicContact CG1-CD2 3.82Å; V189-L218 HydrophobicContact CG1-CG 4.27Å; V189-N221 HydrophobicContact CG1-CB 4.33Å
190S98.3Very high97.8Very high38 Ų3836.3 Ų36.327%0.26619%0.193SC..  trans-147.9173.1176.769.40000110.3R188 N192 S193 V223R188-S190 PolarHBondContact O-N 3.3Å; S190-N192 PolarHBondContact O-N 3.39Å; S190-N192 VanDerWaalsContact O-N 3.13Å; S190-N192 PolarHBondContact OG-N 3.35Å; S190-S193 PolarHBondContact N-OG 2.86Å; S190-S193 VanDerWaalsContact N-OG 3.11Å; S190-S193 VanDerWaalsContact O-CB 3.3Å; S190-S193 WeakPolarHBondContact O-CB 3.47Å; S190-S193 PolarHBondContact O-N 3.44Å; S190-S193 PolarHBondContact O-OG 3.12Å; S190-V223 WeakPolarHBondContact O-CG2 3.49Å
191N97.8Very high97.7Very high118 Ų11836.3 Ų36.363%0.63119%0.193SC*.THydrogen-bonded Turntrans-64.6-9.4173.265.6-8.1000114.5
192N97.9Very high97.6Very high123 Ų12333.6 Ų33.666%0.65818%0.184SC*.THydrogen-bonded Turntrans-93.1-3.9173.6-64.8-43.5000112.9G115 S190G115-N192 WeakPolarHBondContact CA-O 3.41Å; S190-N192 PolarHBondContact O-N 3.39Å; S190-N192 VanDerWaalsContact O-N 3.13Å; S190-N192 PolarHBondContact OG-N 3.35Å
193S98.6Very high97.3Very high11 Ų1133.5 Ų33.58%0.07719%0.187CC..PPolyproline II helixtrans-68.2144.8177.9-59.80000110.9L112 S190 V223L112-S193 WeakPolarHBondContact CD2-OG 3.3Å; L112-S193 PolarHBondContact O-OG 3.35Å; S190-S193 PolarHBondContact N-OG 2.86Å; S190-S193 VanDerWaalsContact N-OG 3.11Å; S190-S193 VanDerWaalsContact O-CB 3.3Å; S190-S193 WeakPolarHBondContact O-CB 3.47Å; S190-S193 PolarHBondContact O-N 3.44Å; S190-S193 PolarHBondContact O-OG 3.12Å; S193-V223 WeakPolarHBondContact O-CG1 3.3Å
194G98.5Very high97.1Very high2 Ų234 Ų342%0.02119%0.189CC..PPolyproline II helixtrans-78.2163.9178.700000112.3A111 G115 I116 I196 V223A111-G194 PolarHBondContact O-N 2.88Å; G115-G194 VanDerWaalsContact C-CA 3.48Å; I116-G194 WeakPolarHBondContact O-CA 3.33Å; G194-I196 WeakPolarHBondContact O-CG1 3.42Å; G194-V223 VanDerWaalsContact O-CG1 3.26Å; G194-V223 WeakPolarHBondContact O-CG1 3.46Å
195P98.7Very high96.8Very high17 Ų1733.7 Ų33.711%0.1119%0.187CC..PPolyproline II helixtrans-68.1139.1-179.629.8-35.2000111.1P117 A118 P224 F250 N254P117-P195 WeakPolarHBondContact CA-O 3.29Å; P117-P195 HydrophobicContact CB-CG 4.02Å; P117-P195 HydrophobicContact CG-CG 4.14Å; A118-P195 PolarHBondContact N-O 3.36Å; P195-P224 VanDerWaalsContact CA-O 3.27Å; P195-P224 WeakPolarHBondContact CA-O 3.21Å; P195-P224 HydrophobicContact CB-CB 4.09Å; P195-P224 HydrophobicContact CB-CG 4.45Å; P195-F250 HydrophobicContact CB-CE1 4.34Å; P195-F250 HydrophobicContact CB-CZ 3.81Å; P195-N254 HydrophobicContact CG-CB 3.87Å; P195-N254 VanDerWaalsContact CG-OD1 3.26Å; P195-N254 WeakPolarHBondContact CG-OD1 3.42Å
196I98.8Very high96.6Very high0 Ų033.9 Ų33.90%019%0.188CC..EExtended strand (participates in β ladder)trans-126.1127.2-173-54.8-177.6000112.5I108 A111 L112 A118 G194 I198 L218 P224 S225 E226I108-I196 HydrophobicContact CG1-CD1 4.49Å; I108-I196 HydrophobicContact CG1-CG2 4.14Å; I108-I196 HydrophobicContact CG2-CD1 4.12Å; A111-I196 HydrophobicContact CB-CD1 4.04Å; A111-I196 HydrophobicContact CB-CG1 4.01Å; L112-I196 HydrophobicContact CD2-CD1 3.83Å; L112-I196 HydrophobicContact CG-CD1 4.47Å; A118-I196 CarbonylContact O-C 3.48Å; A118-I196 WeakPolarHBondContact O-CA 3.32Å; G194-I196 WeakPolarHBondContact O-CG1 3.42Å; I196-I198 HydrophobicContact CG2-CD1 4.32Å; I196-I198 HydrophobicContact CG2-CG1 3.7Å; I196-L218 HydrophobicContact CB-CD1 4.25Å; I196-L218 HydrophobicContact CD1-CD1 4.14Å; I196-L218 HydrophobicContact CD1-CD2 4.25Å; I196-L218 HydrophobicContact CG1-CD1 4.46Å; I196-P224 PolarHBondContact N-O 2.85Å; I196-P224 VanDerWaalsContact N-O 3.14Å; I196-S225 CarbonylContact O-C 3.58Å; I196-S225 WeakPolarHBondContact O-CA 3.31Å; I196-S225 WeakPolarHBondContact O-CB 3.41Å; I196-E226 PolarHBondContact O-N 2.87Å
197F98.8Very high96.4Very high4 Ų433.3 Ų33.32%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-96.2131.9163.7175.7-90.8000110.5A118 A119 S120 A199 E226 K228 A246 A247 F250A118-F197 PolarHBondContact O-N 3.33Å; A119-F197 CarbonylContact C-O 3.57Å; A119-F197 WeakPolarHBondContact CA-O 3.35Å; A119-F197 HydrophobicContact CB-CB 4.29Å; A119-F197 HydrophobicContact CB-CD1 4.16Å; S120-F197 PolarHBondContact N-O 3.34Å; F197-A199 HydrophobicContact CE1-CB 3.74Å; F197-A199 HydrophobicContact CZ-CB 4.1Å; F197-E226 CarbonylContact C-O 3.58Å; F197-E226 WeakPolarHBondContact CA-O 3.28Å; F197-E226 HydrophobicContact CD2-CB 3.93Å; F197-K228 HydrophobicContact CE2-CB 4.18Å; F197-K228 HydrophobicContact CZ-CB 3.82Å; F197-K228 HydrophobicContact CZ-CD 4.4Å; F197-A246 HydrophobicContact CE2-CB 3.79Å; F197-A246 HydrophobicContact CZ-CB 3.76Å; F197-A247 HydrophobicContact CD1-CB 3.85Å; F197-A247 HydrophobicContact CE1-CB 3.81Å; F197-F250 HydrophobicContact CB-CB 4.05Å; F197-F250 HydrophobicContact CB-CD1 3.48Å; F197-F250 VanDerWaalsContact CB-CD1 3.48Å; F197-F250 HydrophobicContact CB-CD2 4.05Å; F197-F250 HydrophobicContact CB-CE1 3.83Å; F197-F250 HydrophobicContact CB-CE2 4.35Å; F197-F250 HydrophobicContact CB-CG 3.59Å; F197-F250 HydrophobicContact CB-CZ 4.24Å; F197-F250 HydrophobicContact CD2-CB 4.31Å; F197-F250 HydrophobicContact CD2-CG 4.44Å; F197-F250 HydrophobicContact CG-CB 4.37Å; F197-F250 HydrophobicContact CG-CG 4.36Å; F197-F250 VanDerWaalsContact N-CE1 3.32Å
198I98.5Very high96.5Very high1 Ų130.4 Ų30.41%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-124.7131.9-178.6-48167.6000108.8S120 I196 I211 L214 Q215 E226 A227 K228S120-I198 WeakPolarHBondContact O-CA 3.46Å; I196-I198 HydrophobicContact CG2-CD1 4.32Å; I196-I198 HydrophobicContact CG2-CG1 3.7Å; I198-I211 HydrophobicContact CD1-CG2 4.34Å; I198-I211 HydrophobicContact CG2-CD1 4.32Å; I198-I211 HydrophobicContact CG2-CG1 4Å; I198-I211 HydrophobicContact CG2-CG2 4.18Å; I198-L214 HydrophobicContact CD1-CD2 3.73Å; I198-L214 HydrophobicContact CD1-CG 4.21Å; I198-Q215 HydrophobicContact CD1-CG 4.16Å; I198-E226 PolarHBondContact N-O 2.89Å; I198-A227 CarbonylContact O-C 3.41Å; I198-A227 WeakPolarHBondContact O-CA 3.26Å; I198-K228 PolarHBondContact O-N 3.07Å
199A98.3Very high96.4Very high0 Ų029.2 Ų29.20%017%0.165CC..EExtended strand (participates in β ladder)trans-132.3134.4170.900000110.9S120 W121 S122 F197 K228 I230 Y239 A243S120-A199 PolarHBondContact O-N 3.3Å; W121-A199 CarbonylContact C-O 3.47Å; W121-A199 WeakPolarHBondContact CA-O 3.3Å; S122-A199 PolarHBondContact N-O 2.83Å; F197-A199 HydrophobicContact CE1-CB 3.74Å; F197-A199 HydrophobicContact CZ-CB 4.1Å; A199-K228 VanDerWaalsContact CA-O 3.28Å; A199-K228 WeakPolarHBondContact CA-O 3.34Å; A199-K228 HydrophobicContact CB-CB 4.13Å; A199-I230 HydrophobicContact CB-CD1 4.38Å; A199-Y239 HydrophobicContact CB-CE2 4.11Å; A199-Y239 PolarHBondContact O-OH 3.2Å; A199-A243 HydrophobicContact CB-CB 3.89Å
200N97.3Very high96.4Very high0 Ų028.4 Ų28.40%016%0.161CC..EExtended strand (participates in β ladder)trans-144.8153177.3-76.764.9000110.3S122 E204 L208 I211 K228 L229 I230S122-N200 WeakPolarHBondContact CA-ND2 3.34Å; N200-E204 VanDerWaalsContact CA-OE1 3.31Å; N200-E204 WeakPolarHBondContact CA-OE1 3.39Å; N200-E204 VanDerWaalsContact CB-OE1 3.25Å; N200-E204 WeakPolarHBondContact CB-OE1 3.47Å; N200-E204 PolarHBondContact ND2-OE1 2.96Å; N200-L208 HydrophobicContact CB-CD2 3.85Å; N200-I211 HydrophobicContact CB-CD1 3.39Å; N200-I211 VanDerWaalsContact OD1-CD1 3.24Å; N200-I211 WeakPolarHBondContact OD1-CD1 3.31Å; N200-K228 PolarHBondContact N-O 3.38Å; N200-K228 VanDerWaalsContact N-O 3.16Å; N200-L229 WeakPolarHBondContact O-CA 3.05Å; N200-I230 PolarHBondContact O-N 2.96Å
201S96.7Very high96.3Very high0 Ų026.7 Ų26.70%015%0.148CC..EExtended strand (participates in β ladder)trans-76.1150.4165.4-94.40000111.8N203 E204 I230 G232 V234S201-N203 PolarHBondContact O-N 3.21Å; S201-E204 PolarHBondContact N-OE1 3.28Å; S201-E204 WeakPolarHBondContact O-CG 2.87Å; S201-I230 CarbonylContact C-O 3.48Å; S201-I230 WeakPolarHBondContact CA-O 3.33Å; S201-I230 PolarHBondContact OG-O 3.39Å; S201-G232 WeakPolarHBondContact CB-O 3.06Å; S201-V234 WeakPolarHBondContact CB-O 3.25Å; S201-V234 WeakPolarHBondContact OG-CG2 3.22Å; S201-V234 PolarHBondContact OG-O 2.76Å; S201-V234 VanDerWaalsContact OG-O 3.07Å
202L95.1Very high96.3Very high67 Ų6726.9 Ų26.935%0.35114%0.141SC..THydrogen-bonded Turntrans-69.3-31.2-176.9-74.3174.3000113.3L208 L229 I230L202-L208 HydrophobicContact CD2-CD1 3.85Å; L202-L229 HydrophobicContact CD2-CB 3.75Å; L202-L229 HydrophobicContact CD2-CD1 3.98Å; L202-L229 HydrophobicContact CD2-CG 4.33Å; L202-L229 HydrophobicContact CG-CB 4.31Å; L202-I230 PolarHBondContact N-O 3.17Å
203N91.9Very high96.3Very high106 Ų10623.8 Ų23.857%0.56712%0.122SC*.THydrogen-bonded Turntrans-12531.1-175.1-60.2-49.8000112.4G159 S201 G232 T233G159-N203 WeakPolarHBondContact CA-O 3.1Å; S201-N203 PolarHBondContact O-N 3.21Å; N203-G232 WeakPolarHBondContact CA-O 3.3Å; N203-G232 WeakPolarHBondContact CB-O 3.27Å; N203-G232 PolarHBondContact N-O 3.48Å; N203-T233 HydrophobicContact CB-CG2 3.99Å; N203-T233 WeakPolarHBondContact O-CG2 2.99Å
204E92.4Very high96.3Very high11 Ų1123.2 Ų23.25%0.05112%0.118CC..SBendtrans-81.2-178173.567.5169.7126.200112.5S122 N200 S201 V206 H235S122-E204 VanDerWaalsContact CB-OE2 3.26Å; S122-E204 WeakPolarHBondContact CB-OE2 3.43Å; S122-E204 PolarHBondContact OG-OE1 2.99Å; S122-E204 PolarHBondContact OG-OE2 3.47Å; N200-E204 VanDerWaalsContact CA-OE1 3.31Å; N200-E204 WeakPolarHBondContact CA-OE1 3.39Å; N200-E204 VanDerWaalsContact CB-OE1 3.25Å; N200-E204 WeakPolarHBondContact CB-OE1 3.47Å; N200-E204 PolarHBondContact ND2-OE1 2.96Å; S201-E204 PolarHBondContact N-OE1 3.28Å; S201-E204 WeakPolarHBondContact O-CG 2.87Å; E204-V206 HydrophobicContact CG-CB 4.48Å; E204-H235 IonicContact OE2-CE1 3.04Å; E204-H235 IonicContact OE2-CG 3.36Å; E204-H235 IonicContact OE2-ND1 3.54Å; E204-H235 PolarHBondContact OE2-ND1 3.18Å
205F90.2Very high96.2Very high5 Ų525.8 Ų25.82%0.02213%0.129CC..SBendtrans-85.2-13.6179.874-93000115.1N156 G159 N161 F164 Y165 F168 P207 H235N156-F205 HydrophobicContact CB-CD1 3.96Å; N156-F205 HydrophobicContact CB-CE1 3.85Å; N156-F205 WeakPolarHBondContact ND2-CD1 3.43Å; N156-F205 VanDerWaalsContact ND2-CG 3.34Å; N156-F205 WeakPolarHBondContact ND2-CG 3.47Å; G159-F205 WeakPolarHBondContact O-CB 3.41Å; N161-F205 HydrophobicContact CB-CB 4.35Å; F164-F205 HydrophobicContact CE1-CE2 4.47Å; Y165-F205 HydrophobicContact CD2-CD2 4.15Å; Y165-F205 WeakPolarHBondContact CD2-O 3.39Å; F168-F205 HydrophobicContact CE1-CD2 4.3Å; F168-F205 AromaticContact CE1-CE2 3.73Å; F168-F205 HydrophobicContact CE1-CE2 3.73Å; F168-F205 AromaticContact CZ-CE2 3.98Å; F168-F205 HydrophobicContact CZ-CE2 3.98Å; F205-P207 WeakPolarHBondContact O-CD 3.48Å; F205-H235 HydrophobicContact CD1-CB 4.2Å; F205-H235 HydrophobicContact CE1-CB 3.7Å; F205-H235 AromaticContact CE1-CD2 3.42Å; F205-H235 VanDerWaalsContact CE1-CD2 3.42Å; F205-H235 WeakPolarHBondContact CE1-CD2 3.28Å; F205-H235 AromaticContact CE1-CE1 3.67Å; F205-H235 AromaticContact CE1-CG 3.21Å; F205-H235 AromaticContact CE1-ND1 3.37Å; F205-H235 WeakPolarHBondContact CE1-ND1 3.3Å; F205-H235 AromaticContact CE1-NE2 3.7Å; F205-H235 AromaticContact CZ-CD2 3.55Å; F205-H235 AromaticContact CZ-CE1 3.34Å; F205-H235 WeakPolarHBondContact CZ-CE1 3.41Å; F205-H235 AromaticContact CZ-CG 3.7Å; F205-H235 AromaticContact CZ-ND1 3.56Å; F205-H235 AromaticContact CZ-NE2 3.3Å; F205-H235 VanDerWaalsContact CZ-NE2 3.3Å; F205-H235 WeakPolarHBondContact CZ-NE2 3.42Å
206V94.5Very high96.2Very high3 Ų333.1 Ų33.12%0.01816%0.155CC..SBendtrans-84116.6169.7177.20000108I124 Y165 E204 H235I124-V206 HydrophobicContact CG1-CG2 4.26Å; Y165-V206 HydrophobicContact CD2-CG2 4.39Å; Y165-V206 HydrophobicContact CE2-CB 4.27Å; Y165-V206 HydrophobicContact CE2-CG1 4.12Å; Y165-V206 HydrophobicContact CE2-CG2 4.06Å; E204-V206 HydrophobicContact CG-CB 4.48Å; V206-H235 VanDerWaalsContact CG2-CE1 3.41Å; V206-H235 WeakPolarHBondContact CG2-CE1 3.26Å
207P93.7Very high96.2Very high26 Ų2633.9 Ų33.917%0.16916%0.161CC..  trans-61.1140.9-177.8-21.632.8000112.7W130 Y165 F205 S209W130-P207 HydrophobicContact CD2-CG 4.45Å; W130-P207 HydrophobicContact CG-CG 4.39Å; W130-P207 HydrophobicContact CZ2-CG 4.35Å; Y165-P207 HydrophobicContact CD1-CG 4.1Å; Y165-P207 HydrophobicContact CE1-CG 3.75Å; Y165-P207 HydrophobicContact CE2-CG 4.44Å; F205-P207 WeakPolarHBondContact O-CD 3.48Å; P207-S209 PolarHBondContact O-N 3.26Å
208L95.1Very high96.2Very high29 Ų2933.7 Ų33.715%0.15216%0.161CC..THydrogen-bonded Turntrans-70.3-15176.6-62.5-179.7000113.7N200 L202 G210 I211 Y212 L229N200-L208 HydrophobicContact CB-CD2 3.85Å; L202-L208 HydrophobicContact CD2-CD1 3.85Å; L208-G210 PolarHBondContact O-N 3.41Å; L208-G210 VanDerWaalsContact O-N 3.15Å; L208-I211 HydrophobicContact CD2-CD1 3.55Å; L208-I211 WeakPolarHBondContact O-CB 3.34Å; L208-I211 PolarHBondContact O-N 2.79Å; L208-Y212 HydrophobicContact CB-CD2 4.31Å; L208-Y212 HydrophobicContact CB-CE2 3.63Å; L208-Y212 VanDerWaalsContact O-CD2 3.26Å; L208-Y212 WeakPolarHBondContact O-CD2 3.29Å; L208-Y212 PolarHBondContact O-N 2.64Å; L208-L229 HydrophobicContact CD2-CD2 4.05Å
209S95.7Very high96.2Very high34 Ų3437 Ų3724%0.23819%0.188CC..Hα-helixtrans-53.7-36.4179.457.50000111.9D126 P207 Y212 K213D126-S209 WeakPolarHBondContact OD2-CB 3.39Å; D126-S209 PolarHBondContact OD2-OG 2.97Å; P207-S209 PolarHBondContact O-N 3.26Å; S209-Y212 PolarHBondContact O-N 2.78Å; S209-K213 WeakPolarHBondContact O-CB 3.29Å; S209-K213 VanDerWaalsContact O-CG 3.3Å; S209-K213 WeakPolarHBondContact O-CG 3.5Å; S209-K213 PolarHBondContact O-N 3.42Å
210G96.7Very high96.2Very high2 Ų243.1 Ų43.12%0.02122%0.217CC..Hα-helixtrans-60.3-42.1174.100000114.5I125 D126 L208 L214I125-G210 WeakPolarHBondContact CG2-O 3.43Å; D126-G210 VanDerWaalsContact CB-CA 3.49Å; L208-G210 PolarHBondContact O-N 3.41Å; L208-G210 VanDerWaalsContact O-N 3.15Å; G210-L214 WeakPolarHBondContact O-CB 3.2Å; G210-L214 PolarHBondContact O-N 2.76Å
211I96.8Very high96.2Very high2 Ų246.1 Ų46.11%0.0123%0.233CC..Hα-helixtrans-64.9-49.4178.3-52.7176.6000109.8I198 N200 L208 K213 L214 Q215 A227 L229I198-I211 HydrophobicContact CD1-CG2 4.34Å; I198-I211 HydrophobicContact CG2-CD1 4.32Å; I198-I211 HydrophobicContact CG2-CG1 4Å; I198-I211 HydrophobicContact CG2-CG2 4.18Å; N200-I211 HydrophobicContact CB-CD1 3.39Å; N200-I211 VanDerWaalsContact OD1-CD1 3.24Å; N200-I211 WeakPolarHBondContact OD1-CD1 3.31Å; L208-I211 HydrophobicContact CD2-CD1 3.55Å; L208-I211 WeakPolarHBondContact O-CB 3.34Å; L208-I211 PolarHBondContact O-N 2.79Å; I211-K213 VanDerWaalsContact C-N 3.35Å; I211-K213 PolarHBondContact O-N 2.65Å; I211-L214 PolarHBondContact O-N 3.16Å; I211-Q215 HydrophobicContact CG2-CG 4.24Å; I211-Q215 WeakPolarHBondContact O-CB 3.36Å; I211-Q215 WeakPolarHBondContact O-CG 3.25Å; I211-Q215 PolarHBondContact O-N 2.95Å; I211-A227 HydrophobicContact CG2-CB 4.13Å; I211-L229 HydrophobicContact CD1-CD2 3.77Å
212Y97.4Very high96.3Very high121 Ų12149.3 Ų49.348%0.47527%0.266SS..Hα-helixtrans-62.9-43.2-177-57.2-46.8000111.8L208 S209 R216 L229L208-Y212 HydrophobicContact CB-CD2 4.31Å; L208-Y212 HydrophobicContact CB-CE2 3.63Å; L208-Y212 VanDerWaalsContact O-CD2 3.26Å; L208-Y212 WeakPolarHBondContact O-CD2 3.29Å; L208-Y212 PolarHBondContact O-N 2.64Å; S209-Y212 PolarHBondContact O-N 2.78Å; Y212-R216 VanDerWaalsContact O-CB 3.29Å; Y212-R216 WeakPolarHBondContact O-CB 3.24Å; Y212-R216 PolarHBondContact O-N 2.87Å; Y212-L229 HydrophobicContact CE1-CD1 4.4Å
213K98.2Very high96.5Very high58 Ų5846.5 Ų46.525%0.25225%0.251SS..Hα-helixtrans-65.8-43.2177-73.1169.7175.3170.90111.7D126 D129 L186 S209 I211 R216 A217D126-K213 HydrophobicContact CB-CD 4.09Å; D126-K213 IonicContact OD1-NZ 2.69Å; D126-K213 PolarHBondContact OD1-NZ 2.77Å; D126-K213 IonicContact OD2-NZ 2.65Å; D126-K213 PolarHBondContact OD2-NZ 2.84Å; D129-K213 WeakPolarHBondContact OD2-CE 3.2Å; D129-K213 IonicContact OD2-NZ 3.78Å; D129-K213 PolarHBondContact OD2-NZ 3.38Å; L186-K213 HydrophobicContact CD1-CB 3.81Å; L186-K213 HydrophobicContact CD1-CD 3.99Å; L186-K213 HydrophobicContact CD2-CB 3.93Å; S209-K213 WeakPolarHBondContact O-CB 3.29Å; S209-K213 VanDerWaalsContact O-CG 3.3Å; S209-K213 WeakPolarHBondContact O-CG 3.5Å; S209-K213 PolarHBondContact O-N 3.42Å; I211-K213 VanDerWaalsContact C-N 3.35Å; I211-K213 PolarHBondContact O-N 2.65Å; K213-R216 PolarHBondContact O-N 2.76Å; K213-A217 WeakPolarHBondContact O-CB 3.31Å; K213-A217 PolarHBondContact O-N 3.11Å
214L98.5Very high96.8Very high0 Ų045.3 Ų45.30%025%0.249CC..Hα-helixtrans-66.7-48.5179.6-179.258.8000111.5I108 I125 L186 V189 I198 G210 I211 R216 A217 L218I108-L214 HydrophobicContact CD1-CD2 3.83Å; I108-L214 HydrophobicContact CG1-CD2 4.32Å; I108-L214 HydrophobicContact CG2-CD2 3.93Å; I125-L214 HydrophobicContact CD1-CB 4.42Å; I125-L214 HydrophobicContact CD1-CD2 3.68Å; I125-L214 HydrophobicContact CG1-CD2 4.35Å; I125-L214 HydrophobicContact CG2-CB 4.23Å; L186-L214 HydrophobicContact CD2-CB 3.91Å; L186-L214 HydrophobicContact CD2-CD1 4.25Å; V189-L214 HydrophobicContact CG2-CD1 3.73Å; I198-L214 HydrophobicContact CD1-CD2 3.73Å; I198-L214 HydrophobicContact CD1-CG 4.21Å; G210-L214 WeakPolarHBondContact O-CB 3.2Å; G210-L214 PolarHBondContact O-N 2.76Å; I211-L214 PolarHBondContact O-N 3.16Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 3.09Å; L214-A217 PolarHBondContact O-N 2.83Å; L214-A217 VanDerWaalsContact O-N 3.17Å; L214-L218 HydrophobicContact CD1-CD1 3.94Å; L214-L218 HydrophobicContact CD1-CD2 4.47Å; L214-L218 HydrophobicContact CD1-CG 3.98Å; L214-L218 HydrophobicContact CD2-CD1 4.45Å; L214-L218 HydrophobicContact CG-CD1 3.74Å; L214-L218 HydrophobicContact CG-CG 4.25Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 VanDerWaalsContact O-CG 3.25Å; L214-L218 WeakPolarHBondContact O-CG 3.44Å; L214-L218 PolarHBondContact O-N 3.29Å
215Q97.9Very high97.1Very high55 Ų5546.4 Ų46.426%0.25726%0.258SS..Hα-helixtrans-59.3-40.2177.3-74.1-163-73.800112I198 I211 L218 A219 A227I198-Q215 HydrophobicContact CD1-CG 4.16Å; I211-Q215 HydrophobicContact CG2-CG 4.24Å; I211-Q215 WeakPolarHBondContact O-CB 3.36Å; I211-Q215 WeakPolarHBondContact O-CG 3.25Å; I211-Q215 PolarHBondContact O-N 2.95Å; Q215-L218 PolarHBondContact O-N 3.29Å; Q215-A219 VanDerWaalsContact O-CB 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 3.1Å; Q215-A227 VanDerWaalsContact CD-CB 3.46Å; Q215-A227 HydrophobicContact CG-CB 4.5Å; Q215-A227 VanDerWaalsContact NE2-CB 3.32Å
216R98.2Very high97.4Very high171 Ų17150.8 Ų50.865%0.64528%0.278SS*.Hα-helixtrans-61.1-50.4174.3179.7175.6177.41661.9111.5Y212 K213 L214 L218 A219 E220Y212-R216 VanDerWaalsContact O-CB 3.29Å; Y212-R216 WeakPolarHBondContact O-CB 3.24Å; Y212-R216 PolarHBondContact O-N 2.87Å; K213-R216 PolarHBondContact O-N 2.76Å; L214-R216 VanDerWaalsContact C-N 3.27Å; L214-R216 PolarHBondContact O-N 3.09Å; R216-L218 VanDerWaalsContact C-N 3.32Å; R216-L218 PolarHBondContact O-N 3.18Å; R216-A219 PolarHBondContact O-N 3.32Å; R216-E220 HydrophobicContact CG-CG 4.42Å; R216-E220 WeakPolarHBondContact CG-OE1 3.43Å; R216-E220 IonicContact CZ-OE1 3.65Å; R216-E220 IonicContact NE-OE1 2.71Å; R216-E220 PolarHBondContact NE-OE1 2.83Å; R216-E220 IonicContact NH2-OE1 2.65Å; R216-E220 PolarHBondContact NH2-OE1 2.71Å; R216-E220 WeakPolarHBondContact O-CB 3.26Å; R216-E220 WeakPolarHBondContact O-CG 3.31Å; R216-E220 PolarHBondContact O-N 2.85Å
217A98.4Very high97.6Very high17 Ų1752.6 Ų52.614%0.1429%0.294CS..Hα-helixtrans-61.5-40.3179.800000112.1V189 K213 L214 N221V189-A217 HydrophobicContact CB-CB 4.09Å; V189-A217 HydrophobicContact CG1-CB 4.04Å; V189-A217 WeakPolarHBondContact CG1-O 3.28Å; V189-A217 HydrophobicContact CG2-CB 3.98Å; K213-A217 WeakPolarHBondContact O-CB 3.31Å; K213-A217 PolarHBondContact O-N 3.11Å; L214-A217 PolarHBondContact O-N 2.83Å; L214-A217 VanDerWaalsContact O-N 3.17Å; A217-N221 PolarHBondContact O-N 3.03Å; A217-N221 PolarHBondContact O-ND2 3.41Å
218L98.6Very high97.8Very high0 Ų054.7 Ų54.70%030%0.301CS..Hα-helixtrans-64.3-46.2176.3-69.4168.2000111L112 V189 I196 L214 Q215 R216 E220 N221 G222 V223L112-L218 HydrophobicContact CD2-CD2 4.08Å; V189-L218 HydrophobicContact CG1-CD2 3.82Å; V189-L218 HydrophobicContact CG1-CG 4.27Å; I196-L218 HydrophobicContact CB-CD1 4.25Å; I196-L218 HydrophobicContact CD1-CD1 4.14Å; I196-L218 HydrophobicContact CD1-CD2 4.25Å; I196-L218 HydrophobicContact CG1-CD1 4.46Å; L214-L218 HydrophobicContact CD1-CD1 3.94Å; L214-L218 HydrophobicContact CD1-CD2 4.47Å; L214-L218 HydrophobicContact CD1-CG 3.98Å; L214-L218 HydrophobicContact CD2-CD1 4.45Å; L214-L218 HydrophobicContact CG-CD1 3.74Å; L214-L218 HydrophobicContact CG-CG 4.25Å; L214-L218 WeakPolarHBondContact O-CB 3.48Å; L214-L218 VanDerWaalsContact O-CG 3.25Å; L214-L218 WeakPolarHBondContact O-CG 3.44Å; L214-L218 PolarHBondContact O-N 3.29Å; Q215-L218 PolarHBondContact O-N 3.29Å; R216-L218 VanDerWaalsContact C-N 3.32Å; R216-L218 PolarHBondContact O-N 3.18Å; L218-E220 PolarHBondContact O-N 2.92Å; L218-N221 CarbonylContact O-C 3.55Å; L218-N221 PolarHBondContact O-N 2.84Å; L218-N221 VanDerWaalsContact O-N 3.1Å; L218-G222 PolarHBondContact O-N 3.16Å; L218-V223 HydrophobicContact CB-CB 4.15Å; L218-V223 HydrophobicContact CD2-CB 3.76Å; L218-V223 HydrophobicContact CD2-CG1 3.64Å; L218-V223 HydrophobicContact CD2-CG2 4.34Å; L218-V223 PolarHBondContact O-N 2.98Å
219A98.3Very high97.9Very high71 Ų7156.8 Ų56.859%0.58731%0.312SS*.Hα-helixtrans-62.2-42.9177.400000112.5Q215 R216 N221 G222Q215-A219 VanDerWaalsContact O-CB 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.48Å; Q215-A219 PolarHBondContact O-N 3.1Å; R216-A219 PolarHBondContact O-N 3.32Å; A219-N221 PolarHBondContact O-N 2.91Å; A219-G222 PolarHBondContact O-N 3.38Å; A219-G222 VanDerWaalsContact O-N 3.11Å
220E98.3Very high98Very high128 Ų12855.6 Ų55.660%0.59830%0.302SS*.Hα-helixtrans-62.1-23.4175.7-73.6173.7178.800112.6R216 L218R216-E220 HydrophobicContact CG-CG 4.42Å; R216-E220 WeakPolarHBondContact CG-OE1 3.43Å; R216-E220 IonicContact CZ-OE1 3.65Å; R216-E220 IonicContact NE-OE1 2.71Å; R216-E220 PolarHBondContact NE-OE1 2.83Å; R216-E220 IonicContact NH2-OE1 2.65Å; R216-E220 PolarHBondContact NH2-OE1 2.71Å; R216-E220 WeakPolarHBondContact O-CB 3.26Å; R216-E220 WeakPolarHBondContact O-CG 3.31Å; R216-E220 PolarHBondContact O-N 2.85Å; L218-E220 PolarHBondContact O-N 2.92Å
221N98.5Very high97.9Very high63 Ų6361.4 Ų61.434%0.33734%0.338SS..THydrogen-bonded Turntrans-101.95.5176.8-76.3-87.2000114.1V189 A217 L218 A219 V223V189-N221 HydrophobicContact CG1-CB 4.33Å; A217-N221 PolarHBondContact O-N 3.03Å; A217-N221 PolarHBondContact O-ND2 3.41Å; L218-N221 CarbonylContact O-C 3.55Å; L218-N221 PolarHBondContact O-N 2.84Å; L218-N221 VanDerWaalsContact O-N 3.1Å; A219-N221 PolarHBondContact O-N 2.91Å; N221-V223 VanDerWaalsContact C-N 3.28Å; N221-V223 HydrophobicContact CB-CG2 4.19Å; N221-V223 PolarHBondContact O-N 2.72Å
222G98.2Very high97.7Very high67 Ų6762.5 Ų62.569%0.69135%0.349SS*.THydrogen-bonded Turntrans69.820.9179.900000114.8L218 A219L218-G222 PolarHBondContact O-N 3.16Å; A219-G222 PolarHBondContact O-N 3.38Å; A219-G222 VanDerWaalsContact O-N 3.11Å
223V98.6Very high97.5Very high8 Ų859.1 Ų59.15%0.04834%0.341CS..  trans-91.4124.3-179.8-1770000109.6S190 S193 G194 L218 N221 S225S190-V223 WeakPolarHBondContact O-CG2 3.49Å; S193-V223 WeakPolarHBondContact O-CG1 3.3Å; G194-V223 VanDerWaalsContact O-CG1 3.26Å; G194-V223 WeakPolarHBondContact O-CG1 3.46Å; L218-V223 HydrophobicContact CB-CB 4.15Å; L218-V223 HydrophobicContact CD2-CB 3.76Å; L218-V223 HydrophobicContact CD2-CG1 3.64Å; L218-V223 HydrophobicContact CD2-CG2 4.34Å; L218-V223 PolarHBondContact O-N 2.98Å; N221-V223 VanDerWaalsContact C-N 3.28Å; N221-V223 HydrophobicContact CB-CG2 4.19Å; N221-V223 PolarHBondContact O-N 2.72Å; V223-S225 PolarHBondContact O-N 3.15Å
224P98.1Very high97.2Very high80 Ų8058.4 Ų58.452%0.51934%0.342SS..  trans-60.6135.8178.2-22.132.7000111.8P195 I196P195-P224 VanDerWaalsContact CA-O 3.27Å; P195-P224 WeakPolarHBondContact CA-O 3.21Å; P195-P224 HydrophobicContact CB-CB 4.09Å; P195-P224 HydrophobicContact CB-CG 4.45Å; I196-P224 PolarHBondContact N-O 2.85Å; I196-P224 VanDerWaalsContact N-O 3.14Å
225S98.4Very high97Very high34 Ų3458.8 Ų58.824%0.23834%0.343CS..EExtended strand (participates in β ladder)trans-148.7147.1172.164.20000112.2I196 V223I196-S225 CarbonylContact O-C 3.58Å; I196-S225 WeakPolarHBondContact O-CA 3.31Å; I196-S225 WeakPolarHBondContact O-CB 3.41Å; V223-S225 PolarHBondContact O-N 3.15Å
226E98.4Very high96.8Very high97 Ų9756.2 Ų56.245%0.45333%0.332SS..EExtended strand (participates in β ladder)trans-124.8144.1175.2-73.2-176.3-145.300109.9I196 F197 I198 F250I196-E226 PolarHBondContact O-N 2.87Å; F197-E226 CarbonylContact C-O 3.58Å; F197-E226 WeakPolarHBondContact CA-O 3.28Å; F197-E226 HydrophobicContact CD2-CB 3.93Å; I198-E226 PolarHBondContact N-O 2.89Å; E226-F250 HydrophobicContact CB-CD2 4.28Å; E226-F250 HydrophobicContact CB-CE2 4.22Å; E226-F250 HydrophobicContact CG-CD2 4.15Å; E226-F250 HydrophobicContact CG-CE2 4.06Å
227A97.8Very high96.5Very high42 Ų4249.7 Ų49.735%0.34731%0.308SS..EExtended strand (participates in β ladder)trans-129136.517600000112I198 I211 Q215I198-A227 CarbonylContact O-C 3.41Å; I198-A227 WeakPolarHBondContact O-CA 3.26Å; I211-A227 HydrophobicContact CG2-CB 4.13Å; Q215-A227 VanDerWaalsContact CD-CB 3.46Å; Q215-A227 HydrophobicContact CG-CB 4.5Å; Q215-A227 VanDerWaalsContact NE2-CB 3.32Å
228K97.8Very high96.2Very high70 Ų7050.3 Ų50.330%0.30432%0.317SS..EExtended strand (participates in β ladder)trans-118.6105.7173.3-172169.9-168166.20110.4F197 I198 A199 N200 I230 I242 A246F197-K228 HydrophobicContact CE2-CB 4.18Å; F197-K228 HydrophobicContact CZ-CB 3.82Å; F197-K228 HydrophobicContact CZ-CD 4.4Å; I198-K228 PolarHBondContact O-N 3.07Å; A199-K228 VanDerWaalsContact CA-O 3.28Å; A199-K228 WeakPolarHBondContact CA-O 3.34Å; A199-K228 HydrophobicContact CB-CB 4.13Å; N200-K228 PolarHBondContact N-O 3.38Å; N200-K228 VanDerWaalsContact N-O 3.16Å; K228-I230 HydrophobicContact CG-CG1 4.12Å; K228-I242 PolarHBondContact NZ-O 2.71Å; K228-A246 HydrophobicContact CD-CB 4.42Å
229L97.7Very high96.1Very high73 Ų7350.5 Ų50.538%0.38232%0.317SS..EExtended strand (participates in β ladder)trans-89.4125.5174-58.1-177.2000110.1N200 L202 L208 I211 Y212N200-L229 WeakPolarHBondContact O-CA 3.05Å; L202-L229 HydrophobicContact CD2-CB 3.75Å; L202-L229 HydrophobicContact CD2-CD1 3.98Å; L202-L229 HydrophobicContact CD2-CG 4.33Å; L202-L229 HydrophobicContact CG-CB 4.31Å; L208-L229 HydrophobicContact CD2-CD2 4.05Å; I211-L229 HydrophobicContact CD1-CD2 3.77Å; Y212-L229 HydrophobicContact CE1-CD1 4.4Å
230I97.3Very high95.9Very high9 Ų948.3 Ų48.35%0.04630%0.296CS..EExtended strand (participates in β ladder)trans-113.2125.5-169.9-59.6167.9000109.3A199 N200 S201 L202 K228 G232 Y239 I242 A243A199-I230 HydrophobicContact CB-CD1 4.38Å; N200-I230 PolarHBondContact O-N 2.96Å; S201-I230 CarbonylContact C-O 3.48Å; S201-I230 WeakPolarHBondContact CA-O 3.33Å; S201-I230 PolarHBondContact OG-O 3.39Å; L202-I230 PolarHBondContact N-O 3.17Å; K228-I230 HydrophobicContact CG-CG1 4.12Å; I230-G232 PolarHBondContact O-N 3.48Å; I230-Y239 HydrophobicContact CD1-CD1 4.3Å; I230-Y239 HydrophobicContact CD1-CD2 3.4Å; I230-Y239 VanDerWaalsContact CD1-CD2 3.4Å; I230-Y239 HydrophobicContact CD1-CE2 3.9Å; I230-Y239 HydrophobicContact CD1-CG 3.63Å; I230-I242 HydrophobicContact CD1-CB 4.3Å; I230-I242 HydrophobicContact CD1-CG2 3.94Å; I230-I242 HydrophobicContact CG1-CG2 4.02Å; I230-I242 HydrophobicContact CG2-CD1 3.79Å; I230-I242 HydrophobicContact CG2-CG2 4.2Å; I230-A243 HydrophobicContact CD1-CB 4.23Å
231T95.6Very high95.8Very high124 Ų12446.4 Ų46.476%0.76130%0.302SS*.SBendtrans-58.4135.7174.7-53.60000111.3
232G92.5Very high95.7Very high24 Ų2447.4 Ų47.425%0.24731%0.306CS..SBendtrans119.9-165.7174.600000113.2S201 N203 I230S201-G232 WeakPolarHBondContact CB-O 3.06Å; N203-G232 WeakPolarHBondContact CA-O 3.3Å; N203-G232 WeakPolarHBondContact CB-O 3.27Å; N203-G232 PolarHBondContact N-O 3.48Å; I230-G232 PolarHBondContact O-N 3.48Å
233T92.7Very high95.7Very high51 Ų5144.2 Ų44.231%0.31327%0.274SS..SBendtrans-118.82.8-171.256.50000113.1Q157 N203Q157-T233 PolarHBondContact O-OG1 2.82Å; N203-T233 HydrophobicContact CB-CG2 3.99Å; N203-T233 WeakPolarHBondContact O-CG2 2.99Å
234V91.5Very high95.7Very high43 Ų4345.2 Ų45.226%0.26128%0.277SS..  trans-74.5138.4-170.8-75.10000110.6Q157 S201 Y239Q157-V234 HydrophobicContact CB-CG1 4.44Å; Q157-V234 VanDerWaalsContact OE1-CG1 3.31Å; S201-V234 WeakPolarHBondContact CB-O 3.25Å; S201-V234 WeakPolarHBondContact OG-CG2 3.22Å; S201-V234 PolarHBondContact OG-O 2.76Å; S201-V234 VanDerWaalsContact OG-O 3.07Å; V234-Y239 HydrophobicContact CB-CD1 4.45Å; V234-Y239 HydrophobicContact CG2-CD1 3.95Å; V234-Y239 HydrophobicContact CG2-CG 4.43Å; V234-Y239 VanDerWaalsContact O-CD1 3.29Å; V234-Y239 WeakPolarHBondContact O-CD1 3.41Å; V234-Y239 WeakPolarHBondContact O-CE1 3.33Å
235H93.5Very high95.7Very high8 Ų845.2 Ų45.24%0.03728%0.277CS..  trans-106.8132.7-174.8179.370.5000110.8S101 S122 Q157 E204 F205 V206 E237 G238S101-H235 WeakPolarHBondContact CB-NE2 3.37Å; S101-H235 PolarHBondContact OG-NE2 3.48Å; S122-H235 WeakPolarHBondContact CB-CE1 3.34Å; S122-H235 VanDerWaalsContact CB-ND1 3.3Å; S122-H235 WeakPolarHBondContact CB-ND1 3.47Å; S122-H235 PolarHBondContact OG-ND1 3.03Å; Q157-H235 PolarHBondContact NE2-O 3.1Å; Q157-H235 VanDerWaalsContact NE2-O 3.08Å; E204-H235 IonicContact OE2-CE1 3.04Å; E204-H235 IonicContact OE2-CG 3.36Å; E204-H235 IonicContact OE2-ND1 3.54Å; E204-H235 PolarHBondContact OE2-ND1 3.18Å; F205-H235 HydrophobicContact CD1-CB 4.2Å; F205-H235 HydrophobicContact CE1-CB 3.7Å; F205-H235 AromaticContact CE1-CD2 3.42Å; F205-H235 VanDerWaalsContact CE1-CD2 3.42Å; F205-H235 WeakPolarHBondContact CE1-CD2 3.28Å; F205-H235 AromaticContact CE1-CE1 3.67Å; F205-H235 AromaticContact CE1-CG 3.21Å; F205-H235 AromaticContact CE1-ND1 3.37Å; F205-H235 WeakPolarHBondContact CE1-ND1 3.3Å; F205-H235 AromaticContact CE1-NE2 3.7Å; F205-H235 AromaticContact CZ-CD2 3.55Å; F205-H235 AromaticContact CZ-CE1 3.34Å; F205-H235 WeakPolarHBondContact CZ-CE1 3.41Å; F205-H235 AromaticContact CZ-CG 3.7Å; F205-H235 AromaticContact CZ-ND1 3.56Å; F205-H235 AromaticContact CZ-NE2 3.3Å; F205-H235 VanDerWaalsContact CZ-NE2 3.3Å; F205-H235 WeakPolarHBondContact CZ-NE2 3.42Å; V206-H235 VanDerWaalsContact CG2-CE1 3.41Å; V206-H235 WeakPolarHBondContact CG2-CE1 3.26Å; H235-E237 PolarHBondContact O-N 3.37Å; H235-G238 PolarHBondContact O-N 3.08Å
236G93.5Very high95.6Very high1 Ų144.7 Ų44.71%0.0128%0.275CS..G310 helixtrans58.4-125.417000000113.8S100 S122 G238 Y239S100-G236 WeakPolarHBondContact OG-CA 3.29Å; S122-G236 PolarHBondContact OG-N 2.84Å; G236-G238 PolarHBondContact O-N 3.47Å; G236-Y239 VanDerWaalsContact N-CE1 3.25Å; G236-Y239 WeakPolarHBondContact O-CD1 3.49Å; G236-Y239 VanDerWaalsContact O-CD2 3.29Å; G236-Y239 WeakPolarHBondContact O-CD2 3.1Å; G236-Y239 VanDerWaalsContact O-CE1 3.29Å; G236-Y239 WeakPolarHBondContact O-CE1 3.29Å; G236-Y239 VanDerWaalsContact O-CE2 3.24Å; G236-Y239 WeakPolarHBondContact O-CE2 3.42Å; G236-Y239 VanDerWaalsContact O-CZ 3.23Å; G236-Y239 PolarHBondContact O-N 2.89Å; G236-Y239 VanDerWaalsContact O-N 3.16Å
237E93.2Very high95.7Very high33 Ų3340.1 Ų40.115%0.15425%0.254CS..G310 helixtrans-59.5-10175.9-69.9176.7-110.400114.5W121 S152 H235 Y239 L240W121-E237 HydrophobicContact CE3-CG 4.11Å; W121-E237 HydrophobicContact CZ3-CG 4.12Å; S152-E237 VanDerWaalsContact CB-CD 3.44Å; S152-E237 WeakPolarHBondContact CB-OE1 3.47Å; S152-E237 PolarHBondContact OG-OE1 2.81Å; H235-E237 PolarHBondContact O-N 3.37Å; E237-Y239 PolarHBondContact O-N 3.16Å; E237-L240 HydrophobicContact CG-CD1 4.42Å; E237-L240 WeakPolarHBondContact O-CB 3.42Å; E237-L240 PolarHBondContact O-N 2.78Å
238G92.5Very high95.7Very high31 Ų3138.6 Ų38.632%0.3224%0.24SC..G310 helixtrans-58.2-27.7171.800000113.5H235 G236H235-G238 PolarHBondContact O-N 3.08Å; G236-G238 PolarHBondContact O-N 3.47Å
239Y94.9Very high95.7Very high3 Ų340.5 Ų40.51%0.01225%0.25CC..G310 helixtrans-109.821173.254.7-107.5000113.3W121 S122 A199 I230 V234 G236 E237 A241 I242 A243W121-Y239 WeakPolarHBondContact CA-OH 3.5Å; W121-Y239 HydrophobicContact CB-CE2 3.92Å; W121-Y239 WeakPolarHBondContact CB-OH 3.32Å; W121-Y239 HydrophobicContact CG-CE2 4.09Å; S122-Y239 PolarHBondContact N-OH 3.46Å; S122-Y239 WeakPolarHBondContact OG-CE1 3.17Å; S122-Y239 PolarHBondContact OG-OH 3.33Å; A199-Y239 HydrophobicContact CB-CE2 4.11Å; A199-Y239 PolarHBondContact O-OH 3.2Å; I230-Y239 HydrophobicContact CD1-CD1 4.3Å; I230-Y239 HydrophobicContact CD1-CD2 3.4Å; I230-Y239 VanDerWaalsContact CD1-CD2 3.4Å; I230-Y239 HydrophobicContact CD1-CE2 3.9Å; I230-Y239 HydrophobicContact CD1-CG 3.63Å; V234-Y239 HydrophobicContact CB-CD1 4.45Å; V234-Y239 HydrophobicContact CG2-CD1 3.95Å; V234-Y239 HydrophobicContact CG2-CG 4.43Å; V234-Y239 VanDerWaalsContact O-CD1 3.29Å; V234-Y239 WeakPolarHBondContact O-CD1 3.41Å; V234-Y239 WeakPolarHBondContact O-CE1 3.33Å; G236-Y239 VanDerWaalsContact N-CE1 3.25Å; G236-Y239 WeakPolarHBondContact O-CD1 3.49Å; G236-Y239 VanDerWaalsContact O-CD2 3.29Å; G236-Y239 WeakPolarHBondContact O-CD2 3.1Å; G236-Y239 VanDerWaalsContact O-CE1 3.29Å; G236-Y239 WeakPolarHBondContact O-CE1 3.29Å; G236-Y239 VanDerWaalsContact O-CE2 3.24Å; G236-Y239 WeakPolarHBondContact O-CE2 3.42Å; G236-Y239 VanDerWaalsContact O-CZ 3.23Å; G236-Y239 PolarHBondContact O-N 2.89Å; G236-Y239 VanDerWaalsContact O-N 3.16Å; E237-Y239 PolarHBondContact O-N 3.16Å; Y239-A241 PolarHBondContact O-N 3.28Å; Y239-A241 VanDerWaalsContact O-N 3.09Å; Y239-I242 WeakPolarHBondContact O-CA 3.5Å; Y239-I242 WeakPolarHBondContact O-CB 3.14Å; Y239-I242 PolarHBondContact O-N 3.47Å; Y239-A243 HydrophobicContact CD2-CB 3.63Å; Y239-A243 HydrophobicContact CE2-CB 3.8Å; Y239-A243 PolarHBondContact O-N 3.29Å; Y239-A243 VanDerWaalsContact O-N 3.1Å
240L95.2Very high95.7Very high25 Ų2537.3 Ų37.313%0.13123%0.233CC..Hα-helixtrans-48-44.6-177.7-179.7158.6000112L46 W121 E237 I242 A243 Y244L46-L240 HydrophobicContact CD1-CD1 4.16Å; W121-L240 HydrophobicContact CH2-CD1 4.37Å; W121-L240 HydrophobicContact CH2-CG 4.09Å; W121-L240 HydrophobicContact CZ3-CB 4.43Å; W121-L240 HydrophobicContact CZ3-CD1 4.03Å; W121-L240 HydrophobicContact CZ3-CG 4.02Å; E237-L240 HydrophobicContact CG-CD1 4.42Å; E237-L240 WeakPolarHBondContact O-CB 3.42Å; E237-L240 PolarHBondContact O-N 2.78Å; L240-I242 PolarHBondContact O-N 3.35Å; L240-I242 VanDerWaalsContact O-N 3.11Å; L240-A243 PolarHBondContact O-N 3.08Å; L240-Y244 HydrophobicContact CD2-CD2 4.46Å; L240-Y244 HydrophobicContact CD2-CG 4.38Å; L240-Y244 WeakPolarHBondContact O-CA 3.39Å; L240-Y244 WeakPolarHBondContact O-CB 3.47Å; L240-Y244 PolarHBondContact O-N 3.1Å
241A95.2Very high95.8Very high89 Ų8936.9 Ų36.974%0.73623%0.23SC*.Hα-helixtrans-59.8-25.1-179.900000114.1Y239Y239-A241 PolarHBondContact O-N 3.28Å; Y239-A241 VanDerWaalsContact O-N 3.09Å
242I97.1Very high95.9Very high83 Ų8335.2 Ų35.243%0.42621%0.213SC..Hα-helixtrans-91-41.2-179.4-57.8172.2000111.2K228 I230 Y239 L240K228-I242 PolarHBondContact NZ-O 2.71Å; I230-I242 HydrophobicContact CD1-CB 4.3Å; I230-I242 HydrophobicContact CD1-CG2 3.94Å; I230-I242 HydrophobicContact CG1-CG2 4.02Å; I230-I242 HydrophobicContact CG2-CD1 3.79Å; I230-I242 HydrophobicContact CG2-CG2 4.2Å; Y239-I242 WeakPolarHBondContact O-CA 3.5Å; Y239-I242 WeakPolarHBondContact O-CB 3.14Å; Y239-I242 PolarHBondContact O-N 3.47Å; L240-I242 PolarHBondContact O-N 3.35Å; L240-I242 VanDerWaalsContact O-N 3.11Å
243A97.6Very high96.1Very high0 Ų039.8 Ų39.80%023%0.228CC..Hα-helixtrans-87.3-30.9-17500000113.6A199 I230 Y239 L240 A246 A247A199-A243 HydrophobicContact CB-CB 3.89Å; I230-A243 HydrophobicContact CD1-CB 4.23Å; Y239-A243 HydrophobicContact CD2-CB 3.63Å; Y239-A243 HydrophobicContact CE2-CB 3.8Å; Y239-A243 PolarHBondContact O-N 3.29Å; Y239-A243 VanDerWaalsContact O-N 3.1Å; L240-A243 PolarHBondContact O-N 3.08Å; A243-A246 PolarHBondContact O-N 3.07Å; A243-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 PolarHBondContact O-N 2.88Å
244Y98.2Very high96.3Very high30 Ų3039.2 Ų39.212%0.11822%0.223CC..Hα-helixtrans-55-49-172.2176.9-89.2000114L46 K49 L50 E53 W121 L240 A246 A247 V248L46-Y244 HydrophobicContact CD1-CD2 3.95Å; L46-Y244 HydrophobicContact CD1-CE2 3.84Å; K49-Y244 HydrophobicContact CB-CE2 4.16Å; K49-Y244 PolarHBondContact O-OH 2.78Å; L50-Y244 HydrophobicContact CD2-CE2 4.07Å; L50-Y244 HydrophobicContact CG-CE2 4.39Å; E53-Y244 WeakPolarHBondContact CG-OH 3.4Å; E53-Y244 PolarHBondContact OE1-OH 3.11Å; W121-Y244 HydrophobicContact CH2-CD2 4.12Å; W121-Y244 HydrophobicContact CZ2-CD2 4.44Å; L240-Y244 HydrophobicContact CD2-CD2 4.46Å; L240-Y244 HydrophobicContact CD2-CG 4.38Å; L240-Y244 WeakPolarHBondContact O-CA 3.39Å; L240-Y244 WeakPolarHBondContact O-CB 3.47Å; L240-Y244 PolarHBondContact O-N 3.1Å; Y244-A246 VanDerWaalsContact C-N 3.35Å; Y244-A246 PolarHBondContact O-N 3.23Å; Y244-A247 PolarHBondContact O-N 3.46Å; Y244-V248 HydrophobicContact CD1-CG2 4.21Å; Y244-V248 HydrophobicContact CD2-CG2 4.06Å; Y244-V248 HydrophobicContact CE1-CG2 3.83Å; Y244-V248 HydrophobicContact CE2-CG2 3.69Å; Y244-V248 HydrophobicContact CG-CG2 4.31Å; Y244-V248 WeakPolarHBondContact O-CG2 3.2Å; Y244-V248 PolarHBondContact O-N 3.45Å
245P98.2Very high96.4Very high79 Ų7939.9 Ų39.951%0.51323%0.227SC..Hα-helixtrans-60.7-43.3-177.6-2435000112.9Q249P245-Q249 VanDerWaalsContact O-CB 3.3Å; P245-Q249 WeakPolarHBondContact O-CB 3.2Å; P245-Q249 PolarHBondContact O-N 2.78Å
246A98.2Very high96.5Very high24 Ų2441.5 Ų41.520%0.19824%0.236CC..Hα-helixtrans-69.6-40.7179.800000111.7F197 K228 A243 Y244 Q249 F250F197-A246 HydrophobicContact CE2-CB 3.79Å; F197-A246 HydrophobicContact CZ-CB 3.76Å; K228-A246 HydrophobicContact CD-CB 4.42Å; A243-A246 PolarHBondContact O-N 3.07Å; Y244-A246 VanDerWaalsContact C-N 3.35Å; Y244-A246 PolarHBondContact O-N 3.23Å; A246-Q249 PolarHBondContact O-N 3Å; A246-F250 VanDerWaalsContact O-CB 3.3Å; A246-F250 WeakPolarHBondContact O-CB 3.4Å; A246-F250 PolarHBondContact O-N 3.39Å
247A98.5Very high96.7Very high1 Ų143.6 Ų43.61%0.00825%0.248CC..Hα-helixtrans-62.7-46.4176.400000111.8A119 W121 F197 A243 Y244 F250 L251A119-A247 HydrophobicContact CB-CB 4.01Å; W121-A247 HydrophobicContact CZ2-CB 4.01Å; F197-A247 HydrophobicContact CD1-CB 3.85Å; F197-A247 HydrophobicContact CE1-CB 3.81Å; A243-A247 WeakPolarHBondContact O-CB 3.44Å; A243-A247 PolarHBondContact O-N 2.88Å; Y244-A247 PolarHBondContact O-N 3.46Å; A247-F250 PolarHBondContact O-N 2.87Å; A247-L251 VanDerWaalsContact O-CG 3.25Å; A247-L251 WeakPolarHBondContact O-CG 3.35Å; A247-L251 PolarHBondContact O-N 3.46Å
248V98.4Very high96.9Very high9 Ų944.2 Ų44.26%0.05525%0.254CS..Hα-helixtrans-64.3-44177.9168.70000111.2L50 E53 F55 Y244 L251 K252L50-V248 HydrophobicContact CD2-CG2 4.04Å; E53-V248 HydrophobicContact CB-CG1 4.27Å; E53-V248 HydrophobicContact CG-CG1 3.89Å; E53-V248 HydrophobicContact CG-CG2 4.4Å; F55-V248 HydrophobicContact CE2-CG1 4.43Å; Y244-V248 HydrophobicContact CD1-CG2 4.21Å; Y244-V248 HydrophobicContact CD2-CG2 4.06Å; Y244-V248 HydrophobicContact CE1-CG2 3.83Å; Y244-V248 HydrophobicContact CE2-CG2 3.69Å; Y244-V248 HydrophobicContact CG-CG2 4.31Å; Y244-V248 WeakPolarHBondContact O-CG2 3.2Å; Y244-V248 PolarHBondContact O-N 3.45Å; V248-L251 PolarHBondContact O-N 2.99Å; V248-K252 HydrophobicContact CG1-CD 3.98Å; V248-K252 HydrophobicContact CG1-CG 4.39Å; V248-K252 WeakPolarHBondContact O-CB 3.04Å; V248-K252 WeakPolarHBondContact O-CG 3.34Å; V248-K252 PolarHBondContact O-N 3.23Å
249Q98.2Very high97.1Very high111 Ų11145 Ų4552%0.51925%0.25SC..Hα-helixtrans-58.4-51.6176.6179.1175.83.700111P245 A246 L251 K252 E253P245-Q249 VanDerWaalsContact O-CB 3.3Å; P245-Q249 WeakPolarHBondContact O-CB 3.2Å; P245-Q249 PolarHBondContact O-N 2.78Å; A246-Q249 PolarHBondContact O-N 3Å; Q249-L251 VanDerWaalsContact C-N 3.32Å; Q249-L251 PolarHBondContact O-N 2.97Å; Q249-K252 PolarHBondContact O-N 3.46Å; Q249-K252 VanDerWaalsContact O-N 3.13Å; Q249-E253 HydrophobicContact CG-CG 4.4Å; Q249-E253 VanDerWaalsContact CG-OE1 3.23Å; Q249-E253 WeakPolarHBondContact CG-OE1 3.14Å; Q249-E253 PolarHBondContact NE2-OE1 3.46Å; Q249-E253 WeakPolarHBondContact O-CG 3.32Å; Q249-E253 PolarHBondContact O-N 3.08Å
250F98.6Very high97.2Very high5 Ų547.6 Ų47.62%0.02227%0.265CS..Hα-helixtrans-55.5-46.7178.3179.7-90.6000112.1P195 F197 E226 A246 A247 K252 E253 N254P195-F250 HydrophobicContact CB-CE1 4.34Å; P195-F250 HydrophobicContact CB-CZ 3.81Å; F197-F250 HydrophobicContact CB-CB 4.05Å; F197-F250 HydrophobicContact CB-CD1 3.48Å; F197-F250 VanDerWaalsContact CB-CD1 3.48Å; F197-F250 HydrophobicContact CB-CD2 4.05Å; F197-F250 HydrophobicContact CB-CE1 3.83Å; F197-F250 HydrophobicContact CB-CE2 4.35Å; F197-F250 HydrophobicContact CB-CG 3.59Å; F197-F250 HydrophobicContact CB-CZ 4.24Å; F197-F250 HydrophobicContact CD2-CB 4.31Å; F197-F250 HydrophobicContact CD2-CG 4.44Å; F197-F250 HydrophobicContact CG-CB 4.37Å; F197-F250 HydrophobicContact CG-CG 4.36Å; F197-F250 VanDerWaalsContact N-CE1 3.32Å; E226-F250 HydrophobicContact CB-CD2 4.28Å; E226-F250 HydrophobicContact CB-CE2 4.22Å; E226-F250 HydrophobicContact CG-CD2 4.15Å; E226-F250 HydrophobicContact CG-CE2 4.06Å; A246-F250 VanDerWaalsContact O-CB 3.3Å; A246-F250 WeakPolarHBondContact O-CB 3.4Å; A246-F250 PolarHBondContact O-N 3.39Å; A247-F250 PolarHBondContact O-N 2.87Å; F250-K252 PolarHBondContact O-N 3.43Å; F250-E253 PolarHBondContact O-N 3.08Å; F250-N254 PolarHBondContact O-N 3.18Å; F250-N254 PolarHBondContact O-ND2 3.2Å
251L98.5Very high97.4Very high0 Ų049.1 Ų49.10%027%0.273CS..Hα-helixtrans-62.2-44.4178.1-69.5175.4000111.4I27 F55 T96 P117 A119 A247 V248 Q249 E253 N254 V255I27-L251 HydrophobicContact CD1-CD1 3.64Å; F55-L251 HydrophobicContact CZ-CB 4.03Å; T96-L251 HydrophobicContact CG2-CD2 4.22Å; P117-L251 HydrophobicContact CB-CD2 4.17Å; A119-L251 HydrophobicContact CB-CD1 4.1Å; A119-L251 HydrophobicContact CB-CD2 4.26Å; A119-L251 HydrophobicContact CB-CG 4.19Å; A247-L251 VanDerWaalsContact O-CG 3.25Å; A247-L251 WeakPolarHBondContact O-CG 3.35Å; A247-L251 PolarHBondContact O-N 3.46Å; V248-L251 PolarHBondContact O-N 2.99Å; Q249-L251 VanDerWaalsContact C-N 3.32Å; Q249-L251 PolarHBondContact O-N 2.97Å; L251-E253 VanDerWaalsContact C-N 3.31Å; L251-E253 PolarHBondContact O-N 3.39Å; L251-N254 PolarHBondContact O-N 2.78Å; L251-V255 VanDerWaalsContact O-CG1 3.25Å; L251-V255 WeakPolarHBondContact O-CG1 3.48Å; L251-V255 PolarHBondContact O-N 2.8Å
252K97.2Very high97.5Very high89 Ų8946.3 Ų46.339%0.38724%0.24SC..Hα-helixtrans-64.8-31.3178.5-76.1-177.8170.9-175.90113.7E53 F55 V248 Q249 F250 N254 V255E53-K252 WeakPolarHBondContact O-CE 3.48Å; E53-K252 PolarHBondContact O-NZ 3.35Å; E53-K252 IonicContact OE2-NZ 3.85Å; E53-K252 PolarHBondContact OE2-NZ 2.88Å; F55-K252 HydrophobicContact CE2-CG 4.24Å; F55-K252 HydrophobicContact CZ-CG 3.89Å; V248-K252 HydrophobicContact CG1-CD 3.98Å; V248-K252 HydrophobicContact CG1-CG 4.39Å; V248-K252 WeakPolarHBondContact O-CB 3.04Å; V248-K252 WeakPolarHBondContact O-CG 3.34Å; V248-K252 PolarHBondContact O-N 3.23Å; Q249-K252 PolarHBondContact O-N 3.46Å; Q249-K252 VanDerWaalsContact O-N 3.13Å; F250-K252 PolarHBondContact O-N 3.43Å; K252-N254 VanDerWaalsContact C-N 3.29Å; K252-V255 VanDerWaalsContact O-CG2 3.28Å; K252-V255 WeakPolarHBondContact O-CG2 3.38Å
253E97.5Very high97.6Very high120 Ų12043.5 Ų43.556%0.56123%0.226SC*.Hα-helixtrans-77.7-16.9178.1-72.2172.5-179.700112.8Q249 F250 L251Q249-E253 HydrophobicContact CG-CG 4.4Å; Q249-E253 VanDerWaalsContact CG-OE1 3.23Å; Q249-E253 WeakPolarHBondContact CG-OE1 3.14Å; Q249-E253 PolarHBondContact NE2-OE1 3.46Å; Q249-E253 WeakPolarHBondContact O-CG 3.32Å; Q249-E253 PolarHBondContact O-N 3.08Å; F250-E253 PolarHBondContact O-N 3.08Å; L251-E253 VanDerWaalsContact C-N 3.31Å; L251-E253 PolarHBondContact O-N 3.39Å
254N97.4Very high97.6Very high39 Ų3947.1 Ų47.121%0.20925%0.245CC..Hα-helixtrans-110.3-2.7-175.2-74.5-85.1000114.4K94 P117 P195 F250 L251 K252K94-N254 WeakPolarHBondContact CD-O 3.44Å; K94-N254 PolarHBondContact NZ-O 3Å; P117-N254 HydrophobicContact CB-CB 3.82Å; P117-N254 HydrophobicContact CG-CB 3.73Å; P117-N254 VanDerWaalsContact CG-O 3.29Å; P117-N254 WeakPolarHBondContact CG-O 3.4Å; P195-N254 HydrophobicContact CG-CB 3.87Å; P195-N254 VanDerWaalsContact CG-OD1 3.26Å; P195-N254 WeakPolarHBondContact CG-OD1 3.42Å; F250-N254 PolarHBondContact O-N 3.18Å; F250-N254 PolarHBondContact O-ND2 3.2Å; L251-N254 PolarHBondContact O-N 2.78Å; K252-N254 VanDerWaalsContact C-N 3.29Å
255V91.8Very high97.5Very high58 Ų5848.6 Ų48.635%0.35226%0.257SS..  trans-79.90176.7-70.90000114.1A25 F55 G93 K94 T96 L251 K252A25-V255 HydrophobicContact CB-CB 3.89Å; A25-V255 HydrophobicContact CB-CG1 3.5Å; A25-V255 HydrophobicContact CB-CG2 4.18Å; F55-V255 HydrophobicContact CE1-CG1 4.49Å; G93-V255 WeakPolarHBondContact CA-OXT 3.44Å; K94-V255 HydrophobicContact CB-CB 4.49Å; K94-V255 HydrophobicContact CB-CG1 4.44Å; K94-V255 WeakPolarHBondContact CG-OXT 3.25Å; K94-V255 PolarHBondContact N-OXT 3.34Å; T96-V255 HydrophobicContact CG2-CG1 3.35Å; L251-V255 VanDerWaalsContact O-CG1 3.25Å; L251-V255 WeakPolarHBondContact O-CG1 3.48Å; L251-V255 PolarHBondContact O-N 2.8Å; K252-V255 VanDerWaalsContact O-CG2 3.28Å; K252-V255 WeakPolarHBondContact O-CG2 3.38Å

Retrieved 255 of 255 residues in 450.9 ms (Link to these results)

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