A0A060XRX8_ONCMY Loading...

Globin domain-containing protein

AlphaFold DB , UniProt , Accession A0A060XRX8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC118937733, Length 147 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
1M67.2Low94.5Very high197 Ų19787.2 Ų87.297%0.9743%0.426SS*.  0127.30-170.9177.1-77.200106.5
2V89.1Confident94.9Very high59 Ų5979.9 Ų79.936%0.35839%0.39SS..  trans-72139.4178.8176.80000108.1W4 V137V2-W4 HydrophobicContact CG1-CD2 4.31Å; V2-W4 HydrophobicContact CG1-CH2 4.31Å; V2-W4 HydrophobicContact CG1-CZ2 3.84Å; V2-V137 HydrophobicContact CB-CG2 4.29Å; V2-V137 HydrophobicContact CG1-CG2 4.05Å; V2-V137 HydrophobicContact CG2-CG1 4.35Å; V2-V137 HydrophobicContact CG2-CG2 3.72Å
3Q95.3Very high95.1Very high138 Ų13880.2 Ų80.265%0.64539%0.39SS*.  trans-100.7134.7175.3-63.4-60.9-3600108.8K133Q3-K133 WeakPolarHBondContact O-CE 3.43Å; Q3-K133 PolarHBondContact O-NZ 2.86Å
4W98.1Very high95.4Very high17 Ų1777.1 Ų77.16%0.06438%0.381CS..  trans-116.3127.5178.4-58.4102.1000110.3V2 E8 R9 I12 M79 I82 K133 F134 V137V2-W4 HydrophobicContact CG1-CD2 4.31Å; V2-W4 HydrophobicContact CG1-CH2 4.31Å; V2-W4 HydrophobicContact CG1-CZ2 3.84Å; W4-E8 WeakPolarHBondContact CA-OE2 3.35Å; W4-E8 HydrophobicContact CE3-CB 4.1Å; W4-R9 HydrophobicContact CB-CG 3.87Å; W4-I12 HydrophobicContact CE3-CD1 4.17Å; W4-I12 HydrophobicContact CZ3-CD1 3.86Å; W4-M79 HydrophobicContact CB-CE 4.23Å; W4-M79 HydrophobicContact CD2-CE 3.34Å; W4-M79 HydrophobicContact CE3-CE 3.43Å; W4-M79 VanDerWaalsContact CE3-CE 3.43Å; W4-M79 HydrophobicContact CG-CE 3.71Å; W4-M79 HydrophobicContact CH2-CE 4.41Å; W4-M79 HydrophobicContact CZ2-CE 4.29Å; W4-M79 HydrophobicContact CZ3-CE 3.98Å; W4-M79 PolarHBondContact NE1-O 3.41Å; W4-I82 HydrophobicContact CZ2-CD1 4.22Å; W4-K133 HydrophobicContact CE3-CD 4.14Å; W4-K133 HydrophobicContact CH2-CD 4.27Å; W4-K133 HydrophobicContact CH2-CG 3.87Å; W4-K133 HydrophobicContact CZ3-CB 4.24Å; W4-K133 HydrophobicContact CZ3-CD 3.65Å; W4-K133 HydrophobicContact CZ3-CG 3.68Å; W4-F134 HydrophobicContact CH2-CB 4.26Å; W4-F134 HydrophobicContact CZ3-CB 4.48Å; W4-V137 HydrophobicContact CH2-CB 4.49Å; W4-V137 HydrophobicContact CH2-CG2 3.94Å; W4-V137 HydrophobicContact CZ2-CB 4.24Å; W4-V137 HydrophobicContact CZ2-CG1 4.48Å; W4-V137 HydrophobicContact CZ2-CG2 3.83Å
5T98.6Very high95.6Very high76 Ų7672.8 Ų72.847%0.46636%0.36SS..  trans-75.9160.6171.671.20000110.7F7 E8 R9T5-F7 PolarHBondContact O-N 2.87Å; T5-E8 PolarHBondContact N-OE2 2.96Å; T5-E8 PolarHBondContact O-N 3.47Å; T5-E8 WeakPolarHBondContact OG1-CG 3.35Å; T5-E8 PolarHBondContact OG1-N 3.28Å; T5-R9 WeakPolarHBondContact O-CG 3.42Å; T5-R9 PolarHBondContact O-N 2.75Å
6D98.4Very high95.7Very high117 Ų11769.1 Ų69.163%0.62634%0.341SS*.Hα-helixtrans-59-35.2174.6-71.6-10.3000112.3K10D6-K10 WeakPolarHBondContact O-CB 3.37Å; D6-K10 VanDerWaalsContact O-CG 3.28Å; D6-K10 WeakPolarHBondContact O-CG 3.32Å; D6-K10 PolarHBondContact O-N 3.17Å; D6-K10 VanDerWaalsContact O-N 3.07Å
7F98.4Very high95.8Very high105 Ų10574.1 Ų74.146%0.46136%0.363SS..Hα-helixtrans-61.8-51.1174.7171.2-99.5000111T5 R9 K10 T11 D126T5-F7 PolarHBondContact O-N 2.87Å; F7-R9 VanDerWaalsContact C-N 3.35Å; F7-R9 PolarHBondContact O-N 3.29Å; F7-K10 PolarHBondContact O-N 2.76Å; F7-T11 WeakPolarHBondContact CE2-OG1 3.47Å; F7-T11 WeakPolarHBondContact CZ-OG1 3.47Å; F7-T11 VanDerWaalsContact O-CB 3.3Å; F7-T11 WeakPolarHBondContact O-CB 3.43Å; F7-T11 PolarHBondContact O-N 2.72Å; F7-T11 PolarHBondContact O-OG1 3.16Å; F7-D126 HydrophobicContact CE1-CB 4.03Å; F7-D126 HydrophobicContact CZ-CB 3.88Å
8E98.8Very high95.9Very high28 Ų2879.2 Ų79.213%0.13138%0.383CS..Hα-helixtrans-60.3-45.2-178.7-69.9169.1147.900111.3W4 T5 T11 I12 A130 K133W4-E8 WeakPolarHBondContact CA-OE2 3.35Å; W4-E8 HydrophobicContact CE3-CB 4.1Å; T5-E8 PolarHBondContact N-OE2 2.96Å; T5-E8 PolarHBondContact O-N 3.47Å; T5-E8 WeakPolarHBondContact OG1-CG 3.35Å; T5-E8 PolarHBondContact OG1-N 3.28Å; E8-T11 PolarHBondContact O-N 2.91Å; E8-I12 WeakPolarHBondContact O-CB 3.29Å; E8-I12 VanDerWaalsContact O-CD1 3.29Å; E8-I12 WeakPolarHBondContact O-CD1 3.3Å; E8-I12 VanDerWaalsContact O-CG1 3.25Å; E8-I12 WeakPolarHBondContact O-CG1 3.12Å; E8-I12 PolarHBondContact O-N 3.34Å; E8-A130 HydrophobicContact CB-CB 4.33Å; E8-A130 HydrophobicContact CG-CB 4.07Å; E8-K133 WeakPolarHBondContact OE1-CD 3.43Å; E8-K133 IonicContact OE1-NZ 2.8Å; E8-K133 PolarHBondContact OE1-NZ 3Å; E8-K133 IonicContact OE2-NZ 2.75Å; E8-K133 PolarHBondContact OE2-NZ 3.33Å
9R98.6Very high95.9Very high62 Ų6276.3 Ų76.323%0.23437%0.369CS..Hα-helixtrans-58.9-50.8178.2-68.1-179.4-171.1-89.12.4111.8W4 T5 F7 T11 I12 Q13 M79 D80W4-R9 HydrophobicContact CB-CG 3.87Å; T5-R9 WeakPolarHBondContact O-CG 3.42Å; T5-R9 PolarHBondContact O-N 2.75Å; F7-R9 VanDerWaalsContact C-N 3.35Å; F7-R9 PolarHBondContact O-N 3.29Å; R9-T11 PolarHBondContact O-N 3.41Å; R9-I12 PolarHBondContact O-N 2.98Å; R9-Q13 WeakPolarHBondContact O-CB 3.39Å; R9-Q13 VanDerWaalsContact O-CG 3.27Å; R9-Q13 WeakPolarHBondContact O-CG 3.45Å; R9-Q13 PolarHBondContact O-N 3.47Å; R9-M79 HydrophobicContact CB-SD 4.44Å; R9-M79 HydrophobicContact CG-CE 3.94Å; R9-M79 HydrophobicContact CG-SD 4.14Å; R9-D80 IonicContact CZ-OD1 3.66Å; R9-D80 IonicContact CZ-OD2 2.69Å; R9-D80 IonicContact NH1-OD1 2.77Å; R9-D80 IonicContact NH1-OD2 2.69Å; R9-D80 PolarHBondContact NH1-OD2 3.39Å; R9-D80 VanDerWaalsContact NH2-CG 3.31Å; R9-D80 IonicContact NH2-OD1 3.23Å; R9-D80 PolarHBondContact NH2-OD1 3.47Å; R9-D80 IonicContact NH2-OD2 3.77Å; R9-D80 PolarHBondContact NH2-OD2 3.29Å; R9-D80 VanDerWaalsContact NH2-OD2 3.12Å
10K98.6Very high96Very high142 Ų14277.2 Ų77.262%0.61738%0.376SS*.Hα-helixtrans-63.9-41.3-179.9-72.7175.9-176.7176.90111.7D6 F7 Q13 S14D6-K10 WeakPolarHBondContact O-CB 3.37Å; D6-K10 VanDerWaalsContact O-CG 3.28Å; D6-K10 WeakPolarHBondContact O-CG 3.32Å; D6-K10 PolarHBondContact O-N 3.17Å; D6-K10 VanDerWaalsContact O-N 3.07Å; F7-K10 PolarHBondContact O-N 2.76Å; K10-Q13 PolarHBondContact O-N 3.37Å; K10-S14 VanDerWaalsContact O-CB 3.29Å; K10-S14 WeakPolarHBondContact O-CB 3.29Å; K10-S14 PolarHBondContact O-N 2.97Å
11T98.7Very high96.1Very high18 Ų1875.5 Ų75.511%0.1137%0.366CS..Hα-helixtrans-61.4-49.6177.5-660000111.1F7 E8 R9 S14 I15 V127 A130F7-T11 WeakPolarHBondContact CE2-OG1 3.47Å; F7-T11 WeakPolarHBondContact CZ-OG1 3.47Å; F7-T11 VanDerWaalsContact O-CB 3.3Å; F7-T11 WeakPolarHBondContact O-CB 3.43Å; F7-T11 PolarHBondContact O-N 2.72Å; F7-T11 PolarHBondContact O-OG1 3.16Å; E8-T11 PolarHBondContact O-N 2.91Å; R9-T11 PolarHBondContact O-N 3.41Å; T11-S14 PolarHBondContact O-N 3.45Å; T11-I15 HydrophobicContact CG2-CD1 4.05Å; T11-I15 VanDerWaalsContact O-CG1 3.31Å; T11-I15 WeakPolarHBondContact O-CG1 3.46Å; T11-I15 PolarHBondContact O-N 2.84Å; T11-V127 HydrophobicContact CG2-CB 4.31Å; T11-V127 HydrophobicContact CG2-CG1 4.02Å; T11-V127 HydrophobicContact CG2-CG2 4.17Å; T11-A130 HydrophobicContact CG2-CB 3.98Å
12I98.7Very high97.6Very high0 Ų071.1 Ų71.10%035%0.346CS..Hα-helixtrans-62.4-47.8179-67.2156.3000110.1W4 E8 R9 S14 I15 F16 V76 M79 F134W4-I12 HydrophobicContact CE3-CD1 4.17Å; W4-I12 HydrophobicContact CZ3-CD1 3.86Å; E8-I12 WeakPolarHBondContact O-CB 3.29Å; E8-I12 VanDerWaalsContact O-CD1 3.29Å; E8-I12 WeakPolarHBondContact O-CD1 3.3Å; E8-I12 VanDerWaalsContact O-CG1 3.25Å; E8-I12 WeakPolarHBondContact O-CG1 3.12Å; E8-I12 PolarHBondContact O-N 3.34Å; R9-I12 PolarHBondContact O-N 2.98Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 2.79Å; I12-I15 PolarHBondContact O-N 2.94Å; I12-F16 HydrophobicContact CG2-CD2 4.04Å; I12-F16 HydrophobicContact CG2-CE2 4.11Å; I12-F16 VanDerWaalsContact O-CD2 3.29Å; I12-F16 WeakPolarHBondContact O-CD2 3.3Å; I12-F16 PolarHBondContact O-N 3.27Å; I12-F16 VanDerWaalsContact O-N 3.14Å; I12-V76 HydrophobicContact CG2-CG1 4.37Å; I12-V76 HydrophobicContact CG2-CG2 4.01Å; I12-M79 HydrophobicContact CD1-CE 3.4Å; I12-M79 HydrophobicContact CD1-SD 4.33Å; I12-M79 HydrophobicContact CG2-SD 4.43Å; I12-F134 HydrophobicContact CD1-CB 3.65Å; I12-F134 HydrophobicContact CD1-CD2 4.16Å; I12-F134 HydrophobicContact CD1-CG 4.16Å; I12-F134 HydrophobicContact CG1-CB 4.04Å; I12-F134 HydrophobicContact CG1-CG 4.4Å; I12-F134 HydrophobicContact CG2-CD2 3.97Å; I12-F134 HydrophobicContact CG2-CE2 4.21Å; I12-F134 HydrophobicContact CG2-CG 4.11Å
13Q98.5Very high98Very high83 Ų8370.8 Ų70.839%0.38834%0.342SS..Hα-helixtrans-56.3-48.2176.2-73.6171-1.100111.7R9 K10 I15 F16 E17 V76R9-Q13 WeakPolarHBondContact O-CB 3.39Å; R9-Q13 VanDerWaalsContact O-CG 3.27Å; R9-Q13 WeakPolarHBondContact O-CG 3.45Å; R9-Q13 PolarHBondContact O-N 3.47Å; K10-Q13 PolarHBondContact O-N 3.37Å; Q13-I15 VanDerWaalsContact C-N 3.34Å; Q13-I15 PolarHBondContact O-N 2.84Å; Q13-F16 PolarHBondContact O-N 3.01Å; Q13-E17 WeakPolarHBondContact O-CB 3.41Å; Q13-E17 WeakPolarHBondContact O-CG 3.32Å; Q13-E17 PolarHBondContact O-N 3.47Å; Q13-V76 HydrophobicContact CG-CG1 4.17Å
14S98.3Very high98.2Very high38 Ų3864.4 Ų64.427%0.26631%0.313SS..Hα-helixtrans-63.9-37.3-178.9-1680000113.1K10 T11 I12 K18K10-S14 VanDerWaalsContact O-CB 3.29Å; K10-S14 WeakPolarHBondContact O-CB 3.29Å; K10-S14 PolarHBondContact O-N 2.97Å; T11-S14 PolarHBondContact O-N 3.45Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S14 PolarHBondContact O-N 2.79Å; S14-K18 WeakPolarHBondContact O-CG 3.38Å; S14-K18 PolarHBondContact O-N 2.98Å; S14-K18 PolarHBondContact OG-NZ 2.88Å
15I98.4Very high98.2Very high12 Ų1263.7 Ų63.76%0.06231%0.311CS..Hα-helixtrans-59.3-50.8174-72.3168.6000109.7T11 I12 Q13 K18 M19 V115 M119 V127 F131T11-I15 HydrophobicContact CG2-CD1 4.05Å; T11-I15 VanDerWaalsContact O-CG1 3.31Å; T11-I15 WeakPolarHBondContact O-CG1 3.46Å; T11-I15 PolarHBondContact O-N 2.84Å; I12-I15 PolarHBondContact O-N 2.94Å; Q13-I15 VanDerWaalsContact C-N 3.34Å; Q13-I15 PolarHBondContact O-N 2.84Å; I15-K18 PolarHBondContact O-N 3.36Å; I15-M19 HydrophobicContact CG2-CE 3.43Å; I15-M19 VanDerWaalsContact CG2-CE 3.43Å; I15-M19 WeakPolarHBondContact O-CB 3.25Å; I15-M19 PolarHBondContact O-N 3.31Å; I15-M19 VanDerWaalsContact O-N 3.09Å; I15-V115 HydrophobicContact CG2-CG1 4.17Å; I15-M119 HydrophobicContact CG1-CE 4.3Å; I15-M119 HydrophobicContact CG1-SD 4.04Å; I15-V127 HydrophobicContact CD1-CG1 3.91Å; I15-F131 HydrophobicContact CD1-CB 4.13Å; I15-F131 HydrophobicContact CD1-CD2 3.76Å; I15-F131 HydrophobicContact CD1-CG 4.21Å; I15-F131 HydrophobicContact CG2-CD2 4.19Å; I15-F131 HydrophobicContact CG2-CE2 3.95Å
16F98.3Very high98.2Very high13 Ų1361 Ų616%0.05730%0.295CS..Hα-helixtrans-70.6-33.7-176.5-82.4-98.3000113.1I12 Q13 K18 M19 Y21 L69 L72 V76 F131 F134I12-F16 HydrophobicContact CG2-CD2 4.04Å; I12-F16 HydrophobicContact CG2-CE2 4.11Å; I12-F16 VanDerWaalsContact O-CD2 3.29Å; I12-F16 WeakPolarHBondContact O-CD2 3.3Å; I12-F16 PolarHBondContact O-N 3.27Å; I12-F16 VanDerWaalsContact O-N 3.14Å; Q13-F16 PolarHBondContact O-N 3.01Å; F16-K18 VanDerWaalsContact C-N 3.33Å; F16-K18 PolarHBondContact O-N 3.38Å; F16-M19 PolarHBondContact O-N 3.49Å; F16-Y21 WeakPolarHBondContact CD1-OH 3.28Å; F16-L69 HydrophobicContact CE1-CD2 3.94Å; F16-L72 HydrophobicContact CE1-CB 3.58Å; F16-L72 HydrophobicContact CE1-CD1 4.31Å; F16-L72 HydrophobicContact CZ-CB 3.8Å; F16-L72 HydrophobicContact CZ-CD1 4.09Å; F16-V76 HydrophobicContact CB-CG2 4.39Å; F16-V76 HydrophobicContact CD1-CG2 3.81Å; F16-V76 HydrophobicContact CD2-CG2 3.57Å; F16-V76 HydrophobicContact CE1-CG2 3.93Å; F16-V76 HydrophobicContact CE2-CG2 3.65Å; F16-V76 HydrophobicContact CG-CG2 3.65Å; F16-V76 HydrophobicContact CZ-CG2 3.85Å; F16-F131 AromaticContact CE2-CE2 3.84Å; F16-F131 HydrophobicContact CE2-CE2 3.84Å; F16-F131 HydrophobicContact CZ-CE2 4.37Å; F16-F134 HydrophobicContact CE2-CD1 4.21Å; F16-F134 AromaticContact CE2-CE1 3.73Å; F16-F134 HydrophobicContact CE2-CE1 3.73Å; F16-F134 HydrophobicContact CE2-CZ 4.25Å; F16-F134 HydrophobicContact CZ-CD1 4.43Å; F16-F134 AromaticContact CZ-CE1 3.62Å; F16-F134 HydrophobicContact CZ-CE1 3.62Å; F16-F134 HydrophobicContact CZ-CZ 4.15Å
17E97.4Very high98.2Very high155 Ų15556.8 Ų56.872%0.72428%0.276SS*.Hα-helixtrans-64.6-35174.9-76.6173.1175.500113.3Q13Q13-E17 WeakPolarHBondContact O-CB 3.41Å; Q13-E17 WeakPolarHBondContact O-CG 3.32Å; Q13-E17 PolarHBondContact O-N 3.47Å
18K96.5Very high98.3Very high166 Ų16652.1 Ų52.172%0.72226%0.257SS*.Hα-helixtrans-92.8-9.5-178.3-66.5173.6-179.2168.60113.2S14 I15 F16 D20S14-K18 WeakPolarHBondContact O-CG 3.38Å; S14-K18 PolarHBondContact O-N 2.98Å; S14-K18 PolarHBondContact OG-NZ 2.88Å; I15-K18 PolarHBondContact O-N 3.36Å; F16-K18 VanDerWaalsContact C-N 3.33Å; F16-K18 PolarHBondContact O-N 3.38Å; K18-D20 PolarHBondContact O-N 3.07Å
19M96.9Very high98.3Very high23 Ų2351.1 Ų51.111%0.11325%0.252CS..  trans-70.4130.7-174.5-165.2170.1-58.100110.7I15 F16 Y21 V24 L69 V115I15-M19 HydrophobicContact CG2-CE 3.43Å; I15-M19 VanDerWaalsContact CG2-CE 3.43Å; I15-M19 WeakPolarHBondContact O-CB 3.25Å; I15-M19 PolarHBondContact O-N 3.31Å; I15-M19 VanDerWaalsContact O-N 3.09Å; F16-M19 PolarHBondContact O-N 3.49Å; M19-Y21 HydrophobicContact CB-CD2 4.24Å; M19-Y21 HydrophobicContact CB-CE2 3.94Å; M19-Y21 HydrophobicContact CG-CD2 4.41Å; M19-Y21 HydrophobicContact CG-CE2 4.4Å; M19-Y21 VanDerWaalsContact O-CD2 3.31Å; M19-Y21 WeakPolarHBondContact O-CD2 3.46Å; M19-Y21 PolarHBondContact O-N 3.35Å; M19-V24 HydrophobicContact CG-CB 3.93Å; M19-V24 HydrophobicContact CG-CG1 4.2Å; M19-V24 HydrophobicContact CG-CG2 3.77Å; M19-V24 HydrophobicContact SD-CB 4.05Å; M19-V24 HydrophobicContact SD-CG1 3.7Å; M19-V24 HydrophobicContact SD-CG2 4.37Å; M19-L69 HydrophobicContact SD-CD1 3.78Å; M19-L69 HydrophobicContact SD-CD2 3.41Å; M19-L69 WeakPolarHBondContact SD-CD2 3.35Å; M19-L69 HydrophobicContact SD-CG 4.22Å; M19-V115 HydrophobicContact CE-CG2 3.76Å
20D98.1Very high98.3Very high94 Ų9448.5 Ų48.550%0.50324%0.244SC..  trans-84.5109.2166.1-176.4-7.4000109.1K18 D22 D23 V24K18-D20 PolarHBondContact O-N 3.07Å; D20-D22 VanDerWaalsContact C-N 3.3Å; D20-D22 PolarHBondContact O-N 3.41Å; D20-D22 PolarHBondContact OD1-N 2.93Å; D20-D23 HydrophobicContact CB-CB 4.21Å; D20-D23 PolarHBondContact O-N 3.18Å; D20-D23 PolarHBondContact OD1-N 3.45Å; D20-V24 WeakPolarHBondContact O-CB 3.49Å; D20-V24 WeakPolarHBondContact O-CG2 3.46Å; D20-V24 PolarHBondContact O-N 3.16Å
21Y98.1Very high98.3Very high43 Ų4346.5 Ų46.517%0.16923%0.232CC..Hα-helixtrans-73.4-27.1-176.8-75.3-125.7000111.4F16 M19 D23 G25 P26 K66 L69 R70 D73F16-Y21 WeakPolarHBondContact CD1-OH 3.28Å; M19-Y21 HydrophobicContact CB-CD2 4.24Å; M19-Y21 HydrophobicContact CB-CE2 3.94Å; M19-Y21 HydrophobicContact CG-CD2 4.41Å; M19-Y21 HydrophobicContact CG-CE2 4.4Å; M19-Y21 VanDerWaalsContact O-CD2 3.31Å; M19-Y21 WeakPolarHBondContact O-CD2 3.46Å; M19-Y21 PolarHBondContact O-N 3.35Å; Y21-D23 PolarHBondContact O-N 2.91Å; Y21-G25 PolarHBondContact O-N 3.12Å; Y21-P26 WeakPolarHBondContact O-CD 3.45Å; Y21-K66 WeakPolarHBondContact O-CG 3.47Å; Y21-L69 HydrophobicContact CD1-CB 3.79Å; Y21-L69 HydrophobicContact CD1-CD2 4.24Å; Y21-L69 HydrophobicContact CD1-CG 4.4Å; Y21-L69 HydrophobicContact CE1-CB 4.06Å; Y21-L69 HydrophobicContact CE1-CD2 3.92Å; Y21-R70 HydrophobicContact CD1-CG 4.02Å; Y21-R70 HydrophobicContact CE1-CG 4.2Å; Y21-D73 PolarHBondContact OH-OD1 3.06Å
22D97.9Very high98.3Very high105 Ų10546 Ų4656%0.56123%0.229SC*.Hα-helixtrans-73.7-17.2177.4-74.2-55.3000112.3D20 P26 K66D20-D22 VanDerWaalsContact C-N 3.3Å; D20-D22 PolarHBondContact O-N 3.41Å; D20-D22 PolarHBondContact OD1-N 2.93Å; D22-P26 WeakPolarHBondContact O-CG 3.32Å; D22-K66 WeakPolarHBondContact OD1-CD 3.49Å; D22-K66 WeakPolarHBondContact OD1-CE 3.44Å; D22-K66 IonicContact OD1-NZ 3.12Å; D22-K66 PolarHBondContact OD1-NZ 3.12Å
23D98.1Very high98.3Very high51 Ų5146 Ų4627%0.27323%0.229SC..Hα-helixtrans-100.2-56.7171.6173.862.1000112.5D20 Y21 G25 P26 A27 R118D20-D23 HydrophobicContact CB-CB 4.21Å; D20-D23 PolarHBondContact O-N 3.18Å; D20-D23 PolarHBondContact OD1-N 3.45Å; Y21-D23 PolarHBondContact O-N 2.91Å; D23-G25 PolarHBondContact O-N 3.43Å; D23-P26 WeakPolarHBondContact O-CD 3.28Å; D23-A27 WeakPolarHBondContact O-CB 3.31Å; D23-A27 PolarHBondContact O-N 3.36Å; D23-R118 IonicContact OD1-CZ 3.82Å; D23-R118 IonicContact OD1-NE 3.39Å; D23-R118 IonicContact OD1-NH2 2.69Å; D23-R118 PolarHBondContact OD1-NH2 2.96Å; D23-R118 IonicContact OD2-CZ 2.76Å; D23-R118 IonicContact OD2-NE 3.51Å; D23-R118 PolarHBondContact OD2-NE 3.01Å; D23-R118 IonicContact OD2-NH2 3.55Å; D23-R118 PolarHBondContact OD2-NH2 3.38Å
24V98.7Very high98.3Very high4 Ų444.9 Ų44.92%0.02423%0.228CC..Hα-helixtrans-68.1-39.7-168.5176.10000112.3M19 D20 A27 A28 L69 L111 V114 V115 R118M19-V24 HydrophobicContact CG-CB 3.93Å; M19-V24 HydrophobicContact CG-CG1 4.2Å; M19-V24 HydrophobicContact CG-CG2 3.77Å; M19-V24 HydrophobicContact SD-CB 4.05Å; M19-V24 HydrophobicContact SD-CG1 3.7Å; M19-V24 HydrophobicContact SD-CG2 4.37Å; D20-V24 WeakPolarHBondContact O-CB 3.49Å; D20-V24 WeakPolarHBondContact O-CG2 3.46Å; D20-V24 PolarHBondContact O-N 3.16Å; V24-A27 PolarHBondContact O-N 3.29Å; V24-A28 VanDerWaalsContact O-CB 3.29Å; V24-A28 WeakPolarHBondContact O-CB 3.29Å; V24-A28 PolarHBondContact O-N 2.97Å; V24-L69 HydrophobicContact CB-CD1 3.81Å; V24-L69 HydrophobicContact CG1-CD1 3.64Å; V24-L111 HydrophobicContact CG1-CD1 3.62Å; V24-V114 HydrophobicContact CB-CG1 4.32Å; V24-V114 HydrophobicContact CG1-CG1 3.88Å; V24-V114 HydrophobicContact CG2-CG1 4.34Å; V24-V115 HydrophobicContact CG1-CG2 4.11Å; V24-R118 HydrophobicContact CG2-CG 4.22Å
25G98.6Very high98.3Very high2 Ų246.6 Ų46.62%0.02124%0.236CC..Hα-helixtrans-62.3-58.5-179.300000112.3Y21 D23 A27 A28 L29 G65 L69Y21-G25 PolarHBondContact O-N 3.12Å; D23-G25 PolarHBondContact O-N 3.43Å; G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 2.74Å; G25-A28 PolarHBondContact O-N 2.69Å; G25-L29 PolarHBondContact O-N 2.82Å; G25-L29 VanDerWaalsContact O-N 3.14Å; G25-G65 WeakPolarHBondContact O-CA 3.41Å; G25-L69 VanDerWaalsContact CA-CD1 3.42Å
26P98.8Very high98.4Very high20 Ų2048.4 Ų48.413%0.1324%0.243CC..Hα-helixtrans-54.6-43.5174.1-29.237.8000113.1Y21 D22 D23 S30 A62 K66Y21-P26 WeakPolarHBondContact O-CD 3.45Å; D22-P26 WeakPolarHBondContact O-CG 3.32Å; D23-P26 WeakPolarHBondContact O-CD 3.28Å; P26-S30 WeakPolarHBondContact O-CB 3.47Å; P26-S30 PolarHBondContact O-N 3.12Å; P26-S30 PolarHBondContact O-OG 3.17Å; P26-A62 HydrophobicContact CB-CB 3.91Å; P26-A62 HydrophobicContact CG-CB 3.84Å; P26-K66 HydrophobicContact CG-CG 4.33Å
27A98.8Very high98.4Very high29 Ų2951 Ų5124%0.2426%0.261CS..Hα-helixtrans-64.7-42.9-179.200000112.6D23 V24 G25 R31 V114D23-A27 WeakPolarHBondContact O-CB 3.31Å; D23-A27 PolarHBondContact O-N 3.36Å; V24-A27 PolarHBondContact O-N 3.29Å; G25-A27 VanDerWaalsContact C-N 3.3Å; G25-A27 PolarHBondContact O-N 2.74Å; A27-R31 VanDerWaalsContact O-CB 3.24Å; A27-R31 WeakPolarHBondContact O-CB 3.29Å; A27-R31 PolarHBondContact O-N 3Å; A27-V114 HydrophobicContact CB-CG1 3.85Å; A27-V114 HydrophobicContact CB-CG2 4.19Å
28A98.9Very high98.4Very high6 Ų650.2 Ų50.25%0.0525%0.252CS..Hα-helixtrans-67-46.5-179.600000112.2V24 G25 R31 C32 L111 V114V24-A28 VanDerWaalsContact O-CB 3.29Å; V24-A28 WeakPolarHBondContact O-CB 3.29Å; V24-A28 PolarHBondContact O-N 2.97Å; G25-A28 PolarHBondContact O-N 2.69Å; A28-R31 PolarHBondContact O-N 3.35Å; A28-C32 PolarHBondContact O-N 3.19Å; A28-L111 HydrophobicContact CB-CB 4.25Å; A28-L111 HydrophobicContact CB-CD1 4.01Å; A28-V114 HydrophobicContact CB-CG2 4.34Å
29L98.9Very high98.5Very high7 Ų742.5 Ų42.54%0.03722%0.219CC..Hα-helixtrans-67.3-44.1178.2-176.259.6000111.4G25 R31 C32 L33 F43 V61 H64 L107G25-L29 PolarHBondContact O-N 2.82Å; G25-L29 VanDerWaalsContact O-N 3.14Å; L29-R31 VanDerWaalsContact C-N 3.31Å; L29-R31 PolarHBondContact O-N 3.43Å; L29-C32 WeakPolarHBondContact O-CB 3.42Å; L29-C32 PolarHBondContact O-N 3.19Å; L29-C32 VanDerWaalsContact O-N 3.13Å; L29-L33 HydrophobicContact CD1-CG 4.36Å; L29-L33 HydrophobicContact CG-CD1 4.34Å; L29-L33 HydrophobicContact CG-CG 4.46Å; L29-L33 WeakPolarHBondContact O-CG 3.27Å; L29-L33 PolarHBondContact O-N 3.34Å; L29-F43 HydrophobicContact CD1-CE2 4.38Å; L29-F43 HydrophobicContact CD1-CZ 4.08Å; L29-V61 HydrophobicContact CB-CG1 4.37Å; L29-V61 HydrophobicContact CD2-CG1 4.06Å; L29-V61 HydrophobicContact CG-CG1 4.05Å; L29-H64 HydrophobicContact CD2-CB 3.95Å; L29-L107 HydrophobicContact CD1-CD1 4.48Å
30S98.8Very high98.6Very high7 Ų743.9 Ų43.95%0.04923%0.225CC..Hα-helixtrans-58.9-44176.6-59.70000111.5P26 C32 L33 V34 V61P26-S30 WeakPolarHBondContact O-CB 3.47Å; P26-S30 PolarHBondContact O-N 3.12Å; P26-S30 PolarHBondContact O-OG 3.17Å; S30-C32 VanDerWaalsContact C-N 3.33Å; S30-C32 PolarHBondContact O-N 2.8Å; S30-L33 PolarHBondContact O-N 3.37Å; S30-V34 VanDerWaalsContact O-CG2 3.29Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.14Å; S30-V61 WeakPolarHBondContact OG-CG1 3.45Å
31R98.8Very high98.6Very high101 Ų10147.1 Ų47.138%0.38123%0.23SC..Hα-helixtrans-58.5-45.5174.9179.7-176.7-78.6-85.22.1111.2A27 A28 L29 V34 V35 C110A27-R31 VanDerWaalsContact O-CB 3.24Å; A27-R31 WeakPolarHBondContact O-CB 3.29Å; A27-R31 PolarHBondContact O-N 3Å; A28-R31 PolarHBondContact O-N 3.35Å; L29-R31 VanDerWaalsContact C-N 3.31Å; L29-R31 PolarHBondContact O-N 3.43Å; R31-V34 PolarHBondContact O-N 2.89Å; R31-V35 HydrophobicContact CG-CG2 3.96Å; R31-V35 WeakPolarHBondContact O-CB 3.46Å; R31-V35 VanDerWaalsContact O-CG2 3.29Å; R31-V35 WeakPolarHBondContact O-CG2 3.26Å; R31-V35 PolarHBondContact O-N 3.39Å; R31-C110 HydrophobicContact CB-CB 4.46Å; R31-C110 HydrophobicContact CG-CB 4.23Å
32C98.9Very high98.6Very high6 Ų647.8 Ų47.84%0.04123%0.232CC..Hα-helixtrans-60.5-46.8178.7-170.80000111.7A28 L29 S30 V34 Y36 L107 C110A28-C32 PolarHBondContact O-N 3.19Å; L29-C32 WeakPolarHBondContact O-CB 3.42Å; L29-C32 PolarHBondContact O-N 3.19Å; L29-C32 VanDerWaalsContact O-N 3.13Å; S30-C32 VanDerWaalsContact C-N 3.33Å; S30-C32 PolarHBondContact O-N 2.8Å; C32-V34 VanDerWaalsContact C-N 3.28Å; C32-V34 PolarHBondContact O-N 3.38Å; C32-Y36 CarbonylContact O-C 3.57Å; C32-Y36 WeakPolarHBondContact O-CA 3.45Å; C32-Y36 WeakPolarHBondContact O-CB 3.47Å; C32-Y36 PolarHBondContact O-N 2.99Å; C32-L107 HydrophobicContact CB-CD1 3.85Å; C32-C110 HydrophobicContact CB-CB 4.33Å
33L98.9Very high98.6Very high1 Ų144.2 Ų44.21%0.00521%0.212CC..Hα-helixtrans-65.1-28.9178.7-65.1-178.5000113.5L29 S30 T39 Q40 F43 L49 I55 V61L29-L33 HydrophobicContact CD1-CG 4.36Å; L29-L33 HydrophobicContact CG-CD1 4.34Å; L29-L33 HydrophobicContact CG-CG 4.46Å; L29-L33 WeakPolarHBondContact O-CG 3.27Å; L29-L33 PolarHBondContact O-N 3.34Å; S30-L33 PolarHBondContact O-N 3.37Å; L33-T39 WeakPolarHBondContact CD2-OG1 3.21Å; L33-Q40 HydrophobicContact CB-CG 4.22Å; L33-Q40 HydrophobicContact CD2-CG 4.08Å; L33-Q40 PolarHBondContact O-NE2 3.27Å; L33-F43 HydrophobicContact CD2-CD2 3.6Å; L33-F43 HydrophobicContact CD2-CE2 3.78Å; L33-L49 HydrophobicContact CD1-CD2 4.48Å; L33-I55 HydrophobicContact CB-CD1 4.25Å; L33-I55 HydrophobicContact CB-CG2 3.9Å; L33-I55 HydrophobicContact CD1-CG2 4.04Å; L33-V61 HydrophobicContact CD1-CG1 4.03Å; L33-V61 HydrophobicContact CD1-CG2 3.81Å
34V98.8Very high98.5Very high59 Ų5944.9 Ų44.936%0.35823%0.231SC..Hα-helixtrans-82.9-48.2177.9171.20000111.8S30 R31 C32 A52 I55S30-V34 VanDerWaalsContact O-CG2 3.29Å; S30-V34 WeakPolarHBondContact O-CG2 3.45Å; S30-V34 PolarHBondContact O-N 3.14Å; R31-V34 PolarHBondContact O-N 2.89Å; C32-V34 VanDerWaalsContact C-N 3.28Å; C32-V34 PolarHBondContact O-N 3.38Å; V34-A52 HydrophobicContact CG1-CB 4.27Å; V34-A52 HydrophobicContact CG2-CB 3.96Å; V34-I55 HydrophobicContact CG2-CB 4.31Å; V34-I55 HydrophobicContact CG2-CD1 3.78Å; V34-I55 HydrophobicContact CG2-CG2 4.2Å
35V98.8Very high98.4Very high74 Ų7452.3 Ų52.345%0.44827%0.27SS..Hα-helixtrans-75.1-34.2-175.4177.10000111.3R31 P37R31-V35 HydrophobicContact CG-CG2 3.96Å; R31-V35 WeakPolarHBondContact O-CB 3.46Å; R31-V35 VanDerWaalsContact O-CG2 3.29Å; R31-V35 WeakPolarHBondContact O-CG2 3.26Å; R31-V35 PolarHBondContact O-N 3.39Å; V35-P37 VanDerWaalsContact C-CD 3.49Å; V35-P37 VanDerWaalsContact O-CD 3.31Å; V35-P37 WeakPolarHBondContact O-CD 3.17Å
36Y98.8Very high98.4Very high51 Ų5153.7 Ų53.720%0.228%0.276CS..SBendtrans-121.471.5-178.1-53-60.6000109.9C32 W38 T39 L106C32-Y36 CarbonylContact O-C 3.57Å; C32-Y36 WeakPolarHBondContact O-CA 3.45Å; C32-Y36 WeakPolarHBondContact O-CB 3.47Å; C32-Y36 PolarHBondContact O-N 2.99Å; Y36-W38 AromaticContact CD1-CH2 3.55Å; Y36-W38 HydrophobicContact CD1-CH2 3.55Å; Y36-W38 AromaticContact CD1-CZ2 3.46Å; Y36-W38 HydrophobicContact CD1-CZ2 3.46Å; Y36-W38 VanDerWaalsContact CD1-CZ2 3.46Å; Y36-W38 HydrophobicContact CE1-CH2 4.44Å; Y36-W38 HydrophobicContact CE1-CZ2 4.42Å; Y36-W38 HydrophobicContact CG-CH2 4.35Å; Y36-W38 AromaticContact CG-CZ2 3.96Å; Y36-W38 HydrophobicContact CG-CZ2 3.96Å; Y36-W38 PolarHBondContact O-N 3.07Å; Y36-T39 WeakPolarHBondContact O-CB 3.46Å; Y36-T39 WeakPolarHBondContact O-CG2 3.45Å; Y36-T39 PolarHBondContact O-N 3.47Å; Y36-T39 PolarHBondContact O-OG1 3.46Å; Y36-L106 HydrophobicContact CD1-CD1 4.07Å; Y36-L106 HydrophobicContact CD1-CD2 4.33Å; Y36-L106 HydrophobicContact CD2-CB 3.7Å; Y36-L106 HydrophobicContact CD2-CD1 4.12Å; Y36-L106 HydrophobicContact CD2-CD2 4.46Å; Y36-L106 HydrophobicContact CD2-CG 4.31Å; Y36-L106 HydrophobicContact CE1-CD1 4.49Å; Y36-L106 HydrophobicContact CE1-CD2 3.92Å; Y36-L106 HydrophobicContact CE2-CB 3.69Å; Y36-L106 HydrophobicContact CE2-CD2 4.06Å; Y36-L106 HydrophobicContact CE2-CG 4.29Å; Y36-L106 HydrophobicContact CG-CB 4.3Å; Y36-L106 HydrophobicContact CG-CD1 3.84Å; Y36-L106 HydrophobicContact CG-CG 4.47Å
37P98.4Very high98.3Very high68 Ų6855.4 Ų55.444%0.44230%0.297SS..G310 helixtrans-61.4-22.3-167.523.2-34.6000114.3V35 T39 Q40V35-P37 VanDerWaalsContact C-CD 3.49Å; V35-P37 VanDerWaalsContact O-CD 3.31Å; V35-P37 WeakPolarHBondContact O-CD 3.17Å; P37-T39 PolarHBondContact O-N 2.92Å; P37-Q40 VanDerWaalsContact O-CB 3.27Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 VanDerWaalsContact O-CG 3.24Å; P37-Q40 WeakPolarHBondContact O-CG 3.31Å; P37-Q40 PolarHBondContact O-N 3.45Å; P37-Q40 VanDerWaalsContact O-N 3.09Å
38W98.6Very high98.3Very high137 Ų13758.9 Ų58.952%0.51931%0.312SS..G310 helixtrans-61.7-22.7173.355.985.3000113.3Y36 Q40 R41 N103 L106Y36-W38 AromaticContact CD1-CH2 3.55Å; Y36-W38 HydrophobicContact CD1-CH2 3.55Å; Y36-W38 AromaticContact CD1-CZ2 3.46Å; Y36-W38 HydrophobicContact CD1-CZ2 3.46Å; Y36-W38 VanDerWaalsContact CD1-CZ2 3.46Å; Y36-W38 HydrophobicContact CE1-CH2 4.44Å; Y36-W38 HydrophobicContact CE1-CZ2 4.42Å; Y36-W38 HydrophobicContact CG-CH2 4.35Å; Y36-W38 AromaticContact CG-CZ2 3.96Å; Y36-W38 HydrophobicContact CG-CZ2 3.96Å; Y36-W38 PolarHBondContact O-N 3.07Å; W38-Q40 PolarHBondContact O-N 3.3Å; W38-R41 WeakPolarHBondContact O-CD 3.25Å; W38-R41 WeakPolarHBondContact O-CG 3.36Å; W38-R41 PolarHBondContact O-N 3.46Å; W38-N103 PolarHBondContact NE1-OD1 3.45Å; W38-L106 HydrophobicContact CZ2-CD1 3.8Å
39T98.8Very high98.2Very high5 Ų559.4 Ų59.43%0.03131%0.313CS..G310 helixtrans-68.5-20.5176.362.20000112.7L33 Y36 P37 R41 Y42 F43 N103L33-T39 WeakPolarHBondContact CD2-OG1 3.21Å; Y36-T39 WeakPolarHBondContact O-CB 3.46Å; Y36-T39 WeakPolarHBondContact O-CG2 3.45Å; Y36-T39 PolarHBondContact O-N 3.47Å; Y36-T39 PolarHBondContact O-OG1 3.46Å; P37-T39 PolarHBondContact O-N 2.92Å; T39-R41 PolarHBondContact O-N 2.9Å; T39-R41 VanDerWaalsContact O-N 3.13Å; T39-Y42 VanDerWaalsContact O-CD2 3.31Å; T39-Y42 WeakPolarHBondContact O-CD2 3Å; T39-Y42 PolarHBondContact O-N 3.26Å; T39-F43 WeakPolarHBondContact O-CD2 3.38Å; T39-N103 HydrophobicContact CG2-CB 4.49Å
40Q98.6Very high98.1Very high52 Ų5268.6 Ų68.624%0.24335%0.349CS..G310 helixtrans-60.2-25.4177.5-62.3174.119.200112.7L33 P37 W38 Y42 F43 L49L33-Q40 HydrophobicContact CB-CG 4.22Å; L33-Q40 HydrophobicContact CD2-CG 4.08Å; L33-Q40 PolarHBondContact O-NE2 3.27Å; P37-Q40 VanDerWaalsContact O-CB 3.27Å; P37-Q40 WeakPolarHBondContact O-CB 3.5Å; P37-Q40 VanDerWaalsContact O-CG 3.24Å; P37-Q40 WeakPolarHBondContact O-CG 3.31Å; P37-Q40 PolarHBondContact O-N 3.45Å; P37-Q40 VanDerWaalsContact O-N 3.09Å; W38-Q40 PolarHBondContact O-N 3.3Å; Q40-Y42 PolarHBondContact O-N 2.88Å; Q40-Y42 VanDerWaalsContact O-N 3.07Å; Q40-F43 PolarHBondContact O-N 3.39Å; Q40-L49 HydrophobicContact CB-CD1 4.45Å; Q40-L49 PolarHBondContact OE1-O 3.27Å
41R98.3Very high98.1Very high161 Ų16171.9 Ų71.961%0.60837%0.366SS*.G310 helixtrans-56.9-25.7179.177.3-172.8176.5171.4-6.8113.8W38 T39 F43W38-R41 WeakPolarHBondContact O-CD 3.25Å; W38-R41 WeakPolarHBondContact O-CG 3.36Å; W38-R41 PolarHBondContact O-N 3.46Å; T39-R41 PolarHBondContact O-N 2.9Å; T39-R41 VanDerWaalsContact O-N 3.13Å; R41-F43 VanDerWaalsContact C-N 3.29Å
42Y98.4Very high98.1Very high57 Ų5769.1 Ų69.122%0.22437%0.365CS..G310 helixtrans-80.6-10.5179.6-59.3-62.3000113.6T39 Q40 R98 V99 D100T39-Y42 VanDerWaalsContact O-CD2 3.31Å; T39-Y42 WeakPolarHBondContact O-CD2 3Å; T39-Y42 PolarHBondContact O-N 3.26Å; Q40-Y42 PolarHBondContact O-N 2.88Å; Q40-Y42 VanDerWaalsContact O-N 3.07Å; Y42-R98 WeakPolarHBondContact CE1-O 3.48Å; Y42-R98 PolarHBondContact OH-O 2.94Å; Y42-V99 HydrophobicContact CD1-CG2 3.84Å; Y42-V99 HydrophobicContact CD2-CG2 4.44Å; Y42-V99 HydrophobicContact CE1-CB 4.29Å; Y42-V99 HydrophobicContact CE1-CG2 3.95Å; Y42-V99 HydrophobicContact CE2-CG1 4.27Å; Y42-V99 HydrophobicContact CG-CG2 4.1Å; Y42-V99 WeakPolarHBondContact OH-CA 3.22Å; Y42-D100 PolarHBondContact OH-N 3.16Å
43F98.2Very high98Very high31 Ų3172.2 Ų72.214%0.13639%0.391CS..G310 helixtrans-119.231.9-171.1-59.5-77.1000112.5L29 L33 T39 Q40 R41 N45 F46 L49 H64L29-F43 HydrophobicContact CD1-CE2 4.38Å; L29-F43 HydrophobicContact CD1-CZ 4.08Å; L33-F43 HydrophobicContact CD2-CD2 3.6Å; L33-F43 HydrophobicContact CD2-CE2 3.78Å; T39-F43 WeakPolarHBondContact O-CD2 3.38Å; Q40-F43 PolarHBondContact O-N 3.39Å; R41-F43 VanDerWaalsContact C-N 3.29Å; F43-N45 PolarHBondContact O-N 2.96Å; F43-F46 HydrophobicContact CB-CB 4.29Å; F43-F46 HydrophobicContact CB-CD1 4.29Å; F43-F46 HydrophobicContact CB-CD2 4.01Å; F43-F46 HydrophobicContact CB-CE2 4.44Å; F43-F46 HydrophobicContact CB-CG 3.93Å; F43-F46 HydrophobicContact CD1-CD1 4.36Å; F43-F46 AromaticContact CD1-CD2 3.88Å; F43-F46 HydrophobicContact CD1-CD2 3.88Å; F43-F46 AromaticContact CD1-CE1 3.97Å; F43-F46 HydrophobicContact CD1-CE1 3.97Å; F43-F46 AromaticContact CD1-CE2 3.44Å; F43-F46 HydrophobicContact CD1-CE2 3.44Å; F43-F46 VanDerWaalsContact CD1-CE2 3.44Å; F43-F46 HydrophobicContact CD1-CG 4.33Å; F43-F46 AromaticContact CD1-CZ 3.49Å; F43-F46 HydrophobicContact CD1-CZ 3.49Å; F43-F46 VanDerWaalsContact CD1-CZ 3.49Å; F43-F46 HydrophobicContact CE1-CE2 4.04Å; F43-F46 HydrophobicContact CE1-CZ 4.04Å; F43-F46 HydrophobicContact CG-CD2 4.26Å; F43-F46 HydrophobicContact CG-CE2 4.24Å; F43-F46 VanDerWaalsContact O-CB 3.31Å; F43-F46 WeakPolarHBondContact O-CB 3.48Å; F43-F46 PolarHBondContact O-N 3.32Å; F43-L49 HydrophobicContact CB-CD1 4Å; F43-H64 AromaticContact CE1-CD2 3.56Å; F43-H64 AromaticContact CE1-NE2 3.76Å
44G95.6Very high98Very high64 Ų6473.2 Ų73.266%0.6640%0.399SS*.G310 helixtrans-55.5-26.3-176.500000114.9F46G44-F46 VanDerWaalsContact C-N 3.31Å; G44-F46 PolarHBondContact O-N 3.3Å
45N96.7Very high98Very high160 Ų16070.5 Ų70.586%0.85638%0.383SS*.G310 helixtrans-85.53178.3-65.5-18.9000113.9F43 G47F43-N45 PolarHBondContact O-N 2.96Å; N45-G47 VanDerWaalsContact C-N 3.3Å
46F98.3Very high98Very high31 Ų3173.4 Ų73.414%0.13639%0.391CS..G310 helixtrans-88.21.2-177-74.925.8000112.4F43 G44 L49 N58 M60 V61 H64F43-F46 HydrophobicContact CB-CB 4.29Å; F43-F46 HydrophobicContact CB-CD1 4.29Å; F43-F46 HydrophobicContact CB-CD2 4.01Å; F43-F46 HydrophobicContact CB-CE2 4.44Å; F43-F46 HydrophobicContact CB-CG 3.93Å; F43-F46 HydrophobicContact CD1-CD1 4.36Å; F43-F46 AromaticContact CD1-CD2 3.88Å; F43-F46 HydrophobicContact CD1-CD2 3.88Å; F43-F46 AromaticContact CD1-CE1 3.97Å; F43-F46 HydrophobicContact CD1-CE1 3.97Å; F43-F46 AromaticContact CD1-CE2 3.44Å; F43-F46 HydrophobicContact CD1-CE2 3.44Å; F43-F46 VanDerWaalsContact CD1-CE2 3.44Å; F43-F46 HydrophobicContact CD1-CG 4.33Å; F43-F46 AromaticContact CD1-CZ 3.49Å; F43-F46 HydrophobicContact CD1-CZ 3.49Å; F43-F46 VanDerWaalsContact CD1-CZ 3.49Å; F43-F46 HydrophobicContact CE1-CE2 4.04Å; F43-F46 HydrophobicContact CE1-CZ 4.04Å; F43-F46 HydrophobicContact CG-CD2 4.26Å; F43-F46 HydrophobicContact CG-CE2 4.24Å; F43-F46 VanDerWaalsContact O-CB 3.31Å; F43-F46 WeakPolarHBondContact O-CB 3.48Å; F43-F46 PolarHBondContact O-N 3.32Å; G44-F46 VanDerWaalsContact C-N 3.31Å; G44-F46 PolarHBondContact O-N 3.3Å; F46-L49 HydrophobicContact CB-CD1 4.36Å; F46-N58 PolarHBondContact O-ND2 3.19Å; F46-M60 HydrophobicContact CB-CB 4.03Å; F46-M60 HydrophobicContact CD1-CB 4.19Å; F46-M60 HydrophobicContact CD1-CE 4.46Å; F46-M60 HydrophobicContact CD2-CB 3.79Å; F46-M60 HydrophobicContact CE1-CE 4.41Å; F46-M60 HydrophobicContact CE2-CB 4.25Å; F46-M60 WeakPolarHBondContact CE2-O 3.44Å; F46-M60 HydrophobicContact CG-CB 3.75Å; F46-V61 HydrophobicContact CD2-CG2 3.92Å; F46-H64 HydrophobicContact CE2-CB 3.56Å; F46-H64 HydrophobicContact CZ-CB 3.61Å; F46-H64 AromaticContact CZ-CG 3.72Å
47G97.1Very high97.9Very high56 Ų5674 Ų7458%0.57741%0.413SS*.  trans80.3-137.8179.500000112.3N45 L49N45-G47 VanDerWaalsContact C-N 3.3Å; G47-L49 PolarHBondContact O-N 3.46Å
48N97.3Very high98Very high103 Ų10371.4 Ų71.455%0.55140%0.396SS*.  trans-72.8115.6-172.8-174.38.2000112.1Y50 N58N48-Y50 VanDerWaalsContact OD1-CB 3.27Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.45Å; N48-Y50 PolarHBondContact OD1-N 3.26Å; N48-N58 PolarHBondContact O-ND2 3.13Å
49L98.4Very high98Very high16 Ų1669.8 Ų69.88%0.08440%0.402CS..  trans-123.819.3173.7-58.6178000112.3L33 Q40 F43 F46 G47 N51 I55 N58 V61L33-L49 HydrophobicContact CD1-CD2 4.48Å; Q40-L49 HydrophobicContact CB-CD1 4.45Å; Q40-L49 PolarHBondContact OE1-O 3.27Å; F43-L49 HydrophobicContact CB-CD1 4Å; F46-L49 HydrophobicContact CB-CD1 4.36Å; G47-L49 PolarHBondContact O-N 3.46Å; L49-N51 VanDerWaalsContact C-N 3.35Å; L49-N51 PolarHBondContact O-N 3.17Å; L49-I55 HydrophobicContact CB-CG1 4Å; L49-I55 HydrophobicContact CD2-CG1 3.98Å; L49-I55 WeakPolarHBondContact O-CD1 3.36Å; L49-N58 HydrophobicContact CD2-CB 4.48Å; L49-V61 HydrophobicContact CD2-CG2 3.64Å
50Y96.3Very high98Very high201 Ų20174.1 Ų74.179%0.78842%0.424SS*.SBendtrans-63.2-34-169175.6-106.5000114.7N48N48-Y50 VanDerWaalsContact OD1-CB 3.27Å; N48-Y50 WeakPolarHBondContact OD1-CB 3.45Å; N48-Y50 PolarHBondContact OD1-N 3.26Å
51N98.1Very high98Very high76 Ų7671.6 Ų71.641%0.40641%0.412SS..SBendtrans-142.2169.7-178.366.442.7000111.5L49 A53 A54 I55L49-N51 VanDerWaalsContact C-N 3.35Å; L49-N51 PolarHBondContact O-N 3.17Å; N51-A53 VanDerWaalsContact C-N 3.34Å; N51-A53 PolarHBondContact O-N 3.49Å; N51-A53 PolarHBondContact OD1-N 3.37Å; N51-A54 PolarHBondContact O-N 3.39Å; N51-A54 WeakPolarHBondContact OD1-CB 3.43Å; N51-A54 PolarHBondContact OD1-N 3.47Å; N51-I55 WeakPolarHBondContact O-CG1 3.37Å; N51-I55 PolarHBondContact O-N 3.04Å
52A98.4Very high98Very high43 Ų4365.3 Ų65.336%0.35539%0.394SS..Hα-helixtrans-58.2-41.8-175.500000113.4V34 I55 Q56V34-A52 HydrophobicContact CG1-CB 4.27Å; V34-A52 HydrophobicContact CG2-CB 3.96Å; A52-I55 PolarHBondContact O-N 3.48Å; A52-Q56 WeakPolarHBondContact O-CB 3.42Å; A52-Q56 VanDerWaalsContact O-CG 3.26Å; A52-Q56 WeakPolarHBondContact O-CG 3.28Å; A52-Q56 PolarHBondContact O-N 2.99Å
53A98.4Very high98Very high71 Ų7164.8 Ų64.859%0.58740%0.402SS*.Hα-helixtrans-64.9-41.5178.500000111.7N51 G57N51-A53 VanDerWaalsContact C-N 3.34Å; N51-A53 PolarHBondContact O-N 3.49Å; N51-A53 PolarHBondContact OD1-N 3.37Å; A53-G57 PolarHBondContact O-N 3.14Å
54A98.4Very high98Very high21 Ų2166.3 Ų66.317%0.17441%0.409CS..Hα-helixtrans-62.9-43.8175.200000111.5N51 N58N51-A54 PolarHBondContact O-N 3.39Å; N51-A54 WeakPolarHBondContact OD1-CB 3.43Å; N51-A54 PolarHBondContact OD1-N 3.47Å; A54-N58 WeakPolarHBondContact O-CB 3.21Å; A54-N58 PolarHBondContact O-N 2.86Å
55I98.8Very high98.2Very high2 Ų263.4 Ų63.41%0.0138%0.379CS..Hα-helixtrans-63.2-49.6177.4-67.2165000111L33 V34 L49 N51 A52 G57 N58 V61L33-I55 HydrophobicContact CB-CD1 4.25Å; L33-I55 HydrophobicContact CB-CG2 3.9Å; L33-I55 HydrophobicContact CD1-CG2 4.04Å; V34-I55 HydrophobicContact CG2-CB 4.31Å; V34-I55 HydrophobicContact CG2-CD1 3.78Å; V34-I55 HydrophobicContact CG2-CG2 4.2Å; L49-I55 HydrophobicContact CB-CG1 4Å; L49-I55 HydrophobicContact CD2-CG1 3.98Å; L49-I55 WeakPolarHBondContact O-CD1 3.36Å; N51-I55 WeakPolarHBondContact O-CG1 3.37Å; N51-I55 PolarHBondContact O-N 3.04Å; A52-I55 PolarHBondContact O-N 3.48Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-G57 PolarHBondContact O-N 2.94Å; I55-N58 VanDerWaalsContact O-CB 3.29Å; I55-N58 WeakPolarHBondContact O-CB 3.26Å; I55-N58 PolarHBondContact O-N 3.42Å; I55-N58 VanDerWaalsContact O-N 3.16Å; I55-V61 HydrophobicContact CG2-CG1 4.47Å
56Q97.9Very high98.3Very high135 Ų13558.4 Ų58.463%0.63135%0.35SS*.Hα-helixtrans-65.7-34.5-177.7-73.1173.4-25.400112.7A52 N58A52-Q56 WeakPolarHBondContact O-CB 3.42Å; A52-Q56 VanDerWaalsContact O-CG 3.26Å; A52-Q56 WeakPolarHBondContact O-CG 3.28Å; A52-Q56 PolarHBondContact O-N 2.99Å; Q56-N58 VanDerWaalsContact C-N 3.3Å
57G98Very high98.3Very high64 Ų6461 Ų6166%0.6637%0.368SS*.THydrogen-bonded Turntrans-83.61175.600000114.5A53 I55 P59A53-G57 PolarHBondContact O-N 3.14Å; I55-G57 VanDerWaalsContact C-N 3.33Å; I55-G57 PolarHBondContact O-N 2.94Å; G57-P59 WeakPolarHBondContact O-CD 3.41Å
58N98.7Very high98.3Very high14 Ų1460.7 Ų60.78%0.07536%0.355CS..  trans-81.5117.5-172.8-170.3-51.3000111.6F46 N48 L49 A54 I55 Q56 M60 V61 A62F46-N58 PolarHBondContact O-ND2 3.19Å; N48-N58 PolarHBondContact O-ND2 3.13Å; L49-N58 HydrophobicContact CD2-CB 4.48Å; A54-N58 WeakPolarHBondContact O-CB 3.21Å; A54-N58 PolarHBondContact O-N 2.86Å; I55-N58 VanDerWaalsContact O-CB 3.29Å; I55-N58 WeakPolarHBondContact O-CB 3.26Å; I55-N58 PolarHBondContact O-N 3.42Å; I55-N58 VanDerWaalsContact O-N 3.16Å; Q56-N58 VanDerWaalsContact C-N 3.3Å; N58-M60 VanDerWaalsContact C-N 3.29Å; N58-M60 PolarHBondContact O-N 3.02Å; N58-M60 WeakPolarHBondContact OD1-CA 3.31Å; N58-M60 WeakPolarHBondContact OD1-CB 3.29Å; N58-M60 PolarHBondContact OD1-N 3.21Å; N58-V61 HydrophobicContact CB-CB 3.96Å; N58-V61 HydrophobicContact CB-CG2 3.68Å; N58-V61 PolarHBondContact O-N 2.83Å; N58-V61 PolarHBondContact OD1-N 3.04Å; N58-A62 PolarHBondContact O-N 3.28Å
59P98.4Very high98.3Very high102 Ų10256 Ų5666%0.66233%0.33SS*.Hα-helixtrans-66.6-28.4-177.526.5-34.5000113.3G57 A62 A63G57-P59 WeakPolarHBondContact O-CD 3.41Å; P59-A62 PolarHBondContact O-N 3.4Å; P59-A63 VanDerWaalsContact O-CB 3.3Å; P59-A63 WeakPolarHBondContact O-CB 3.35Å; P59-A63 PolarHBondContact O-N 3.14Å
60M98.7Very high98.3Very high96 Ų9662.6 Ų62.647%0.47335%0.354SS..Hα-helixtrans-73-38176.5-63.4-65.4-66.600111.3F46 N58 A63 H64F46-M60 HydrophobicContact CB-CB 4.03Å; F46-M60 HydrophobicContact CD1-CB 4.19Å; F46-M60 HydrophobicContact CD1-CE 4.46Å; F46-M60 HydrophobicContact CD2-CB 3.79Å; F46-M60 HydrophobicContact CE1-CE 4.41Å; F46-M60 HydrophobicContact CE2-CB 4.25Å; F46-M60 WeakPolarHBondContact CE2-O 3.44Å; F46-M60 HydrophobicContact CG-CB 3.75Å; N58-M60 VanDerWaalsContact C-N 3.29Å; N58-M60 PolarHBondContact O-N 3.02Å; N58-M60 WeakPolarHBondContact OD1-CA 3.31Å; N58-M60 WeakPolarHBondContact OD1-CB 3.29Å; N58-M60 PolarHBondContact OD1-N 3.21Å; M60-A63 PolarHBondContact O-N 2.89Å; M60-H64 VanDerWaalsContact O-CB 3.31Å; M60-H64 WeakPolarHBondContact O-CB 3.39Å; M60-H64 PolarHBondContact O-N 3.08Å
61V98.8Very high98.3Very high0 Ų053.9 Ų53.90%033%0.325CS..Hα-helixtrans-61.7-47.5171.5175.80000109.7L29 S30 L33 F46 L49 I55 N58 A63 H64 G65L29-V61 HydrophobicContact CB-CG1 4.37Å; L29-V61 HydrophobicContact CD2-CG1 4.06Å; L29-V61 HydrophobicContact CG-CG1 4.05Å; S30-V61 WeakPolarHBondContact OG-CG1 3.45Å; L33-V61 HydrophobicContact CD1-CG1 4.03Å; L33-V61 HydrophobicContact CD1-CG2 3.81Å; F46-V61 HydrophobicContact CD2-CG2 3.92Å; L49-V61 HydrophobicContact CD2-CG2 3.64Å; I55-V61 HydrophobicContact CG2-CG1 4.47Å; N58-V61 HydrophobicContact CB-CB 3.96Å; N58-V61 HydrophobicContact CB-CG2 3.68Å; N58-V61 PolarHBondContact O-N 2.83Å; N58-V61 PolarHBondContact OD1-N 3.04Å; V61-A63 PolarHBondContact O-N 3.22Å; V61-H64 PolarHBondContact O-N 3.07Å; V61-G65 PolarHBondContact O-N 3.38Å
62A98.8Very high98.3Very high29 Ų2951 Ų5124%0.2431%0.309CS..Hα-helixtrans-60.1-48.5177.600000112P26 N58 P59 H64 G65 K66P26-A62 HydrophobicContact CB-CB 3.91Å; P26-A62 HydrophobicContact CG-CB 3.84Å; N58-A62 PolarHBondContact O-N 3.28Å; P59-A62 PolarHBondContact O-N 3.4Å; A62-H64 VanDerWaalsContact C-N 3.35Å; A62-H64 PolarHBondContact O-N 2.97Å; A62-G65 PolarHBondContact O-N 2.59Å; A62-K66 WeakPolarHBondContact O-CG 3.24Å; A62-K66 PolarHBondContact O-N 3.28Å
63A98.8Very high98.3Very high46 Ų4650.8 Ų50.838%0.3830%0.303SS..Hα-helixtrans-60-43.3177.900000112.3P59 M60 V61 K66 T67P59-A63 VanDerWaalsContact O-CB 3.3Å; P59-A63 WeakPolarHBondContact O-CB 3.35Å; P59-A63 PolarHBondContact O-N 3.14Å; M60-A63 PolarHBondContact O-N 2.89Å; V61-A63 PolarHBondContact O-N 3.22Å; A63-K66 WeakPolarHBondContact O-CB 3.36Å; A63-K66 PolarHBondContact O-N 3.33Å; A63-T67 PolarHBondContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 3.29Å
64H98.8Very high98.2Very high63 Ų6352.7 Ų52.729%0.29230%0.295SS..Hα-helixtrans-72.9-35.8-179.3-162.675.7000112.8L29 F43 F46 M60 V61 A62 K66 T67 V68L29-H64 HydrophobicContact CD2-CB 3.95Å; F43-H64 AromaticContact CE1-CD2 3.56Å; F43-H64 AromaticContact CE1-NE2 3.76Å; F46-H64 HydrophobicContact CE2-CB 3.56Å; F46-H64 HydrophobicContact CZ-CB 3.61Å; F46-H64 AromaticContact CZ-CG 3.72Å; M60-H64 VanDerWaalsContact O-CB 3.31Å; M60-H64 WeakPolarHBondContact O-CB 3.39Å; M60-H64 PolarHBondContact O-N 3.08Å; V61-H64 PolarHBondContact O-N 3.07Å; A62-H64 VanDerWaalsContact C-N 3.35Å; A62-H64 PolarHBondContact O-N 2.97Å; H64-K66 PolarHBondContact O-N 3.04Å; H64-T67 WeakPolarHBondContact O-CA 3.46Å; H64-T67 WeakPolarHBondContact O-CB 3.39Å; H64-T67 PolarHBondContact O-N 3.05Å; H64-V68 PolarHBondContact O-N 3.17Å
65G98.8Very high98.2Very high2 Ų251.7 Ų51.72%0.02129%0.286CS..Hα-helixtrans-56-39.5172.500000112G25 V61 A62 V68 L69G25-G65 WeakPolarHBondContact O-CA 3.41Å; V61-G65 PolarHBondContact O-N 3.38Å; A62-G65 PolarHBondContact O-N 2.59Å; G65-V68 PolarHBondContact O-N 3.02Å; G65-L69 PolarHBondContact O-N 3.33Å; G65-L69 VanDerWaalsContact O-N 3.1Å
66K98.6Very high98.1Very high55 Ų5552.5 Ų52.524%0.23929%0.291CS..Hα-helixtrans-65.1-41.5172.4-66.2-171.7-73.7-172.70113.1Y21 D22 P26 A62 A63 H64 V68 L69 R70Y21-K66 WeakPolarHBondContact O-CG 3.47Å; D22-K66 WeakPolarHBondContact OD1-CD 3.49Å; D22-K66 WeakPolarHBondContact OD1-CE 3.44Å; D22-K66 IonicContact OD1-NZ 3.12Å; D22-K66 PolarHBondContact OD1-NZ 3.12Å; P26-K66 HydrophobicContact CG-CG 4.33Å; A62-K66 WeakPolarHBondContact O-CG 3.24Å; A62-K66 PolarHBondContact O-N 3.28Å; A63-K66 WeakPolarHBondContact O-CB 3.36Å; A63-K66 PolarHBondContact O-N 3.33Å; H64-K66 PolarHBondContact O-N 3.04Å; K66-V68 VanDerWaalsContact C-N 3.33Å; K66-V68 PolarHBondContact O-N 2.9Å; K66-L69 PolarHBondContact O-N 3.21Å; K66-R70 WeakPolarHBondContact O-CB 3.37Å; K66-R70 WeakPolarHBondContact O-CG 3.41Å; K66-R70 PolarHBondContact O-N 3.1Å
67T98.4Very high98.1Very high85 Ų8554 Ų5452%0.52130%0.296SS..Hα-helixtrans-60.4-42.8175.7-62.20000111.7A63 H64 G71A63-T67 PolarHBondContact O-N 3.09Å; A63-T67 PolarHBondContact O-OG1 3.29Å; H64-T67 WeakPolarHBondContact O-CA 3.46Å; H64-T67 WeakPolarHBondContact O-CB 3.39Å; H64-T67 PolarHBondContact O-N 3.05Å; T67-G71 PolarHBondContact O-N 2.94Å
68V98.1Very high98Very high51 Ų5154.8 Ų54.831%0.30929%0.285SS..Hα-helixtrans-59.8-49.8175.4170.60000110.6H64 G65 K66 R70 G71 L72 L107H64-V68 PolarHBondContact O-N 3.17Å; G65-V68 PolarHBondContact O-N 3.02Å; K66-V68 VanDerWaalsContact C-N 3.33Å; K66-V68 PolarHBondContact O-N 2.9Å; V68-R70 PolarHBondContact O-N 3.08Å; V68-G71 WeakPolarHBondContact O-CA 3.48Å; V68-G71 PolarHBondContact O-N 3.39Å; V68-L72 PolarHBondContact O-N 3.37Å; V68-L107 HydrophobicContact CG1-CD2 4.02Å
69L97.3Very high97.9Very high3 Ų354.6 Ų54.62%0.01628%0.283CS..Hα-helixtrans-64.4-42.7-177.7-123169.1000112.3F16 M19 Y21 V24 G25 G65 K66 G71 L72F16-L69 HydrophobicContact CE1-CD2 3.94Å; M19-L69 HydrophobicContact SD-CD1 3.78Å; M19-L69 HydrophobicContact SD-CD2 3.41Å; M19-L69 WeakPolarHBondContact SD-CD2 3.35Å; M19-L69 HydrophobicContact SD-CG 4.22Å; Y21-L69 HydrophobicContact CD1-CB 3.79Å; Y21-L69 HydrophobicContact CD1-CD2 4.24Å; Y21-L69 HydrophobicContact CD1-CG 4.4Å; Y21-L69 HydrophobicContact CE1-CB 4.06Å; Y21-L69 HydrophobicContact CE1-CD2 3.92Å; V24-L69 HydrophobicContact CB-CD1 3.81Å; V24-L69 HydrophobicContact CG1-CD1 3.64Å; G25-L69 VanDerWaalsContact CA-CD1 3.42Å; G65-L69 PolarHBondContact O-N 3.33Å; G65-L69 VanDerWaalsContact O-N 3.1Å; K66-L69 PolarHBondContact O-N 3.21Å; L69-G71 PolarHBondContact O-N 2.77Å; L69-L72 HydrophobicContact CD2-CD1 4.31Å; L69-L72 WeakPolarHBondContact O-CA 3.41Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.29Å; L69-L72 PolarHBondContact O-N 3.04Å
70R97.1Very high97.8Very high155 Ų15553.8 Ų53.859%0.58527%0.274SS*.Hα-helixtrans-61.6-29.5171.1-71.9176.4179.4172-0.5112.8Y21 K66 V68 L72 D73Y21-R70 HydrophobicContact CD1-CG 4.02Å; Y21-R70 HydrophobicContact CE1-CG 4.2Å; K66-R70 WeakPolarHBondContact O-CB 3.37Å; K66-R70 WeakPolarHBondContact O-CG 3.41Å; K66-R70 PolarHBondContact O-N 3.1Å; V68-R70 PolarHBondContact O-N 3.08Å; R70-L72 PolarHBondContact O-N 2.85Å; R70-D73 WeakPolarHBondContact O-CB 3.41Å; R70-D73 PolarHBondContact O-N 3.08Å
71G97.5Very high97.7Very high19 Ų1953.5 Ų53.520%0.19627%0.274CS..Hα-helixtrans-58-36.2170.700000112.3T67 V68 L69 R74 Y86T67-G71 PolarHBondContact O-N 2.94Å; V68-G71 WeakPolarHBondContact O-CA 3.48Å; V68-G71 PolarHBondContact O-N 3.39Å; L69-G71 PolarHBondContact O-N 2.77Å; G71-R74 WeakPolarHBondContact O-CB 3.37Å; G71-R74 PolarHBondContact O-N 2.9Å; G71-Y86 WeakPolarHBondContact O-CE1 3.4Å; G71-Y86 PolarHBondContact O-OH 3.27Å
72L98.3Very high97.7Very high14 Ų1453.7 Ų53.77%0.07328%0.275CS..Hα-helixtrans-70.1-26.6178.7-60.5178.7000113.4F16 V68 L69 R70 R74 A75 V76 Y86 L111 L135 V138F16-L72 HydrophobicContact CE1-CB 3.58Å; F16-L72 HydrophobicContact CE1-CD1 4.31Å; F16-L72 HydrophobicContact CZ-CB 3.8Å; F16-L72 HydrophobicContact CZ-CD1 4.09Å; V68-L72 PolarHBondContact O-N 3.37Å; L69-L72 HydrophobicContact CD2-CD1 4.31Å; L69-L72 WeakPolarHBondContact O-CA 3.41Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.29Å; L69-L72 PolarHBondContact O-N 3.04Å; R70-L72 PolarHBondContact O-N 2.85Å; L72-R74 PolarHBondContact O-N 3.37Å; L72-R74 VanDerWaalsContact O-N 3.13Å; L72-A75 WeakPolarHBondContact O-CA 3.43Å; L72-A75 WeakPolarHBondContact O-CB 3.37Å; L72-A75 PolarHBondContact O-N 3.28Å; L72-V76 PolarHBondContact O-N 3.17Å; L72-Y86 VanDerWaalsContact CA-OH 3.27Å; L72-Y86 WeakPolarHBondContact CA-OH 3.16Å; L72-L111 HydrophobicContact CD1-CD2 3.44Å; L72-L111 VanDerWaalsContact CD1-CD2 3.44Å; L72-L135 HydrophobicContact CD1-CD2 4.24Å; L72-V138 HydrophobicContact CD2-CG1 3.78Å; L72-V138 HydrophobicContact CD2-CG2 4.24Å
73D97.6Very high97.5Very high40 Ų4058.2 Ų58.221%0.21429%0.289CS..Hα-helixtrans-56.6-32.9175.9-60.2-15.5000112.1Y21 R70 A75 V76 K77Y21-D73 PolarHBondContact OH-OD1 3.06Å; R70-D73 WeakPolarHBondContact O-CB 3.41Å; R70-D73 PolarHBondContact O-N 3.08Å; D73-A75 VanDerWaalsContact C-N 3.33Å; D73-A75 PolarHBondContact O-N 2.93Å; D73-V76 PolarHBondContact O-N 2.93Å; D73-K77 WeakPolarHBondContact O-CB 3.21Å; D73-K77 VanDerWaalsContact O-CG 3.3Å; D73-K77 WeakPolarHBondContact O-CG 3.39Å; D73-K77 PolarHBondContact O-N 2.66Å
74R96.9Very high97.4Very high110 Ų11058.8 Ų58.842%0.41529%0.294SS..Hα-helixtrans-62.8-41176-63.1174.660.8175.51.1111.2G71 L72 N78 T85 Y86G71-R74 WeakPolarHBondContact O-CB 3.37Å; G71-R74 PolarHBondContact O-N 2.9Å; L72-R74 PolarHBondContact O-N 3.37Å; L72-R74 VanDerWaalsContact O-N 3.13Å; R74-N78 WeakPolarHBondContact O-CB 3.33Å; R74-N78 PolarHBondContact O-N 3.13Å; R74-N78 VanDerWaalsContact O-N 3.17Å; R74-N78 PolarHBondContact O-ND2 2.89Å; R74-T85 HydrophobicContact CB-CG2 3.7Å; R74-T85 PolarHBondContact NH2-O 3.13Å; R74-Y86 HydrophobicContact CB-CE1 4.19Å
75A97.3Very high97.4Very high0 Ų056.8 Ų56.80%029%0.286CS..Hα-helixtrans-72.3-38177.100000112.1L72 D73 K77 N78 M79 I82 Y86 F134 V138L72-A75 WeakPolarHBondContact O-CA 3.43Å; L72-A75 WeakPolarHBondContact O-CB 3.37Å; L72-A75 PolarHBondContact O-N 3.28Å; D73-A75 VanDerWaalsContact C-N 3.33Å; D73-A75 PolarHBondContact O-N 2.93Å; A75-K77 VanDerWaalsContact C-N 3.3Å; A75-K77 PolarHBondContact O-N 2.87Å; A75-N78 CarbonylContact O-C 3.26Å; A75-N78 VanDerWaalsContact O-C 3.26Å; A75-N78 PolarHBondContact O-N 3.03Å; A75-M79 WeakPolarHBondContact O-CA 3.48Å; A75-M79 WeakPolarHBondContact O-CG 3.24Å; A75-M79 PolarHBondContact O-N 3.09Å; A75-I82 HydrophobicContact CB-CD1 4.03Å; A75-I82 HydrophobicContact CB-CG1 3.94Å; A75-I82 HydrophobicContact CB-CG2 3.97Å; A75-Y86 HydrophobicContact CB-CE2 3.71Å; A75-Y86 VanDerWaalsContact CB-OH 3.24Å; A75-Y86 WeakPolarHBondContact CB-OH 3.44Å; A75-F134 HydrophobicContact CB-CE2 3.71Å; A75-F134 HydrophobicContact CB-CZ 3.65Å; A75-V138 HydrophobicContact CB-CG2 3.94Å
76V97.8Very high97.3Very high19 Ų1956.8 Ų56.812%0.11529%0.285CS..Hα-helixtrans-61.2-40.1175.1178.50000111.2I12 Q13 F16 L72 D73 N78 M79 F134I12-V76 HydrophobicContact CG2-CG1 4.37Å; I12-V76 HydrophobicContact CG2-CG2 4.01Å; Q13-V76 HydrophobicContact CG-CG1 4.17Å; F16-V76 HydrophobicContact CB-CG2 4.39Å; F16-V76 HydrophobicContact CD1-CG2 3.81Å; F16-V76 HydrophobicContact CD2-CG2 3.57Å; F16-V76 HydrophobicContact CE1-CG2 3.93Å; F16-V76 HydrophobicContact CE2-CG2 3.65Å; F16-V76 HydrophobicContact CG-CG2 3.65Å; F16-V76 HydrophobicContact CZ-CG2 3.85Å; L72-V76 PolarHBondContact O-N 3.17Å; D73-V76 PolarHBondContact O-N 2.93Å; V76-N78 VanDerWaalsContact C-N 3.33Å; V76-M79 WeakPolarHBondContact O-CG 3.27Å; V76-F134 HydrophobicContact CG2-CE1 4.4Å; V76-F134 HydrophobicContact CG2-CE2 4.02Å; V76-F134 HydrophobicContact CG2-CZ 3.64Å
77K97.2Very high97.3Very high168 Ų16855.7 Ų55.773%0.7329%0.287SS*.Hα-helixtrans-73.7-22.1177.2-69172.1-173.7176.70113.7D73 A75D73-K77 WeakPolarHBondContact O-CB 3.21Å; D73-K77 VanDerWaalsContact O-CG 3.3Å; D73-K77 WeakPolarHBondContact O-CG 3.39Å; D73-K77 PolarHBondContact O-N 2.66Å; A75-K77 VanDerWaalsContact C-N 3.3Å; A75-K77 PolarHBondContact O-N 2.87Å
78N96.8Very high97.3Very high79 Ų7959 Ų5942%0.42230%0.296SS..THydrogen-bonded Turntrans-130.146.3-173.4-58.4-78.5000111.7R74 A75 V76 D80 D81 I82 T85R74-N78 WeakPolarHBondContact O-CB 3.33Å; R74-N78 PolarHBondContact O-N 3.13Å; R74-N78 VanDerWaalsContact O-N 3.17Å; R74-N78 PolarHBondContact O-ND2 2.89Å; A75-N78 CarbonylContact O-C 3.26Å; A75-N78 VanDerWaalsContact O-C 3.26Å; A75-N78 PolarHBondContact O-N 3.03Å; V76-N78 VanDerWaalsContact C-N 3.33Å; N78-D80 PolarHBondContact O-N 3.23Å; N78-D80 VanDerWaalsContact O-N 3.09Å; N78-D81 CarbonylContact O-C 3.33Å; N78-D81 PolarHBondContact O-N 3.04Å; N78-I82 WeakPolarHBondContact O-CG1 3.48Å; N78-I82 PolarHBondContact O-N 3.35Å; N78-I82 VanDerWaalsContact O-N 3.12Å; N78-T85 WeakPolarHBondContact CB-OG1 3.49Å
79M96.9Very high97.2Very high10 Ų1058.8 Ų58.85%0.04929%0.293CS..G310 helixtrans-57.4-29.7-172.4-73.8179.262.600114W4 R9 I12 A75 V76 D81W4-M79 HydrophobicContact CB-CE 4.23Å; W4-M79 HydrophobicContact CD2-CE 3.34Å; W4-M79 HydrophobicContact CE3-CE 3.43Å; W4-M79 VanDerWaalsContact CE3-CE 3.43Å; W4-M79 HydrophobicContact CG-CE 3.71Å; W4-M79 HydrophobicContact CH2-CE 4.41Å; W4-M79 HydrophobicContact CZ2-CE 4.29Å; W4-M79 HydrophobicContact CZ3-CE 3.98Å; W4-M79 PolarHBondContact NE1-O 3.41Å; R9-M79 HydrophobicContact CB-SD 4.44Å; R9-M79 HydrophobicContact CG-CE 3.94Å; R9-M79 HydrophobicContact CG-SD 4.14Å; I12-M79 HydrophobicContact CD1-CE 3.4Å; I12-M79 HydrophobicContact CD1-SD 4.33Å; I12-M79 HydrophobicContact CG2-SD 4.43Å; A75-M79 WeakPolarHBondContact O-CA 3.48Å; A75-M79 WeakPolarHBondContact O-CG 3.24Å; A75-M79 PolarHBondContact O-N 3.09Å; V76-M79 WeakPolarHBondContact O-CG 3.27Å; M79-D81 VanDerWaalsContact C-N 3.33Å
80D96.6Very high97.3Very high86 Ų8658.6 Ų58.646%0.4629%0.292SS..G310 helixtrans-79.3-15.5179.2-63.2-58.4000113.6R9 N78R9-D80 IonicContact CZ-OD1 3.66Å; R9-D80 IonicContact CZ-OD2 2.69Å; R9-D80 IonicContact NH1-OD1 2.77Å; R9-D80 IonicContact NH1-OD2 2.69Å; R9-D80 PolarHBondContact NH1-OD2 3.39Å; R9-D80 VanDerWaalsContact NH2-CG 3.31Å; R9-D80 IonicContact NH2-OD1 3.23Å; R9-D80 PolarHBondContact NH2-OD1 3.47Å; R9-D80 IonicContact NH2-OD2 3.77Å; R9-D80 PolarHBondContact NH2-OD2 3.29Å; R9-D80 VanDerWaalsContact NH2-OD2 3.12Å; N78-D80 PolarHBondContact O-N 3.23Å; N78-D80 VanDerWaalsContact O-N 3.09Å
81D96.2Very high97.4Very high90 Ų9053.7 Ų53.748%0.48128%0.279SS..G310 helixtrans-13940.9-177.1-16217.8000113.3N78 M79 K83 A84 T85N78-D81 CarbonylContact O-C 3.33Å; N78-D81 PolarHBondContact O-N 3.04Å; M79-D81 VanDerWaalsContact C-N 3.33Å; D81-K83 PolarHBondContact O-N 2.93Å; D81-A84 VanDerWaalsContact CG-CB 3.5Å; D81-A84 PolarHBondContact O-N 3.44Å; D81-A84 WeakPolarHBondContact OD1-CB 3.3Å; D81-A84 PolarHBondContact OD1-N 2.63Å; D81-A84 VanDerWaalsContact OD2-CB 3.26Å; D81-A84 WeakPolarHBondContact OD2-CB 3.3Å; D81-T85 WeakPolarHBondContact O-CB 3.47Å; D81-T85 PolarHBondContact O-N 3.19Å; D81-T85 PolarHBondContact O-OG1 3.43Å
82I97.6Very high97.4Very high3 Ų355.8 Ų55.82%0.01529%0.286CS..Hα-helixtrans-57-34.9176.5-60.6177.3000110.8W4 A75 N78 T85 Y86 F134 V137 V138W4-I82 HydrophobicContact CZ2-CD1 4.22Å; A75-I82 HydrophobicContact CB-CD1 4.03Å; A75-I82 HydrophobicContact CB-CG1 3.94Å; A75-I82 HydrophobicContact CB-CG2 3.97Å; N78-I82 WeakPolarHBondContact O-CG1 3.48Å; N78-I82 PolarHBondContact O-N 3.35Å; N78-I82 VanDerWaalsContact O-N 3.12Å; I82-T85 WeakPolarHBondContact O-CB 3.49Å; I82-T85 PolarHBondContact O-N 3.18Å; I82-Y86 HydrophobicContact CG2-CD2 3.64Å; I82-Y86 HydrophobicContact CG2-CE2 3.76Å; I82-Y86 PolarHBondContact O-N 2.88Å; I82-F134 HydrophobicContact CD1-CD2 4.28Å; I82-F134 HydrophobicContact CD1-CE2 4.14Å; I82-V137 HydrophobicContact CB-CG1 4.05Å; I82-V137 HydrophobicContact CD1-CB 4.24Å; I82-V137 HydrophobicContact CD1-CG1 3.79Å; I82-V137 HydrophobicContact CG1-CG1 4.4Å; I82-V137 HydrophobicContact CG2-CG1 4.3Å; I82-V138 HydrophobicContact CG2-CG2 4.21Å
83K95.8Very high97.4Very high125 Ų12557 Ų5754%0.54329%0.291SS..Hα-helixtrans-59.5-53.7179.6-179.6-172.1166-1650111.9D81 T85 A87 S141D81-K83 PolarHBondContact O-N 2.93Å; K83-T85 VanDerWaalsContact C-N 3.32Å; K83-A87 PolarHBondContact O-N 3.5Å; K83-S141 WeakPolarHBondContact CA-OG 3.35Å
84A96.6Very high97.4Very high57 Ų5756 Ų5647%0.47129%0.287SS..Hα-helixtrans-68.2-38.5178.300000110.8D81 Y86 A87D81-A84 VanDerWaalsContact CG-CB 3.5Å; D81-A84 PolarHBondContact O-N 3.44Å; D81-A84 WeakPolarHBondContact OD1-CB 3.3Å; D81-A84 PolarHBondContact OD1-N 2.63Å; D81-A84 VanDerWaalsContact OD2-CB 3.26Å; D81-A84 WeakPolarHBondContact OD2-CB 3.3Å; A84-Y86 PolarHBondContact O-N 3.43Å; A84-Y86 VanDerWaalsContact O-N 3.14Å; A84-A87 WeakPolarHBondContact O-CB 3.41Å; A84-A87 PolarHBondContact O-N 2.92Å; A84-A87 VanDerWaalsContact O-N 3.15Å
85T97.5Very high97.4Very high21 Ų2156.3 Ų56.313%0.12929%0.293CS..Hα-helixtrans-53.9-35.7178.6-61.20000112.9R74 N78 D81 I82 K83R74-T85 HydrophobicContact CB-CG2 3.7Å; R74-T85 PolarHBondContact NH2-O 3.13Å; N78-T85 WeakPolarHBondContact CB-OG1 3.49Å; D81-T85 WeakPolarHBondContact O-CB 3.47Å; D81-T85 PolarHBondContact O-N 3.19Å; D81-T85 PolarHBondContact O-OG1 3.43Å; I82-T85 WeakPolarHBondContact O-CB 3.49Å; I82-T85 PolarHBondContact O-N 3.18Å; K83-T85 VanDerWaalsContact C-N 3.32Å
86Y98.1Very high97.4Very high2 Ų264.1 Ų64.11%0.00833%0.327CS..THydrogen-bonded Turntrans-105.410.9-178.8-69-33.3000115.8G71 L72 R74 A75 I82 A84 E88 L89 S90 V138 L142G71-Y86 WeakPolarHBondContact O-CE1 3.4Å; G71-Y86 PolarHBondContact O-OH 3.27Å; L72-Y86 VanDerWaalsContact CA-OH 3.27Å; L72-Y86 WeakPolarHBondContact CA-OH 3.16Å; R74-Y86 HydrophobicContact CB-CE1 4.19Å; A75-Y86 HydrophobicContact CB-CE2 3.71Å; A75-Y86 VanDerWaalsContact CB-OH 3.24Å; A75-Y86 WeakPolarHBondContact CB-OH 3.44Å; I82-Y86 HydrophobicContact CG2-CD2 3.64Å; I82-Y86 HydrophobicContact CG2-CE2 3.76Å; I82-Y86 PolarHBondContact O-N 2.88Å; A84-Y86 PolarHBondContact O-N 3.43Å; A84-Y86 VanDerWaalsContact O-N 3.14Å; Y86-E88 PolarHBondContact O-N 3Å; Y86-L89 HydrophobicContact CD1-CB 4.38Å; Y86-L89 HydrophobicContact CD1-CD2 3.95Å; Y86-L89 HydrophobicContact CE1-CD2 4.17Å; Y86-L89 PolarHBondContact O-N 3.42Å; Y86-L89 VanDerWaalsContact O-N 3.16Å; Y86-S90 WeakPolarHBondContact O-CB 3.26Å; Y86-S90 PolarHBondContact O-N 3.24Å; Y86-V138 HydrophobicContact CD2-CG1 4.24Å; Y86-V138 HydrophobicContact CE2-CB 4.22Å; Y86-V138 HydrophobicContact CE2-CG1 3.66Å; Y86-V138 HydrophobicContact CE2-CG2 3.97Å; Y86-L142 HydrophobicContact CD2-CG 4.46Å; Y86-L142 HydrophobicContact CG-CD2 4.4Å
87A97.8Very high97.4Very high33 Ų3367.1 Ų67.127%0.27334%0.342SS..Hα-helixtrans-55.1-51.8179.600000112.4K83 A84 L89 S90 V91K83-A87 PolarHBondContact O-N 3.5Å; A84-A87 WeakPolarHBondContact O-CB 3.41Å; A84-A87 PolarHBondContact O-N 2.92Å; A84-A87 VanDerWaalsContact O-N 3.15Å; A87-L89 VanDerWaalsContact C-N 3.32Å; A87-L89 PolarHBondContact O-N 3.04Å; A87-S90 WeakPolarHBondContact O-CB 3.5Å; A87-S90 PolarHBondContact O-N 2.91Å; A87-V91 WeakPolarHBondContact O-CG2 3.42Å; A87-V91 PolarHBondContact O-N 3.32Å; A87-V91 VanDerWaalsContact O-N 3.09Å
88E97.8Very high97.4Very high154 Ų15468.5 Ų68.572%0.7234%0.343SS*.Hα-helixtrans-64.7-35.9178.3-64.7179.5168.900112.9Y86 S90 V91 L92Y86-E88 PolarHBondContact O-N 3Å; E88-S90 VanDerWaalsContact C-N 3.33Å; E88-V91 PolarHBondContact O-N 2.92Å; E88-L92 WeakPolarHBondContact O-CB 3.38Å; E88-L92 PolarHBondContact O-N 2.99Å
89L97.8Very high97.4Very high46 Ų4665.5 Ų65.524%0.24133%0.327CS..Hα-helixtrans-70.4-34.8179.5-165.859.2000111.2Y86 A87 L92 H93 L142Y86-L89 HydrophobicContact CD1-CB 4.38Å; Y86-L89 HydrophobicContact CD1-CD2 3.95Å; Y86-L89 HydrophobicContact CE1-CD2 4.17Å; Y86-L89 PolarHBondContact O-N 3.42Å; Y86-L89 VanDerWaalsContact O-N 3.16Å; A87-L89 VanDerWaalsContact C-N 3.32Å; A87-L89 PolarHBondContact O-N 3.04Å; L89-L92 HydrophobicContact CD1-CD2 3.98Å; L89-L92 PolarHBondContact O-N 3.39Å; L89-H93 PolarHBondContact O-N 3.5Å; L89-H93 PolarHBondContact O-ND1 2.7Å; L89-L142 HydrophobicContact CB-CD2 4.1Å; L89-L142 HydrophobicContact CD2-CD2 3.8Å; L89-L142 HydrophobicContact CG-CD2 3.78Å
90S98.3Very high97.5Very high0 Ų068.3 Ų68.30%034%0.342CS..Hα-helixtrans-63.2-47.2172.3-175.30000111.2Y86 A87 E88 L92 H93 S94 L142 R144 Q145Y86-S90 WeakPolarHBondContact O-CB 3.26Å; Y86-S90 PolarHBondContact O-N 3.24Å; A87-S90 WeakPolarHBondContact O-CB 3.5Å; A87-S90 PolarHBondContact O-N 2.91Å; E88-S90 VanDerWaalsContact C-N 3.33Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 3.39Å; S90-H93 PolarHBondContact O-N 3.43Å; S90-S94 VanDerWaalsContact O-CB 3.26Å; S90-S94 WeakPolarHBondContact O-CB 3.46Å; S90-S94 PolarHBondContact O-N 3.17Å; S90-L142 WeakPolarHBondContact CA-O 3.46Å; S90-L142 WeakPolarHBondContact CB-O 3.36Å; S90-L142 PolarHBondContact OG-O 2.88Å; S90-R144 PolarHBondContact OG-N 3.23Å; S90-Q145 VanDerWaalsContact OG-CB 3.28Å; S90-Q145 WeakPolarHBondContact OG-CB 3.46Å; S90-Q145 WeakPolarHBondContact OG-CG 3.39Å; S90-Q145 PolarHBondContact OG-N 3.47Å
91V98.3Very high97.5Very high51 Ų5166.5 Ų66.531%0.30934%0.336SS..Hα-helixtrans-57.6-46.6173.9174.30000110.9A87 E88 H93 S94 E95 Q145A87-V91 WeakPolarHBondContact O-CG2 3.42Å; A87-V91 PolarHBondContact O-N 3.32Å; A87-V91 VanDerWaalsContact O-N 3.09Å; E88-V91 PolarHBondContact O-N 2.92Å; V91-H93 PolarHBondContact O-N 3.05Å; V91-S94 PolarHBondContact O-N 2.82Å; V91-E95 HydrophobicContact CG1-CG 4.18Å; V91-E95 WeakPolarHBondContact O-CB 3.4Å; V91-E95 PolarHBondContact O-N 3.43Å; V91-Q145 HydrophobicContact CG2-CB 3.91Å; V91-Q145 HydrophobicContact CG2-CG 3.89Å
92L98.1Very high97.6Very high64 Ų6468 Ų6834%0.33534%0.343SS..Iπ-helixtrans-56.5-49.6178.4177.568.4000111.7E88 L89 S90 K96 L97E88-L92 WeakPolarHBondContact O-CB 3.38Å; E88-L92 PolarHBondContact O-N 2.99Å; L89-L92 HydrophobicContact CD1-CD2 3.98Å; L89-L92 PolarHBondContact O-N 3.39Å; S90-L92 VanDerWaalsContact C-N 3.34Å; S90-L92 PolarHBondContact O-N 3.39Å; L92-K96 HydrophobicContact CD1-CB 4.06Å; L92-K96 HydrophobicContact CD1-CD 3.66Å; L92-K96 HydrophobicContact CD1-CG 4.38Å; L92-K96 WeakPolarHBondContact O-CB 3.49Å; L92-K96 PolarHBondContact O-N 2.78Å; L92-L97 HydrophobicContact CD1-CG 4.47Å; L92-L97 HydrophobicContact CD2-CD1 4.46Å; L92-L97 HydrophobicContact CG-CD1 4.12Å; L92-L97 HydrophobicContact CG-CG 4.26Å; L92-L97 WeakPolarHBondContact O-CG 3.29Å; L92-L97 PolarHBondContact O-N 3.09Å
93H98.3Very high97.6Very high40 Ų4068.5 Ų68.519%0.18535%0.346CS..Iπ-helixtrans-70-34.2-177.6-73.980.6000112.8L89 S90 V91 R98 V99 F104 Y146L89-H93 PolarHBondContact O-N 3.5Å; L89-H93 PolarHBondContact O-ND1 2.7Å; S90-H93 PolarHBondContact O-N 3.43Å; V91-H93 PolarHBondContact O-N 3.05Å; H93-R98 PolarHBondContact O-N 2.84Å; H93-V99 HydrophobicContact CB-CB 4.47Å; H93-V99 PolarHBondContact O-N 3.28Å; H93-F104 HydrophobicContact CB-CE1 4.13Å; H93-F104 HydrophobicContact CB-CZ 3.67Å; H93-F104 AromaticContact CD2-CE1 3.73Å; H93-F104 AromaticContact CG-CE1 3.96Å; H93-Y146 WeakPolarHBondContact CB-OH 3.3Å; H93-Y146 PolarHBondContact O-OH 3.47Å
94S98Very high97.8Very high18 Ų1863.4 Ų63.413%0.12632%0.324CS..Iπ-helixtrans-72.9-65.5177.31790000111.8S90 V91 R98 Q145S90-S94 VanDerWaalsContact O-CB 3.26Å; S90-S94 WeakPolarHBondContact O-CB 3.46Å; S90-S94 PolarHBondContact O-N 3.17Å; V91-S94 PolarHBondContact O-N 2.82Å; S94-R98 VanDerWaalsContact O-CA 3.3Å; S94-R98 WeakPolarHBondContact O-CA 3.18Å; S94-R98 PolarHBondContact O-N 3.4Å; S94-Q145 WeakPolarHBondContact CB-O 3.33Å; S94-Q145 PolarHBondContact OG-O 2.69Å
95E97.3Very high97.9Very high117 Ų11768.5 Ų68.555%0.54733%0.331SS..Iπ-helixtrans-82.4-38.1-164.8-61.5-177.6-173.300113V91V91-E95 HydrophobicContact CG1-CG 4.18Å; V91-E95 WeakPolarHBondContact O-CB 3.4Å; V91-E95 PolarHBondContact O-N 3.43Å
96K96.8Very high97.9Very high163 Ų16369 Ų6971%0.70933%0.333SS*.Iπ-helixtrans-95-50.4-174.1-169.1178.6-176177.10112.3L92L92-K96 HydrophobicContact CD1-CB 4.06Å; L92-K96 HydrophobicContact CD1-CD 3.66Å; L92-K96 HydrophobicContact CD1-CG 4.38Å; L92-K96 WeakPolarHBondContact O-CB 3.49Å; L92-K96 PolarHBondContact O-N 2.78Å
97L97.1Very high98Very high82 Ų8270.9 Ų70.943%0.42934%0.343SS..THydrogen-bonded Turntrans-86.3-20.2-176.4-54.3-179.6000112.6L92 V99L92-L97 HydrophobicContact CD1-CG 4.47Å; L92-L97 HydrophobicContact CD2-CD1 4.46Å; L92-L97 HydrophobicContact CG-CD1 4.12Å; L92-L97 HydrophobicContact CG-CG 4.26Å; L92-L97 WeakPolarHBondContact O-CG 3.29Å; L92-L97 PolarHBondContact O-N 3.09Å; L97-V99 HydrophobicContact CB-CG2 3.85Å; L97-V99 PolarHBondContact O-N 2.84Å
98R97.1Very high98Very high197 Ų19769.9 Ų69.974%0.74334%0.335SS*.  trans52.240.6-179.8-56.7-179.5179.9-175.7-2.9112.2Y42 H93 S94 D100Y42-R98 WeakPolarHBondContact CE1-O 3.48Å; Y42-R98 PolarHBondContact OH-O 2.94Å; H93-R98 PolarHBondContact O-N 2.84Å; S94-R98 VanDerWaalsContact O-CA 3.3Å; S94-R98 WeakPolarHBondContact O-CA 3.18Å; S94-R98 PolarHBondContact O-N 3.4Å; R98-D100 PolarHBondContact O-N 3.39Å
99V98.3Very high98.1Very high17 Ų1764.8 Ų64.810%0.10331%0.313CS..  trans-74123.7176.4175.10000108.2Y42 H93 L97 N103 F104 Y146Y42-V99 HydrophobicContact CD1-CG2 3.84Å; Y42-V99 HydrophobicContact CD2-CG2 4.44Å; Y42-V99 HydrophobicContact CE1-CB 4.29Å; Y42-V99 HydrophobicContact CE1-CG2 3.95Å; Y42-V99 HydrophobicContact CE2-CG1 4.27Å; Y42-V99 HydrophobicContact CG-CG2 4.1Å; Y42-V99 WeakPolarHBondContact OH-CA 3.22Å; H93-V99 HydrophobicContact CB-CB 4.47Å; H93-V99 PolarHBondContact O-N 3.28Å; L97-V99 HydrophobicContact CB-CG2 3.85Å; L97-V99 PolarHBondContact O-N 2.84Å; V99-N103 HydrophobicContact CG1-CB 4.26Å; V99-F104 HydrophobicContact CG1-CE1 4.42Å; V99-Y146 WeakPolarHBondContact O-CE1 3.32Å; V99-Y146 VanDerWaalsContact O-CZ 3.27Å; V99-Y146 PolarHBondContact O-OH 3.41Å
100D98Very high98.1Very high68 Ų6862.7 Ų62.736%0.36430%0.302SS..  trans-62.7127.4174.6178.3-40.2000108.8Y42 R98 D102 N103Y42-D100 PolarHBondContact OH-N 3.16Å; R98-D100 PolarHBondContact O-N 3.39Å; D100-D102 PolarHBondContact O-N 2.9Å; D100-D102 VanDerWaalsContact O-N 3.14Å; D100-D102 WeakPolarHBondContact OD1-CB 3.24Å; D100-D102 PolarHBondContact OD1-N 3.14Å; D100-N103 WeakPolarHBondContact CB-ND2 3.5Å; D100-N103 WeakPolarHBondContact O-CB 3.27Å; D100-N103 PolarHBondContact O-N 2.69Å; D100-N103 PolarHBondContact O-ND2 3.15Å
101P97.1Very high98.1Very high49 Ų4963.2 Ų63.232%0.31830%0.304SS..THydrogen-bonded Turntrans-62.6-21.6-170.325.9-34.2000113.6N103 F104 Y146P101-N103 PolarHBondContact O-N 3.02Å; P101-F104 HydrophobicContact CB-CD2 4.16Å; P101-F104 HydrophobicContact CB-CE2 4.13Å; P101-F104 WeakPolarHBondContact O-CD2 3.41Å; P101-F104 PolarHBondContact O-N 2.94Å; P101-Y146 HydrophobicContact CB-CD1 3.92Å; P101-Y146 HydrophobicContact CB-CD2 4.45Å; P101-Y146 HydrophobicContact CB-CE1 3.92Å; P101-Y146 HydrophobicContact CB-CE2 4.44Å; P101-Y146 HydrophobicContact CB-CG 4.18Å; P101-Y146 HydrophobicContact CG-CD1 3.78Å; P101-Y146 HydrophobicContact CG-CE1 4.04Å; P101-Y146 HydrophobicContact CG-CG 4.32Å
102D97.8Very high98.2Very high120 Ų12061.3 Ų61.364%0.64229%0.293SS*.Hα-helixtrans-62.7-26.7176-74.9-16.4000111.9D100 F104 R105D100-D102 PolarHBondContact O-N 2.9Å; D100-D102 VanDerWaalsContact O-N 3.14Å; D100-D102 WeakPolarHBondContact OD1-CB 3.24Å; D100-D102 PolarHBondContact OD1-N 3.14Å; D102-F104 PolarHBondContact O-N 3.23Å; D102-R105 PolarHBondContact O-N 2.77Å
103N98.6Very high98.2Very high15 Ų1562.1 Ų62.18%0.0830%0.297CS..Hα-helixtrans-68.9-20.3179.7-62.3-61.4000113.6W38 T39 V99 D100 P101 R105 L106 L107W38-N103 PolarHBondContact NE1-OD1 3.45Å; T39-N103 HydrophobicContact CG2-CB 4.49Å; V99-N103 HydrophobicContact CG1-CB 4.26Å; D100-N103 WeakPolarHBondContact CB-ND2 3.5Å; D100-N103 WeakPolarHBondContact O-CB 3.27Å; D100-N103 PolarHBondContact O-N 2.69Å; D100-N103 PolarHBondContact O-ND2 3.15Å; P101-N103 PolarHBondContact O-N 3.02Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.32Å; N103-L106 PolarHBondContact O-N 3.39Å; N103-L107 PolarHBondContact O-N 3.33Å; N103-L107 VanDerWaalsContact O-N 3.13Å
104F98.6Very high98.2Very high17 Ų1760.6 Ų60.68%0.07529%0.29CS..Hα-helixtrans-63.1-40.3175.1-63.3-50.9000111.4H93 V99 P101 D102 L107 A108 V139 L142 Y146H93-F104 HydrophobicContact CB-CE1 4.13Å; H93-F104 HydrophobicContact CB-CZ 3.67Å; H93-F104 AromaticContact CD2-CE1 3.73Å; H93-F104 AromaticContact CG-CE1 3.96Å; V99-F104 HydrophobicContact CG1-CE1 4.42Å; P101-F104 HydrophobicContact CB-CD2 4.16Å; P101-F104 HydrophobicContact CB-CE2 4.13Å; P101-F104 WeakPolarHBondContact O-CD2 3.41Å; P101-F104 PolarHBondContact O-N 2.94Å; D102-F104 PolarHBondContact O-N 3.23Å; F104-L107 PolarHBondContact O-N 3.07Å; F104-A108 WeakPolarHBondContact O-CB 3.4Å; F104-A108 PolarHBondContact O-N 3.43Å; F104-V139 HydrophobicContact CB-CB 4.41Å; F104-V139 HydrophobicContact CB-CG1 3.96Å; F104-V139 HydrophobicContact CB-CG2 4.1Å; F104-L142 HydrophobicContact CD1-CB 4.23Å; F104-L142 HydrophobicContact CD1-CD1 3.96Å; F104-L142 HydrophobicContact CD2-CB 4.01Å; F104-L142 HydrophobicContact CE1-CB 4.13Å; F104-L142 HydrophobicContact CE1-CD1 4.18Å; F104-L142 HydrophobicContact CE2-CB 3.91Å; F104-L142 HydrophobicContact CG-CB 4.17Å; F104-L142 HydrophobicContact CG-CD1 4.42Å; F104-L142 HydrophobicContact CZ-CB 3.95Å; F104-Y146 AromaticContact CE2-CE2 3.58Å; F104-Y146 HydrophobicContact CE2-CE2 3.58Å; F104-Y146 AromaticContact CE2-CZ 3.67Å; F104-Y146 WeakPolarHBondContact CE2-OH 3.38Å; F104-Y146 AromaticContact CZ-CE2 3.93Å; F104-Y146 HydrophobicContact CZ-CE2 3.93Å; F104-Y146 AromaticContact CZ-CZ 3.88Å; F104-Y146 WeakPolarHBondContact CZ-OH 3.43Å
105R98.6Very high98.3Very high165 Ų16560 Ų6062%0.62329%0.285SS*.Hα-helixtrans-65.2-41.9176.5-175.3-178.4174.3106.85.1111.1D102 N103 L107 A108 D109D102-R105 PolarHBondContact O-N 2.77Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.32Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 3.38Å; R105-A108 WeakPolarHBondContact O-CB 3.31Å; R105-A108 PolarHBondContact O-N 2.87Å; R105-D109 IonicContact NE-OD2 3.35Å; R105-D109 PolarHBondContact O-N 3.09Å
106L98.8Very high98.3Very high31 Ų3155.8 Ų55.816%0.16227%0.271CS..Hα-helixtrans-59-42.8179-58.9-175.4000112.2Y36 W38 N103 C110Y36-L106 HydrophobicContact CD1-CD1 4.07Å; Y36-L106 HydrophobicContact CD1-CD2 4.33Å; Y36-L106 HydrophobicContact CD2-CB 3.7Å; Y36-L106 HydrophobicContact CD2-CD1 4.12Å; Y36-L106 HydrophobicContact CD2-CD2 4.46Å; Y36-L106 HydrophobicContact CD2-CG 4.31Å; Y36-L106 HydrophobicContact CE1-CD1 4.49Å; Y36-L106 HydrophobicContact CE1-CD2 3.92Å; Y36-L106 HydrophobicContact CE2-CB 3.69Å; Y36-L106 HydrophobicContact CE2-CD2 4.06Å; Y36-L106 HydrophobicContact CE2-CG 4.29Å; Y36-L106 HydrophobicContact CG-CB 4.3Å; Y36-L106 HydrophobicContact CG-CD1 3.84Å; Y36-L106 HydrophobicContact CG-CG 4.47Å; W38-L106 HydrophobicContact CZ2-CD1 3.8Å; N103-L106 PolarHBondContact O-N 3.39Å; L106-C110 PolarHBondContact O-N 2.95Å; L106-C110 VanDerWaalsContact O-N 3.07Å; L106-C110 PolarHBondContact O-SG 3.45Å
107L98.8Very high98.4Very high41 Ų4151.2 Ų51.222%0.21526%0.263CS..Hα-helixtrans-69.6-39.3176.5-175.658.1000112.1L29 C32 V68 N103 F104 R105 C110 L111L29-L107 HydrophobicContact CD1-CD1 4.48Å; C32-L107 HydrophobicContact CB-CD1 3.85Å; V68-L107 HydrophobicContact CG1-CD2 4.02Å; N103-L107 PolarHBondContact O-N 3.33Å; N103-L107 VanDerWaalsContact O-N 3.13Å; F104-L107 PolarHBondContact O-N 3.07Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 3.38Å; L107-C110 PolarHBondContact O-N 3.14Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 PolarHBondContact O-N 3.45Å
108A98.8Very high98.5Very high13 Ų1354.3 Ų54.311%0.10727%0.27CS..Hα-helixtrans-61.2-42.1175.200000112.5F104 R105 L111 T112 L135 V139F104-A108 WeakPolarHBondContact O-CB 3.4Å; F104-A108 PolarHBondContact O-N 3.43Å; R105-A108 WeakPolarHBondContact O-CB 3.31Å; R105-A108 PolarHBondContact O-N 2.87Å; A108-L111 PolarHBondContact O-N 2.85Å; A108-T112 PolarHBondContact O-N 3.35Å; A108-T112 PolarHBondContact O-OG1 3.48Å; A108-L135 HydrophobicContact CB-CB 4.08Å; A108-L135 HydrophobicContact CB-CD1 4.16Å; A108-L135 WeakPolarHBondContact O-CD1 3.31Å; A108-V139 HydrophobicContact CB-CG2 3.82Å
109D98.9Very high98.5Very high47 Ų4747.7 Ų47.725%0.25125%0.248SC..Hα-helixtrans-66.2-41.7176-70.4-19.2000110.9R105 L111 T112 I113R105-D109 IonicContact NE-OD2 3.35Å; R105-D109 PolarHBondContact O-N 3.09Å; D109-L111 PolarHBondContact O-N 3.19Å; D109-T112 WeakPolarHBondContact O-CB 3.43Å; D109-T112 PolarHBondContact O-N 2.97Å; D109-I113 WeakPolarHBondContact O-CG1 3.33Å; D109-I113 PolarHBondContact O-N 3.48Å
110C98.9Very high98.5Very high2 Ų249 Ų491%0.01427%0.265CS..Hα-helixtrans-61.4-42.4174.6-73.20000112.6R31 C32 L106 L107 I113 V114R31-C110 HydrophobicContact CB-CB 4.46Å; R31-C110 HydrophobicContact CG-CB 4.23Å; C32-C110 HydrophobicContact CB-CB 4.33Å; L106-C110 PolarHBondContact O-N 2.95Å; L106-C110 VanDerWaalsContact O-N 3.07Å; L106-C110 PolarHBondContact O-SG 3.45Å; L107-C110 PolarHBondContact O-N 3.14Å; C110-I113 PolarHBondContact O-N 3.46Å; C110-V114 WeakPolarHBondContact O-CG2 3.5Å; C110-V114 PolarHBondContact O-N 3.07Å; C110-V114 VanDerWaalsContact O-N 3.08Å
111L98.9Very high98.5Very high10 Ų1050.4 Ų50.45%0.05229%0.286CS..Hα-helixtrans-63.2-44.2175.3177.660.1000111.3V24 A28 L72 L107 A108 D109 I113 V114 V115 F131 L135V24-L111 HydrophobicContact CG1-CD1 3.62Å; A28-L111 HydrophobicContact CB-CB 4.25Å; A28-L111 HydrophobicContact CB-CD1 4.01Å; L72-L111 HydrophobicContact CD1-CD2 3.44Å; L72-L111 VanDerWaalsContact CD1-CD2 3.44Å; L107-L111 WeakPolarHBondContact O-CB 3.43Å; L107-L111 PolarHBondContact O-N 3.45Å; A108-L111 PolarHBondContact O-N 2.85Å; D109-L111 PolarHBondContact O-N 3.19Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 3.24Å; L111-V114 PolarHBondContact O-N 3.13Å; L111-V115 HydrophobicContact CD1-CG2 4Å; L111-V115 HydrophobicContact CG-CG2 4.39Å; L111-V115 WeakPolarHBondContact O-CG2 3.28Å; L111-V115 PolarHBondContact O-N 3.1Å; L111-F131 HydrophobicContact CD2-CZ 4.16Å; L111-F131 HydrophobicContact CG-CE1 4.33Å; L111-F131 HydrophobicContact CG-CZ 4.09Å; L111-L135 HydrophobicContact CD2-CD1 4.29Å; L111-L135 HydrophobicContact CD2-CD2 4Å
112T98.8Very high98.5Very high11 Ų1153.8 Ų53.87%0.06730%0.302CS..Hα-helixtrans-56.1-46175.8-58.70000111.3A108 D109 V114 V115 A116 F123 F131 Q132 L135A108-T112 PolarHBondContact O-N 3.35Å; A108-T112 PolarHBondContact O-OG1 3.48Å; D109-T112 WeakPolarHBondContact O-CB 3.43Å; D109-T112 PolarHBondContact O-N 2.97Å; T112-V114 PolarHBondContact O-N 2.9Å; T112-V115 PolarHBondContact O-N 3.37Å; T112-A116 VanDerWaalsContact O-CB 3.28Å; T112-A116 WeakPolarHBondContact O-CB 3.49Å; T112-A116 PolarHBondContact O-N 3.5Å; T112-F123 HydrophobicContact CG2-CE1 4.14Å; T112-F123 HydrophobicContact CG2-CZ 4.06Å; T112-F131 HydrophobicContact CG2-CD1 4.45Å; T112-Q132 HydrophobicContact CG2-CG 4.23Å; T112-L135 WeakPolarHBondContact OG1-CD1 3.37Å
113I98.9Very high98.6Very high82 Ų8249.3 Ų49.342%0.42128%0.276SS..Hα-helixtrans-62.9-42178.3-67.2162.5000111.5D109 C110 L111 A117D109-I113 WeakPolarHBondContact O-CG1 3.33Å; D109-I113 PolarHBondContact O-N 3.48Å; C110-I113 PolarHBondContact O-N 3.46Å; L111-I113 VanDerWaalsContact C-N 3.31Å; L111-I113 PolarHBondContact O-N 3.24Å; I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 3.5Å
114V98.8Very high98.6Very high7 Ų751.9 Ų51.94%0.04229%0.292CS..Hα-helixtrans-67.2-46.3179.4173.70000111V24 A27 A28 C110 L111 T112 A116 A117 R118V24-V114 HydrophobicContact CB-CG1 4.32Å; V24-V114 HydrophobicContact CG1-CG1 3.88Å; V24-V114 HydrophobicContact CG2-CG1 4.34Å; A27-V114 HydrophobicContact CB-CG1 3.85Å; A27-V114 HydrophobicContact CB-CG2 4.19Å; A28-V114 HydrophobicContact CB-CG2 4.34Å; C110-V114 WeakPolarHBondContact O-CG2 3.5Å; C110-V114 PolarHBondContact O-N 3.07Å; C110-V114 VanDerWaalsContact O-N 3.08Å; L111-V114 PolarHBondContact O-N 3.13Å; T112-V114 PolarHBondContact O-N 2.9Å; V114-A116 VanDerWaalsContact C-N 3.34Å; V114-A116 PolarHBondContact O-N 3.41Å; V114-A117 PolarHBondContact O-N 2.95Å; V114-A117 VanDerWaalsContact O-N 3.17Å; V114-R118 WeakPolarHBondContact O-CG 3.38Å; V114-R118 PolarHBondContact O-N 2.52Å; V114-R118 VanDerWaalsContact O-N 3.08Å
115V98.7Very high98.6Very high5 Ų554.9 Ų54.93%0.0332%0.32CS..Hα-helixtrans-60.1-45177172.10000110.8I15 M19 V24 L111 T112 A117 R118 M119 F123 F131I15-V115 HydrophobicContact CG2-CG1 4.17Å; M19-V115 HydrophobicContact CE-CG2 3.76Å; V24-V115 HydrophobicContact CG1-CG2 4.11Å; L111-V115 HydrophobicContact CD1-CG2 4Å; L111-V115 HydrophobicContact CG-CG2 4.39Å; L111-V115 WeakPolarHBondContact O-CG2 3.28Å; L111-V115 PolarHBondContact O-N 3.1Å; T112-V115 PolarHBondContact O-N 3.37Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 3.28Å; V115-R118 PolarHBondContact O-N 3.33Å; V115-R118 VanDerWaalsContact O-N 3.1Å; V115-M119 HydrophobicContact CG1-CG 4.28Å; V115-M119 HydrophobicContact CG1-SD 3.69Å; V115-M119 WeakPolarHBondContact O-CG 3.43Å; V115-M119 PolarHBondContact O-N 3.32Å; V115-F123 HydrophobicContact CG1-CD2 4.23Å; V115-F123 HydrophobicContact CG1-CE2 3.94Å; V115-F131 HydrophobicContact CB-CE1 4.27Å; V115-F131 HydrophobicContact CB-CZ 4.43Å; V115-F131 HydrophobicContact CG2-CE1 4.12Å; V115-F131 HydrophobicContact CG2-CZ 3.87Å
116A98.7Very high98.6Very high29 Ų2952.5 Ų52.524%0.2432%0.32CS..Hα-helixtrans-57.2-44.1175.200000112.1T112 V114 R118 M119 G120 F123T112-A116 VanDerWaalsContact O-CB 3.28Å; T112-A116 WeakPolarHBondContact O-CB 3.49Å; T112-A116 PolarHBondContact O-N 3.5Å; V114-A116 VanDerWaalsContact C-N 3.34Å; V114-A116 PolarHBondContact O-N 3.41Å; A116-R118 VanDerWaalsContact C-N 3.27Å; A116-R118 PolarHBondContact O-N 2.91Å; A116-M119 PolarHBondContact O-N 3.49Å; A116-G120 PolarHBondContact O-N 2.91Å; A116-F123 HydrophobicContact CB-CB 4.39Å; A116-F123 HydrophobicContact CB-CD1 3.37Å; A116-F123 HydrophobicContact CB-CE1 3.69Å; A116-F123 HydrophobicContact CB-CG 3.93Å; A116-F123 HydrophobicContact CB-CZ 4.49Å
117A98.6Very high98.6Very high67 Ų6752 Ų5255%0.55432%0.318SS*.Hα-helixtrans-65.9-27.2178.400000113.5I113 V114 V115I113-A117 WeakPolarHBondContact O-CB 3.44Å; I113-A117 PolarHBondContact O-N 3.5Å; V114-A117 PolarHBondContact O-N 2.95Å; V114-A117 VanDerWaalsContact O-N 3.17Å; V115-A117 VanDerWaalsContact C-N 3.31Å; V115-A117 PolarHBondContact O-N 3.28Å
118R97.8Very high98.6Very high148 Ų14853.5 Ų53.556%0.55832%0.324SS*.Hα-helixtrans-84.8-34.6176.8-63.1-44.6-174.4-154.16.3113.4D23 V24 V114 V115 A116D23-R118 IonicContact OD1-CZ 3.82Å; D23-R118 IonicContact OD1-NE 3.39Å; D23-R118 IonicContact OD1-NH2 2.69Å; D23-R118 PolarHBondContact OD1-NH2 2.96Å; D23-R118 IonicContact OD2-CZ 2.76Å; D23-R118 IonicContact OD2-NE 3.51Å; D23-R118 PolarHBondContact OD2-NE 3.01Å; D23-R118 IonicContact OD2-NH2 3.55Å; D23-R118 PolarHBondContact OD2-NH2 3.38Å; V24-R118 HydrophobicContact CG2-CG 4.22Å; V114-R118 WeakPolarHBondContact O-CG 3.38Å; V114-R118 PolarHBondContact O-N 2.52Å; V114-R118 VanDerWaalsContact O-N 3.08Å; V115-R118 PolarHBondContact O-N 3.33Å; V115-R118 VanDerWaalsContact O-N 3.1Å; A116-R118 VanDerWaalsContact C-N 3.27Å; A116-R118 PolarHBondContact O-N 2.91Å
119M98.1Very high98.6Very high57 Ų5754.6 Ų54.628%0.28134%0.337SS..Hα-helixtrans-82.4-24.3178.5-69.9-175.667.400112.8I15 V115 A116 A121 D122 F123 V127I15-M119 HydrophobicContact CG1-CE 4.3Å; I15-M119 HydrophobicContact CG1-SD 4.04Å; V115-M119 HydrophobicContact CG1-CG 4.28Å; V115-M119 HydrophobicContact CG1-SD 3.69Å; V115-M119 WeakPolarHBondContact O-CG 3.43Å; V115-M119 PolarHBondContact O-N 3.32Å; A116-M119 PolarHBondContact O-N 3.49Å; M119-A121 PolarHBondContact O-N 2.97Å; M119-D122 HydrophobicContact CB-CB 4.46Å; M119-D122 HydrophobicContact CE-CB 4.3Å; M119-D122 WeakPolarHBondContact O-CB 3.47Å; M119-D122 PolarHBondContact O-N 3.28Å; M119-F123 HydrophobicContact CB-CB 3.9Å; M119-F123 HydrophobicContact CE-CD2 4.36Å; M119-F123 HydrophobicContact SD-CD2 3.72Å; M119-F123 HydrophobicContact SD-CE2 4.42Å; M119-V127 HydrophobicContact CE-CG1 3.99Å
120G98.2Very high98.6Very high46 Ų4652.5 Ų52.547%0.47433%0.326SS..G310 helixtrans60.2-128.7179.900000111.7A116 D122 F123A116-G120 PolarHBondContact O-N 2.91Å; G120-D122 PolarHBondContact O-N 3.28Å; G120-F123 PolarHBondContact O-N 3.34Å; G120-F123 VanDerWaalsContact O-N 3.14Å
121A98.1Very high98.6Very high97 Ų9752.4 Ų52.480%0.80233%0.325SS*.G310 helixtrans-63.7-20-179.200000113.8M119 F123M119-A121 PolarHBondContact O-N 2.97Å; A121-F123 PolarHBondContact O-N 3.41Å
122D98Very high98.6Very high120 Ų12055.8 Ų55.864%0.64234%0.341SS*.G310 helixtrans-75.1-14178-65.3-18.8000112.5M119 G120 T124M119-D122 HydrophobicContact CB-CB 4.46Å; M119-D122 HydrophobicContact CE-CB 4.3Å; M119-D122 WeakPolarHBondContact O-CB 3.47Å; M119-D122 PolarHBondContact O-N 3.28Å; G120-D122 PolarHBondContact O-N 3.28Å; D122-T124 PolarHBondContact O-N 2.94Å
123F98.6Very high98.6Very high26 Ų2658.2 Ų58.211%0.11435%0.351CS..SBendtrans-81.864.4171.6-157.6-111.9000111T112 V115 A116 M119 G120 A121 V127 Q128 F131T112-F123 HydrophobicContact CG2-CE1 4.14Å; T112-F123 HydrophobicContact CG2-CZ 4.06Å; V115-F123 HydrophobicContact CG1-CD2 4.23Å; V115-F123 HydrophobicContact CG1-CE2 3.94Å; A116-F123 HydrophobicContact CB-CB 4.39Å; A116-F123 HydrophobicContact CB-CD1 3.37Å; A116-F123 HydrophobicContact CB-CE1 3.69Å; A116-F123 HydrophobicContact CB-CG 3.93Å; A116-F123 HydrophobicContact CB-CZ 4.49Å; M119-F123 HydrophobicContact CB-CB 3.9Å; M119-F123 HydrophobicContact CE-CD2 4.36Å; M119-F123 HydrophobicContact SD-CD2 3.72Å; M119-F123 HydrophobicContact SD-CE2 4.42Å; G120-F123 PolarHBondContact O-N 3.34Å; G120-F123 VanDerWaalsContact O-N 3.14Å; A121-F123 PolarHBondContact O-N 3.41Å; F123-V127 HydrophobicContact CD2-CG1 3.7Å; F123-V127 HydrophobicContact CE2-CG1 3.98Å; F123-Q128 HydrophobicContact CD1-CB 4.08Å; F123-Q128 HydrophobicContact CE1-CB 3.54Å; F123-Q128 HydrophobicContact CE1-CG 3.68Å; F123-Q128 HydrophobicContact CZ-CB 3.88Å; F123-Q128 HydrophobicContact CZ-CG 4.09Å; F123-F131 HydrophobicContact CE2-CB 4.27Å; F123-F131 HydrophobicContact CE2-CD1 4.39Å; F123-F131 HydrophobicContact CE2-CG 4.46Å; F123-F131 HydrophobicContact CZ-CB 4.35Å; F123-F131 HydrophobicContact CZ-CD1 4.18Å
124T98.7Very high98.6Very high68 Ų6854.3 Ų54.342%0.41733%0.331SS..  trans-65.8168.3179.871.50000111.8D122 D126 V127 Q128D122-T124 PolarHBondContact O-N 2.94Å; T124-D126 VanDerWaalsContact C-N 3.28Å; T124-D126 PolarHBondContact O-N 3.33Å; T124-V127 PolarHBondContact O-N 2.86Å; T124-V127 VanDerWaalsContact O-N 3.16Å; T124-V127 WeakPolarHBondContact OG1-CG2 3.41Å; T124-V127 PolarHBondContact OG1-N 3.18Å; T124-Q128 WeakPolarHBondContact O-CB 3.27Å; T124-Q128 PolarHBondContact O-N 3.25Å
125A98.8Very high98.6Very high80 Ų8054.3 Ų54.366%0.66133%0.33SS*.Hα-helixtrans-57-38.9178.400000113.1G129A125-G129 PolarHBondContact O-N 3.16Å
126D98.6Very high98.6Very high116 Ų11657 Ų5762%0.6235%0.352SS*.Hα-helixtrans-70.2-38.9178.3-63.6-38.4000111.9F7 T124 G129 A130F7-D126 HydrophobicContact CE1-CB 4.03Å; F7-D126 HydrophobicContact CZ-CB 3.88Å; T124-D126 VanDerWaalsContact C-N 3.28Å; T124-D126 PolarHBondContact O-N 3.33Å; D126-G129 PolarHBondContact O-N 3.44Å; D126-A130 PolarHBondContact O-N 2.96Å
127V98.8Very high98.5Very high20 Ų2056.8 Ų56.812%0.12135%0.348CS..Hα-helixtrans-65.1-45.5175.4173.40000110.4T11 I15 M119 F123 T124 G129 A130 F131T11-V127 HydrophobicContact CG2-CB 4.31Å; T11-V127 HydrophobicContact CG2-CG1 4.02Å; T11-V127 HydrophobicContact CG2-CG2 4.17Å; I15-V127 HydrophobicContact CD1-CG1 3.91Å; M119-V127 HydrophobicContact CE-CG1 3.99Å; F123-V127 HydrophobicContact CD2-CG1 3.7Å; F123-V127 HydrophobicContact CE2-CG1 3.98Å; T124-V127 PolarHBondContact O-N 2.86Å; T124-V127 VanDerWaalsContact O-N 3.16Å; T124-V127 WeakPolarHBondContact OG1-CG2 3.41Å; T124-V127 PolarHBondContact OG1-N 3.18Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 3.33Å; V127-A130 PolarHBondContact O-N 3.46Å; V127-F131 WeakPolarHBondContact O-CB 3.5Å; V127-F131 PolarHBondContact O-N 3.3Å
128Q98.8Very high98.5Very high73 Ų7353.9 Ų53.934%0.34132%0.324SS..Hα-helixtrans-58.5-45.8173.4179.3179.4-1.600111.1F123 T124 A130 F131 Q132F123-Q128 HydrophobicContact CD1-CB 4.08Å; F123-Q128 HydrophobicContact CE1-CB 3.54Å; F123-Q128 HydrophobicContact CE1-CG 3.68Å; F123-Q128 HydrophobicContact CZ-CB 3.88Å; F123-Q128 HydrophobicContact CZ-CG 4.09Å; T124-Q128 WeakPolarHBondContact O-CB 3.27Å; T124-Q128 PolarHBondContact O-N 3.25Å; Q128-A130 PolarHBondContact O-N 3.01Å; Q128-F131 PolarHBondContact O-N 3.39Å; Q128-Q132 HydrophobicContact CG-CG 4.06Å; Q128-Q132 VanDerWaalsContact O-CB 3.32Å; Q128-Q132 WeakPolarHBondContact O-CB 3.36Å; Q128-Q132 WeakPolarHBondContact O-CG 3.26Å; Q128-Q132 PolarHBondContact O-N 2.89Å
129G98.8Very high98.6Very high36 Ų3648.4 Ų48.437%0.37131%0.307SS..Hα-helixtrans-58.1-47.1178.600000112.4A125 D126 V127 K133A125-G129 PolarHBondContact O-N 3.16Å; D126-G129 PolarHBondContact O-N 3.44Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 3.33Å; G129-K133 VanDerWaalsContact O-CB 3.29Å; G129-K133 WeakPolarHBondContact O-CB 3.37Å; G129-K133 PolarHBondContact O-N 2.71Å
130A98.8Very high98.6Very high3 Ų349.7 Ų49.73%0.02532%0.321CS..Hα-helixtrans-61.8-45.6175.900000112.1E8 T11 D126 V127 Q128 K133 F134E8-A130 HydrophobicContact CB-CB 4.33Å; E8-A130 HydrophobicContact CG-CB 4.07Å; T11-A130 HydrophobicContact CG2-CB 3.98Å; D126-A130 PolarHBondContact O-N 2.96Å; V127-A130 PolarHBondContact O-N 3.46Å; Q128-A130 PolarHBondContact O-N 3.01Å; A130-K133 PolarHBondContact O-N 3.02Å; A130-F134 PolarHBondContact O-N 3.48Å
131F98.8Very high98.6Very high0 Ų047.8 Ų47.80%030%0.301CS..Hα-helixtrans-68.2-42-178.8-168.1-110000112.7I15 F16 L111 T112 V115 F123 V127 Q128 F134 L135I15-F131 HydrophobicContact CD1-CB 4.13Å; I15-F131 HydrophobicContact CD1-CD2 3.76Å; I15-F131 HydrophobicContact CD1-CG 4.21Å; I15-F131 HydrophobicContact CG2-CD2 4.19Å; I15-F131 HydrophobicContact CG2-CE2 3.95Å; F16-F131 AromaticContact CE2-CE2 3.84Å; F16-F131 HydrophobicContact CE2-CE2 3.84Å; F16-F131 HydrophobicContact CZ-CE2 4.37Å; L111-F131 HydrophobicContact CD2-CZ 4.16Å; L111-F131 HydrophobicContact CG-CE1 4.33Å; L111-F131 HydrophobicContact CG-CZ 4.09Å; T112-F131 HydrophobicContact CG2-CD1 4.45Å; V115-F131 HydrophobicContact CB-CE1 4.27Å; V115-F131 HydrophobicContact CB-CZ 4.43Å; V115-F131 HydrophobicContact CG2-CE1 4.12Å; V115-F131 HydrophobicContact CG2-CZ 3.87Å; F123-F131 HydrophobicContact CE2-CB 4.27Å; F123-F131 HydrophobicContact CE2-CD1 4.39Å; F123-F131 HydrophobicContact CE2-CG 4.46Å; F123-F131 HydrophobicContact CZ-CB 4.35Å; F123-F131 HydrophobicContact CZ-CD1 4.18Å; V127-F131 WeakPolarHBondContact O-CB 3.5Å; V127-F131 PolarHBondContact O-N 3.3Å; Q128-F131 PolarHBondContact O-N 3.39Å; F131-F134 WeakPolarHBondContact O-CB 3.47Å; F131-F134 PolarHBondContact O-N 3.23Å; F131-L135 HydrophobicContact CD1-CD1 3.88Å; F131-L135 HydrophobicContact CD1-CG 4.47Å; F131-L135 HydrophobicContact CE1-CD1 3.42Å; F131-L135 VanDerWaalsContact CE1-CD1 3.42Å; F131-L135 HydrophobicContact CE1-CG 4.18Å; F131-L135 HydrophobicContact CZ-CD1 3.92Å; F131-L135 HydrophobicContact CZ-CG 4.33Å; F131-L135 PolarHBondContact O-N 3.35Å
132Q98.7Very high98.6Very high81 Ų8144.1 Ų44.138%0.37927%0.267SS..Hα-helixtrans-66.3-40175.9-76-171.7-37.900111.7T112 Q128 F134 L135 A136T112-Q132 HydrophobicContact CG2-CG 4.23Å; Q128-Q132 HydrophobicContact CG-CG 4.06Å; Q128-Q132 VanDerWaalsContact O-CB 3.32Å; Q128-Q132 WeakPolarHBondContact O-CB 3.36Å; Q128-Q132 WeakPolarHBondContact O-CG 3.26Å; Q128-Q132 PolarHBondContact O-N 2.89Å; Q132-F134 VanDerWaalsContact C-N 3.35Å; Q132-L135 PolarHBondContact O-N 3.48Å; Q132-A136 VanDerWaalsContact O-CB 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 3.29Å; Q132-A136 PolarHBondContact O-N 3.5Å
133K98.8Very high98.5Very high62 Ų6239.6 Ų39.627%0.2725%0.25SC..Hα-helixtrans-58.8-47.7172.7-177.3-176173.9-179.90110.7Q3 W4 E8 G129 A130 L135 A136 V137Q3-K133 WeakPolarHBondContact O-CE 3.43Å; Q3-K133 PolarHBondContact O-NZ 2.86Å; W4-K133 HydrophobicContact CE3-CD 4.14Å; W4-K133 HydrophobicContact CH2-CD 4.27Å; W4-K133 HydrophobicContact CH2-CG 3.87Å; W4-K133 HydrophobicContact CZ3-CB 4.24Å; W4-K133 HydrophobicContact CZ3-CD 3.65Å; W4-K133 HydrophobicContact CZ3-CG 3.68Å; E8-K133 WeakPolarHBondContact OE1-CD 3.43Å; E8-K133 IonicContact OE1-NZ 2.8Å; E8-K133 PolarHBondContact OE1-NZ 3Å; E8-K133 IonicContact OE2-NZ 2.75Å; E8-K133 PolarHBondContact OE2-NZ 3.33Å; G129-K133 VanDerWaalsContact O-CB 3.29Å; G129-K133 WeakPolarHBondContact O-CB 3.37Å; G129-K133 PolarHBondContact O-N 2.71Å; A130-K133 PolarHBondContact O-N 3.02Å; K133-L135 PolarHBondContact O-N 3.39Å; K133-A136 PolarHBondContact O-N 3.41Å; K133-V137 WeakPolarHBondContact O-CG2 3.33Å; K133-V137 PolarHBondContact O-N 2.9Å; K133-V137 VanDerWaalsContact O-N 3.12Å
134F98.8Very high98.3Very high0 Ų045.4 Ų45.40%027%0.271CS..Hα-helixtrans-52.3-55.6173.9175.1-102.8000112.4W4 I12 F16 A75 V76 I82 A130 F131 Q132 A136 V137 V138W4-F134 HydrophobicContact CH2-CB 4.26Å; W4-F134 HydrophobicContact CZ3-CB 4.48Å; I12-F134 HydrophobicContact CD1-CB 3.65Å; I12-F134 HydrophobicContact CD1-CD2 4.16Å; I12-F134 HydrophobicContact CD1-CG 4.16Å; I12-F134 HydrophobicContact CG1-CB 4.04Å; I12-F134 HydrophobicContact CG1-CG 4.4Å; I12-F134 HydrophobicContact CG2-CD2 3.97Å; I12-F134 HydrophobicContact CG2-CE2 4.21Å; I12-F134 HydrophobicContact CG2-CG 4.11Å; F16-F134 HydrophobicContact CE2-CD1 4.21Å; F16-F134 AromaticContact CE2-CE1 3.73Å; F16-F134 HydrophobicContact CE2-CE1 3.73Å; F16-F134 HydrophobicContact CE2-CZ 4.25Å; F16-F134 HydrophobicContact CZ-CD1 4.43Å; F16-F134 AromaticContact CZ-CE1 3.62Å; F16-F134 HydrophobicContact CZ-CE1 3.62Å; F16-F134 HydrophobicContact CZ-CZ 4.15Å; A75-F134 HydrophobicContact CB-CE2 3.71Å; A75-F134 HydrophobicContact CB-CZ 3.65Å; V76-F134 HydrophobicContact CG2-CE1 4.4Å; V76-F134 HydrophobicContact CG2-CE2 4.02Å; V76-F134 HydrophobicContact CG2-CZ 3.64Å; I82-F134 HydrophobicContact CD1-CD2 4.28Å; I82-F134 HydrophobicContact CD1-CE2 4.14Å; A130-F134 PolarHBondContact O-N 3.48Å; F131-F134 WeakPolarHBondContact O-CB 3.47Å; F131-F134 PolarHBondContact O-N 3.23Å; Q132-F134 VanDerWaalsContact C-N 3.35Å; F134-A136 VanDerWaalsContact C-N 3.32Å; F134-A136 PolarHBondContact O-N 2.92Å; F134-V137 PolarHBondContact O-N 3.02Å; F134-V137 VanDerWaalsContact O-N 3.16Å; F134-V138 HydrophobicContact CD1-CG2 4.46Å; F134-V138 HydrophobicContact CE1-CG2 4.06Å; F134-V138 HydrophobicContact CE2-CG2 4.28Å; F134-V138 HydrophobicContact CZ-CG2 3.97Å; F134-V138 WeakPolarHBondContact O-CG2 3.4Å; F134-V138 PolarHBondContact O-N 3.19Å
135L98.8Very high98.1Very high7 Ų745.5 Ų45.54%0.03727%0.266CS..Hα-helixtrans-64.5-34.6-178.8-67.7-179.9000112.8L72 A108 L111 T112 F131 Q132 K133 V137 V138 V139L72-L135 HydrophobicContact CD1-CD2 4.24Å; A108-L135 HydrophobicContact CB-CB 4.08Å; A108-L135 HydrophobicContact CB-CD1 4.16Å; A108-L135 WeakPolarHBondContact O-CD1 3.31Å; L111-L135 HydrophobicContact CD2-CD1 4.29Å; L111-L135 HydrophobicContact CD2-CD2 4Å; T112-L135 WeakPolarHBondContact OG1-CD1 3.37Å; F131-L135 HydrophobicContact CD1-CD1 3.88Å; F131-L135 HydrophobicContact CD1-CG 4.47Å; F131-L135 HydrophobicContact CE1-CD1 3.42Å; F131-L135 VanDerWaalsContact CE1-CD1 3.42Å; F131-L135 HydrophobicContact CE1-CG 4.18Å; F131-L135 HydrophobicContact CZ-CD1 3.92Å; F131-L135 HydrophobicContact CZ-CG 4.33Å; F131-L135 PolarHBondContact O-N 3.35Å; Q132-L135 PolarHBondContact O-N 3.48Å; K133-L135 PolarHBondContact O-N 3.39Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.95Å; L135-V138 WeakPolarHBondContact O-CB 2.99Å; L135-V138 PolarHBondContact O-N 3.3Å; L135-V139 WeakPolarHBondContact O-CB 3.31Å; L135-V139 VanDerWaalsContact O-CG2 3.26Å; L135-V139 WeakPolarHBondContact O-CG2 3.4Å; L135-V139 PolarHBondContact O-N 3.39Å
136A98.6Very high98Very high60 Ų6044 Ų4450%0.49624%0.244SC..Hα-helixtrans-62.1-39.2175.100000112.1Q132 K133 F134 S140Q132-A136 VanDerWaalsContact O-CB 3.3Å; Q132-A136 WeakPolarHBondContact O-CB 3.29Å; Q132-A136 PolarHBondContact O-N 3.5Å; K133-A136 PolarHBondContact O-N 3.41Å; F134-A136 VanDerWaalsContact C-N 3.32Å; F134-A136 PolarHBondContact O-N 2.92Å; A136-S140 WeakPolarHBondContact O-CB 3.35Å; A136-S140 PolarHBondContact O-N 2.97Å
137V98.5Very high97.3Very high25 Ų2549.4 Ų49.415%0.15227%0.265CS..Hα-helixtrans-68.3-39175.1-177.90000111.4V2 W4 I82 K133 F134 L135 S141V2-V137 HydrophobicContact CB-CG2 4.29Å; V2-V137 HydrophobicContact CG1-CG2 4.05Å; V2-V137 HydrophobicContact CG2-CG1 4.35Å; V2-V137 HydrophobicContact CG2-CG2 3.72Å; W4-V137 HydrophobicContact CH2-CB 4.49Å; W4-V137 HydrophobicContact CH2-CG2 3.94Å; W4-V137 HydrophobicContact CZ2-CB 4.24Å; W4-V137 HydrophobicContact CZ2-CG1 4.48Å; W4-V137 HydrophobicContact CZ2-CG2 3.83Å; I82-V137 HydrophobicContact CB-CG1 4.05Å; I82-V137 HydrophobicContact CD1-CB 4.24Å; I82-V137 HydrophobicContact CD1-CG1 3.79Å; I82-V137 HydrophobicContact CG1-CG1 4.4Å; I82-V137 HydrophobicContact CG2-CG1 4.3Å; K133-V137 WeakPolarHBondContact O-CG2 3.33Å; K133-V137 PolarHBondContact O-N 2.9Å; K133-V137 VanDerWaalsContact O-N 3.12Å; F134-V137 PolarHBondContact O-N 3.02Å; F134-V137 VanDerWaalsContact O-N 3.16Å; L135-V137 VanDerWaalsContact C-N 3.32Å; L135-V137 PolarHBondContact O-N 2.95Å; V137-S141 WeakPolarHBondContact O-CB 3.46Å; V137-S141 PolarHBondContact O-N 2.89Å; V137-S141 PolarHBondContact O-OG 3.02Å
138V98.6Very high97.2Very high6 Ų650.9 Ų50.94%0.03627%0.272CS..Hα-helixtrans-60.5-51.4173.5170.60000111L72 A75 I82 Y86 F134 L135 S140 S141 L142L72-V138 HydrophobicContact CD2-CG1 3.78Å; L72-V138 HydrophobicContact CD2-CG2 4.24Å; A75-V138 HydrophobicContact CB-CG2 3.94Å; I82-V138 HydrophobicContact CG2-CG2 4.21Å; Y86-V138 HydrophobicContact CD2-CG1 4.24Å; Y86-V138 HydrophobicContact CE2-CB 4.22Å; Y86-V138 HydrophobicContact CE2-CG1 3.66Å; Y86-V138 HydrophobicContact CE2-CG2 3.97Å; F134-V138 HydrophobicContact CD1-CG2 4.46Å; F134-V138 HydrophobicContact CE1-CG2 4.06Å; F134-V138 HydrophobicContact CE2-CG2 4.28Å; F134-V138 HydrophobicContact CZ-CG2 3.97Å; F134-V138 WeakPolarHBondContact O-CG2 3.4Å; F134-V138 PolarHBondContact O-N 3.19Å; L135-V138 WeakPolarHBondContact O-CB 2.99Å; L135-V138 PolarHBondContact O-N 3.3Å; V138-S140 PolarHBondContact O-N 3.2Å; V138-S141 WeakPolarHBondContact O-CB 3.31Å; V138-S141 PolarHBondContact O-N 3.27Å; V138-S141 VanDerWaalsContact O-N 3.08Å; V138-L142 HydrophobicContact CG1-CD1 3.91Å; V138-L142 HydrophobicContact CG1-CG 4.43Å; V138-L142 PolarHBondContact O-N 3.27Å
139V98.6Very high97.1Very high34 Ų3449.7 Ų49.721%0.20627%0.268CS..Hα-helixtrans-58-48.1178.3168.20000110.8F104 A108 L135 S141 L142 G143F104-V139 HydrophobicContact CB-CB 4.41Å; F104-V139 HydrophobicContact CB-CG1 3.96Å; F104-V139 HydrophobicContact CB-CG2 4.1Å; A108-V139 HydrophobicContact CB-CG2 3.82Å; L135-V139 WeakPolarHBondContact O-CB 3.31Å; L135-V139 VanDerWaalsContact O-CG2 3.26Å; L135-V139 WeakPolarHBondContact O-CG2 3.4Å; L135-V139 PolarHBondContact O-N 3.39Å; V139-S141 PolarHBondContact O-N 3.3Å; V139-L142 PolarHBondContact O-N 3.21Å; V139-G143 PolarHBondContact O-N 2.78Å
140S98.1Very high97Very high83 Ų8350.4 Ų50.458%0.5826%0.263SS*.Hα-helixtrans-59.5-35.4176.4175.90000112.6A136 V138A136-S140 WeakPolarHBondContact O-CB 3.35Å; A136-S140 PolarHBondContact O-N 2.97Å; V138-S140 PolarHBondContact O-N 3.2Å
141S97.9Very high96.9Very high6 Ų653.2 Ų53.24%0.04228%0.277CS..Hα-helixtrans-74.8-39.8179.5-58.90000111.9K83 V137 V138 V139 G143 R144K83-S141 WeakPolarHBondContact CA-OG 3.35Å; V137-S141 WeakPolarHBondContact O-CB 3.46Å; V137-S141 PolarHBondContact O-N 2.89Å; V137-S141 PolarHBondContact O-OG 3.02Å; V138-S141 WeakPolarHBondContact O-CB 3.31Å; V138-S141 PolarHBondContact O-N 3.27Å; V138-S141 VanDerWaalsContact O-N 3.08Å; V139-S141 PolarHBondContact O-N 3.3Å; S141-G143 VanDerWaalsContact C-N 3.34Å; S141-R144 VanDerWaalsContact O-CB 3.31Å; S141-R144 WeakPolarHBondContact O-CB 3.46Å; S141-R144 PolarHBondContact O-N 3.31Å
142L98.1Very high96.8Very high20 Ų2056.6 Ų56.611%0.10529%0.294CS..Hα-helixtrans-67.2-32.9175.5-75.1172.1000112.7Y86 L89 S90 F104 V138 V139 R144 Y146Y86-L142 HydrophobicContact CD2-CG 4.46Å; Y86-L142 HydrophobicContact CG-CD2 4.4Å; L89-L142 HydrophobicContact CB-CD2 4.1Å; L89-L142 HydrophobicContact CD2-CD2 3.8Å; L89-L142 HydrophobicContact CG-CD2 3.78Å; S90-L142 WeakPolarHBondContact CA-O 3.46Å; S90-L142 WeakPolarHBondContact CB-O 3.36Å; S90-L142 PolarHBondContact OG-O 2.88Å; F104-L142 HydrophobicContact CD1-CB 4.23Å; F104-L142 HydrophobicContact CD1-CD1 3.96Å; F104-L142 HydrophobicContact CD2-CB 4.01Å; F104-L142 HydrophobicContact CE1-CB 4.13Å; F104-L142 HydrophobicContact CE1-CD1 4.18Å; F104-L142 HydrophobicContact CE2-CB 3.91Å; F104-L142 HydrophobicContact CG-CB 4.17Å; F104-L142 HydrophobicContact CG-CD1 4.42Å; F104-L142 HydrophobicContact CZ-CB 3.95Å; V138-L142 HydrophobicContact CG1-CD1 3.91Å; V138-L142 HydrophobicContact CG1-CG 4.43Å; V138-L142 PolarHBondContact O-N 3.27Å; V139-L142 PolarHBondContact O-N 3.21Å; L142-R144 VanDerWaalsContact C-N 3.26Å; L142-R144 PolarHBondContact O-N 2.89Å; L142-Y146 VanDerWaalsContact O-CE2 3.25Å; L142-Y146 WeakPolarHBondContact O-CE2 3.46Å
143G97Very high96.7Very high26 Ų2654.9 Ų54.927%0.26829%0.288SS..THydrogen-bonded Turntrans-78.40.8175.200000114.9V139 S141V139-G143 PolarHBondContact O-N 2.78Å; S141-G143 VanDerWaalsContact C-N 3.34Å
144R94.4Very high96.5Very high148 Ų14854.4 Ų54.456%0.55829%0.29SS*.THydrogen-bonded Turntrans-77-32-165.4-171.760.4-175126.5-3.3115.1S90 S141 L142 Y146S90-R144 PolarHBondContact OG-N 3.23Å; S141-R144 VanDerWaalsContact O-CB 3.31Å; S141-R144 WeakPolarHBondContact O-CB 3.46Å; S141-R144 PolarHBondContact O-N 3.31Å; L142-R144 VanDerWaalsContact C-N 3.26Å; L142-R144 PolarHBondContact O-N 2.89Å; R144-Y146 VanDerWaalsContact C-N 3.3Å
145Q94.8Very high96.4Very high69 Ų6958.6 Ų58.632%0.32231%0.312SS..THydrogen-bonded Turntrans-97.226.8-178.7-49.4-61-26.700112S90 V91 S94S90-Q145 VanDerWaalsContact OG-CB 3.28Å; S90-Q145 WeakPolarHBondContact OG-CB 3.46Å; S90-Q145 WeakPolarHBondContact OG-CG 3.39Å; S90-Q145 PolarHBondContact OG-N 3.47Å; V91-Q145 HydrophobicContact CG2-CB 3.91Å; V91-Q145 HydrophobicContact CG2-CG 3.89Å; S94-Q145 WeakPolarHBondContact CB-O 3.33Å; S94-Q145 PolarHBondContact OG-O 2.69Å
146Y95.4Very high96.2Very high50 Ų5062.9 Ų62.920%0.19634%0.335CS..  trans-90.1142.8172.7-79.1-103.8000109.7H93 V99 P101 F104 L142 R144H93-Y146 WeakPolarHBondContact CB-OH 3.3Å; H93-Y146 PolarHBondContact O-OH 3.47Å; V99-Y146 WeakPolarHBondContact O-CE1 3.32Å; V99-Y146 VanDerWaalsContact O-CZ 3.27Å; V99-Y146 PolarHBondContact O-OH 3.41Å; P101-Y146 HydrophobicContact CB-CD1 3.92Å; P101-Y146 HydrophobicContact CB-CD2 4.45Å; P101-Y146 HydrophobicContact CB-CE1 3.92Å; P101-Y146 HydrophobicContact CB-CE2 4.44Å; P101-Y146 HydrophobicContact CB-CG 4.18Å; P101-Y146 HydrophobicContact CG-CD1 3.78Å; P101-Y146 HydrophobicContact CG-CE1 4.04Å; P101-Y146 HydrophobicContact CG-CG 4.32Å; F104-Y146 AromaticContact CE2-CE2 3.58Å; F104-Y146 HydrophobicContact CE2-CE2 3.58Å; F104-Y146 AromaticContact CE2-CZ 3.67Å; F104-Y146 WeakPolarHBondContact CE2-OH 3.38Å; F104-Y146 AromaticContact CZ-CE2 3.93Å; F104-Y146 HydrophobicContact CZ-CE2 3.93Å; F104-Y146 AromaticContact CZ-CZ 3.88Å; F104-Y146 WeakPolarHBondContact CZ-OH 3.43Å; L142-Y146 VanDerWaalsContact O-CE2 3.25Å; L142-Y146 WeakPolarHBondContact O-CE2 3.46Å; R144-Y146 VanDerWaalsContact C-N 3.3Å
147H83.9Confident95.9Very high228 Ų22863.2 Ų63.2100%1.05632%0.32SS*.  trans-110.20-179.2-61.7-53.9000111.7

Retrieved 147 of 147 residues in 465.8 ms (Link to these results)

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