A0A077ZKC0_TRITR Loading...

Alpha-1,3-glucosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZKC0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 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
1M44.2Very low58.9Low235 Ų235118.3 Ų118.3100%1.15865%0.654SS**  0123.30-78.4176.4171.700107.4S3M1-S3 PolarHBondContact O-N 3.16Å
2P55.7Low60.2Low131 Ų131115 Ų11585%0.85164%0.635SS**  trans-71.4120.5178.129-27.9000108.1R4P2-R4 PolarHBondContact O-N 3.22Å; P2-R4 VanDerWaalsContact O-N 3.15Å
3S59.9Low61.2Low113 Ų113110.1 Ų110.179%0.7961%0.61SS**  trans-61.7114.8171.5560000107.9M1 S5M1-S3 PolarHBondContact O-N 3.16Å; S3-S5 PolarHBondContact O-N 3.48Å
4R61.4Low62.4Low166 Ų166112.5 Ų112.563%0.62661%0.611SS**  trans-53131.7169.2-74.4-176.9177.6-172.9-1.6107.8P2 V9 D12P2-R4 PolarHBondContact O-N 3.22Å; P2-R4 VanDerWaalsContact O-N 3.15Å; R4-V9 HydrophobicContact CB-CG2 3.79Å; R4-D12 IonicContact NH1-OD2 2.77Å; R4-D12 PolarHBondContact NH1-OD2 3.37Å
5S71.4Confident64.2Low58 Ų58107.3 Ų107.341%0.40660%0.595SS.*  trans-61148176.565.70000109.4S3 D7 Q8 V9S3-S5 PolarHBondContact O-N 3.48Å; S5-D7 PolarHBondContact O-N 2.91Å; S5-D7 VanDerWaalsContact O-N 3.16Å; S5-Q8 WeakPolarHBondContact O-CB 3.47Å; S5-Q8 PolarHBondContact O-N 3.17Å; S5-Q8 WeakPolarHBondContact OG-CG 3.49Å; S5-Q8 PolarHBondContact OG-N 3.12Å; S5-V9 PolarHBondContact O-N 2.98Å; S5-V9 VanDerWaalsContact O-N 3.17Å
6V61.8Low65.9Low113 Ų113105.1 Ų105.169%0.68558%0.584SS**Hα-helixtrans-53.2-38.5-179.2176.50000110.9Q8 V9 V10V6-Q8 PolarHBondContact O-N 3.29Å; V6-V9 PolarHBondContact O-N 3.3Å; V6-V10 HydrophobicContact CG1-CG2 4.27Å; V6-V10 VanDerWaalsContact O-CG2 3.32Å; V6-V10 WeakPolarHBondContact O-CG2 3.44Å; V6-V10 PolarHBondContact O-N 3.39Å
7D57.6Low67.6Low123 Ų12399.9 Ų99.966%0.65856%0.555SS**Hα-helixtrans-63.3-41.1177.1-60.9-38.1000112.9S5 V9 V10 V11S5-D7 PolarHBondContact O-N 2.91Å; S5-D7 VanDerWaalsContact O-N 3.16Å; D7-V9 VanDerWaalsContact C-N 3.31Å; D7-V9 PolarHBondContact O-N 3.24Å; D7-V10 PolarHBondContact O-N 3.39Å; D7-V11 WeakPolarHBondContact O-CB 3.26Å; D7-V11 VanDerWaalsContact O-CG2 3.26Å; D7-V11 WeakPolarHBondContact O-CG2 3.44Å; D7-V11 PolarHBondContact O-N 2.93Å
8Q57.6Low69.1Low121 Ų121101.6 Ų101.657%0.56556%0.555SS**Hα-helixtrans-63.6-39175.5-79.8-179-1800111.6S5 V6 D12S5-Q8 WeakPolarHBondContact O-CB 3.47Å; S5-Q8 PolarHBondContact O-N 3.17Å; S5-Q8 WeakPolarHBondContact OG-CG 3.49Å; S5-Q8 PolarHBondContact OG-N 3.12Å; V6-Q8 PolarHBondContact O-N 3.29Å; Q8-D12 VanDerWaalsContact O-CB 3.24Å; Q8-D12 WeakPolarHBondContact O-CB 3.48Å; Q8-D12 PolarHBondContact O-N 3.29Å
9V60.6Low70.5Confident65 Ų65100.5 Ų100.539%0.39455%0.552SS.*Hα-helixtrans-68.9-41.4178179.80000111.1R4 S5 V6 D7 D12 V13R4-V9 HydrophobicContact CB-CG2 3.79Å; S5-V9 PolarHBondContact O-N 2.98Å; S5-V9 VanDerWaalsContact O-N 3.17Å; V6-V9 PolarHBondContact O-N 3.3Å; D7-V9 VanDerWaalsContact C-N 3.31Å; D7-V9 PolarHBondContact O-N 3.24Å; V9-D12 PolarHBondContact O-N 3.11Å; V9-V13 HydrophobicContact CG1-CG2 4.43Å; V9-V13 WeakPolarHBondContact O-CB 3.32Å; V9-V13 WeakPolarHBondContact O-CG2 3.15Å; V9-V13 PolarHBondContact O-N 3.1Å; V9-V13 VanDerWaalsContact O-N 3.09Å
10V57.9Low71.8Confident72 Ų7295.8 Ų95.844%0.43653%0.527SS..Hα-helixtrans-67.7-40.5179.5172.50000111.8V6 D7 V13 K14V6-V10 HydrophobicContact CG1-CG2 4.27Å; V6-V10 VanDerWaalsContact O-CG2 3.32Å; V6-V10 WeakPolarHBondContact O-CG2 3.44Å; V6-V10 PolarHBondContact O-N 3.39Å; D7-V10 PolarHBondContact O-N 3.39Å; V10-V13 PolarHBondContact O-N 3.21Å; V10-K14 PolarHBondContact O-N 3.47Å
11V60.2Low73.1Confident104 Ų10492.1 Ų92.163%0.6351%0.507SS*.Hα-helixtrans-64.9-44.1175.8171.50000111.1D7 V13 K14 G15D7-V11 WeakPolarHBondContact O-CB 3.26Å; D7-V11 VanDerWaalsContact O-CG2 3.26Å; D7-V11 WeakPolarHBondContact O-CG2 3.44Å; D7-V11 PolarHBondContact O-N 2.93Å; V11-V13 VanDerWaalsContact C-N 3.32Å; V11-V13 PolarHBondContact O-N 3.09Å; V11-K14 PolarHBondContact O-N 3.44Å; V11-G15 PolarHBondContact O-N 3.48Å; V11-G15 VanDerWaalsContact O-N 3.09Å
12D74.1Confident75.6Confident79 Ų7984.9 Ų84.942%0.42247%0.473SS..Hα-helixtrans-56.8-47.1177.2-167.916.2000110.6R4 Q8 V9 K14 G15 V16R4-D12 IonicContact NH1-OD2 2.77Å; R4-D12 PolarHBondContact NH1-OD2 3.37Å; Q8-D12 VanDerWaalsContact O-CB 3.24Å; Q8-D12 WeakPolarHBondContact O-CB 3.48Å; Q8-D12 PolarHBondContact O-N 3.29Å; V9-D12 PolarHBondContact O-N 3.11Å; D12-K14 PolarHBondContact O-N 3.07Å; D12-G15 WeakPolarHBondContact O-CA 3.24Å; D12-G15 PolarHBondContact O-N 2.75Å; D12-G15 VanDerWaalsContact O-N 3.14Å; D12-V16 WeakPolarHBondContact O-CG2 3.49Å; D12-V16 PolarHBondContact O-N 3.48Å
13V73Confident77.6Confident51 Ų5181.6 Ų81.631%0.30945%0.45SS..Hα-helixtrans-68-38.1-175.4171.10000113.6V9 V10 V11 G15 V16 F17 M151V9-V13 HydrophobicContact CG1-CG2 4.43Å; V9-V13 WeakPolarHBondContact O-CB 3.32Å; V9-V13 WeakPolarHBondContact O-CG2 3.15Å; V9-V13 PolarHBondContact O-N 3.1Å; V9-V13 VanDerWaalsContact O-N 3.09Å; V10-V13 PolarHBondContact O-N 3.21Å; V11-V13 VanDerWaalsContact C-N 3.32Å; V11-V13 PolarHBondContact O-N 3.09Å; V13-G15 VanDerWaalsContact C-N 3.34Å; V13-V16 PolarHBondContact O-N 3.47Å; V13-F17 PolarHBondContact O-N 2.96Å; V13-M151 HydrophobicContact CG1-CB 3.13Å; V13-M151 HydrophobicContact CG1-CE 4.21Å; V13-M151 HydrophobicContact CG1-CG 3.28Å
14K78.5Confident79.4Confident144 Ų14476.2 Ų76.263%0.62641%0.413SS*.Hα-helixtrans-66.3-38.5171.8-73-177.9178.8-179.40111.5V10 V11 D12 V16 F17 F18V10-K14 PolarHBondContact O-N 3.47Å; V11-K14 PolarHBondContact O-N 3.44Å; D12-K14 PolarHBondContact O-N 3.07Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-V16 PolarHBondContact O-N 3.48Å; K14-F17 PolarHBondContact O-N 3.15Å; K14-F18 PolarHBondContact O-N 3.02Å
15G88.7Confident81.2Confident35 Ų3570 Ų7036%0.36139%0.392SS..Hα-helixtrans-58.6-43.9173.800000112.1V11 D12 V13 F17 F18 V19V11-G15 PolarHBondContact O-N 3.48Å; V11-G15 VanDerWaalsContact O-N 3.09Å; D12-G15 WeakPolarHBondContact O-CA 3.24Å; D12-G15 PolarHBondContact O-N 2.75Å; D12-G15 VanDerWaalsContact O-N 3.14Å; V13-G15 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 2.85Å; G15-F18 PolarHBondContact O-N 2.92Å; G15-V19 WeakPolarHBondContact O-CG2 3.31Å; G15-V19 PolarHBondContact O-N 3.4Å
16V91.4Very high82.4Confident71 Ų7169.2 Ų69.243%0.4339%0.388SS..Hα-helixtrans-63.2-40.8177.2-177.90000111.9D12 V13 K14 F18 V19 A20 I155D12-V16 WeakPolarHBondContact O-CG2 3.49Å; D12-V16 PolarHBondContact O-N 3.48Å; V13-V16 PolarHBondContact O-N 3.47Å; K14-V16 VanDerWaalsContact C-N 3.33Å; K14-V16 PolarHBondContact O-N 3.48Å; V16-F18 PolarHBondContact O-N 3.46Å; V16-V19 PolarHBondContact O-N 2.9Å; V16-A20 PolarHBondContact O-N 3.14Å; V16-I155 HydrophobicContact CB-CD1 4.15Å; V16-I155 HydrophobicContact CG1-CD1 3.62Å
17F94.6Very high84.2Confident18 Ų1867 Ų678%0.07937%0.372CS..Hα-helixtrans-63.3-42.7176.1-169.8-83.8000111.6V13 K14 G15 V19 A20 V21 I139 V142 L143 M151 K154 I155 Y158V13-F17 PolarHBondContact O-N 2.96Å; K14-F17 PolarHBondContact O-N 3.15Å; G15-F17 PolarHBondContact O-N 2.85Å; F17-V19 VanDerWaalsContact C-N 3.31Å; F17-V19 PolarHBondContact O-N 3.44Å; F17-A20 WeakPolarHBondContact O-CB 3.2Å; F17-A20 PolarHBondContact O-N 2.96Å; F17-A20 VanDerWaalsContact O-N 3.08Å; F17-V21 HydrophobicContact CD1-CG2 4.08Å; F17-V21 HydrophobicContact CE1-CG2 3.78Å; F17-V21 PolarHBondContact O-N 3.08Å; F17-V21 VanDerWaalsContact O-N 3.09Å; F17-I139 HydrophobicContact CE1-CG1 4.14Å; F17-I139 HydrophobicContact CE1-CG2 3.87Å; F17-I139 HydrophobicContact CZ-CG1 4.36Å; F17-I139 HydrophobicContact CZ-CG2 4.18Å; F17-V142 HydrophobicContact CE2-CG2 3.8Å; F17-V142 HydrophobicContact CZ-CG2 3.75Å; F17-L143 HydrophobicContact CE2-CD2 4.31Å; F17-L143 HydrophobicContact CZ-CD2 4.38Å; F17-L143 HydrophobicContact CZ-CG 4.47Å; F17-M151 HydrophobicContact CB-SD 4.23Å; F17-M151 HydrophobicContact CD2-SD 3.82Å; F17-M151 HydrophobicContact CG-SD 4.29Å; F17-K154 HydrophobicContact CE2-CB 4.47Å; F17-I155 HydrophobicContact CB-CD1 4.46Å; F17-I155 HydrophobicContact CB-CG1 4.17Å; F17-I155 HydrophobicContact CD2-CG1 3.6Å; F17-I155 HydrophobicContact CE2-CG1 4.44Å; F17-I155 HydrophobicContact CG-CG1 4.31Å; F17-Y158 HydrophobicContact CE2-CG 4.41Å; F17-Y158 HydrophobicContact CZ-CD2 4.21Å; F17-Y158 HydrophobicContact CZ-CG 4.13Å
18F95.2Very high86.1Confident130 Ų13061.2 Ų61.257%0.5734%0.341SS*.Hα-helixtrans-60-41.7175-179.2-109.1000112.1K14 G15 V16 A20 V21 L22K14-F18 PolarHBondContact O-N 3.02Å; G15-F18 PolarHBondContact O-N 2.92Å; V16-F18 PolarHBondContact O-N 3.46Å; F18-A20 VanDerWaalsContact C-N 3.3Å; F18-A20 PolarHBondContact O-N 3.05Å; F18-V21 WeakPolarHBondContact O-CB 3.24Å; F18-V21 PolarHBondContact O-N 2.78Å; F18-L22 HydrophobicContact CD1-CD1 3.98Å; F18-L22 HydrophobicContact CD1-CG 4.38Å; F18-L22 HydrophobicContact CE1-CD1 3.49Å; F18-L22 VanDerWaalsContact CE1-CD1 3.49Å; F18-L22 HydrophobicContact CE1-CD2 4.43Å; F18-L22 HydrophobicContact CE1-CG 4.02Å; F18-L22 HydrophobicContact CE2-CD2 4.46Å; F18-L22 HydrophobicContact CZ-CD1 3.96Å; F18-L22 HydrophobicContact CZ-CD2 4.04Å; F18-L22 HydrophobicContact CZ-CG 4.09Å; F18-L22 WeakPolarHBondContact O-CG 3.48Å; F18-L22 PolarHBondContact O-N 3.49Å
19V96Very high88Confident80 Ų8058 Ų5849%0.48533%0.331SS..Hα-helixtrans-59.9-40173.2172.10000111.4G15 V16 F17 V21 L22 V23G15-V19 WeakPolarHBondContact O-CG2 3.31Å; G15-V19 PolarHBondContact O-N 3.4Å; V16-V19 PolarHBondContact O-N 2.9Å; F17-V19 VanDerWaalsContact C-N 3.31Å; F17-V19 PolarHBondContact O-N 3.44Å; V19-V21 VanDerWaalsContact C-N 3.33Å; V19-V21 PolarHBondContact O-N 3.03Å; V19-L22 PolarHBondContact O-N 2.94Å; V19-V23 HydrophobicContact CG1-CG2 4.23Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.49Å; V19-V23 PolarHBondContact O-N 3.38Å
20A97Very high89.8Confident6 Ų662 Ų625%0.0534%0.344CS..Hα-helixtrans-62-39176.700000112.7V16 F17 F18 V23 S24 I155 Y158 L159V16-A20 PolarHBondContact O-N 3.14Å; F17-A20 WeakPolarHBondContact O-CB 3.2Å; F17-A20 PolarHBondContact O-N 2.96Å; F17-A20 VanDerWaalsContact O-N 3.08Å; F18-A20 VanDerWaalsContact C-N 3.3Å; F18-A20 PolarHBondContact O-N 3.05Å; A20-V23 PolarHBondContact O-N 3.01Å; A20-S24 PolarHBondContact O-N 2.75Å; A20-S24 VanDerWaalsContact O-N 3.12Å; A20-S24 PolarHBondContact O-OG 2.81Å; A20-S24 VanDerWaalsContact O-OG 3.08Å; A20-I155 HydrophobicContact CB-CG2 3.84Å; A20-Y158 HydrophobicContact CB-CD1 4.34Å; A20-L159 HydrophobicContact CB-CD1 4.36Å; A20-L159 HydrophobicContact CB-CD2 3.99Å; A20-L159 HydrophobicContact CB-CG 4.23Å
21V97.7Very high91.7Very high19 Ų1959.4 Ų59.412%0.11533%0.329CS..Hα-helixtrans-61.8-48.6173177.20000110.6F17 F18 V19 V23 S24 I25 I139 Y158F17-V21 HydrophobicContact CD1-CG2 4.08Å; F17-V21 HydrophobicContact CE1-CG2 3.78Å; F17-V21 PolarHBondContact O-N 3.08Å; F17-V21 VanDerWaalsContact O-N 3.09Å; F18-V21 WeakPolarHBondContact O-CB 3.24Å; F18-V21 PolarHBondContact O-N 2.78Å; V19-V21 VanDerWaalsContact C-N 3.33Å; V19-V21 PolarHBondContact O-N 3.03Å; V21-V23 VanDerWaalsContact C-N 3.33Å; V21-V23 PolarHBondContact O-N 3.32Å; V21-S24 WeakPolarHBondContact O-CB 3.13Å; V21-S24 PolarHBondContact O-N 3.26Å; V21-S24 VanDerWaalsContact O-N 3.15Å; V21-I25 HydrophobicContact CG1-CD1 4.14Å; V21-I25 PolarHBondContact O-N 2.85Å; V21-I25 VanDerWaalsContact O-N 3.13Å; V21-I139 HydrophobicContact CG1-CD1 4.25Å; V21-I139 HydrophobicContact CG2-CD1 3.84Å; V21-I139 HydrophobicContact CG2-CG1 4.18Å; V21-Y158 HydrophobicContact CB-CE1 4.43Å; V21-Y158 HydrophobicContact CG2-CE1 3.96Å; V21-Y158 HydrophobicContact CG2-CE2 4.45Å
22L97.6Very high93.5Very high83 Ų8355 Ų5544%0.43530%0.303SS..Hα-helixtrans-62-38.7178.3-66.3-177.5000112.9F18 V19 S24 I25 A26F18-L22 HydrophobicContact CD1-CD1 3.98Å; F18-L22 HydrophobicContact CD1-CG 4.38Å; F18-L22 HydrophobicContact CE1-CD1 3.49Å; F18-L22 VanDerWaalsContact CE1-CD1 3.49Å; F18-L22 HydrophobicContact CE1-CD2 4.43Å; F18-L22 HydrophobicContact CE1-CG 4.02Å; F18-L22 HydrophobicContact CE2-CD2 4.46Å; F18-L22 HydrophobicContact CZ-CD1 3.96Å; F18-L22 HydrophobicContact CZ-CD2 4.04Å; F18-L22 HydrophobicContact CZ-CG 4.09Å; F18-L22 WeakPolarHBondContact O-CG 3.48Å; F18-L22 PolarHBondContact O-N 3.49Å; V19-L22 PolarHBondContact O-N 2.94Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.2Å; L22-I25 PolarHBondContact O-N 3.16Å; L22-A26 VanDerWaalsContact O-CB 3.3Å; L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 2.82Å
23V97.6Very high94.6Very high63 Ų6357.4 Ų57.438%0.38232%0.315SS..Hα-helixtrans-61.7-40.6175.5167.20000110.9V19 A20 V21 A26 I27V19-V23 HydrophobicContact CG1-CG2 4.23Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.49Å; V19-V23 PolarHBondContact O-N 3.38Å; A20-V23 PolarHBondContact O-N 3.01Å; V21-V23 VanDerWaalsContact C-N 3.33Å; V21-V23 PolarHBondContact O-N 3.32Å; V23-A26 PolarHBondContact O-N 3.22Å; V23-I27 HydrophobicContact CG1-CD1 3.8Å; V23-I27 VanDerWaalsContact O-CG1 3.32Å; V23-I27 WeakPolarHBondContact O-CG1 3.36Å; V23-I27 PolarHBondContact O-N 3.36Å
24S97.9Very high95.7Very high0 Ų057.1 Ų57.10%032%0.315CS..Hα-helixtrans-61.8-50.2176.7-56.50000111.6A20 V21 L22 A26 I27 Q28 Y158 T162A20-S24 PolarHBondContact O-N 2.75Å; A20-S24 VanDerWaalsContact O-N 3.12Å; A20-S24 PolarHBondContact O-OG 2.81Å; A20-S24 VanDerWaalsContact O-OG 3.08Å; V21-S24 WeakPolarHBondContact O-CB 3.13Å; V21-S24 PolarHBondContact O-N 3.26Å; V21-S24 VanDerWaalsContact O-N 3.15Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.2Å; S24-A26 VanDerWaalsContact C-N 3.34Å; S24-A26 PolarHBondContact O-N 3.27Å; S24-I27 PolarHBondContact O-N 3.48Å; S24-Q28 VanDerWaalsContact O-CG 3.26Å; S24-Q28 WeakPolarHBondContact O-CG 3.23Å; S24-Q28 PolarHBondContact O-N 3.04Å; S24-Q28 VanDerWaalsContact O-N 3.07Å; S24-Y158 WeakPolarHBondContact OG-CE1 3.26Å; S24-T162 PolarHBondContact OG-OG1 2.95Å
25I98.2Very high96.6Very high36 Ų3654.3 Ų54.319%0.18531%0.312CS..Hα-helixtrans-60.6-43.9177.8-64.8169.5000110.9V21 L22 I27 Q28 C29 L127 M131 L135V21-I25 HydrophobicContact CG1-CD1 4.14Å; V21-I25 PolarHBondContact O-N 2.85Å; V21-I25 VanDerWaalsContact O-N 3.13Å; L22-I25 PolarHBondContact O-N 3.16Å; I25-I27 PolarHBondContact O-N 3.21Å; I25-Q28 PolarHBondContact O-N 3.27Å; I25-C29 WeakPolarHBondContact O-CB 3.44Å; I25-C29 PolarHBondContact O-N 2.82Å; I25-C29 PolarHBondContact O-SG 3.11Å; I25-L127 HydrophobicContact CG2-CD1 4.48Å; I25-M131 HydrophobicContact CD1-CE 4.43Å; I25-L135 HydrophobicContact CD1-CD1 4.31Å; I25-L135 HydrophobicContact CG1-CD1 3.75Å
26A98.2Very high97.1Very high40 Ų4053.4 Ų53.433%0.33130%0.298SS..Hα-helixtrans-60.3-45.917900000111.8L22 V23 S24 Q28 C29 F30L22-A26 VanDerWaalsContact O-CB 3.3Å; L22-A26 WeakPolarHBondContact O-CB 3.38Å; L22-A26 PolarHBondContact O-N 2.82Å; V23-A26 PolarHBondContact O-N 3.22Å; S24-A26 VanDerWaalsContact C-N 3.34Å; S24-A26 PolarHBondContact O-N 3.27Å; A26-Q28 PolarHBondContact O-N 3.48Å; A26-C29 WeakPolarHBondContact O-CB 3.36Å; A26-C29 PolarHBondContact O-N 3.46Å; A26-F30 WeakPolarHBondContact O-CD2 3.31Å; A26-F30 PolarHBondContact O-N 3.45Å
27I98.1Very high97.4Very high68 Ų6851.2 Ų51.235%0.34929%0.286SS..Hα-helixtrans-62.2-43.3178.6-70.9168.6000111V23 S24 I25 F30 A31 L163 I168V23-I27 HydrophobicContact CG1-CD1 3.8Å; V23-I27 VanDerWaalsContact O-CG1 3.32Å; V23-I27 WeakPolarHBondContact O-CG1 3.36Å; V23-I27 PolarHBondContact O-N 3.36Å; S24-I27 PolarHBondContact O-N 3.48Å; I25-I27 PolarHBondContact O-N 3.21Å; I27-F30 PolarHBondContact O-N 3.06Å; I27-A31 WeakPolarHBondContact O-CB 3.3Å; I27-A31 PolarHBondContact O-N 3.28Å; I27-L163 HydrophobicContact CB-CD2 4.32Å; I27-L163 HydrophobicContact CD1-CD1 3.98Å; I27-L163 HydrophobicContact CD1-CD2 3.68Å; I27-L163 HydrophobicContact CG2-CD2 4.4Å; I27-I168 HydrophobicContact CG2-CD1 3.82Å
28Q98.3Very high97.5Very high0 Ų050.8 Ų50.80%029%0.287CS..Hα-helixtrans-62.5-41.8176.1-68.2165.5-16.500112.4S24 I25 A26 A31 S32 L127 D130 F172S24-Q28 VanDerWaalsContact O-CG 3.26Å; S24-Q28 WeakPolarHBondContact O-CG 3.23Å; S24-Q28 PolarHBondContact O-N 3.04Å; S24-Q28 VanDerWaalsContact O-N 3.07Å; I25-Q28 PolarHBondContact O-N 3.27Å; A26-Q28 PolarHBondContact O-N 3.48Å; Q28-A31 PolarHBondContact O-N 3.14Å; Q28-S32 WeakPolarHBondContact O-CB 3.05Å; Q28-S32 PolarHBondContact O-N 3.09Å; Q28-S32 PolarHBondContact O-OG 3.28Å; Q28-L127 HydrophobicContact CB-CD1 4.32Å; Q28-D130 VanDerWaalsContact CD-OD2 3.25Å; Q28-D130 PolarHBondContact NE2-OD2 3.47Å; Q28-D130 PolarHBondContact OE1-OD2 2.86Å; Q28-F172 HydrophobicContact CB-CD1 3.76Å; Q28-F172 HydrophobicContact CB-CD2 4.24Å; Q28-F172 HydrophobicContact CB-CE1 3.67Å; Q28-F172 HydrophobicContact CB-CE2 4.16Å; Q28-F172 HydrophobicContact CB-CG 4.03Å; Q28-F172 HydrophobicContact CB-CZ 3.87Å; Q28-F172 HydrophobicContact CG-CD1 4.32Å; Q28-F172 HydrophobicContact CG-CD2 4Å; Q28-F172 HydrophobicContact CG-CE1 3.99Å; Q28-F172 HydrophobicContact CG-CE2 3.64Å; Q28-F172 HydrophobicContact CG-CG 4.3Å; Q28-F172 HydrophobicContact CG-CZ 3.62Å
29C98.1Very high97.7Very high53 Ų5347.1 Ų47.136%0.35827%0.271SS..Hα-helixtrans-61.6-44.2173.7-73.90000111.9I25 A26 S32 L127I25-C29 WeakPolarHBondContact O-CB 3.44Å; I25-C29 PolarHBondContact O-N 2.82Å; I25-C29 PolarHBondContact O-SG 3.11Å; A26-C29 WeakPolarHBondContact O-CB 3.36Å; A26-C29 PolarHBondContact O-N 3.46Å; C29-S32 WeakPolarHBondContact O-CB 3.25Å; C29-S32 PolarHBondContact O-N 3.4Å; C29-L127 VanDerWaalsContact SG-CD2 3.58Å
30F98.1Very high97.7Very high151 Ų15149.1 Ų49.166%0.66228%0.279SS*.Hα-helixtrans-64.2-42.7176.3-79.6-64000112A26 I27 S32 L33A26-F30 WeakPolarHBondContact O-CD2 3.31Å; A26-F30 PolarHBondContact O-N 3.45Å; I27-F30 PolarHBondContact O-N 3.06Å; F30-S32 PolarHBondContact O-N 3.22Å; F30-L33 HydrophobicContact CD1-CD1 4.13Å; F30-L33 WeakPolarHBondContact O-CB 3.32Å; F30-L33 PolarHBondContact O-N 3.47Å
31A98Very high97.7Very high16 Ų1655.6 Ų55.613%0.13231%0.306CS..Hα-helixtrans-60-35.4175.100000112I27 Q28 L33 S34 I168 F172 V173I27-A31 WeakPolarHBondContact O-CB 3.3Å; I27-A31 PolarHBondContact O-N 3.28Å; Q28-A31 PolarHBondContact O-N 3.14Å; A31-L33 PolarHBondContact O-N 2.94Å; A31-L33 VanDerWaalsContact O-N 3.16Å; A31-S34 WeakPolarHBondContact O-CB 3.39Å; A31-S34 PolarHBondContact O-N 3.22Å; A31-S34 VanDerWaalsContact O-N 3.15Å; A31-S34 PolarHBondContact O-OG 3.4Å; A31-I168 HydrophobicContact CB-CG2 3.6Å; A31-F172 HydrophobicContact CB-CB 3.95Å; A31-V173 HydrophobicContact CB-CG2 3.92Å
32S97.4Very high97.6Very high13 Ų1359.3 Ų59.39%0.09133%0.331CS..THydrogen-bonded Turntrans-65.5-15.5178.8-62.60000115.1Q28 C29 F30 S34 R123 F172Q28-S32 WeakPolarHBondContact O-CB 3.05Å; Q28-S32 PolarHBondContact O-N 3.09Å; Q28-S32 PolarHBondContact O-OG 3.28Å; C29-S32 WeakPolarHBondContact O-CB 3.25Å; C29-S32 PolarHBondContact O-N 3.4Å; F30-S32 PolarHBondContact O-N 3.22Å; S32-S34 PolarHBondContact O-N 2.99Å; S32-R123 PolarHBondContact O-NE 3.42Å; S32-F172 VanDerWaalsContact CA-O 3.27Å; S32-F172 WeakPolarHBondContact CA-O 3.5Å
33L97.1Very high97.4Very high129 Ų12960.4 Ų60.468%0.67534%0.343SS*.THydrogen-bonded Turntrans-73.6-17.4175.8-58.2178.4000112.8F30 A31F30-L33 HydrophobicContact CD1-CD1 4.13Å; F30-L33 WeakPolarHBondContact O-CB 3.32Å; F30-L33 PolarHBondContact O-N 3.47Å; A31-L33 PolarHBondContact O-N 2.94Å; A31-L33 VanDerWaalsContact O-N 3.16Å
34S96.3Very high97.2Very high44 Ų4461 Ų6131%0.30834%0.342SS..SBendtrans-66.5159.5-179.2-630000113.2A31 S32 K119 R123A31-S34 WeakPolarHBondContact O-CB 3.39Å; A31-S34 PolarHBondContact O-N 3.22Å; A31-S34 VanDerWaalsContact O-N 3.15Å; A31-S34 PolarHBondContact O-OG 3.4Å; S32-S34 PolarHBondContact O-N 2.99Å; S34-K119 WeakPolarHBondContact O-CE 3.44Å; S34-K119 PolarHBondContact O-NZ 3.16Å; S34-R123 PolarHBondContact O-NH2 3.23Å
35P97.5Very high97.2Very high86 Ų8662.8 Ų62.856%0.55835%0.35SS*.PPolyproline II helixtrans-50.4139.7163.3-2938.2000111.9E39P35-E39 WeakPolarHBondContact CA-OE2 3.48Å; P35-E39 WeakPolarHBondContact CB-OE2 3.48Å
36Y98Very high97.1Very high15 Ų1561.3 Ų61.36%0.05934%0.344CS..PPolyproline II helixtrans-90.9167.1174.749.8-99000111.5G38 E39 Y48 E114 K119Y36-G38 PolarHBondContact O-N 3.45Å; Y36-G38 VanDerWaalsContact O-N 3.07Å; Y36-E39 HydrophobicContact CD1-CB 4.46Å; Y36-E39 HydrophobicContact CD2-CB 3.8Å; Y36-E39 HydrophobicContact CE1-CB 4.24Å; Y36-E39 HydrophobicContact CE1-CG 3.94Å; Y36-E39 VanDerWaalsContact CE1-OE1 3.26Å; Y36-E39 WeakPolarHBondContact CE1-OE1 3.31Å; Y36-E39 HydrophobicContact CE2-CB 3.58Å; Y36-E39 HydrophobicContact CE2-CG 3.98Å; Y36-E39 HydrophobicContact CG-CB 4.25Å; Y36-E39 PolarHBondContact O-N 3.37Å; Y36-Y48 AromaticContact CD1-CD2 3.9Å; Y36-Y48 HydrophobicContact CD1-CD2 3.9Å; Y36-Y48 HydrophobicContact CD1-CE2 4.09Å; Y36-Y48 HydrophobicContact CD1-CG 4.24Å; Y36-Y48 AromaticContact CD2-CD1 3.92Å; Y36-Y48 HydrophobicContact CD2-CD1 3.92Å; Y36-Y48 AromaticContact CD2-CD2 3.9Å; Y36-Y48 HydrophobicContact CD2-CD2 3.9Å; Y36-Y48 AromaticContact CD2-CG 3.45Å; Y36-Y48 HydrophobicContact CD2-CG 3.45Å; Y36-Y48 VanDerWaalsContact CD2-CG 3.45Å; Y36-Y48 HydrophobicContact CE1-CD2 4.38Å; Y36-Y48 HydrophobicContact CE1-CE2 4.31Å; Y36-Y48 AromaticContact CE2-CD1 3.68Å; Y36-Y48 HydrophobicContact CE2-CD1 3.68Å; Y36-Y48 HydrophobicContact CE2-CD2 4.35Å; Y36-Y48 HydrophobicContact CE2-CE1 4.27Å; Y36-Y48 AromaticContact CE2-CG 3.73Å; Y36-Y48 HydrophobicContact CE2-CG 3.73Å; Y36-Y48 HydrophobicContact CG-CD1 4.43Å; Y36-Y48 AromaticContact CG-CD2 3.64Å; Y36-Y48 HydrophobicContact CG-CD2 3.64Å; Y36-Y48 HydrophobicContact CG-CE2 4.3Å; Y36-Y48 AromaticContact CG-CG 3.72Å; Y36-Y48 HydrophobicContact CG-CG 3.72Å; Y36-E114 PolarHBondContact OH-OE1 3.36Å; Y36-E114 VanDerWaalsContact OH-OE1 3.07Å; Y36-K119 HydrophobicContact CD1-CD 4.01Å; Y36-K119 HydrophobicContact CD1-CG 4.04Å; Y36-K119 HydrophobicContact CE1-CB 4.35Å; Y36-K119 HydrophobicContact CE1-CD 3.82Å; Y36-K119 HydrophobicContact CE1-CG 3.94Å
37S98.2Very high97.1Very high26 Ų2661.1 Ų61.118%0.18234%0.337CS..THydrogen-bonded Turntrans-57.3114.4174.6-1760000110.9G46 D47 H174S37-G46 CarbonylContact O-C 3.54Å; S37-G46 VanDerWaalsContact O-CA 3.32Å; S37-G46 WeakPolarHBondContact O-CA 3.46Å; S37-D47 PolarHBondContact OG-N 3.41Å; S37-H174 VanDerWaalsContact CB-CE1 3.44Å; S37-H174 WeakPolarHBondContact CB-CE1 3.36Å; S37-H174 WeakPolarHBondContact CB-O 3.16Å; S37-H174 PolarHBondContact N-O 3.48Å; S37-H174 PolarHBondContact OG-CE1 3.29Å
38G97.8Very high97.1Very high9 Ų958.1 Ų58.19%0.09332%0.321CS..THydrogen-bonded Turntrans89.88.2175.400000116.8Y36 N40 K41 F45Y36-G38 PolarHBondContact O-N 3.45Å; Y36-G38 VanDerWaalsContact O-N 3.07Å; G38-N40 PolarHBondContact O-N 2.94Å; G38-K41 WeakPolarHBondContact O-CB 3.28Å; G38-K41 PolarHBondContact O-N 2.93Å; G38-K41 VanDerWaalsContact O-N 3.08Å; G38-F45 WeakPolarHBondContact O-CD1 3.23Å
39E97.7Very high97.1Very high53 Ų5358.3 Ų58.325%0.24832%0.323CS..THydrogen-bonded Turntrans-55.3127.5176.7-168.4171.9-127.300111.1P35 Y36 K41 E114 K119P35-E39 WeakPolarHBondContact CA-OE2 3.48Å; P35-E39 WeakPolarHBondContact CB-OE2 3.48Å; Y36-E39 HydrophobicContact CD1-CB 4.46Å; Y36-E39 HydrophobicContact CD2-CB 3.8Å; Y36-E39 HydrophobicContact CE1-CB 4.24Å; Y36-E39 HydrophobicContact CE1-CG 3.94Å; Y36-E39 VanDerWaalsContact CE1-OE1 3.26Å; Y36-E39 WeakPolarHBondContact CE1-OE1 3.31Å; Y36-E39 HydrophobicContact CE2-CB 3.58Å; Y36-E39 HydrophobicContact CE2-CG 3.98Å; Y36-E39 HydrophobicContact CG-CB 4.25Å; Y36-E39 PolarHBondContact O-N 3.37Å; E39-K41 VanDerWaalsContact C-N 3.32Å; E39-K41 PolarHBondContact O-N 3.35Å; E39-E114 WeakPolarHBondContact CA-OE1 3.39Å; E39-K119 IonicContact OE1-NZ 3.7Å; E39-K119 PolarHBondContact OE1-NZ 3.4Å; E39-K119 IonicContact OE2-NZ 3.42Å
40N97Very high97.1Very high122 Ų12256 Ų5665%0.65231%0.307SS*.THydrogen-bonded Turntrans5535.4-174.4-58.8-74.6000114.8G38 P42 E114G38-N40 PolarHBondContact O-N 2.94Å; N40-P42 VanDerWaalsContact C-CD 3.47Å; N40-P42 WeakPolarHBondContact O-CD 3.19Å; N40-E114 PolarHBondContact N-OE1 3.09Å
41K97Very high97.1Very high141 Ų14149 Ų4961%0.61328%0.276SS*.  trans-121.267.2179.5-63.3-173.4-177.1177.70113.9G38 E39 F45G38-K41 WeakPolarHBondContact O-CB 3.28Å; G38-K41 PolarHBondContact O-N 2.93Å; G38-K41 VanDerWaalsContact O-N 3.08Å; E39-K41 VanDerWaalsContact C-N 3.32Å; E39-K41 PolarHBondContact O-N 3.35Å; K41-F45 VanDerWaalsContact O-CA 3.23Å; K41-F45 WeakPolarHBondContact O-CA 3.4Å; K41-F45 PolarHBondContact O-N 2.88Å
42P94.5Very high97.1Very high97 Ų9748.2 Ų48.263%0.6327%0.27SS*.THydrogen-bonded Turntrans-63.2158.8174.229.4-36000112.3N40 F45N40-P42 VanDerWaalsContact C-CD 3.47Å; N40-P42 WeakPolarHBondContact O-CD 3.19Å; P42-F45 HydrophobicContact CB-CE2 4.36Å; P42-F45 HydrophobicContact CB-CZ 4.07Å
43P93.6Very high97.2Very high106 Ų10647.7 Ų47.769%0.68827%0.266SS*.THydrogen-bonded Turncis-87.2-19.60.333.5-34000113.8F45 Y77P43-F45 WeakPolarHBondContact O-CD2 3.45Å; P43-F45 WeakPolarHBondContact O-CE2 3.32Å; P43-Y77 WeakPolarHBondContact O-CE2 3.19Å; P43-Y77 PolarHBondContact O-OH 2.99Å
44M95Very high97.2Very high75 Ų7541.8 Ų41.837%0.36924%0.235SC..THydrogen-bonded Turntrans-89.5-25-171.7-71.6-66.1-67.100113.8Y77 W78M44-Y77 HydrophobicContact CE-CD2 4.24Å; M44-Y77 HydrophobicContact SD-CD2 3.38Å; M44-Y77 WeakPolarHBondContact SD-CD2 3.33Å; M44-Y77 HydrophobicContact SD-CE2 3.77Å; M44-Y77 HydrophobicContact SD-CG 4.3Å; M44-W78 PolarHBondContact O-NE1 2.88Å
45F96.7Very high97.3Very high38 Ų3839.8 Ų39.817%0.16722%0.221CC..  trans57.4-135.3-172.3-53.6-94.6000110.9G38 K41 P42 P43 E49 G112 E114G38-F45 WeakPolarHBondContact O-CD1 3.23Å; K41-F45 VanDerWaalsContact O-CA 3.23Å; K41-F45 WeakPolarHBondContact O-CA 3.4Å; K41-F45 PolarHBondContact O-N 2.88Å; P42-F45 HydrophobicContact CB-CE2 4.36Å; P42-F45 HydrophobicContact CB-CZ 4.07Å; P43-F45 WeakPolarHBondContact O-CD2 3.45Å; P43-F45 WeakPolarHBondContact O-CE2 3.32Å; F45-E49 HydrophobicContact CB-CB 3.68Å; F45-E49 HydrophobicContact CB-CG 4.2Å; F45-E49 HydrophobicContact CD2-CG 4.18Å; F45-E49 HydrophobicContact CG-CB 4.31Å; F45-E49 HydrophobicContact CG-CG 4.45Å; F45-G112 WeakPolarHBondContact CZ-O 3.14Å; F45-E114 HydrophobicContact CE1-CG 4.1Å
46G97.4Very high97.4Very high5 Ų536.3 Ų36.35%0.05220%0.197CC..  trans-150.3-162.4-176.700000111.3S37 Y48 E49 A50S37-G46 CarbonylContact O-C 3.54Å; S37-G46 VanDerWaalsContact O-CA 3.32Å; S37-G46 WeakPolarHBondContact O-CA 3.46Å; G46-Y48 PolarHBondContact O-N 3.4Å; G46-E49 PolarHBondContact O-N 3.29Å; G46-A50 PolarHBondContact O-N 2.93Å; G46-A50 VanDerWaalsContact O-N 3.16Å
47D97.7Very high97.3Very high37 Ų3735.6 Ų35.620%0.19819%0.194CC..Hα-helixtrans-59.2-27.6-171.5-67.2-10.9000113.6S37 E49 A50 Q51 H174 Q176S37-D47 PolarHBondContact OG-N 3.41Å; D47-E49 VanDerWaalsContact C-N 3.34Å; D47-E49 PolarHBondContact O-N 3.28Å; D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 3.15Å; D47-Q51 WeakPolarHBondContact O-CG 3.02Å; D47-Q51 PolarHBondContact O-N 3.09Å; D47-H174 IonicContact OD2-CD2 3.67Å; D47-H174 PolarHBondContact OD2-CD2 3.47Å; D47-H174 IonicContact OD2-CE1 3.72Å; D47-H174 IonicContact OD2-NE2 2.86Å; D47-H174 PolarHBondContact OD2-NE2 2.95Å; D47-Q176 PolarHBondContact OD2-NE2 3.16Å
48Y98.3Very high97.3Very high4 Ų434.5 Ų34.52%0.01619%0.186CC..Hα-helixtrans-57.1-47.3171.7-178.4-82.9000112.3Y36 G46 A50 Q51 R52 L118 K119 M122 F175Y36-Y48 AromaticContact CD1-CD2 3.9Å; Y36-Y48 HydrophobicContact CD1-CD2 3.9Å; Y36-Y48 HydrophobicContact CD1-CE2 4.09Å; Y36-Y48 HydrophobicContact CD1-CG 4.24Å; Y36-Y48 AromaticContact CD2-CD1 3.92Å; Y36-Y48 HydrophobicContact CD2-CD1 3.92Å; Y36-Y48 AromaticContact CD2-CD2 3.9Å; Y36-Y48 HydrophobicContact CD2-CD2 3.9Å; Y36-Y48 AromaticContact CD2-CG 3.45Å; Y36-Y48 HydrophobicContact CD2-CG 3.45Å; Y36-Y48 VanDerWaalsContact CD2-CG 3.45Å; Y36-Y48 HydrophobicContact CE1-CD2 4.38Å; Y36-Y48 HydrophobicContact CE1-CE2 4.31Å; Y36-Y48 AromaticContact CE2-CD1 3.68Å; Y36-Y48 HydrophobicContact CE2-CD1 3.68Å; Y36-Y48 HydrophobicContact CE2-CD2 4.35Å; Y36-Y48 HydrophobicContact CE2-CE1 4.27Å; Y36-Y48 AromaticContact CE2-CG 3.73Å; Y36-Y48 HydrophobicContact CE2-CG 3.73Å; Y36-Y48 HydrophobicContact CG-CD1 4.43Å; Y36-Y48 AromaticContact CG-CD2 3.64Å; Y36-Y48 HydrophobicContact CG-CD2 3.64Å; Y36-Y48 HydrophobicContact CG-CE2 4.3Å; Y36-Y48 AromaticContact CG-CG 3.72Å; Y36-Y48 HydrophobicContact CG-CG 3.72Å; G46-Y48 PolarHBondContact O-N 3.4Å; Y48-A50 VanDerWaalsContact C-N 3.33Å; Y48-Q51 PolarHBondContact O-N 3.39Å; Y48-R52 PolarHBondContact O-N 3.19Å; Y48-R52 VanDerWaalsContact O-N 3.12Å; Y48-L118 WeakPolarHBondContact OH-CG 3.04Å; Y48-L118 PolarHBondContact OH-O 2.68Å; Y48-L118 VanDerWaalsContact OH-O 3.09Å; Y48-K119 WeakPolarHBondContact OH-CA 3.5Å; Y48-K119 PolarHBondContact OH-N 2.96Å; Y48-K119 VanDerWaalsContact OH-N 3.15Å; Y48-M122 HydrophobicContact CE2-CB 3.54Å; Y48-M122 HydrophobicContact CE2-CG 3.95Å; Y48-M122 WeakPolarHBondContact OH-CB 3.35Å; Y48-M122 VanDerWaalsContact OH-CG 3.26Å; Y48-M122 WeakPolarHBondContact OH-CG 3.3Å; Y48-F175 HydrophobicContact CD2-CB 4.12Å; Y48-F175 AromaticContact CD2-CD1 3.88Å; Y48-F175 HydrophobicContact CD2-CD1 3.88Å; Y48-F175 AromaticContact CD2-CD2 3.58Å; Y48-F175 HydrophobicContact CD2-CD2 3.58Å; Y48-F175 HydrophobicContact CD2-CE1 4.23Å; Y48-F175 AromaticContact CD2-CE2 3.97Å; Y48-F175 HydrophobicContact CD2-CE2 3.97Å; Y48-F175 AromaticContact CD2-CG 3.55Å; Y48-F175 HydrophobicContact CD2-CG 3.55Å; Y48-F175 HydrophobicContact CD2-CZ 4.3Å; Y48-F175 HydrophobicContact CE2-CD2 4.01Å; Y48-F175 AromaticContact CE2-CE2 3.99Å; Y48-F175 HydrophobicContact CE2-CE2 3.99Å; Y48-F175 HydrophobicContact CE2-CG 4.39Å; Y48-F175 HydrophobicContact CE2-CZ 4.37Å; Y48-F175 HydrophobicContact CG-CD1 4.37Å; Y48-F175 HydrophobicContact CG-CG 4.33Å
49E98.2Very high97.4Very high5 Ų535 Ų352%0.02319%0.186CC..Hα-helixtrans-70.3-32.7177.4176.556.6-166.700111F45 G46 D47 R52 H53 Y77 G112F45-E49 HydrophobicContact CB-CB 3.68Å; F45-E49 HydrophobicContact CB-CG 4.2Å; F45-E49 HydrophobicContact CD2-CG 4.18Å; F45-E49 HydrophobicContact CG-CB 4.31Å; F45-E49 HydrophobicContact CG-CG 4.45Å; G46-E49 PolarHBondContact O-N 3.29Å; D47-E49 VanDerWaalsContact C-N 3.34Å; D47-E49 PolarHBondContact O-N 3.28Å; E49-R52 PolarHBondContact O-N 2.81Å; E49-R52 IonicContact OE1-CZ 3.22Å; E49-R52 IonicContact OE1-NE 2.66Å; E49-R52 PolarHBondContact OE1-NE 3.41Å; E49-R52 IonicContact OE1-NH2 3.34Å; E49-R52 PolarHBondContact OE1-NH2 3.5Å; E49-R52 WeakPolarHBondContact OE2-CD 3.41Å; E49-R52 IonicContact OE2-CZ 2.78Å; E49-R52 IonicContact OE2-NE 2.8Å; E49-R52 PolarHBondContact OE2-NE 3.2Å; E49-R52 IonicContact OE2-NH2 2.68Å; E49-H53 WeakPolarHBondContact O-CB 3.23Å; E49-H53 PolarHBondContact O-N 3.44Å; E49-Y77 HydrophobicContact CG-CE1 4.18Å; E49-Y77 WeakPolarHBondContact CG-OH 3.43Å; E49-Y77 PolarHBondContact OE1-OH 3.35Å; E49-G112 PolarHBondContact OE1-N 2.84Å
50A98.1Very high97.4Very high3 Ų335.7 Ų35.73%0.02519%0.192CC..Hα-helixtrans-57.6-52.3173.900000111.5G46 D47 Y48 R52 H53 W54 W78G46-A50 PolarHBondContact O-N 2.93Å; G46-A50 VanDerWaalsContact O-N 3.16Å; D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 3.15Å; Y48-A50 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 3.31Å; A50-H53 WeakPolarHBondContact O-CB 3.44Å; A50-H53 PolarHBondContact O-N 3.41Å; A50-H53 VanDerWaalsContact O-N 3.16Å; A50-W54 PolarHBondContact O-N 3.16Å; A50-W78 HydrophobicContact CB-CB 3.89Å; A50-W78 HydrophobicContact CB-CD2 3.43Å; A50-W78 VanDerWaalsContact CB-CD2 3.43Å; A50-W78 HydrophobicContact CB-CE3 3.44Å; A50-W78 VanDerWaalsContact CB-CE3 3.44Å; A50-W78 HydrophobicContact CB-CG 3.64Å; A50-W78 HydrophobicContact CB-CZ3 4.09Å
51Q98.4Very high97.4Very high5 Ų530.7 Ų30.72%0.02317%0.165CC..Hα-helixtrans-62.8-42.3179.6-61.6-59.7-32.600112.1D47 Y48 H53 W54 M55 M122 F175 Y177D47-Q51 WeakPolarHBondContact O-CG 3.02Å; D47-Q51 PolarHBondContact O-N 3.09Å; Y48-Q51 PolarHBondContact O-N 3.39Å; Q51-H53 VanDerWaalsContact C-N 3.32Å; Q51-H53 PolarHBondContact O-N 3.01Å; Q51-W54 PolarHBondContact O-N 2.88Å; Q51-W54 VanDerWaalsContact OE1-CZ3 3.28Å; Q51-M55 PolarHBondContact O-N 2.88Å; Q51-M55 VanDerWaalsContact O-N 3.14Å; Q51-M122 HydrophobicContact CB-CE 4.1Å; Q51-F175 HydrophobicContact CB-CD1 4.29Å; Q51-F175 HydrophobicContact CB-CE1 3.79Å; Q51-F175 HydrophobicContact CG-CD1 4.03Å; Q51-F175 HydrophobicContact CG-CE1 3.9Å; Q51-Y177 HydrophobicContact CB-CE2 4.24Å; Q51-Y177 HydrophobicContact CG-CD2 4.2Å; Q51-Y177 HydrophobicContact CG-CE2 4.13Å
52R98.3Very high97.4Very high0 Ų026.9 Ų26.90%016%0.155CC..Hα-helixtrans-63.6-39.5175.1-169.1-140.259.880.7-0.2111.4Y48 E49 A50 W54 M55 K56 W104 S110 L118 M122Y48-R52 PolarHBondContact O-N 3.19Å; Y48-R52 VanDerWaalsContact O-N 3.12Å; E49-R52 PolarHBondContact O-N 2.81Å; E49-R52 IonicContact OE1-CZ 3.22Å; E49-R52 IonicContact OE1-NE 2.66Å; E49-R52 PolarHBondContact OE1-NE 3.41Å; E49-R52 IonicContact OE1-NH2 3.34Å; E49-R52 PolarHBondContact OE1-NH2 3.5Å; E49-R52 WeakPolarHBondContact OE2-CD 3.41Å; E49-R52 IonicContact OE2-CZ 2.78Å; E49-R52 IonicContact OE2-NE 2.8Å; E49-R52 PolarHBondContact OE2-NE 3.2Å; E49-R52 IonicContact OE2-NH2 2.68Å; A50-R52 PolarHBondContact O-N 3.31Å; R52-W54 VanDerWaalsContact C-N 3.35Å; R52-M55 WeakPolarHBondContact O-CB 3.45Å; R52-M55 PolarHBondContact O-N 3.18Å; R52-K56 PolarHBondContact O-N 3.09Å; R52-W104 PolarHBondContact NH1-O 3.32Å; R52-S110 PolarHBondContact NE-O 3.34Å; R52-S110 PolarHBondContact NH1-O 3.4Å; R52-S110 PolarHBondContact NH1-OG 2.93Å; R52-S110 PolarHBondContact NH2-O 3.4Å; R52-S110 VanDerWaalsContact NH2-O 3.15Å; R52-L118 HydrophobicContact CG-CD2 4.25Å; R52-M122 HydrophobicContact CB-CE 3.93Å
53H97.9Very high97.5Very high1 Ų127.1 Ų27.11%0.00515%0.149CC..Hα-helixtrans-63.6-40.6177.3-170.789.6000111.6E49 A50 Q51 M55 K56 I57 Y77 W78E49-H53 WeakPolarHBondContact O-CB 3.23Å; E49-H53 PolarHBondContact O-N 3.44Å; A50-H53 WeakPolarHBondContact O-CB 3.44Å; A50-H53 PolarHBondContact O-N 3.41Å; A50-H53 VanDerWaalsContact O-N 3.16Å; Q51-H53 VanDerWaalsContact C-N 3.32Å; Q51-H53 PolarHBondContact O-N 3.01Å; H53-M55 VanDerWaalsContact C-N 3.34Å; H53-M55 PolarHBondContact O-N 3.41Å; H53-K56 PolarHBondContact CE1-NZ 3.45Å; H53-K56 PolarHBondContact ND1-NZ 3.41Å; H53-K56 WeakPolarHBondContact O-CB 3.49Å; H53-K56 PolarHBondContact O-N 3.2Å; H53-K56 VanDerWaalsContact O-N 3.14Å; H53-I57 WeakPolarHBondContact CD2-CD1 3.28Å; H53-I57 VanDerWaalsContact NE2-CD1 3.29Å; H53-I57 WeakPolarHBondContact NE2-CD1 3.25Å; H53-I57 PolarHBondContact O-N 2.84Å; H53-Y77 AromaticContact CE1-CD1 3.46Å; H53-Y77 VanDerWaalsContact CE1-CD1 3.46Å; H53-Y77 WeakPolarHBondContact CE1-CD1 3.32Å; H53-Y77 AromaticContact CE1-CE1 3.99Å; H53-Y77 AromaticContact ND1-CD1 3.52Å; H53-Y77 AromaticContact ND1-CE1 3.6Å; H53-Y77 PolarHBondContact NE2-O 3.4Å; H53-W78 HydrophobicContact CB-CB 4.36Å
54W98.5Very high97.7Very high6 Ų627.9 Ų27.92%0.02315%0.148CC..Hα-helixtrans-63.2-39.9174.9-59-12.3000112A50 Q51 R52 K56 I57 T58 W78 L80 D81 Y82 T86A50-W54 PolarHBondContact O-N 3.16Å; Q51-W54 PolarHBondContact O-N 2.88Å; Q51-W54 VanDerWaalsContact OE1-CZ3 3.28Å; R52-W54 VanDerWaalsContact C-N 3.35Å; W54-K56 VanDerWaalsContact C-N 3.33Å; W54-K56 PolarHBondContact O-N 2.93Å; W54-I57 PolarHBondContact O-N 3.2Å; W54-T58 WeakPolarHBondContact O-CB 3.34Å; W54-T58 VanDerWaalsContact O-CG2 3.23Å; W54-T58 WeakPolarHBondContact O-CG2 3.49Å; W54-T58 PolarHBondContact O-N 3.46Å; W54-T58 PolarHBondContact O-OG1 2.95Å; W54-W78 VanDerWaalsContact CD1-O 3.3Å; W54-W78 PolarHBondContact NE1-O 3.28Å; W54-L80 HydrophobicContact CB-CD1 4.08Å; W54-L80 HydrophobicContact CD2-CG 4.19Å; W54-L80 HydrophobicContact CG-CD1 4.11Å; W54-L80 HydrophobicContact CG-CG 4.11Å; W54-D81 WeakPolarHBondContact CH2-OD1 2.8Å; W54-D81 WeakPolarHBondContact CZ2-OD1 3.3Å; W54-Y82 HydrophobicContact CH2-CD1 4.16Å; W54-Y82 AromaticContact CH2-CD2 3.84Å; W54-Y82 HydrophobicContact CH2-CD2 3.84Å; W54-Y82 HydrophobicContact CH2-CE1 4.13Å; W54-Y82 AromaticContact CH2-CE2 3.81Å; W54-Y82 HydrophobicContact CH2-CE2 3.81Å; W54-Y82 AromaticContact CH2-CG 3.98Å; W54-Y82 HydrophobicContact CH2-CG 3.98Å; W54-Y82 AromaticContact CH2-CZ 3.93Å; W54-Y82 AromaticContact CZ3-CD2 3.74Å; W54-Y82 HydrophobicContact CZ3-CD2 3.74Å; W54-Y82 AromaticContact CZ3-CE2 3.92Å; W54-Y82 HydrophobicContact CZ3-CE2 3.92Å; W54-Y82 HydrophobicContact CZ3-CG 4.18Å; W54-T86 HydrophobicContact CE3-CG2 3.83Å; W54-T86 HydrophobicContact CZ3-CG2 3.69Å
55M98.6Very high97.8Very high2 Ų227.2 Ų27.21%0.0114%0.144CC..Hα-helixtrans-59-44.8171.2-69.7165.361.200111.7Q51 R52 H53 T58 I59 S90 L93 A94 A97 V105 F121 M122Q51-M55 PolarHBondContact O-N 2.88Å; Q51-M55 VanDerWaalsContact O-N 3.14Å; R52-M55 WeakPolarHBondContact O-CB 3.45Å; R52-M55 PolarHBondContact O-N 3.18Å; H53-M55 VanDerWaalsContact C-N 3.34Å; H53-M55 PolarHBondContact O-N 3.41Å; M55-T58 PolarHBondContact O-OG1 2.96Å; M55-I59 WeakPolarHBondContact O-CB 3.25Å; M55-I59 WeakPolarHBondContact O-CG2 3.48Å; M55-I59 PolarHBondContact O-N 3.27Å; M55-S90 WeakPolarHBondContact CG-O 3.48Å; M55-L93 HydrophobicContact CE-CB 4.1Å; M55-L93 HydrophobicContact CG-CB 4.23Å; M55-L93 HydrophobicContact SD-CB 4.14Å; M55-A94 HydrophobicContact CB-CB 3.69Å; M55-A94 HydrophobicContact CG-CB 4.25Å; M55-A94 WeakPolarHBondContact O-CB 3.3Å; M55-A97 HydrophobicContact CE-CB 3.48Å; M55-A97 VanDerWaalsContact CE-CB 3.48Å; M55-V105 HydrophobicContact CB-CG1 4.11Å; M55-V105 HydrophobicContact CE-CG1 4.31Å; M55-F121 HydrophobicContact CE-CE1 3.62Å; M55-F121 HydrophobicContact CE-CZ 4.29Å; M55-M122 HydrophobicContact CE-SD 4.1Å; M55-M122 HydrophobicContact SD-CE 3.95Å; M55-M122 HydrophobicContact SD-SD 3.55Å
56K97.9Very high97.8Very high13 Ų1325.8 Ų25.86%0.05714%0.137CC..Hα-helixtrans-62.7-44.3176.9-179.3-143.767.6170.40112.3R52 H53 W54 N60 V105 S110R52-K56 PolarHBondContact O-N 3.09Å; H53-K56 PolarHBondContact CE1-NZ 3.45Å; H53-K56 PolarHBondContact ND1-NZ 3.41Å; H53-K56 WeakPolarHBondContact O-CB 3.49Å; H53-K56 PolarHBondContact O-N 3.2Å; H53-K56 VanDerWaalsContact O-N 3.14Å; W54-K56 VanDerWaalsContact C-N 3.33Å; W54-K56 PolarHBondContact O-N 2.93Å; K56-N60 WeakPolarHBondContact O-CB 3.37Å; K56-N60 PolarHBondContact O-ND2 3.08Å; K56-V105 HydrophobicContact CB-CB 4.44Å; K56-V105 WeakPolarHBondContact CG-O 3.44Å; K56-S110 WeakPolarHBondContact CD-OG 3.4Å; K56-S110 WeakPolarHBondContact CG-OG 3.34Å
57I97.7Very high97.9Very high0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-63.3-55.8177.7-72.1165.2000109.8H53 W54 I59 N60 L61 W66 N73H53-I57 WeakPolarHBondContact CD2-CD1 3.28Å; H53-I57 VanDerWaalsContact NE2-CD1 3.29Å; H53-I57 WeakPolarHBondContact NE2-CD1 3.25Å; H53-I57 PolarHBondContact O-N 2.84Å; W54-I57 PolarHBondContact O-N 3.2Å; I57-I59 VanDerWaalsContact C-N 3.26Å; I57-I59 PolarHBondContact O-N 3.04Å; I57-N60 PolarHBondContact O-N 3.4Å; I57-N60 VanDerWaalsContact O-N 3.1Å; I57-L61 HydrophobicContact CG2-CB 4.4Å; I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 HydrophobicContact CG2-CG 4.35Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 PolarHBondContact O-N 3.27Å; I57-W66 HydrophobicContact CG2-CG 4.43Å; I57-N73 VanDerWaalsContact CD1-OD1 3.22Å; I57-N73 WeakPolarHBondContact CD1-OD1 3.48Å
58T98.2Very high97.9Very high3 Ų331.6 Ų31.62%0.01816%0.164CC..Hα-helixtrans-61.9-33.2-169.452.80000113W54 M55 W66 L80 A87 W91W54-T58 WeakPolarHBondContact O-CB 3.34Å; W54-T58 VanDerWaalsContact O-CG2 3.23Å; W54-T58 WeakPolarHBondContact O-CG2 3.49Å; W54-T58 PolarHBondContact O-N 3.46Å; W54-T58 PolarHBondContact O-OG1 2.95Å; M55-T58 PolarHBondContact O-OG1 2.96Å; T58-W66 HydrophobicContact CG2-CD2 3.91Å; T58-W66 HydrophobicContact CG2-CE3 4.12Å; T58-W66 HydrophobicContact CG2-CG 4.41Å; T58-W66 HydrophobicContact CG2-CH2 4.27Å; T58-W66 HydrophobicContact CG2-CZ2 4.1Å; T58-W66 HydrophobicContact CG2-CZ3 4.29Å; T58-W66 WeakPolarHBondContact O-CZ2 3.36Å; T58-L80 HydrophobicContact CG2-CD1 4.03Å; T58-A87 HydrophobicContact CG2-CB 4.2Å; T58-A87 WeakPolarHBondContact CG2-O 3.49Å; T58-W91 VanDerWaalsContact O-CD1 3.28Å; T58-W91 WeakPolarHBondContact OG1-CA 3.25Å; T58-W91 PolarHBondContact OG1-N 3.34Å
59I98Very high97.8Very high18 Ų1837.1 Ų37.19%0.09219%0.19CC..Hα-helixtrans-80-22.8179.3-162.159.6000114.7M55 I57 A94 H95 V105M55-I59 WeakPolarHBondContact O-CB 3.25Å; M55-I59 WeakPolarHBondContact O-CG2 3.48Å; M55-I59 PolarHBondContact O-N 3.27Å; I57-I59 VanDerWaalsContact C-N 3.26Å; I57-I59 PolarHBondContact O-N 3.04Å; I59-A94 HydrophobicContact CB-CB 3.63Å; I59-A94 HydrophobicContact CD1-CB 4.34Å; I59-A94 HydrophobicContact CG1-CB 4.11Å; I59-A94 HydrophobicContact CG2-CB 4.1Å; I59-H95 WeakPolarHBondContact CD1-CE1 3.5Å; I59-H95 WeakPolarHBondContact CD1-ND1 3.13Å; I59-V105 HydrophobicContact CG2-CB 4.12Å; I59-V105 HydrophobicContact CG2-CG2 4.21Å
60N97.9Very high97.6Very high68 Ų6838.3 Ų38.336%0.36420%0.199SC..Hα-helixtrans-110-23.8-172.8-67.3-65.8000113.8K56 I57 V105 L107K56-N60 WeakPolarHBondContact O-CB 3.37Å; K56-N60 PolarHBondContact O-ND2 3.08Å; I57-N60 PolarHBondContact O-N 3.4Å; I57-N60 VanDerWaalsContact O-N 3.1Å; N60-V105 PolarHBondContact ND2-O 2.8Å; N60-L107 HydrophobicContact CB-CB 4.35Å; N60-L107 HydrophobicContact CB-CD1 4.06Å
61L97.8Very high97.2Very high17 Ų1746.4 Ų46.49%0.08924%0.242CC..SBendtrans-106148.8-176-58.2-171.9000111.5I57 E65 W66 N73 L107I57-L61 HydrophobicContact CG2-CB 4.4Å; I57-L61 HydrophobicContact CG2-CD1 3.85Å; I57-L61 HydrophobicContact CG2-CG 4.35Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 PolarHBondContact O-N 3.27Å; L61-E65 HydrophobicContact CB-CB 4.29Å; L61-W66 PolarHBondContact O-NE1 3.29Å; L61-N73 HydrophobicContact CD1-CB 3.67Å; L61-L107 HydrophobicContact CD2-CD1 4.27Å; L61-L107 HydrophobicContact CD2-CD2 4.28Å
62P96.9Very high97Very high62 Ų6248.2 Ų48.240%0.40326%0.255SS..  trans-64.8155172.633.1-37.5000110.5D64 E65 W66P62-D64 VanDerWaalsContact CB-OD1 3.26Å; P62-D64 WeakPolarHBondContact CB-OD1 3.42Å; P62-D64 WeakPolarHBondContact CG-OD1 3.3Å; P62-D64 PolarHBondContact O-N 3.46Å; P62-E65 HydrophobicContact CG-CB 4.1Å; P62-E65 HydrophobicContact CG-CG 3.87Å; P62-E65 WeakPolarHBondContact CG-OE1 3.41Å; P62-E65 PolarHBondContact O-N 3Å; P62-W66 PolarHBondContact O-NE1 2.99Å
63I97.2Very high96.8Very high101 Ų10148.2 Ų48.252%0.51826%0.255SS..G310 helixtrans-59.7-33.7-170-65.7172.1000112.1E65 W66I63-E65 PolarHBondContact O-N 2.94Å; I63-W66 HydrophobicContact CG1-CH2 4.12Å; I63-W66 HydrophobicContact CG1-CZ2 3.84Å; I63-W66 HydrophobicContact CG2-CE3 4.41Å; I63-W66 PolarHBondContact O-N 3.5Å
64D96.4Very high96.7Very high122 Ų12250.9 Ų50.965%0.65227%0.269SS*.G310 helixtrans-71.6-12.2178.258.9-26.3000113.9P62 V68P62-D64 VanDerWaalsContact CB-OD1 3.26Å; P62-D64 WeakPolarHBondContact CB-OD1 3.42Å; P62-D64 WeakPolarHBondContact CG-OD1 3.3Å; P62-D64 PolarHBondContact O-N 3.46Å; D64-V68 WeakPolarHBondContact O-CG2 3.22Å
65E97.4Very high96.6Very high62 Ų6253.5 Ų53.529%0.2928%0.284SS..G310 helixtrans-98.8-9.2175.4-74.9-167.9-125.100114.1L61 P62 I63 Y67 V68 S70 N73L61-E65 HydrophobicContact CB-CB 4.29Å; P62-E65 HydrophobicContact CG-CB 4.1Å; P62-E65 HydrophobicContact CG-CG 3.87Å; P62-E65 WeakPolarHBondContact CG-OE1 3.41Å; P62-E65 PolarHBondContact O-N 3Å; I63-E65 PolarHBondContact O-N 2.94Å; E65-Y67 PolarHBondContact O-N 3.18Å; E65-Y67 VanDerWaalsContact O-N 3.17Å; E65-V68 PolarHBondContact O-N 3.03Å; E65-S70 WeakPolarHBondContact OE2-CB 3.43Å; E65-S70 PolarHBondContact OE2-OG 3.33Å; E65-N73 PolarHBondContact O-ND2 3.03Å
66W98Very high96.4Very high7 Ų761 Ų613%0.02732%0.32CS..THydrogen-bonded Turntrans-59.3-33.9-173.6-69.81.8000113.9I57 T58 L61 P62 I63 N73 A87 Y88 W91I57-W66 HydrophobicContact CG2-CG 4.43Å; T58-W66 HydrophobicContact CG2-CD2 3.91Å; T58-W66 HydrophobicContact CG2-CE3 4.12Å; T58-W66 HydrophobicContact CG2-CG 4.41Å; T58-W66 HydrophobicContact CG2-CH2 4.27Å; T58-W66 HydrophobicContact CG2-CZ2 4.1Å; T58-W66 HydrophobicContact CG2-CZ3 4.29Å; T58-W66 WeakPolarHBondContact O-CZ2 3.36Å; L61-W66 PolarHBondContact O-NE1 3.29Å; P62-W66 PolarHBondContact O-NE1 2.99Å; I63-W66 HydrophobicContact CG1-CH2 4.12Å; I63-W66 HydrophobicContact CG1-CZ2 3.84Å; I63-W66 HydrophobicContact CG2-CE3 4.41Å; I63-W66 PolarHBondContact O-N 3.5Å; W66-N73 PolarHBondContact O-ND2 3.2Å; W66-N73 VanDerWaalsContact O-ND2 3.09Å; W66-A87 HydrophobicContact CD2-CB 4.48Å; W66-A87 HydrophobicContact CE3-CB 3.41Å; W66-A87 VanDerWaalsContact CE3-CB 3.41Å; W66-A87 HydrophobicContact CZ3-CB 3.49Å; W66-A87 VanDerWaalsContact CZ3-CB 3.49Å; W66-Y88 HydrophobicContact CH2-CD1 4.03Å; W66-Y88 HydrophobicContact CH2-CE1 4.02Å; W66-Y88 HydrophobicContact CZ3-CD1 4.2Å; W66-Y88 HydrophobicContact CZ3-CE1 4.14Å; W66-W91 HydrophobicContact CH2-CB 4.22Å; W66-W91 HydrophobicContact CH2-CG 4.4Å
67Y98.1Very high96.4Very high85 Ų8560.8 Ų60.833%0.33332%0.319SS..THydrogen-bonded Turntrans-112.78-176.5-66.6-89.5000113.4E65 L80 Y82 P83 A87E65-Y67 PolarHBondContact O-N 3.18Å; E65-Y67 VanDerWaalsContact O-N 3.17Å; Y67-L80 HydrophobicContact CD1-CB 4.31Å; Y67-L80 HydrophobicContact CD1-CD2 4.22Å; Y67-L80 VanDerWaalsContact CD1-O 3.24Å; Y67-L80 WeakPolarHBondContact CD1-O 3.46Å; Y67-L80 HydrophobicContact CE1-CB 4.17Å; Y67-L80 HydrophobicContact CE1-CD2 3.29Å; Y67-L80 HydrophobicContact CE1-CG 4.32Å; Y67-L80 WeakPolarHBondContact CE1-O 3.32Å; Y67-L80 HydrophobicContact CE2-CD2 4.23Å; Y67-L80 WeakPolarHBondContact OH-CD2 3.48Å; Y67-Y82 VanDerWaalsContact CE1-O 3.24Å; Y67-Y82 WeakPolarHBondContact CE1-O 3.49Å; Y67-Y82 PolarHBondContact OH-O 3.44Å; Y67-P83 VanDerWaalsContact OH-C 3.28Å; Y67-P83 PolarHBondContact OH-O 2.87Å; Y67-A87 HydrophobicContact CE2-CB 4.45Å
68V97.4Very high96.3Very high80 Ų8064 Ų6449%0.48533%0.331SS..SBendtrans-115.7135.8-173.8-178.10000109.4D64 E65 S70 N73D64-V68 WeakPolarHBondContact O-CG2 3.22Å; E65-V68 PolarHBondContact O-N 3.03Å; V68-S70 PolarHBondContact O-N 3.35Å; V68-N73 PolarHBondContact O-ND2 3.15Å
69H96.5Very high96.3Very high119 Ų11964.7 Ų64.755%0.55134%0.339SS*.  trans-68.2121.9174.1-170.486.5000109.7N73 D74 L75H69-N73 WeakPolarHBondContact CA-O 3.5Å; H69-D74 IonicContact CE1-OD1 3.77Å; H69-L75 HydrophobicContact CB-CD1 3.92Å; H69-L75 HydrophobicContact CB-CG 3.94Å; H69-L75 PolarHBondContact ND1-N 3.47Å
70S93.9Very high96.3Very high30 Ų3064.3 Ų64.321%0.2134%0.337CS..  trans-139.9174.9179.684.10000110.6E65 V68 S72 N73E65-S70 WeakPolarHBondContact OE2-CB 3.43Å; E65-S70 PolarHBondContact OE2-OG 3.33Å; V68-S70 PolarHBondContact O-N 3.35Å; S70-S72 PolarHBondContact O-N 3.41Å; S70-S72 VanDerWaalsContact O-N 3.14Å; S70-S72 PolarHBondContact OG-N 2.89Å; S70-N73 PolarHBondContact N-O 3.23Å; S70-N73 CarbonylContact O-C 3.06Å; S70-N73 PolarHBondContact O-N 2.97Å; S70-N73 PolarHBondContact OG-N 3.29Å; S70-N73 VanDerWaalsContact OG-N 3.17Å
71N91Very high96.2Very high173 Ų17365.6 Ų65.693%0.92534%0.344SS*.SBendtrans-59.1-25175-68-32.7000112.5
72S93Very high96.2Very high44 Ų4466 Ų6631%0.30835%0.345SS..SBendtrans-104.9-11-179.2-58.20000113.4S70S70-S72 PolarHBondContact O-N 3.41Å; S70-S72 VanDerWaalsContact O-N 3.14Å; S70-S72 PolarHBondContact OG-N 2.89Å
73N95.5Very high96.3Very high0 Ų064.5 Ų64.50%034%0.335CS..  trans-127.899.1178.5-167.911.4000112.2I57 L61 E65 W66 V68 H69 S70 L75I57-N73 VanDerWaalsContact CD1-OD1 3.22Å; I57-N73 WeakPolarHBondContact CD1-OD1 3.48Å; L61-N73 HydrophobicContact CD1-CB 3.67Å; E65-N73 PolarHBondContact O-ND2 3.03Å; W66-N73 PolarHBondContact O-ND2 3.2Å; W66-N73 VanDerWaalsContact O-ND2 3.09Å; V68-N73 PolarHBondContact O-ND2 3.15Å; H69-N73 WeakPolarHBondContact CA-O 3.5Å; S70-N73 PolarHBondContact N-O 3.23Å; S70-N73 CarbonylContact O-C 3.06Å; S70-N73 PolarHBondContact O-N 2.97Å; S70-N73 PolarHBondContact OG-N 3.29Å; S70-N73 VanDerWaalsContact OG-N 3.17Å; N73-L75 PolarHBondContact O-N 2.9Å
74D95Very high96.4Very high56 Ų5663.1 Ų63.130%0.29933%0.333SS..  trans-88.995.2176.3173.618.6000110.8H69 M76 Y77 R111H69-D74 IonicContact CE1-OD1 3.77Å; D74-M76 PolarHBondContact O-N 3.4Å; D74-M76 VanDerWaalsContact O-N 3.07Å; D74-M76 WeakPolarHBondContact OD1-CB 3.4Å; D74-M76 PolarHBondContact OD1-N 3.12Å; D74-Y77 PolarHBondContact O-N 3.48Å; D74-R111 IonicContact OD2-NH2 2.92Å; D74-R111 PolarHBondContact OD2-NH2 2.79Å
75L96Very high96.5Very high62 Ų6260.2 Ų60.233%0.32532%0.317SS..THydrogen-bonded Turntrans-58.8-18.4178.1-61-174000114.8H69 N73 Y77 G79H69-L75 HydrophobicContact CB-CD1 3.92Å; H69-L75 HydrophobicContact CB-CG 3.94Å; H69-L75 PolarHBondContact ND1-N 3.47Å; N73-L75 PolarHBondContact O-N 2.9Å; L75-Y77 PolarHBondContact O-N 3.47Å; L75-G79 PolarHBondContact O-N 2.95Å
76M95.6Very high96.5Very high158 Ų15857.3 Ų57.378%0.77830%0.303SS*.THydrogen-bonded Turntrans-75.9-11.5175.2-66-58.1-5800112.8D74D74-M76 PolarHBondContact O-N 3.4Å; D74-M76 VanDerWaalsContact O-N 3.07Å; D74-M76 WeakPolarHBondContact OD1-CB 3.4Å; D74-M76 PolarHBondContact OD1-N 3.12Å
77Y96.4Very high96.5Very high10 Ų1057 Ų574%0.03930%0.302CS..THydrogen-bonded Turntrans-115.191.3174.2-171-87.3000110.1P43 M44 E49 H53 D74 L75 G79 R111P43-Y77 WeakPolarHBondContact O-CE2 3.19Å; P43-Y77 PolarHBondContact O-OH 2.99Å; M44-Y77 HydrophobicContact CE-CD2 4.24Å; M44-Y77 HydrophobicContact SD-CD2 3.38Å; M44-Y77 WeakPolarHBondContact SD-CD2 3.33Å; M44-Y77 HydrophobicContact SD-CE2 3.77Å; M44-Y77 HydrophobicContact SD-CG 4.3Å; E49-Y77 HydrophobicContact CG-CE1 4.18Å; E49-Y77 WeakPolarHBondContact CG-OH 3.43Å; E49-Y77 PolarHBondContact OE1-OH 3.35Å; H53-Y77 AromaticContact CE1-CD1 3.46Å; H53-Y77 VanDerWaalsContact CE1-CD1 3.46Å; H53-Y77 WeakPolarHBondContact CE1-CD1 3.32Å; H53-Y77 AromaticContact CE1-CE1 3.99Å; H53-Y77 AromaticContact ND1-CD1 3.52Å; H53-Y77 AromaticContact ND1-CE1 3.6Å; H53-Y77 PolarHBondContact NE2-O 3.4Å; D74-Y77 PolarHBondContact O-N 3.48Å; L75-Y77 PolarHBondContact O-N 3.47Å; Y77-G79 VanDerWaalsContact C-N 3.27Å; Y77-G79 PolarHBondContact O-N 3.5Å; Y77-R111 HydrophobicContact CD1-CG 4.33Å; Y77-R111 VanDerWaalsContact CD1-NE 3.27Å; Y77-R111 VanDerWaalsContact CD2-NE 3.3Å; Y77-R111 HydrophobicContact CE1-CG 3.52Å; Y77-R111 VanDerWaalsContact CE1-NE 3.33Å; Y77-R111 HydrophobicContact CE2-CG 4.11Å; Y77-R111 VanDerWaalsContact CG-CZ 3.47Å; Y77-R111 VanDerWaalsContact CG-NE 3.27Å; Y77-R111 VanDerWaalsContact CZ-CG 3.41Å; Y77-R111 WeakPolarHBondContact OH-CG 3.5Å
78W97.1Very high96.6Very high67 Ų6758.2 Ų58.225%0.25431%0.307SS..THydrogen-bonded Turntrans50.347.1177.9-58.5121.4000113.4M44 A50 H53 W54M44-W78 PolarHBondContact O-NE1 2.88Å; A50-W78 HydrophobicContact CB-CB 3.89Å; A50-W78 HydrophobicContact CB-CD2 3.43Å; A50-W78 VanDerWaalsContact CB-CD2 3.43Å; A50-W78 HydrophobicContact CB-CE3 3.44Å; A50-W78 VanDerWaalsContact CB-CE3 3.44Å; A50-W78 HydrophobicContact CB-CG 3.64Å; A50-W78 HydrophobicContact CB-CZ3 4.09Å; H53-W78 HydrophobicContact CB-CB 4.36Å; W54-W78 VanDerWaalsContact CD1-O 3.3Å; W54-W78 PolarHBondContact NE1-O 3.28Å
79G97.3Very high96.6Very high18 Ų1855.5 Ų55.519%0.18629%0.288CS..  trans-52.2147.6168.700000111.1L75 Y77 D81L75-G79 PolarHBondContact O-N 2.95Å; Y77-G79 VanDerWaalsContact C-N 3.27Å; Y77-G79 PolarHBondContact O-N 3.5Å; G79-D81 PolarHBondContact O-N 3.49Å
80L97.6Very high96.7Very high10 Ų1049.9 Ų49.95%0.05226%0.263CS..  trans-72.5113.6-176.9-152.6151.4000109.4W54 T58 Y67 Y82 A87W54-L80 HydrophobicContact CB-CD1 4.08Å; W54-L80 HydrophobicContact CD2-CG 4.19Å; W54-L80 HydrophobicContact CG-CD1 4.11Å; W54-L80 HydrophobicContact CG-CG 4.11Å; T58-L80 HydrophobicContact CG2-CD1 4.03Å; Y67-L80 HydrophobicContact CD1-CB 4.31Å; Y67-L80 HydrophobicContact CD1-CD2 4.22Å; Y67-L80 VanDerWaalsContact CD1-O 3.24Å; Y67-L80 WeakPolarHBondContact CD1-O 3.46Å; Y67-L80 HydrophobicContact CE1-CB 4.17Å; Y67-L80 HydrophobicContact CE1-CD2 3.29Å; Y67-L80 HydrophobicContact CE1-CG 4.32Å; Y67-L80 WeakPolarHBondContact CE1-O 3.32Å; Y67-L80 HydrophobicContact CE2-CD2 4.23Å; Y67-L80 WeakPolarHBondContact OH-CD2 3.48Å; L80-Y82 VanDerWaalsContact CD2-O 3.3Å; L80-Y82 WeakPolarHBondContact CD2-O 3.26Å; L80-A87 HydrophobicContact CD1-CB 3.78Å; L80-A87 HydrophobicContact CD2-CB 4.02Å
81D96.8Very high97Very high94 Ų9453.9 Ų53.950%0.50327%0.273SS..  trans-109.7-7.1-171.267.5-26.3000113.5W54 G79W54-D81 WeakPolarHBondContact CH2-OD1 2.8Å; W54-D81 WeakPolarHBondContact CZ2-OD1 3.3Å; G79-D81 PolarHBondContact O-N 3.49Å
82Y98.1Very high97.3Very high27 Ų2751 Ų5111%0.10626%0.256CS..SBendtrans-96.3159.6179.1-68.65.4000111.4W54 Y67 L80 T86 K211W54-Y82 HydrophobicContact CH2-CD1 4.16Å; W54-Y82 AromaticContact CH2-CD2 3.84Å; W54-Y82 HydrophobicContact CH2-CD2 3.84Å; W54-Y82 HydrophobicContact CH2-CE1 4.13Å; W54-Y82 AromaticContact CH2-CE2 3.81Å; W54-Y82 HydrophobicContact CH2-CE2 3.81Å; W54-Y82 AromaticContact CH2-CG 3.98Å; W54-Y82 HydrophobicContact CH2-CG 3.98Å; W54-Y82 AromaticContact CH2-CZ 3.93Å; W54-Y82 AromaticContact CZ3-CD2 3.74Å; W54-Y82 HydrophobicContact CZ3-CD2 3.74Å; W54-Y82 AromaticContact CZ3-CE2 3.92Å; W54-Y82 HydrophobicContact CZ3-CE2 3.92Å; W54-Y82 HydrophobicContact CZ3-CG 4.18Å; Y67-Y82 VanDerWaalsContact CE1-O 3.24Å; Y67-Y82 WeakPolarHBondContact CE1-O 3.49Å; Y67-Y82 PolarHBondContact OH-O 3.44Å; L80-Y82 VanDerWaalsContact CD2-O 3.3Å; L80-Y82 WeakPolarHBondContact CD2-O 3.26Å; Y82-T86 HydrophobicContact CD2-CG2 3.84Å; Y82-T86 HydrophobicContact CG-CG2 4.32Å; Y82-K211 VanDerWaalsContact OH-CE 3.28Å; Y82-K211 WeakPolarHBondContact OH-CE 3.42Å; Y82-K211 PolarHBondContact OH-NZ 3.17Å
83P98.4Very high97.6Very high29 Ų2949.7 Ų49.719%0.18825%0.245CC..  trans-71.7172.5-176.9-5.723.7000112Y67 L85 T86 C209 Y210 Q212Y67-P83 VanDerWaalsContact OH-C 3.28Å; Y67-P83 PolarHBondContact OH-O 2.87Å; P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 PolarHBondContact O-N 3.44Å; P83-T86 PolarHBondContact O-N 3.28Å; P83-C209 CarbonylContact C-O 3.35Å; P83-C209 VanDerWaalsContact CB-O 3.31Å; P83-C209 WeakPolarHBondContact CB-O 3.37Å; P83-Y210 VanDerWaalsContact CD-O 3.31Å; P83-Y210 WeakPolarHBondContact CD-O 3.43Å; P83-Q212 HydrophobicContact CG-CB 4.32Å
84P98.2Very high97.7Very high73 Ų7349.7 Ų49.747%0.47425%0.245SC..Hα-helixtrans-57.3-28.8-163.7-30.636.8000116.3T86 A87 Y88P84-T86 VanDerWaalsContact C-N 3.27Å; P84-T86 PolarHBondContact O-N 2.7Å; P84-A87 WeakPolarHBondContact O-CB 3.41Å; P84-A87 PolarHBondContact O-N 2.85Å; P84-A87 VanDerWaalsContact O-N 3.08Å; P84-Y88 HydrophobicContact CB-CD2 4.5Å; P84-Y88 HydrophobicContact CB-CE2 4.28Å; P84-Y88 WeakPolarHBondContact O-CD2 3.3Å; P84-Y88 PolarHBondContact O-N 2.92Å
85L98.5Very high97.9Very high61 Ų6149.7 Ų49.732%0.31924%0.243SC..Hα-helixtrans-66.1-31.9-179.1-168.959.1000111.6P83 H89 L184 C206 C209 Y210P83-L85 VanDerWaalsContact C-N 3.26Å; P83-L85 PolarHBondContact O-N 3.44Å; L85-H89 WeakPolarHBondContact O-CB 3.45Å; L85-H89 PolarHBondContact O-N 3.38Å; L85-L184 HydrophobicContact CD2-CD1 4.1Å; L85-C206 HydrophobicContact CD2-CB 3.92Å; L85-C206 WeakPolarHBondContact CD2-O 3.18Å; L85-C209 HydrophobicContact CB-CB 4.07Å; L85-C209 WeakPolarHBondContact CB-O 3.33Å; L85-C209 PolarHBondContact N-O 3.4Å; L85-Y210 HydrophobicContact CB-CD2 4.37Å; L85-Y210 HydrophobicContact CD2-CD2 4.37Å; L85-Y210 HydrophobicContact CG-CD2 4.1Å
86T98.7Very high98Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-64.2-43.5170.2-67.80000111.5W54 Y82 P83 P84 Y88 H89 S90 Y210W54-T86 HydrophobicContact CE3-CG2 3.83Å; W54-T86 HydrophobicContact CZ3-CG2 3.69Å; Y82-T86 HydrophobicContact CD2-CG2 3.84Å; Y82-T86 HydrophobicContact CG-CG2 4.32Å; P83-T86 PolarHBondContact O-N 3.28Å; P84-T86 VanDerWaalsContact C-N 3.27Å; P84-T86 PolarHBondContact O-N 2.7Å; T86-Y88 VanDerWaalsContact C-N 3.32Å; T86-Y88 PolarHBondContact O-N 3.36Å; T86-H89 CarbonylContact O-C 3.47Å; T86-H89 WeakPolarHBondContact O-CA 3.26Å; T86-H89 WeakPolarHBondContact O-CB 3.35Å; T86-H89 PolarHBondContact O-N 3.08Å; T86-H89 VanDerWaalsContact O-N 3.09Å; T86-S90 PolarHBondContact O-N 2.92Å; T86-S90 PolarHBondContact O-OG 2.97Å; T86-Y210 PolarHBondContact OG1-O 2.88Å
87A98.6Very high98.1Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-62-41.4179.900000111.7T58 W66 Y67 L80 P84 S90 W91T58-A87 HydrophobicContact CG2-CB 4.2Å; T58-A87 WeakPolarHBondContact CG2-O 3.49Å; W66-A87 HydrophobicContact CD2-CB 4.48Å; W66-A87 HydrophobicContact CE3-CB 3.41Å; W66-A87 VanDerWaalsContact CE3-CB 3.41Å; W66-A87 HydrophobicContact CZ3-CB 3.49Å; W66-A87 VanDerWaalsContact CZ3-CB 3.49Å; Y67-A87 HydrophobicContact CE2-CB 4.45Å; L80-A87 HydrophobicContact CD1-CB 3.78Å; L80-A87 HydrophobicContact CD2-CB 4.02Å; P84-A87 WeakPolarHBondContact O-CB 3.41Å; P84-A87 PolarHBondContact O-N 2.85Å; P84-A87 VanDerWaalsContact O-N 3.08Å; A87-S90 PolarHBondContact O-N 2.86Å; A87-W91 WeakPolarHBondContact O-CB 3.46Å; A87-W91 PolarHBondContact O-N 3.49Å
88Y98.6Very high98.2Very high112 Ų11244.6 Ų44.644%0.43922%0.219SC..Hα-helixtrans-66.8-35172.6-70.6-65.2000113.2W66 P84 T86 W91 M92W66-Y88 HydrophobicContact CH2-CD1 4.03Å; W66-Y88 HydrophobicContact CH2-CE1 4.02Å; W66-Y88 HydrophobicContact CZ3-CD1 4.2Å; W66-Y88 HydrophobicContact CZ3-CE1 4.14Å; P84-Y88 HydrophobicContact CB-CD2 4.5Å; P84-Y88 HydrophobicContact CB-CE2 4.28Å; P84-Y88 WeakPolarHBondContact O-CD2 3.3Å; P84-Y88 PolarHBondContact O-N 2.92Å; T86-Y88 VanDerWaalsContact C-N 3.32Å; T86-Y88 PolarHBondContact O-N 3.36Å; Y88-W91 WeakPolarHBondContact O-CB 3.43Å; Y88-W91 PolarHBondContact O-N 3.08Å; Y88-M92 PolarHBondContact O-N 3.15Å
89H98.6Very high98.2Very high22 Ų2248.2 Ų48.210%0.10224%0.242CC..Hα-helixtrans-63.5-49.4172.6-179.5-142000111.1L85 T86 W91 M92 L93 Y177 Y210L85-H89 WeakPolarHBondContact O-CB 3.45Å; L85-H89 PolarHBondContact O-N 3.38Å; T86-H89 CarbonylContact O-C 3.47Å; T86-H89 WeakPolarHBondContact O-CA 3.26Å; T86-H89 WeakPolarHBondContact O-CB 3.35Å; T86-H89 PolarHBondContact O-N 3.08Å; T86-H89 VanDerWaalsContact O-N 3.09Å; H89-W91 VanDerWaalsContact C-N 3.28Å; H89-W91 PolarHBondContact O-N 3.31Å; H89-M92 WeakPolarHBondContact O-CB 3.45Å; H89-M92 PolarHBondContact O-N 3.15Å; H89-M92 VanDerWaalsContact O-N 3.13Å; H89-L93 WeakPolarHBondContact O-CG 3.3Å; H89-L93 PolarHBondContact O-N 3.2Å; H89-Y177 AromaticContact CE1-CD1 3.68Å; H89-Y177 AromaticContact CE1-CE1 3.85Å; H89-Y210 HydrophobicContact CB-CE2 3.81Å; H89-Y210 PolarHBondContact CE1-OH 3.07Å; H89-Y210 AromaticContact CG-CE2 3.94Å; H89-Y210 AromaticContact ND1-CE2 3.57Å; H89-Y210 AromaticContact ND1-CZ 3.62Å; H89-Y210 PolarHBondContact ND1-OH 2.89Å
90S98.7Very high98.3Very high2 Ų252.6 Ų52.61%0.01426%0.26CS..Hα-helixtrans-57.5-40.6174.1-61.60000111.8M55 T86 A87 M92 L93 A94M55-S90 WeakPolarHBondContact CG-O 3.48Å; T86-S90 PolarHBondContact O-N 2.92Å; T86-S90 PolarHBondContact O-OG 2.97Å; A87-S90 PolarHBondContact O-N 2.86Å; S90-M92 PolarHBondContact O-N 3.41Å; S90-L93 PolarHBondContact O-N 3.12Å; S90-A94 VanDerWaalsContact O-CB 3.22Å; S90-A94 WeakPolarHBondContact O-CB 3.31Å; S90-A94 PolarHBondContact O-N 3.45Å
91W98.6Very high98.3Very high113 Ų11354.9 Ų54.943%0.42827%0.272SS..Hα-helixtrans-60.8-42.6175.4177.982.1000112.9T58 W66 A87 Y88 H89 A94 H95T58-W91 VanDerWaalsContact O-CD1 3.28Å; T58-W91 WeakPolarHBondContact OG1-CA 3.25Å; T58-W91 PolarHBondContact OG1-N 3.34Å; W66-W91 HydrophobicContact CH2-CB 4.22Å; W66-W91 HydrophobicContact CH2-CG 4.4Å; A87-W91 WeakPolarHBondContact O-CB 3.46Å; A87-W91 PolarHBondContact O-N 3.49Å; Y88-W91 WeakPolarHBondContact O-CB 3.43Å; Y88-W91 PolarHBondContact O-N 3.08Å; H89-W91 VanDerWaalsContact C-N 3.28Å; H89-W91 PolarHBondContact O-N 3.31Å; W91-A94 PolarHBondContact O-N 2.89Å; W91-H95 AromaticContact CD2-CE1 3.89Å; W91-H95 AromaticContact CD2-ND1 3.9Å; W91-H95 AromaticContact CE2-CE1 3.22Å; W91-H95 AromaticContact CE2-ND1 3.71Å; W91-H95 AromaticContact CH2-CE1 3.98Å; W91-H95 AromaticContact CZ2-CE1 3.28Å; W91-H95 WeakPolarHBondContact CZ2-CE1 3.38Å; W91-H95 AromaticContact CZ2-ND1 3.98Å; W91-H95 AromaticContact NE1-CE1 3.42Å; W91-H95 PolarHBondContact NE1-CE1 3.08Å; W91-H95 PolarHBondContact O-N 3.22Å; W91-H95 VanDerWaalsContact O-N 3.16Å; W91-H95 PolarHBondContact O-ND1 3.11Å
92M98.4Very high98.3Very high112 Ų11259.5 Ų59.555%0.55228%0.283SS*.Hα-helixtrans-65.2-46.3176.4-177.2-173.477.200111.2Y88 H89 S90 A94 H95 G96Y88-M92 PolarHBondContact O-N 3.15Å; H89-M92 WeakPolarHBondContact O-CB 3.45Å; H89-M92 PolarHBondContact O-N 3.15Å; H89-M92 VanDerWaalsContact O-N 3.13Å; S90-M92 PolarHBondContact O-N 3.41Å; M92-A94 VanDerWaalsContact C-N 3.29Å; M92-A94 PolarHBondContact O-N 3.13Å; M92-H95 WeakPolarHBondContact O-CB 3.45Å; M92-H95 PolarHBondContact O-N 3.06Å; M92-G96 PolarHBondContact O-N 3.43Å
93L98.6Very high98.3Very high18 Ų1861 Ų619%0.09430%0.295CS..Hα-helixtrans-63.9-36.9176.4-61.5-173.4000111.7M55 H89 S90 H95 G96 A97 T125 Y177M55-L93 HydrophobicContact CE-CB 4.1Å; M55-L93 HydrophobicContact CG-CB 4.23Å; M55-L93 HydrophobicContact SD-CB 4.14Å; H89-L93 WeakPolarHBondContact O-CG 3.3Å; H89-L93 PolarHBondContact O-N 3.2Å; S90-L93 PolarHBondContact O-N 3.12Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.25Å; L93-G96 WeakPolarHBondContact O-CA 3.49Å; L93-G96 PolarHBondContact O-N 3.26Å; L93-G96 VanDerWaalsContact O-N 3.08Å; L93-A97 PolarHBondContact O-N 3.25Å; L93-T125 HydrophobicContact CD1-CG2 4.4Å; L93-T125 HydrophobicContact CD2-CG2 3.83Å; L93-Y177 HydrophobicContact CD1-CE1 3.99Å; L93-Y177 HydrophobicContact CD1-CE2 4.37Å; L93-Y177 VanDerWaalsContact CD1-OH 3.28Å; L93-Y177 WeakPolarHBondContact CD1-OH 3.46Å
94A98.5Very high98.2Very high0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-63.5-34.1177.600000112.7M55 I59 S90 W91 M92 A97 R98M55-A94 HydrophobicContact CB-CB 3.69Å; M55-A94 HydrophobicContact CG-CB 4.25Å; M55-A94 WeakPolarHBondContact O-CB 3.3Å; I59-A94 HydrophobicContact CB-CB 3.63Å; I59-A94 HydrophobicContact CD1-CB 4.34Å; I59-A94 HydrophobicContact CG1-CB 4.11Å; I59-A94 HydrophobicContact CG2-CB 4.1Å; S90-A94 VanDerWaalsContact O-CB 3.22Å; S90-A94 WeakPolarHBondContact O-CB 3.31Å; S90-A94 PolarHBondContact O-N 3.45Å; W91-A94 PolarHBondContact O-N 2.89Å; M92-A94 VanDerWaalsContact C-N 3.29Å; M92-A94 PolarHBondContact O-N 3.13Å; A94-A97 PolarHBondContact O-N 2.86Å; A94-R98 VanDerWaalsContact O-CB 3.26Å; A94-R98 WeakPolarHBondContact O-CB 3.19Å; A94-R98 PolarHBondContact O-N 3.22Å
95H98.5Very high98.2Very high56 Ų5656.9 Ų56.926%0.25927%0.266SS..Hα-helixtrans-60.3-45.9170.4-83.578.6000111.5I59 W91 M92 L93 R98 I99I59-H95 WeakPolarHBondContact CD1-CE1 3.5Å; I59-H95 WeakPolarHBondContact CD1-ND1 3.13Å; W91-H95 AromaticContact CD2-CE1 3.89Å; W91-H95 AromaticContact CD2-ND1 3.9Å; W91-H95 AromaticContact CE2-CE1 3.22Å; W91-H95 AromaticContact CE2-ND1 3.71Å; W91-H95 AromaticContact CH2-CE1 3.98Å; W91-H95 AromaticContact CZ2-CE1 3.28Å; W91-H95 WeakPolarHBondContact CZ2-CE1 3.38Å; W91-H95 AromaticContact CZ2-ND1 3.98Å; W91-H95 AromaticContact NE1-CE1 3.42Å; W91-H95 PolarHBondContact NE1-CE1 3.08Å; W91-H95 PolarHBondContact O-N 3.22Å; W91-H95 VanDerWaalsContact O-N 3.16Å; W91-H95 PolarHBondContact O-ND1 3.11Å; M92-H95 WeakPolarHBondContact O-CB 3.45Å; M92-H95 PolarHBondContact O-N 3.06Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.25Å; H95-R98 PolarHBondContact NE2-NH2 3.4Å; H95-R98 PolarHBondContact O-N 3.42Å; H95-I99 VanDerWaalsContact O-CG1 3.3Å; H95-I99 WeakPolarHBondContact O-CG1 2.95Å; H95-I99 PolarHBondContact O-N 3.36Å; H95-I99 VanDerWaalsContact O-N 3.11Å
96G98.2Very high98.1Very high26 Ų2657.4 Ų57.427%0.26827%0.267SS..Hα-helixtrans-59.3-48.717500000112.4M92 L93 R98 I99 I100M92-G96 PolarHBondContact O-N 3.43Å; L93-G96 WeakPolarHBondContact O-CA 3.49Å; L93-G96 PolarHBondContact O-N 3.26Å; L93-G96 VanDerWaalsContact O-N 3.08Å; G96-R98 PolarHBondContact O-N 3.17Å; G96-I99 PolarHBondContact O-N 3.09Å; G96-I100 WeakPolarHBondContact O-CG1 3.12Å; G96-I100 PolarHBondContact O-N 2.96Å
97A98.4Very high97.9Very high0 Ų059.5 Ų59.50%028%0.278CS..Hα-helixtrans-58.7-45.417700000112M55 L93 A94 I99 I100 N101 W104 V105 F121M55-A97 HydrophobicContact CE-CB 3.48Å; M55-A97 VanDerWaalsContact CE-CB 3.48Å; L93-A97 PolarHBondContact O-N 3.25Å; A94-A97 PolarHBondContact O-N 2.86Å; A97-I99 VanDerWaalsContact C-N 3.29Å; A97-I99 PolarHBondContact O-N 3.04Å; A97-I100 PolarHBondContact O-N 3.04Å; A97-N101 CarbonylContact O-C 3.54Å; A97-N101 PolarHBondContact O-N 3.03Å; A97-N101 VanDerWaalsContact O-O 3.07Å; A97-W104 HydrophobicContact CB-CE3 4.12Å; A97-V105 HydrophobicContact CB-CG1 3.96Å; A97-F121 HydrophobicContact CB-CD1 4.45Å; A97-F121 HydrophobicContact CB-CE1 3.78Å; A97-F121 HydrophobicContact CB-CZ 3.85Å
98R97.7Very high97.2Very high96 Ų9666.9 Ų66.936%0.36231%0.313SS..Hα-helixtrans-64.2-31.4-179.4-169.5173.667179.8-3.2113.1A94 H95 G96 R102 V105A94-R98 VanDerWaalsContact O-CB 3.26Å; A94-R98 WeakPolarHBondContact O-CB 3.19Å; A94-R98 PolarHBondContact O-N 3.22Å; H95-R98 PolarHBondContact NE2-NH2 3.4Å; H95-R98 PolarHBondContact O-N 3.42Å; G96-R98 PolarHBondContact O-N 3.17Å; R98-R102 HydrophobicContact CG-CG 3.97Å; R98-R102 VanDerWaalsContact O-CG 3.26Å; R98-R102 WeakPolarHBondContact O-CG 3.36Å; R98-V105 HydrophobicContact CB-CG2 3.99Å; R98-V105 HydrophobicContact CG-CG2 4.43Å
99I97.9Very high96.9Very high144 Ų14468.8 Ų68.874%0.73832%0.323SS*.Hα-helixtrans-69.6-41.6175.5-69.7164.3000110.7H95 G96 A97H95-I99 VanDerWaalsContact O-CG1 3.3Å; H95-I99 WeakPolarHBondContact O-CG1 2.95Å; H95-I99 PolarHBondContact O-N 3.36Å; H95-I99 VanDerWaalsContact O-N 3.11Å; G96-I99 PolarHBondContact O-N 3.09Å; A97-I99 VanDerWaalsContact C-N 3.29Å; A97-I99 PolarHBondContact O-N 3.04Å
100I98Very high96.6Very high110 Ų11067.8 Ų67.856%0.56432%0.319SS*.Hα-helixtrans-77.2-54-177.5-62.6166.4000110.8G96 A97 W104 F121G96-I100 WeakPolarHBondContact O-CG1 3.12Å; G96-I100 PolarHBondContact O-N 2.96Å; A97-I100 PolarHBondContact O-N 3.04Å; I100-W104 HydrophobicContact CB-CH2 4.37Å; I100-W104 HydrophobicContact CB-CZ3 4.03Å; I100-W104 HydrophobicContact CG2-CH2 3.58Å; I100-W104 HydrophobicContact CG2-CZ2 4.45Å; I100-W104 HydrophobicContact CG2-CZ3 3.75Å; I100-F121 HydrophobicContact CD1-CD2 3.5Å; I100-F121 HydrophobicContact CD1-CE2 3.69Å
101N97.8Very high96.4Very high58 Ų5873.1 Ų73.131%0.3134%0.339SS..  trans-152.4110.4177.7-170.5-12.6000111.5A97 T103 W104A97-N101 CarbonylContact O-C 3.54Å; A97-N101 PolarHBondContact O-N 3.03Å; A97-N101 VanDerWaalsContact O-O 3.07Å; N101-T103 PolarHBondContact ND2-OG1 3.02Å; N101-T103 PolarHBondContact O-N 2.73Å; N101-T103 PolarHBondContact OD1-N 3.05Å; N101-T103 VanDerWaalsContact OD1-N 3.09Å; N101-T103 PolarHBondContact OD1-OG1 3.36Å; N101-W104 HydrophobicContact CB-CD2 3.74Å; N101-W104 HydrophobicContact CB-CE3 4.19Å; N101-W104 HydrophobicContact CB-CG 4.13Å; N101-W104 HydrophobicContact CB-CH2 4.35Å; N101-W104 HydrophobicContact CB-CZ2 3.89Å; N101-W104 HydrophobicContact CB-CZ3 4.48Å; N101-W104 PolarHBondContact ND2-NE1 3.08Å; N101-W104 WeakPolarHBondContact O-CB 3.28Å; N101-W104 PolarHBondContact O-N 3.05Å
102R97.2Very high96.2Very high190 Ų19068.4 Ų68.472%0.71733%0.325SS*.G310 helixtrans-60.2-28.6-178.6-63.7-174.4178.8-173.30.5113.6R98 W104 V105 E106R98-R102 HydrophobicContact CG-CG 3.97Å; R98-R102 VanDerWaalsContact O-CG 3.26Å; R98-R102 WeakPolarHBondContact O-CG 3.36Å; R102-W104 PolarHBondContact O-N 2.96Å; R102-V105 PolarHBondContact O-N 2.75Å; R102-E106 PolarHBondContact O-N 3.45Å
103T97.6Very high96.1Very high60 Ų6065.4 Ų65.437%0.36831%0.311SS..G310 helixtrans-67-20.3-176.268.10000112.7N101 V105 S110N101-T103 PolarHBondContact ND2-OG1 3.02Å; N101-T103 PolarHBondContact O-N 2.73Å; N101-T103 PolarHBondContact OD1-N 3.05Å; N101-T103 VanDerWaalsContact OD1-N 3.09Å; N101-T103 PolarHBondContact OD1-OG1 3.36Å; T103-V105 VanDerWaalsContact C-N 3.26Å; T103-V105 PolarHBondContact O-N 3.34Å; T103-S110 WeakPolarHBondContact O-CB 3.34Å
104W98Very high96Very high11 Ų1167.7 Ų67.74%0.04232%0.321CS..G310 helixtrans-68.5-24.8178.3-63-11.6000113.7R52 A97 I100 N101 R102 D117 L118 F121R52-W104 PolarHBondContact NH1-O 3.32Å; A97-W104 HydrophobicContact CB-CE3 4.12Å; I100-W104 HydrophobicContact CB-CH2 4.37Å; I100-W104 HydrophobicContact CB-CZ3 4.03Å; I100-W104 HydrophobicContact CG2-CH2 3.58Å; I100-W104 HydrophobicContact CG2-CZ2 4.45Å; I100-W104 HydrophobicContact CG2-CZ3 3.75Å; N101-W104 HydrophobicContact CB-CD2 3.74Å; N101-W104 HydrophobicContact CB-CE3 4.19Å; N101-W104 HydrophobicContact CB-CG 4.13Å; N101-W104 HydrophobicContact CB-CH2 4.35Å; N101-W104 HydrophobicContact CB-CZ2 3.89Å; N101-W104 HydrophobicContact CB-CZ3 4.48Å; N101-W104 PolarHBondContact ND2-NE1 3.08Å; N101-W104 WeakPolarHBondContact O-CB 3.28Å; N101-W104 PolarHBondContact O-N 3.05Å; R102-W104 PolarHBondContact O-N 2.96Å; W104-D117 HydrophobicContact CH2-CB 4.33Å; W104-D117 HydrophobicContact CZ2-CB 3.68Å; W104-L118 HydrophobicContact CB-CD1 3.95Å; W104-L118 HydrophobicContact CB-CD2 4.44Å; W104-L118 HydrophobicContact CD2-CB 4.16Å; W104-L118 HydrophobicContact CD2-CD1 3.67Å; W104-L118 HydrophobicContact CD2-CG 4.39Å; W104-L118 HydrophobicContact CE3-CD1 3.81Å; W104-L118 HydrophobicContact CG-CB 4.34Å; W104-L118 HydrophobicContact CG-CD1 3.76Å; W104-L118 HydrophobicContact CG-CD2 4.3Å; W104-L118 HydrophobicContact CG-CG 4.32Å; W104-L118 HydrophobicContact CZ2-CB 4.34Å; W104-F121 HydrophobicContact CE3-CB 4.42Å; W104-F121 HydrophobicContact CE3-CD1 4.3Å; W104-F121 HydrophobicContact CE3-CG 4.26Å; W104-F121 HydrophobicContact CH2-CB 3.86Å; W104-F121 HydrophobicContact CH2-CG 4.38Å; W104-F121 HydrophobicContact CZ3-CB 3.55Å; W104-F121 HydrophobicContact CZ3-CD1 4.09Å; W104-F121 HydrophobicContact CZ3-CD2 4.01Å; W104-F121 AromaticContact CZ3-CG 3.59Å; W104-F121 HydrophobicContact CZ3-CG 3.59Å
105V97.6Very high95.9Very high3 Ų369.7 Ų69.72%0.01834%0.335CS..G310 helixtrans-130.317.9-175.5-64.60000112.3M55 K56 I59 N60 A97 R98 R102 T103M55-V105 HydrophobicContact CB-CG1 4.11Å; M55-V105 HydrophobicContact CE-CG1 4.31Å; K56-V105 HydrophobicContact CB-CB 4.44Å; K56-V105 WeakPolarHBondContact CG-O 3.44Å; I59-V105 HydrophobicContact CG2-CB 4.12Å; I59-V105 HydrophobicContact CG2-CG2 4.21Å; N60-V105 PolarHBondContact ND2-O 2.8Å; A97-V105 HydrophobicContact CB-CG1 3.96Å; R98-V105 HydrophobicContact CB-CG2 3.99Å; R98-V105 HydrophobicContact CG-CG2 4.43Å; R102-V105 PolarHBondContact O-N 2.75Å; T103-V105 VanDerWaalsContact C-N 3.26Å; T103-V105 PolarHBondContact O-N 3.34Å
106E96.5Very high95.9Very high72 Ų7273.6 Ų73.634%0.33636%0.357SS..  trans-69.6132.4178.2-162.6176.8179.500110.4R102 K109 S110R102-E106 PolarHBondContact O-N 3.45Å; E106-K109 IonicContact OE1-NZ 3.39Å; E106-K109 PolarHBondContact OE1-NZ 2.87Å; E106-K109 IonicContact OE2-NZ 3.78Å; E106-S110 VanDerWaalsContact O-CB 3.24Å; E106-S110 WeakPolarHBondContact O-CB 3.42Å; E106-S110 PolarHBondContact O-N 3.25Å; E106-S110 PolarHBondContact O-OG 2.98Å
107L93.2Very high95.9Very high45 Ų4577.7 Ų77.724%0.23637%0.373CS..THydrogen-bonded Turntrans-60.1141.9178.2-161.267.9000110N60 L61 K109N60-L107 HydrophobicContact CB-CB 4.35Å; N60-L107 HydrophobicContact CB-CD1 4.06Å; L61-L107 HydrophobicContact CD2-CD1 4.27Å; L61-L107 HydrophobicContact CD2-CD2 4.28Å; L107-K109 PolarHBondContact O-N 3.42Å
108E85.3Confident95.9Very high155 Ų15577.8 Ų77.872%0.72437%0.373SS*.THydrogen-bonded Turntrans63.9-34.1-178.8-56.3179.6173.300117.5
109K90.7Very high95.9Very high151 Ų15174.5 Ų74.566%0.65736%0.362SS*.THydrogen-bonded Turntrans-91.3-29.1-174.9-62.1-175.9-164.2153.50114.8E106 L107 R111E106-K109 IonicContact OE1-NZ 3.39Å; E106-K109 PolarHBondContact OE1-NZ 2.87Å; E106-K109 IonicContact OE2-NZ 3.78Å; L107-K109 PolarHBondContact O-N 3.42Å; K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 3.23Å
110S92.9Very high95.9Very high1 Ų174.6 Ų74.61%0.00736%0.357CS..  trans-82.23.7-172.964.50000114.7R52 K56 T103 E106 G112 I113R52-S110 PolarHBondContact NE-O 3.34Å; R52-S110 PolarHBondContact NH1-O 3.4Å; R52-S110 PolarHBondContact NH1-OG 2.93Å; R52-S110 PolarHBondContact NH2-O 3.4Å; R52-S110 VanDerWaalsContact NH2-O 3.15Å; K56-S110 WeakPolarHBondContact CD-OG 3.4Å; K56-S110 WeakPolarHBondContact CG-OG 3.34Å; T103-S110 WeakPolarHBondContact O-CB 3.34Å; E106-S110 VanDerWaalsContact O-CB 3.24Å; E106-S110 WeakPolarHBondContact O-CB 3.42Å; E106-S110 PolarHBondContact O-N 3.25Å; E106-S110 PolarHBondContact O-OG 2.98Å; S110-G112 PolarHBondContact O-N 2.8Å; S110-I113 VanDerWaalsContact O-CG2 3.23Å; S110-I113 WeakPolarHBondContact O-CG2 3.42Å; S110-I113 PolarHBondContact O-N 3.09Å
111R94.5Very high95.9Very high115 Ų11570.5 Ų70.543%0.43434%0.335SS..THydrogen-bonded Turntrans-65.7122.5-175.4-168.1-177.1-136.4165.58.1110.3D74 Y77 K109 I113D74-R111 IonicContact OD2-NH2 2.92Å; D74-R111 PolarHBondContact OD2-NH2 2.79Å; Y77-R111 HydrophobicContact CD1-CG 4.33Å; Y77-R111 VanDerWaalsContact CD1-NE 3.27Å; Y77-R111 VanDerWaalsContact CD2-NE 3.3Å; Y77-R111 HydrophobicContact CE1-CG 3.52Å; Y77-R111 VanDerWaalsContact CE1-NE 3.33Å; Y77-R111 HydrophobicContact CE2-CG 4.11Å; Y77-R111 VanDerWaalsContact CG-CZ 3.47Å; Y77-R111 VanDerWaalsContact CG-NE 3.27Å; Y77-R111 VanDerWaalsContact CZ-CG 3.41Å; Y77-R111 WeakPolarHBondContact OH-CG 3.5Å; K109-R111 VanDerWaalsContact C-N 3.27Å; K109-R111 PolarHBondContact O-N 3.23Å; R111-I113 VanDerWaalsContact C-N 3.26Å; R111-I113 PolarHBondContact O-N 3.49Å
112G95.3Very high96Very high14 Ų1467.7 Ų67.714%0.14432%0.32CS..THydrogen-bonded Turntrans66.823.3178.900000114.6F45 E49 S110 E114F45-G112 WeakPolarHBondContact CZ-O 3.14Å; E49-G112 PolarHBondContact OE1-N 2.84Å; S110-G112 PolarHBondContact O-N 2.8Å; G112-E114 PolarHBondContact O-N 2.8Å
113I96.4Very high96Very high49 Ų4959.3 Ų59.325%0.25129%0.289SS..  trans-70.8126.1177.9-168.4173.6000110.4S110 R111 L118S110-I113 VanDerWaalsContact O-CG2 3.23Å; S110-I113 WeakPolarHBondContact O-CG2 3.42Å; S110-I113 PolarHBondContact O-N 3.09Å; R111-I113 VanDerWaalsContact C-N 3.26Å; R111-I113 PolarHBondContact O-N 3.49Å; I113-L118 HydrophobicContact CG2-CD2 3.71Å
114E96.8Very high96Very high65 Ų6558 Ų5830%0.30428%0.282SS..  trans-116128.6176.2-62.6-175.1112.300109.3Y36 E39 N40 F45 G112Y36-E114 PolarHBondContact OH-OE1 3.36Å; Y36-E114 VanDerWaalsContact OH-OE1 3.07Å; E39-E114 WeakPolarHBondContact CA-OE1 3.39Å; N40-E114 PolarHBondContact N-OE1 3.09Å; F45-E114 HydrophobicContact CE1-CG 4.1Å; G112-E114 PolarHBondContact O-N 2.8Å
115S96.6Very high96.1Very high43 Ų4358.1 Ų58.130%0.30128%0.283SS..  trans-155.3154.1170.964.80000110D117 L118 K119S115-D117 VanDerWaalsContact C-N 3.28Å; S115-D117 PolarHBondContact O-N 2.86Å; S115-L118 PolarHBondContact O-N 3.15Å; S115-L118 WeakPolarHBondContact OG-CB 3.41Å; S115-L118 PolarHBondContact OG-N 3.28Å; S115-K119 PolarHBondContact O-N 2.94Å
116L97.1Very high96.1Very high137 Ų13758 Ų5872%0.71728%0.283SS*.Hα-helixtrans-63-38.2177.8-173.264.3000111.5K119 F120L116-K119 WeakPolarHBondContact O-CB 3.19Å; L116-K119 PolarHBondContact O-N 3.27Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.36Å
117D98Very high96.2Very high113 Ų11356 Ų5660%0.60427%0.274SS*.Hα-helixtrans-67.2-41.2-179.8-60.3-31.1000112W104 S115 F120 F121W104-D117 HydrophobicContact CH2-CB 4.33Å; W104-D117 HydrophobicContact CZ2-CB 3.68Å; S115-D117 VanDerWaalsContact C-N 3.28Å; S115-D117 PolarHBondContact O-N 2.86Å; D117-F120 PolarHBondContact O-N 2.97Å; D117-F121 PolarHBondContact O-N 3.42Å
118L98.1Very high96.4Very high1 Ų159.7 Ų59.71%0.00529%0.289CS..Hα-helixtrans-65.6-42.8174.3179.755.1000110.8Y48 R52 W104 I113 S115 F120 F121 M122Y48-L118 WeakPolarHBondContact OH-CG 3.04Å; Y48-L118 PolarHBondContact OH-O 2.68Å; Y48-L118 VanDerWaalsContact OH-O 3.09Å; R52-L118 HydrophobicContact CG-CD2 4.25Å; W104-L118 HydrophobicContact CB-CD1 3.95Å; W104-L118 HydrophobicContact CB-CD2 4.44Å; W104-L118 HydrophobicContact CD2-CB 4.16Å; W104-L118 HydrophobicContact CD2-CD1 3.67Å; W104-L118 HydrophobicContact CD2-CG 4.39Å; W104-L118 HydrophobicContact CE3-CD1 3.81Å; W104-L118 HydrophobicContact CG-CB 4.34Å; W104-L118 HydrophobicContact CG-CD1 3.76Å; W104-L118 HydrophobicContact CG-CD2 4.3Å; W104-L118 HydrophobicContact CG-CG 4.32Å; W104-L118 HydrophobicContact CZ2-CB 4.34Å; I113-L118 HydrophobicContact CG2-CD2 3.71Å; S115-L118 PolarHBondContact O-N 3.15Å; S115-L118 WeakPolarHBondContact OG-CB 3.41Å; S115-L118 PolarHBondContact OG-N 3.28Å; L118-F120 VanDerWaalsContact C-N 3.31Å; L118-F120 PolarHBondContact O-N 3.42Å; L118-F121 HydrophobicContact CD1-CD1 4.39Å; L118-F121 PolarHBondContact O-N 3.48Å; L118-M122 HydrophobicContact CD1-CG 3.75Å; L118-M122 HydrophobicContact CD1-SD 4.45Å; L118-M122 HydrophobicContact CG-CG 4.25Å; L118-M122 WeakPolarHBondContact O-CB 3.18Å; L118-M122 VanDerWaalsContact O-CG 3.23Å; L118-M122 WeakPolarHBondContact O-CG 3.5Å; L118-M122 PolarHBondContact O-N 2.73Å
119K98.2Very high97Very high28 Ų2852.9 Ų52.912%0.12226%0.258CS..Hα-helixtrans-55.5-48.1173.9-175.5-179.5-173158.90110.8S34 Y36 E39 Y48 S115 L116 M122 R123S34-K119 WeakPolarHBondContact O-CE 3.44Å; S34-K119 PolarHBondContact O-NZ 3.16Å; Y36-K119 HydrophobicContact CD1-CD 4.01Å; Y36-K119 HydrophobicContact CD1-CG 4.04Å; Y36-K119 HydrophobicContact CE1-CB 4.35Å; Y36-K119 HydrophobicContact CE1-CD 3.82Å; Y36-K119 HydrophobicContact CE1-CG 3.94Å; E39-K119 IonicContact OE1-NZ 3.7Å; E39-K119 PolarHBondContact OE1-NZ 3.4Å; E39-K119 IonicContact OE2-NZ 3.42Å; Y48-K119 WeakPolarHBondContact OH-CA 3.5Å; Y48-K119 PolarHBondContact OH-N 2.96Å; Y48-K119 VanDerWaalsContact OH-N 3.15Å; S115-K119 PolarHBondContact O-N 2.94Å; L116-K119 WeakPolarHBondContact O-CB 3.19Å; L116-K119 PolarHBondContact O-N 3.27Å; K119-M122 PolarHBondContact O-N 2.72Å; K119-R123 HydrophobicContact CG-CG 4.42Å; K119-R123 WeakPolarHBondContact O-CB 3.48Å; K119-R123 VanDerWaalsContact O-CG 3.23Å; K119-R123 WeakPolarHBondContact O-CG 3.49Å; K119-R123 PolarHBondContact O-N 3.36Å
120F98.2Very high97.4Very high146 Ų14645.7 Ų45.764%0.6423%0.227SC*.Hα-helixtrans-59.7-50.6177.8179.4-100.3000111.8L116 D117 L118 M122 R123 C124L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.36Å; D117-F120 PolarHBondContact O-N 2.97Å; L118-F120 VanDerWaalsContact C-N 3.31Å; L118-F120 PolarHBondContact O-N 3.42Å; F120-M122 PolarHBondContact O-N 3.11Å; F120-R123 PolarHBondContact O-N 3.25Å; F120-C124 VanDerWaalsContact CZ-SG 3.6Å; F120-C124 PolarHBondContact O-N 3.08Å; F120-C124 PolarHBondContact O-SG 3.03Å; F120-C124 VanDerWaalsContact O-SG 3.37Å
121F98.5Very high97.6Very high23 Ų2349 Ų4910%0.10124%0.243CC..Hα-helixtrans-54.6-51.5177.4170.6-94.6000111.8M55 A97 I100 W104 D117 L118 R123 C124 T125M55-F121 HydrophobicContact CE-CE1 3.62Å; M55-F121 HydrophobicContact CE-CZ 4.29Å; A97-F121 HydrophobicContact CB-CD1 4.45Å; A97-F121 HydrophobicContact CB-CE1 3.78Å; A97-F121 HydrophobicContact CB-CZ 3.85Å; I100-F121 HydrophobicContact CD1-CD2 3.5Å; I100-F121 HydrophobicContact CD1-CE2 3.69Å; W104-F121 HydrophobicContact CE3-CB 4.42Å; W104-F121 HydrophobicContact CE3-CD1 4.3Å; W104-F121 HydrophobicContact CE3-CG 4.26Å; W104-F121 HydrophobicContact CH2-CB 3.86Å; W104-F121 HydrophobicContact CH2-CG 4.38Å; W104-F121 HydrophobicContact CZ3-CB 3.55Å; W104-F121 HydrophobicContact CZ3-CD1 4.09Å; W104-F121 HydrophobicContact CZ3-CD2 4.01Å; W104-F121 AromaticContact CZ3-CG 3.59Å; W104-F121 HydrophobicContact CZ3-CG 3.59Å; D117-F121 PolarHBondContact O-N 3.42Å; L118-F121 HydrophobicContact CD1-CD1 4.39Å; L118-F121 PolarHBondContact O-N 3.48Å; F121-R123 PolarHBondContact O-N 3.13Å; F121-C124 WeakPolarHBondContact O-CB 3.41Å; F121-C124 PolarHBondContact O-N 3.42Å; F121-C124 VanDerWaalsContact O-N 3.16Å; F121-T125 HydrophobicContact CD1-CG2 4.37Å; F121-T125 HydrophobicContact CE1-CG2 3.79Å; F121-T125 HydrophobicContact CE2-CG2 4.03Å; F121-T125 HydrophobicContact CZ-CG2 3.62Å; F121-T125 WeakPolarHBondContact O-CG2 3.47Å; F121-T125 PolarHBondContact O-N 3.45Å
122M98.5Very high97.6Very high0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-63.9-39.2-177.9-70.8-66.9-82.200111.7Y48 Q51 R52 M55 L118 K119 F120 C124 T125 V126 F175Y48-M122 HydrophobicContact CE2-CB 3.54Å; Y48-M122 HydrophobicContact CE2-CG 3.95Å; Y48-M122 WeakPolarHBondContact OH-CB 3.35Å; Y48-M122 VanDerWaalsContact OH-CG 3.26Å; Y48-M122 WeakPolarHBondContact OH-CG 3.3Å; Q51-M122 HydrophobicContact CB-CE 4.1Å; R52-M122 HydrophobicContact CB-CE 3.93Å; M55-M122 HydrophobicContact CE-SD 4.1Å; M55-M122 HydrophobicContact SD-CE 3.95Å; M55-M122 HydrophobicContact SD-SD 3.55Å; L118-M122 HydrophobicContact CD1-CG 3.75Å; L118-M122 HydrophobicContact CD1-SD 4.45Å; L118-M122 HydrophobicContact CG-CG 4.25Å; L118-M122 WeakPolarHBondContact O-CB 3.18Å; L118-M122 VanDerWaalsContact O-CG 3.23Å; L118-M122 WeakPolarHBondContact O-CG 3.5Å; L118-M122 PolarHBondContact O-N 2.73Å; K119-M122 PolarHBondContact O-N 2.72Å; F120-M122 PolarHBondContact O-N 3.11Å; M122-C124 VanDerWaalsContact C-N 3.35Å; M122-T125 WeakPolarHBondContact CA-OG1 3.35Å; M122-T125 PolarHBondContact O-N 3.27Å; M122-T125 PolarHBondContact O-OG1 3.33Å; M122-V126 PolarHBondContact O-N 2.89Å; M122-F175 VanDerWaalsContact C-CE2 3.46Å; M122-F175 HydrophobicContact CB-CE2 3.62Å; M122-F175 HydrophobicContact CB-CZ 3.56Å; M122-F175 HydrophobicContact CE-CE1 3.62Å; M122-F175 HydrophobicContact CE-CZ 3.63Å; M122-F175 HydrophobicContact CG-CZ 4.37Å; M122-F175 VanDerWaalsContact O-CE2 3.23Å; M122-F175 WeakPolarHBondContact O-CE2 3.45Å; M122-F175 WeakPolarHBondContact O-CZ 3.34Å; M122-F175 HydrophobicContact SD-CZ 4.35Å
123R98.2Very high97.8Very high14 Ų1451.2 Ų51.25%0.05325%0.254CS..Hα-helixtrans-65.7-39.1174.6-69.3-63.1-162.5-159.8-1.1111.5S32 S34 K119 F120 F121 T125 V126 L127 F172 V173S32-R123 PolarHBondContact O-NE 3.42Å; S34-R123 PolarHBondContact O-NH2 3.23Å; K119-R123 HydrophobicContact CG-CG 4.42Å; K119-R123 WeakPolarHBondContact O-CB 3.48Å; K119-R123 VanDerWaalsContact O-CG 3.23Å; K119-R123 WeakPolarHBondContact O-CG 3.49Å; K119-R123 PolarHBondContact O-N 3.36Å; F120-R123 PolarHBondContact O-N 3.25Å; F121-R123 PolarHBondContact O-N 3.13Å; R123-T125 VanDerWaalsContact C-N 3.35Å; R123-T125 PolarHBondContact O-N 2.84Å; R123-V126 PolarHBondContact O-N 3.13Å; R123-L127 PolarHBondContact O-N 2.48Å; R123-L127 VanDerWaalsContact O-N 3.13Å; R123-F172 PolarHBondContact NH1-O 3.23Å; R123-V173 PolarHBondContact NH1-O 3.21Å; R123-V173 PolarHBondContact NH2-O 2.75Å
124C98.2Very high97.8Very high33 Ų3349.7 Ų49.722%0.22325%0.246CC..Hα-helixtrans-62.6-40.2174.9-72.40000112F120 F121 M122 V126 L127 F128F120-C124 VanDerWaalsContact CZ-SG 3.6Å; F120-C124 PolarHBondContact O-N 3.08Å; F120-C124 PolarHBondContact O-SG 3.03Å; F120-C124 VanDerWaalsContact O-SG 3.37Å; F121-C124 WeakPolarHBondContact O-CB 3.41Å; F121-C124 PolarHBondContact O-N 3.42Å; F121-C124 VanDerWaalsContact O-N 3.16Å; M122-C124 VanDerWaalsContact C-N 3.35Å; C124-V126 VanDerWaalsContact C-N 3.35Å; C124-V126 PolarHBondContact O-N 3.24Å; C124-L127 PolarHBondContact O-N 2.88Å; C124-F128 HydrophobicContact CB-CD2 4.31Å; C124-F128 HydrophobicContact CB-CE2 4.39Å; C124-F128 WeakPolarHBondContact O-CB 3.46Å; C124-F128 WeakPolarHBondContact O-CD2 3.38Å; C124-F128 PolarHBondContact O-N 3.01Å
125T98.5Very high97.9Very high12 Ų1246.9 Ų46.97%0.07423%0.233CC..Hα-helixtrans-65.2-37.1-179.952.40000112.5L93 F121 M122 R123 S129 Y177L93-T125 HydrophobicContact CD1-CG2 4.4Å; L93-T125 HydrophobicContact CD2-CG2 3.83Å; F121-T125 HydrophobicContact CD1-CG2 4.37Å; F121-T125 HydrophobicContact CE1-CG2 3.79Å; F121-T125 HydrophobicContact CE2-CG2 4.03Å; F121-T125 HydrophobicContact CZ-CG2 3.62Å; F121-T125 WeakPolarHBondContact O-CG2 3.47Å; F121-T125 PolarHBondContact O-N 3.45Å; M122-T125 WeakPolarHBondContact CA-OG1 3.35Å; M122-T125 PolarHBondContact O-N 3.27Å; M122-T125 PolarHBondContact O-OG1 3.33Å; R123-T125 VanDerWaalsContact C-N 3.35Å; R123-T125 PolarHBondContact O-N 2.84Å; T125-S129 WeakPolarHBondContact O-CB 3.11Å; T125-S129 PolarHBondContact O-N 3.5Å; T125-S129 PolarHBondContact O-OG 3.4Å; T125-Y177 WeakPolarHBondContact CB-OH 3.49Å; T125-Y177 PolarHBondContact OG1-OH 3.19Å
126V98.4Very high98Very high1 Ų148.2 Ų48.21%0.00624%0.236CC..Hα-helixtrans-63.4-47.2172.2177.40000110.7M122 R123 C124 S129 D130 D171 F172 F175 Y177M122-V126 PolarHBondContact O-N 2.89Å; R123-V126 PolarHBondContact O-N 3.13Å; C124-V126 VanDerWaalsContact C-N 3.35Å; C124-V126 PolarHBondContact O-N 3.24Å; V126-S129 PolarHBondContact O-N 2.9Å; V126-D130 WeakPolarHBondContact O-CB 3.44Å; V126-D130 PolarHBondContact O-N 3.07Å; V126-D171 HydrophobicContact CG1-CB 4.33Å; V126-F172 HydrophobicContact CG1-CD1 4.28Å; V126-F172 HydrophobicContact CG1-CE1 4.12Å; V126-F175 HydrophobicContact CG2-CD2 4.23Å; V126-F175 HydrophobicContact CG2-CE1 4.41Å; V126-F175 HydrophobicContact CG2-CE2 3.62Å; V126-F175 HydrophobicContact CG2-CZ 3.71Å; V126-Y177 HydrophobicContact CB-CD1 4.5Å; V126-Y177 HydrophobicContact CB-CE1 4.16Å; V126-Y177 HydrophobicContact CG2-CD1 3.94Å; V126-Y177 HydrophobicContact CG2-CE1 3.51Å; V126-Y177 HydrophobicContact CG2-CE2 4.3Å
127L98Very high98Very high29 Ų2941.7 Ų41.715%0.15220%0.202CC..Hα-helixtrans-62.3-45.3179.4-175.266.8000112.5I25 Q28 C29 R123 C124 S129 D130 M131 F172I25-L127 HydrophobicContact CG2-CD1 4.48Å; Q28-L127 HydrophobicContact CB-CD1 4.32Å; C29-L127 VanDerWaalsContact SG-CD2 3.58Å; R123-L127 PolarHBondContact O-N 2.48Å; R123-L127 VanDerWaalsContact O-N 3.13Å; C124-L127 PolarHBondContact O-N 2.88Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 3.32Å; L127-D130 PolarHBondContact O-N 3.29Å; L127-M131 HydrophobicContact CG-SD 4.41Å; L127-M131 VanDerWaalsContact O-CG 3.29Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 3.42Å; L127-F172 HydrophobicContact CD1-CE1 3.98Å
128F97.7Very high98Very high124 Ų12436.3 Ų36.354%0.54417%0.173SC..Hα-helixtrans-60.9-43.4175.9-85.7-67.8000111.4C124 M131 F132C124-F128 HydrophobicContact CB-CD2 4.31Å; C124-F128 HydrophobicContact CB-CE2 4.39Å; C124-F128 WeakPolarHBondContact O-CB 3.46Å; C124-F128 WeakPolarHBondContact O-CD2 3.38Å; C124-F128 PolarHBondContact O-N 3.01Å; F128-M131 PolarHBondContact O-N 2.83Å; F128-F132 HydrophobicContact CD1-CE2 4.38Å; F128-F132 VanDerWaalsContact O-CD2 3.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.17Å; F128-F132 PolarHBondContact O-N 2.86Å
129S98.1Very high98Very high12 Ų1237.9 Ų37.98%0.08418%0.181CC..Hα-helixtrans-61.5-45.8177.2-58.70000111.6T125 V126 L127 M131 F132 L133T125-S129 WeakPolarHBondContact O-CB 3.11Å; T125-S129 PolarHBondContact O-N 3.5Å; T125-S129 PolarHBondContact O-OG 3.4Å; V126-S129 PolarHBondContact O-N 2.9Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 3.32Å; S129-M131 PolarHBondContact O-N 3.45Å; S129-F132 PolarHBondContact O-N 3.29Å; S129-L133 VanDerWaalsContact O-CB 3.3Å; S129-L133 WeakPolarHBondContact O-CB 3.26Å; S129-L133 PolarHBondContact O-N 3.35Å
130D98.4Very high97.9Very high0 Ų039.7 Ų39.70%019%0.192CC..Hα-helixtrans-58.2-47.3176.1169.556.2000112.3Q28 V126 L127 F132 F134 L135 Y167 F172 C179Q28-D130 VanDerWaalsContact CD-OD2 3.25Å; Q28-D130 PolarHBondContact NE2-OD2 3.47Å; Q28-D130 PolarHBondContact OE1-OD2 2.86Å; V126-D130 WeakPolarHBondContact O-CB 3.44Å; V126-D130 PolarHBondContact O-N 3.07Å; L127-D130 PolarHBondContact O-N 3.29Å; D130-F132 VanDerWaalsContact C-N 3.32Å; D130-F132 PolarHBondContact O-N 3.01Å; D130-F134 CarbonylContact O-C 3.59Å; D130-F134 WeakPolarHBondContact O-CA 3.45Å; D130-F134 PolarHBondContact O-N 2.97Å; D130-F134 WeakPolarHBondContact OD1-CB 3.3Å; D130-F134 WeakPolarHBondContact OD1-CD1 3.42Å; D130-L135 PolarHBondContact O-N 3.42Å; D130-L135 WeakPolarHBondContact OD2-CD1 3.41Å; D130-L135 WeakPolarHBondContact OD2-CG 3.15Å; D130-Y167 PolarHBondContact OD1-OH 2.9Å; D130-F172 HydrophobicContact CB-CE1 4.45Å; D130-F172 HydrophobicContact CB-CZ 3.85Å; D130-C179 HydrophobicContact CB-CB 4Å
131M97.1Very high97.9Very high71 Ų7134.9 Ų34.935%0.3517%0.17SC..Iπ-helixtrans-56.5-44.3-177.1-74.2176.869.800113I25 L127 F128 S129 L135 L136I25-M131 HydrophobicContact CD1-CE 4.43Å; L127-M131 HydrophobicContact CG-SD 4.41Å; L127-M131 VanDerWaalsContact O-CG 3.29Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 3.42Å; F128-M131 PolarHBondContact O-N 2.83Å; S129-M131 PolarHBondContact O-N 3.45Å; M131-L135 HydrophobicContact CG-CD1 4.21Å; M131-L136 PolarHBondContact O-N 3.41Å; M131-L136 VanDerWaalsContact O-N 3.16Å
132F96.2Very high97.8Very high128 Ų12833.8 Ų33.856%0.56117%0.165SC*.Iπ-helixtrans-85.7-39-177.2-70.5-73.4000113.3F128 S129 D130 W187F128-F132 HydrophobicContact CD1-CE2 4.38Å; F128-F132 VanDerWaalsContact O-CD2 3.26Å; F128-F132 WeakPolarHBondContact O-CD2 3.17Å; F128-F132 PolarHBondContact O-N 2.86Å; S129-F132 PolarHBondContact O-N 3.29Å; D130-F132 VanDerWaalsContact C-N 3.32Å; D130-F132 PolarHBondContact O-N 3.01Å; F132-W187 PolarHBondContact O-NE1 2.95Å
133L97.7Very high97.7Very high47 Ų4737.1 Ų37.125%0.24618%0.183CC..Iπ-helixtrans-94.6-29.4-169.7-62170.8000111.9S129 P137 V180 G183 L184S129-L133 VanDerWaalsContact O-CB 3.3Å; S129-L133 WeakPolarHBondContact O-CB 3.26Å; S129-L133 PolarHBondContact O-N 3.35Å; L133-P137 WeakPolarHBondContact O-CD 3.3Å; L133-P137 WeakPolarHBondContact O-CG 3.24Å; L133-V180 HydrophobicContact CD1-CB 4.18Å; L133-V180 HydrophobicContact CD1-CG1 3.69Å; L133-V180 HydrophobicContact CD1-CG2 4.03Å; L133-G183 CarbonylContact O-C 3.58Å; L133-G183 WeakPolarHBondContact O-CA 3.29Å; L133-G183 VanDerWaalsContact O-O 3.1Å; L133-L184 HydrophobicContact CD2-CD2 4.33Å
134F98.3Very high97.5Very high17 Ų1738.7 Ų38.78%0.07520%0.196CC..Iπ-helixtrans-114.7-49.8-177.4-172.4-104.5000113.7D130 P137 S138 I161 Y167 C179 L182D130-F134 CarbonylContact O-C 3.59Å; D130-F134 WeakPolarHBondContact O-CA 3.45Å; D130-F134 PolarHBondContact O-N 2.97Å; D130-F134 WeakPolarHBondContact OD1-CB 3.3Å; D130-F134 WeakPolarHBondContact OD1-CD1 3.42Å; F134-P137 WeakPolarHBondContact O-CD 3.22Å; F134-P137 WeakPolarHBondContact O-CG 3.31Å; F134-S138 VanDerWaalsContact O-CB 3.26Å; F134-S138 WeakPolarHBondContact O-CB 3.32Å; F134-S138 PolarHBondContact O-N 2.99Å; F134-S138 VanDerWaalsContact O-N 3.09Å; F134-S138 PolarHBondContact O-OG 3.2Å; F134-I161 HydrophobicContact CE1-CG2 4.19Å; F134-I161 HydrophobicContact CZ-CG2 3.78Å; F134-Y167 AromaticContact CD1-CE1 3.74Å; F134-Y167 HydrophobicContact CD1-CE1 3.74Å; F134-Y167 HydrophobicContact CD1-CE2 4.4Å; F134-Y167 AromaticContact CD1-CZ 3.67Å; F134-Y167 AromaticContact CE1-CD1 3.92Å; F134-Y167 HydrophobicContact CE1-CD1 3.92Å; F134-Y167 AromaticContact CE1-CE1 3.51Å; F134-Y167 HydrophobicContact CE1-CE1 3.51Å; F134-Y167 HydrophobicContact CE1-CE2 4.38Å; F134-Y167 HydrophobicContact CE1-CG 4.49Å; F134-Y167 AromaticContact CE1-CZ 3.8Å; F134-Y167 HydrophobicContact CZ-CE1 4.43Å; F134-C179 HydrophobicContact CB-CB 4.19Å; F134-L182 HydrophobicContact CD2-CB 4.16Å; F134-L182 HydrophobicContact CE2-CB 4.1Å
135L98Very high97.3Very high5 Ų538.8 Ų38.83%0.02619%0.192CC..Iπ-helixtrans-66.2-46.9-178.5-63.2-173.2000112.1I25 D130 M131 S138 I139 T162I25-L135 HydrophobicContact CD1-CD1 4.31Å; I25-L135 HydrophobicContact CG1-CD1 3.75Å; D130-L135 PolarHBondContact O-N 3.42Å; D130-L135 WeakPolarHBondContact OD2-CD1 3.41Å; D130-L135 WeakPolarHBondContact OD2-CG 3.15Å; M131-L135 HydrophobicContact CG-CD1 4.21Å; L135-S138 WeakPolarHBondContact O-CB 3.28Å; L135-S138 PolarHBondContact O-N 2.9Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3.41Å; L135-T162 HydrophobicContact CD2-CG2 3.53Å
136L97.7Very high97Very high71 Ų7143.6 Ų43.637%0.37222%0.224SC..Hα-helixtrans-58.4-53-178.9-177.358.2000113.3M131 S138 I139 L140 W187M131-L136 PolarHBondContact O-N 3.41Å; M131-L136 VanDerWaalsContact O-N 3.16Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3.1Å; L136-I139 WeakPolarHBondContact O-CB 3.24Å; L136-I139 PolarHBondContact O-N 2.67Å; L136-L140 WeakPolarHBondContact O-CG 3.14Å; L136-L140 PolarHBondContact O-N 2.96Å; L136-W187 HydrophobicContact CB-CZ2 4.49Å; L136-W187 HydrophobicContact CD2-CH2 4.32Å; L136-W187 HydrophobicContact CD2-CZ2 3.87Å; L136-W187 HydrophobicContact CG-CH2 4.38Å; L136-W187 HydrophobicContact CG-CZ2 3.99Å
137P98Very high96.8Very high0 Ų047.3 Ų47.30%025%0.25CC..Hα-helixtrans-67.1-28.2175.727.3-35.2000112.7L133 F134 I139 L140 Y141 M186 W187 V190L133-P137 WeakPolarHBondContact O-CD 3.3Å; L133-P137 WeakPolarHBondContact O-CG 3.24Å; F134-P137 WeakPolarHBondContact O-CD 3.22Å; F134-P137 WeakPolarHBondContact O-CG 3.31Å; P137-I139 VanDerWaalsContact C-N 3.34Å; P137-I139 PolarHBondContact O-N 3.43Å; P137-L140 PolarHBondContact O-N 3.44Å; P137-Y141 VanDerWaalsContact O-CB 3.23Å; P137-Y141 WeakPolarHBondContact O-CB 3.45Å; P137-Y141 PolarHBondContact O-N 2.94Å; P137-M186 HydrophobicContact CB-CB 4.2Å; P137-M186 HydrophobicContact CB-CG 3.95Å; P137-M186 HydrophobicContact CG-CB 4.07Å; P137-M186 HydrophobicContact CG-CG 4.12Å; P137-W187 HydrophobicContact CB-CD2 3.8Å; P137-W187 HydrophobicContact CB-CE3 4.33Å; P137-W187 HydrophobicContact CB-CG 3.86Å; P137-W187 HydrophobicContact CB-CZ2 4.47Å; P137-W187 HydrophobicContact CG-CD2 4.23Å; P137-W187 HydrophobicContact CG-CG 4.02Å; P137-V190 HydrophobicContact CB-CG2 4.25Å; P137-V190 WeakPolarHBondContact O-CG2 3.36Å
138S98.1Very high96.7Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-62.8-40.6171.8-62.80000112.2F134 L135 L136 V142F134-S138 VanDerWaalsContact O-CB 3.26Å; F134-S138 WeakPolarHBondContact O-CB 3.32Å; F134-S138 PolarHBondContact O-N 2.99Å; F134-S138 VanDerWaalsContact O-N 3.09Å; F134-S138 PolarHBondContact O-OG 3.2Å; L135-S138 WeakPolarHBondContact O-CB 3.28Å; L135-S138 PolarHBondContact O-N 2.9Å; L136-S138 VanDerWaalsContact C-N 3.28Å; L136-S138 PolarHBondContact O-N 3.1Å; S138-V142 WeakPolarHBondContact O-CG2 3.23Å; S138-V142 PolarHBondContact O-N 3.19Å
139I97.7Very high96.4Very high34 Ų3449.5 Ų49.517%0.17426%0.258CS..Hα-helixtrans-62.7-50.3172.8-67.2166.4000109.9F17 V21 L135 L136 P137 Y141 V142 L143 Y158F17-I139 HydrophobicContact CE1-CG1 4.14Å; F17-I139 HydrophobicContact CE1-CG2 3.87Å; F17-I139 HydrophobicContact CZ-CG1 4.36Å; F17-I139 HydrophobicContact CZ-CG2 4.18Å; V21-I139 HydrophobicContact CG1-CD1 4.25Å; V21-I139 HydrophobicContact CG2-CD1 3.84Å; V21-I139 HydrophobicContact CG2-CG1 4.18Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 3.41Å; L136-I139 WeakPolarHBondContact O-CB 3.24Å; L136-I139 PolarHBondContact O-N 2.67Å; P137-I139 VanDerWaalsContact C-N 3.34Å; P137-I139 PolarHBondContact O-N 3.43Å; I139-Y141 VanDerWaalsContact C-N 3.32Å; I139-Y141 PolarHBondContact O-N 3.38Å; I139-V142 VanDerWaalsContact O-CG2 3.31Å; I139-V142 WeakPolarHBondContact O-CG2 3.38Å; I139-V142 PolarHBondContact O-N 2.96Å; I139-L143 HydrophobicContact CG2-CD1 3.65Å; I139-L143 HydrophobicContact CG2-CG 4.23Å; I139-L143 WeakPolarHBondContact O-CB 3.3Å; I139-L143 VanDerWaalsContact O-CG 3.23Å; I139-L143 WeakPolarHBondContact O-CG 3.19Å; I139-L143 PolarHBondContact O-N 3.21Å; I139-Y158 HydrophobicContact CD1-CE2 4.41Å; I139-Y158 HydrophobicContact CG1-CD2 4.09Å; I139-Y158 HydrophobicContact CG1-CE2 3.51Å
140L97.1Very high96.2Very high67 Ų6751.2 Ų51.235%0.35127%0.27SS..Hα-helixtrans-59.1-45.7-179.3-66.6177.3000111.3L136 P137 L143 S144 W187 V190L136-L140 WeakPolarHBondContact O-CG 3.14Å; L136-L140 PolarHBondContact O-N 2.96Å; P137-L140 PolarHBondContact O-N 3.44Å; L140-L143 PolarHBondContact O-N 2.76Å; L140-S144 WeakPolarHBondContact O-CB 3.47Å; L140-S144 PolarHBondContact O-N 3.21Å; L140-S144 PolarHBondContact O-OG 3.08Å; L140-W187 HydrophobicContact CD1-CH2 3.53Å; L140-W187 HydrophobicContact CD1-CZ2 4.45Å; L140-W187 HydrophobicContact CD1-CZ3 3.65Å; L140-V190 HydrophobicContact CB-CG1 4.21Å
141Y97.5Very high95.9Very high45 Ų4553.6 Ų53.618%0.17628%0.282CS..Hα-helixtrans-55.4-55178.5179.8-104.1000112.3P137 I139 L143 S144 K145 I161 M186 T189 V190 E193P137-Y141 VanDerWaalsContact O-CB 3.23Å; P137-Y141 WeakPolarHBondContact O-CB 3.45Å; P137-Y141 PolarHBondContact O-N 2.94Å; I139-Y141 VanDerWaalsContact C-N 3.32Å; I139-Y141 PolarHBondContact O-N 3.38Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 3.46Å; Y141-S144 PolarHBondContact O-N 2.74Å; Y141-S144 PolarHBondContact O-OG 3.35Å; Y141-K145 HydrophobicContact CE2-CD 4.03Å; Y141-K145 VanDerWaalsContact O-CB 3.3Å; Y141-K145 WeakPolarHBondContact O-CB 3.26Å; Y141-K145 PolarHBondContact O-N 3.27Å; Y141-K145 PolarHBondContact OH-NZ 3.4Å; Y141-I161 HydrophobicContact CD1-CD1 4.23Å; Y141-I161 HydrophobicContact CE1-CD1 4.48Å; Y141-M186 HydrophobicContact CD1-CE 3.48Å; Y141-M186 VanDerWaalsContact CD1-CE 3.48Å; Y141-M186 HydrophobicContact CD2-CE 3.98Å; Y141-M186 HydrophobicContact CE1-CE 4.23Å; Y141-M186 HydrophobicContact CG-CE 3.33Å; Y141-T189 HydrophobicContact CD2-CG2 4.35Å; Y141-T189 HydrophobicContact CE2-CG2 4.01Å; Y141-V190 HydrophobicContact CD2-CG2 4.29Å; Y141-E193 HydrophobicContact CE2-CG 4.41Å
142V97.2Very high95.7Very high0 Ų058.6 Ų58.60%030%0.302CS..Hα-helixtrans-67.7-31.2-178.1-60.20000112.3F17 S138 I139 L148 K154 I161F17-V142 HydrophobicContact CE2-CG2 3.8Å; F17-V142 HydrophobicContact CZ-CG2 3.75Å; S138-V142 WeakPolarHBondContact O-CG2 3.23Å; S138-V142 PolarHBondContact O-N 3.19Å; I139-V142 VanDerWaalsContact O-CG2 3.31Å; I139-V142 WeakPolarHBondContact O-CG2 3.38Å; I139-V142 PolarHBondContact O-N 2.96Å; V142-L148 HydrophobicContact CB-CD1 4.29Å; V142-K154 HydrophobicContact CB-CB 4.37Å; V142-K154 VanDerWaalsContact O-CD 3.25Å; V142-K154 WeakPolarHBondContact O-CD 3.41Å; V142-K154 WeakPolarHBondContact O-CE 3.39Å; V142-K154 VanDerWaalsContact O-CG 3.32Å; V142-K154 WeakPolarHBondContact O-CG 3.49Å; V142-I161 HydrophobicContact CG1-CD1 4.27Å
143L95Very high95.7Very high70 Ų7056.3 Ų56.337%0.36629%0.293SS..Hα-helixtrans-73.9-37.1179.2-70.2-177000112F17 I139 L140 Y141 M151 K154F17-L143 HydrophobicContact CE2-CD2 4.31Å; F17-L143 HydrophobicContact CZ-CD2 4.38Å; F17-L143 HydrophobicContact CZ-CG 4.47Å; I139-L143 HydrophobicContact CG2-CD1 3.65Å; I139-L143 HydrophobicContact CG2-CG 4.23Å; I139-L143 WeakPolarHBondContact O-CB 3.3Å; I139-L143 VanDerWaalsContact O-CG 3.23Å; I139-L143 WeakPolarHBondContact O-CG 3.19Å; I139-L143 PolarHBondContact O-N 3.21Å; L140-L143 PolarHBondContact O-N 2.76Å; Y141-L143 VanDerWaalsContact C-N 3.28Å; Y141-L143 PolarHBondContact O-N 3.46Å; L143-M151 HydrophobicContact CD2-SD 4.29Å; L143-K154 HydrophobicContact CD2-CD 4.18Å; L143-K154 PolarHBondContact O-NZ 2.76Å
144S93.8Very high95.6Very high47 Ų4755.9 Ų55.933%0.32929%0.289SS..Hα-helixtrans-84.3-20.4179.469.60000113.7L140 Y141 P146L140-S144 WeakPolarHBondContact O-CB 3.47Å; L140-S144 PolarHBondContact O-N 3.21Å; L140-S144 PolarHBondContact O-OG 3.08Å; Y141-S144 PolarHBondContact O-N 2.74Å; Y141-S144 PolarHBondContact O-OG 3.35Å; S144-P146 WeakPolarHBondContact O-CD 3.22Å
145K94.1Very high95.6Very high34 Ų3456.2 Ų56.215%0.14829%0.291CS..  trans-63.4112.3-174.7-16175.5176.8-178.40112.6Y141 S147 L148 E193Y141-K145 HydrophobicContact CE2-CD 4.03Å; Y141-K145 VanDerWaalsContact O-CB 3.3Å; Y141-K145 WeakPolarHBondContact O-CB 3.26Å; Y141-K145 PolarHBondContact O-N 3.27Å; Y141-K145 PolarHBondContact OH-NZ 3.4Å; K145-S147 VanDerWaalsContact C-N 3.28Å; K145-S147 WeakPolarHBondContact CG-OG 3.18Å; K145-S147 PolarHBondContact O-N 3.43Å; K145-L148 HydrophobicContact CB-CD1 4.08Å; K145-L148 HydrophobicContact CB-CG 4.07Å; K145-L148 HydrophobicContact CG-CD1 4.42Å; K145-L148 HydrophobicContact CG-CG 4.14Å; K145-L148 PolarHBondContact O-N 2.82Å; K145-E193 IonicContact NZ-OE1 3.27Å; K145-E193 PolarHBondContact NZ-OE1 3.43Å; K145-E193 IonicContact NZ-OE2 2.73Å; K145-E193 PolarHBondContact NZ-OE2 3.22Å
146P92.1Very high95.5Very high113 Ų11360.7 Ų60.773%0.73432%0.315SS*.THydrogen-bonded Turntrans-67.8-24.7-175.5-22.535.1000114.3S144 L148S144-P146 WeakPolarHBondContact O-CD 3.22Å; P146-L148 PolarHBondContact O-N 2.82Å
147S95.1Very high95.5Very high80 Ų8063 Ų6356%0.55932%0.319SS*.THydrogen-bonded Turntrans-70-19.7177.958.30000113.3K145 K149K145-S147 VanDerWaalsContact C-N 3.28Å; K145-S147 WeakPolarHBondContact CG-OG 3.18Å; K145-S147 PolarHBondContact O-N 3.43Å; S147-K149 PolarHBondContact O-N 2.87Å
148L94.9Very high95.5Very high10 Ų1063 Ų635%0.05232%0.319CS..  trans-93.695.7177.9-54.4-176.4000109.8V142 K145 P146 E153 K154 Y157V142-L148 HydrophobicContact CB-CD1 4.29Å; K145-L148 HydrophobicContact CB-CD1 4.08Å; K145-L148 HydrophobicContact CB-CG 4.07Å; K145-L148 HydrophobicContact CG-CD1 4.42Å; K145-L148 HydrophobicContact CG-CG 4.14Å; K145-L148 PolarHBondContact O-N 2.82Å; P146-L148 PolarHBondContact O-N 2.82Å; L148-E153 HydrophobicContact CB-CB 4.45Å; L148-E153 HydrophobicContact CD2-CB 4.35Å; L148-K154 HydrophobicContact CB-CG 3.77Å; L148-K154 HydrophobicContact CD1-CG 4.25Å; L148-K154 WeakPolarHBondContact O-CE 3.26Å; L148-Y157 HydrophobicContact CD1-CD1 4.31Å; L148-Y157 HydrophobicContact CD1-CD2 4.2Å; L148-Y157 HydrophobicContact CD1-CG 3.88Å; L148-Y157 HydrophobicContact CD2-CD1 4.31Å; L148-Y157 HydrophobicContact CD2-CD2 3.64Å; L148-Y157 HydrophobicContact CD2-CE1 4.24Å; L148-Y157 HydrophobicContact CD2-CE2 3.55Å; L148-Y157 HydrophobicContact CD2-CG 4.02Å
149K92.7Very high95.5Very high188 Ų18865.1 Ų65.182%0.81733%0.33SS*.  trans-81.1-36.3-169.2-64-176.3-179.3179.60112.8S147 E153S147-K149 PolarHBondContact O-N 2.87Å; K149-E153 PolarHBondContact N-OE2 2.68Å; K149-E153 VanDerWaalsContact N-OE2 3.11Å
150S93.1Very high95.5Very high48 Ų4868.8 Ų68.834%0.33635%0.35SS..SBendtrans-104.3150.8-177.471.80000111.7K152 E153 K154S150-K152 PolarHBondContact O-N 3.44Å; S150-E153 WeakPolarHBondContact CB-OE2 3.39Å; S150-E153 PolarHBondContact N-OE2 3.12Å; S150-E153 PolarHBondContact O-N 3.45Å; S150-E153 VanDerWaalsContact OG-CD 3.26Å; S150-E153 VanDerWaalsContact OG-CG 3.25Å; S150-E153 WeakPolarHBondContact OG-CG 3.42Å; S150-E153 PolarHBondContact OG-N 3.08Å; S150-E153 PolarHBondContact OG-OE2 3.32Å; S150-K154 PolarHBondContact O-N 3.42Å; S150-K154 VanDerWaalsContact O-N 3.16Å
151M92.9Very high95.5Very high51 Ų5167.7 Ų67.725%0.25134%0.344SS..Hα-helixtrans-63.1-29.6174-167.56570.200112.2V13 F17 L143 E153 K154 I155V13-M151 HydrophobicContact CG1-CB 3.13Å; V13-M151 HydrophobicContact CG1-CE 4.21Å; V13-M151 HydrophobicContact CG1-CG 3.28Å; F17-M151 HydrophobicContact CB-SD 4.23Å; F17-M151 HydrophobicContact CD2-SD 3.82Å; F17-M151 HydrophobicContact CG-SD 4.29Å; L143-M151 HydrophobicContact CD2-SD 4.29Å; M151-E153 VanDerWaalsContact C-N 3.33Å; M151-E153 PolarHBondContact O-N 3.34Å; M151-K154 PolarHBondContact O-N 3.43Å; M151-K154 HydrophobicContact SD-CB 4.14Å; M151-K154 HydrophobicContact SD-CD 4.18Å; M151-I155 HydrophobicContact CG-CD1 3.9Å; M151-I155 HydrophobicContact CG-CG1 4.19Å; M151-I155 WeakPolarHBondContact O-CD1 3.47Å; M151-I155 VanDerWaalsContact O-CG1 3.25Å; M151-I155 WeakPolarHBondContact O-CG1 3.49Å; M151-I155 PolarHBondContact O-N 3.36Å
152K93.4Very high95.5Very high176 Ų17665.5 Ų65.577%0.76534%0.335SS*.Hα-helixtrans-60.7-43.7176.2-68.3-176.8179.5-179.40111.3S150 I155 L156S150-K152 PolarHBondContact O-N 3.44Å; K152-I155 PolarHBondContact O-N 3.49Å; K152-L156 WeakPolarHBondContact O-CB 3.43Å; K152-L156 PolarHBondContact O-N 3.23Å
153E95.7Very high95.5Very high80 Ų8067.8 Ų67.837%0.37435%0.347SS..Hα-helixtrans-62.8-44.7174-70.4160.3146.100110.9L148 K149 S150 M151 I155 L156 Y157L148-E153 HydrophobicContact CB-CB 4.45Å; L148-E153 HydrophobicContact CD2-CB 4.35Å; K149-E153 PolarHBondContact N-OE2 2.68Å; K149-E153 VanDerWaalsContact N-OE2 3.11Å; S150-E153 WeakPolarHBondContact CB-OE2 3.39Å; S150-E153 PolarHBondContact N-OE2 3.12Å; S150-E153 PolarHBondContact O-N 3.45Å; S150-E153 VanDerWaalsContact OG-CD 3.26Å; S150-E153 VanDerWaalsContact OG-CG 3.25Å; S150-E153 WeakPolarHBondContact OG-CG 3.42Å; S150-E153 PolarHBondContact OG-N 3.08Å; S150-E153 PolarHBondContact OG-OE2 3.32Å; M151-E153 VanDerWaalsContact C-N 3.33Å; M151-E153 PolarHBondContact O-N 3.34Å; E153-I155 PolarHBondContact O-N 2.81Å; E153-L156 PolarHBondContact O-N 3.19Å; E153-Y157 VanDerWaalsContact O-CD2 3.32Å; E153-Y157 WeakPolarHBondContact O-CD2 3.5Å; E153-Y157 PolarHBondContact O-N 2.92Å
154K96.3Very high95.7Very high38 Ų3871.5 Ų71.517%0.16536%0.358CS..Hα-helixtrans-59.7-43.3177.5-63-175.8177-167.20112.6F17 V142 L143 L148 S150 M151 Y158F17-K154 HydrophobicContact CE2-CB 4.47Å; V142-K154 HydrophobicContact CB-CB 4.37Å; V142-K154 VanDerWaalsContact O-CD 3.25Å; V142-K154 WeakPolarHBondContact O-CD 3.41Å; V142-K154 WeakPolarHBondContact O-CE 3.39Å; V142-K154 VanDerWaalsContact O-CG 3.32Å; V142-K154 WeakPolarHBondContact O-CG 3.49Å; L143-K154 HydrophobicContact CD2-CD 4.18Å; L143-K154 PolarHBondContact O-NZ 2.76Å; L148-K154 HydrophobicContact CB-CG 3.77Å; L148-K154 HydrophobicContact CD1-CG 4.25Å; L148-K154 WeakPolarHBondContact O-CE 3.26Å; S150-K154 PolarHBondContact O-N 3.42Å; S150-K154 VanDerWaalsContact O-N 3.16Å; M151-K154 PolarHBondContact O-N 3.43Å; M151-K154 HydrophobicContact SD-CB 4.14Å; M151-K154 HydrophobicContact SD-CD 4.18Å; K154-Y158 VanDerWaalsContact O-CB 3.28Å; K154-Y158 WeakPolarHBondContact O-CB 3.28Å; K154-Y158 PolarHBondContact O-N 3.45Å
155I96.7Very high95.9Very high23 Ų2373.2 Ų73.212%0.11837%0.368CS..Hα-helixtrans-62.6-46.4175-68.2161.3000110.4V16 F17 A20 M151 K152 E153 Y158 L159V16-I155 HydrophobicContact CB-CD1 4.15Å; V16-I155 HydrophobicContact CG1-CD1 3.62Å; F17-I155 HydrophobicContact CB-CD1 4.46Å; F17-I155 HydrophobicContact CB-CG1 4.17Å; F17-I155 HydrophobicContact CD2-CG1 3.6Å; F17-I155 HydrophobicContact CE2-CG1 4.44Å; F17-I155 HydrophobicContact CG-CG1 4.31Å; A20-I155 HydrophobicContact CB-CG2 3.84Å; M151-I155 HydrophobicContact CG-CD1 3.9Å; M151-I155 HydrophobicContact CG-CG1 4.19Å; M151-I155 WeakPolarHBondContact O-CD1 3.47Å; M151-I155 VanDerWaalsContact O-CG1 3.25Å; M151-I155 WeakPolarHBondContact O-CG1 3.49Å; M151-I155 PolarHBondContact O-N 3.36Å; K152-I155 PolarHBondContact O-N 3.49Å; E153-I155 PolarHBondContact O-N 2.81Å; I155-Y158 PolarHBondContact O-N 3.34Å; I155-L159 HydrophobicContact CG2-CD1 3.81Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CB 3.41Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.41Å; I155-L159 PolarHBondContact O-N 3.28Å
156L96.8Very high96Very high100 Ų10073 Ų7352%0.52437%0.374SS..Hα-helixtrans-60.8-48.6179.9178.762.5000111.2K152 E153 Y158 L159 L160K152-L156 WeakPolarHBondContact O-CB 3.43Å; K152-L156 PolarHBondContact O-N 3.23Å; E153-L156 PolarHBondContact O-N 3.19Å; L156-Y158 PolarHBondContact O-N 2.91Å; L156-L159 PolarHBondContact O-N 2.94Å; L156-L160 HydrophobicContact CD1-CD1 4.33Å; L156-L160 HydrophobicContact CD1-CG 4.33Å; L156-L160 HydrophobicContact CG-CD1 4.08Å; L156-L160 WeakPolarHBondContact O-CB 3.23Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 2.99Å
157Y97.7Very high96.2Very high118 Ų11868.2 Ų68.246%0.46334%0.342SS..Hα-helixtrans-62.9-41.5177.7-88.6-104.9000112L148 E153 L160 I161L148-Y157 HydrophobicContact CD1-CD1 4.31Å; L148-Y157 HydrophobicContact CD1-CD2 4.2Å; L148-Y157 HydrophobicContact CD1-CG 3.88Å; L148-Y157 HydrophobicContact CD2-CD1 4.31Å; L148-Y157 HydrophobicContact CD2-CD2 3.64Å; L148-Y157 HydrophobicContact CD2-CE1 4.24Å; L148-Y157 HydrophobicContact CD2-CE2 3.55Å; L148-Y157 HydrophobicContact CD2-CG 4.02Å; E153-Y157 VanDerWaalsContact O-CD2 3.32Å; E153-Y157 WeakPolarHBondContact O-CD2 3.5Å; E153-Y157 PolarHBondContact O-N 2.92Å; Y157-L160 PolarHBondContact O-N 2.96Å; Y157-I161 WeakPolarHBondContact O-CD1 3.43Å; Y157-I161 VanDerWaalsContact O-CG1 3.3Å; Y157-I161 WeakPolarHBondContact O-CG1 3.48Å; Y157-I161 PolarHBondContact O-N 3.16Å; Y157-I161 VanDerWaalsContact O-N 3.08Å
158Y98.1Very high96.4Very high0 Ų065.1 Ų65.10%032%0.319CS..Hα-helixtrans-57.9-52.2175.4174.9-100.4000111F17 A20 V21 S24 I139 K154 I155 L156 L160 I161 T162F17-Y158 HydrophobicContact CE2-CG 4.41Å; F17-Y158 HydrophobicContact CZ-CD2 4.21Å; F17-Y158 HydrophobicContact CZ-CG 4.13Å; A20-Y158 HydrophobicContact CB-CD1 4.34Å; V21-Y158 HydrophobicContact CB-CE1 4.43Å; V21-Y158 HydrophobicContact CG2-CE1 3.96Å; V21-Y158 HydrophobicContact CG2-CE2 4.45Å; S24-Y158 WeakPolarHBondContact OG-CE1 3.26Å; I139-Y158 HydrophobicContact CD1-CE2 4.41Å; I139-Y158 HydrophobicContact CG1-CD2 4.09Å; I139-Y158 HydrophobicContact CG1-CE2 3.51Å; K154-Y158 VanDerWaalsContact O-CB 3.28Å; K154-Y158 WeakPolarHBondContact O-CB 3.28Å; K154-Y158 PolarHBondContact O-N 3.45Å; I155-Y158 PolarHBondContact O-N 3.34Å; L156-Y158 PolarHBondContact O-N 2.91Å; Y158-L160 VanDerWaalsContact C-N 3.31Å; Y158-L160 PolarHBondContact O-N 3.44Å; Y158-I161 PolarHBondContact O-N 3.4Å; Y158-I161 VanDerWaalsContact O-N 3.15Å; Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE1-CG2 4.18Å; Y158-T162 HydrophobicContact CE2-CG2 3.58Å; Y158-T162 WeakPolarHBondContact O-CG2 3.49Å; Y158-T162 PolarHBondContact O-N 3.16Å; Y158-T162 PolarHBondContact O-OG1 3.44Å; Y158-T162 VanDerWaalsContact O-OG1 3.08Å
159L97.9Very high96.6Very high45 Ų4569.4 Ų69.424%0.23634%0.341CS..Hα-helixtrans-64.6-33.8179.8-67.5175.9000112.4A20 I155 L156 I161 L163A20-L159 HydrophobicContact CB-CD1 4.36Å; A20-L159 HydrophobicContact CB-CD2 3.99Å; A20-L159 HydrophobicContact CB-CG 4.23Å; I155-L159 HydrophobicContact CG2-CD1 3.81Å; I155-L159 HydrophobicContact CG2-CG 4.29Å; I155-L159 WeakPolarHBondContact O-CB 3.41Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.41Å; I155-L159 PolarHBondContact O-N 3.28Å; L156-L159 PolarHBondContact O-N 2.94Å; L159-I161 VanDerWaalsContact C-N 3.32Å; L159-I161 PolarHBondContact O-N 3.37Å; L159-L163 HydrophobicContact CB-CD1 4.26Å; L159-L163 HydrophobicContact CB-CG 4.48Å; L159-L163 HydrophobicContact CD2-CD1 3.85Å; L159-L163 HydrophobicContact CD2-CG 4.17Å; L159-L163 WeakPolarHBondContact O-CA 3.07Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 3.28Å
160L97.6Very high96.8Very high111 Ų11163.3 Ų63.358%0.58132%0.32SS*.Hα-helixtrans-64.1-37.8174.6-75.8171.1000112.1L156 Y157 Y158L156-L160 HydrophobicContact CD1-CD1 4.33Å; L156-L160 HydrophobicContact CD1-CG 4.33Å; L156-L160 HydrophobicContact CG-CD1 4.08Å; L156-L160 WeakPolarHBondContact O-CB 3.23Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.4Å; L156-L160 PolarHBondContact O-N 2.99Å; Y157-L160 PolarHBondContact O-N 2.96Å; Y158-L160 VanDerWaalsContact C-N 3.31Å; Y158-L160 PolarHBondContact O-N 3.44Å
161I97.3Very high97.1Very high44 Ų4461.1 Ų61.123%0.22630%0.304CS..Hα-helixtrans-71.1-51.4176.7-65.5163000110F134 Y141 V142 Y157 Y158 L159 M186F134-I161 HydrophobicContact CE1-CG2 4.19Å; F134-I161 HydrophobicContact CZ-CG2 3.78Å; Y141-I161 HydrophobicContact CD1-CD1 4.23Å; Y141-I161 HydrophobicContact CE1-CD1 4.48Å; V142-I161 HydrophobicContact CG1-CD1 4.27Å; Y157-I161 WeakPolarHBondContact O-CD1 3.43Å; Y157-I161 VanDerWaalsContact O-CG1 3.3Å; Y157-I161 WeakPolarHBondContact O-CG1 3.48Å; Y157-I161 PolarHBondContact O-N 3.16Å; Y157-I161 VanDerWaalsContact O-N 3.08Å; Y158-I161 PolarHBondContact O-N 3.4Å; Y158-I161 VanDerWaalsContact O-N 3.15Å; L159-I161 VanDerWaalsContact C-N 3.32Å; L159-I161 PolarHBondContact O-N 3.37Å; I161-M186 HydrophobicContact CD1-CE 4.26Å
162T97.7Very high97.3Very high0 Ų058.7 Ų58.70%029%0.292CS..Hα-helixtrans-83.7-25.4-169.361.30000114.1S24 L135 Y158S24-T162 PolarHBondContact OG-OG1 2.95Å; L135-T162 HydrophobicContact CD2-CG2 3.53Å; Y158-T162 HydrophobicContact CD2-CG2 4.05Å; Y158-T162 HydrophobicContact CE1-CG2 4.18Å; Y158-T162 HydrophobicContact CE2-CG2 3.58Å; Y158-T162 WeakPolarHBondContact O-CG2 3.49Å; Y158-T162 PolarHBondContact O-N 3.16Å; Y158-T162 PolarHBondContact O-OG1 3.44Å; Y158-T162 VanDerWaalsContact O-OG1 3.08Å
163L97.6Very high97.6Very high48 Ų4851.9 Ų51.925%0.25127%0.265SS..THydrogen-bonded Turntrans-99.414.6177.5-53.4-174.5000113.3I27 L159 P165 I168I27-L163 HydrophobicContact CB-CD2 4.32Å; I27-L163 HydrophobicContact CD1-CD1 3.98Å; I27-L163 HydrophobicContact CD1-CD2 3.68Å; I27-L163 HydrophobicContact CG2-CD2 4.4Å; L159-L163 HydrophobicContact CB-CD1 4.26Å; L159-L163 HydrophobicContact CB-CG 4.48Å; L159-L163 HydrophobicContact CD2-CD1 3.85Å; L159-L163 HydrophobicContact CD2-CG 4.17Å; L159-L163 WeakPolarHBondContact O-CA 3.07Å; L159-L163 WeakPolarHBondContact O-CB 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 3.28Å; L163-P165 VanDerWaalsContact O-CD 3.26Å; L163-P165 WeakPolarHBondContact O-CD 3.42Å; L163-P165 VanDerWaalsContact O-N 3.15Å; L163-I168 HydrophobicContact CB-CD1 4.44Å; L163-I168 HydrophobicContact CD2-CD1 4.2Å
164Y97.7Very high97.7Very high148 Ų14851.5 Ų51.558%0.5826%0.264SS*.  trans-58119.5173.4177.9-115.9000109.8G166 Y167 I168Y164-G166 VanDerWaalsContact C-N 3.29Å; Y164-G166 PolarHBondContact O-N 2.93Å; Y164-Y167 VanDerWaalsContact CD1-N 3.28Å; Y164-Y167 WeakPolarHBondContact O-CB 3.4Å; Y164-Y167 PolarHBondContact O-N 2.84Å; Y164-Y167 VanDerWaalsContact O-N 3.08Å; Y164-I168 PolarHBondContact O-N 3.29Å; Y164-I168 VanDerWaalsContact O-N 3.16Å
165P97.6Very high97.8Very high83 Ų8349.7 Ų49.754%0.53926%0.256SS..Hα-helixtrans-60.7-36.9-171.7-27.335.3000113.5L163 Y167 I168 L169L163-P165 VanDerWaalsContact O-CD 3.26Å; L163-P165 WeakPolarHBondContact O-CD 3.42Å; L163-P165 VanDerWaalsContact O-N 3.15Å; P165-Y167 VanDerWaalsContact C-N 3.3Å; P165-Y167 PolarHBondContact O-N 3.29Å; P165-I168 PolarHBondContact O-N 2.92Å; P165-L169 VanDerWaalsContact O-CB 3.31Å; P165-L169 WeakPolarHBondContact O-CB 3.29Å; P165-L169 WeakPolarHBondContact O-CG 3.25Å; P165-L169 PolarHBondContact O-N 2.82Å
166G97.2Very high97.9Very high28 Ų2849.3 Ų49.329%0.28925%0.253SS..Hα-helixtrans-62-39.7177.800000112.2Y164 V170Y164-G166 VanDerWaalsContact C-N 3.29Å; Y164-G166 PolarHBondContact O-N 2.93Å; G166-V170 WeakPolarHBondContact O-CB 3.02Å; G166-V170 WeakPolarHBondContact O-CG2 3.49Å; G166-V170 PolarHBondContact O-N 2.82Å; G166-V170 VanDerWaalsContact O-N 3.1Å
167Y97Very high97.9Very high14 Ų1444.8 Ų44.86%0.05523%0.229CC..Hα-helixtrans-63-51.3175.6169.2-121.3000111.1D130 F134 Y164 P165 L169 V170 D171 F172 C179D130-Y167 PolarHBondContact OD1-OH 2.9Å; F134-Y167 AromaticContact CD1-CE1 3.74Å; F134-Y167 HydrophobicContact CD1-CE1 3.74Å; F134-Y167 HydrophobicContact CD1-CE2 4.4Å; F134-Y167 AromaticContact CD1-CZ 3.67Å; F134-Y167 AromaticContact CE1-CD1 3.92Å; F134-Y167 HydrophobicContact CE1-CD1 3.92Å; F134-Y167 AromaticContact CE1-CE1 3.51Å; F134-Y167 HydrophobicContact CE1-CE1 3.51Å; F134-Y167 HydrophobicContact CE1-CE2 4.38Å; F134-Y167 HydrophobicContact CE1-CG 4.49Å; F134-Y167 AromaticContact CE1-CZ 3.8Å; F134-Y167 HydrophobicContact CZ-CE1 4.43Å; Y164-Y167 VanDerWaalsContact CD1-N 3.28Å; Y164-Y167 WeakPolarHBondContact O-CB 3.4Å; Y164-Y167 PolarHBondContact O-N 2.84Å; Y164-Y167 VanDerWaalsContact O-N 3.08Å; P165-Y167 VanDerWaalsContact C-N 3.3Å; P165-Y167 PolarHBondContact O-N 3.29Å; Y167-L169 PolarHBondContact O-N 2.98Å; Y167-V170 PolarHBondContact O-N 3.39Å; Y167-D171 HydrophobicContact CE2-CB 4.24Å; Y167-D171 WeakPolarHBondContact CE2-OD2 3.44Å; Y167-D171 PolarHBondContact O-N 3.48Å; Y167-D171 VanDerWaalsContact O-N 3.12Å; Y167-F172 AromaticContact CE1-CE2 3.87Å; Y167-F172 HydrophobicContact CE1-CE2 3.87Å; Y167-F172 HydrophobicContact CE2-CE2 4.35Å; Y167-F172 AromaticContact CZ-CE2 3.67Å; Y167-F172 WeakPolarHBondContact OH-CE2 3.22Å; Y167-C179 HydrophobicContact CE2-CB 3.84Å; Y167-C179 WeakPolarHBondContact OH-CB 3.35Å
168I98.2Very high97.9Very high15 Ų1540.6 Ų40.68%0.07722%0.215CC..Hα-helixtrans-61.8-46.8-178.1-68167.5000111.5I27 A31 L163 Y164 P165 F172 V173I27-I168 HydrophobicContact CG2-CD1 3.82Å; A31-I168 HydrophobicContact CB-CG2 3.6Å; L163-I168 HydrophobicContact CB-CD1 4.44Å; L163-I168 HydrophobicContact CD2-CD1 4.2Å; Y164-I168 PolarHBondContact O-N 3.29Å; Y164-I168 VanDerWaalsContact O-N 3.16Å; P165-I168 PolarHBondContact O-N 2.92Å; I168-F172 WeakPolarHBondContact O-CA 3.39Å; I168-F172 WeakPolarHBondContact O-CB 3.46Å; I168-F172 PolarHBondContact O-N 3.17Å; I168-V173 PolarHBondContact O-N 3.32Å
169L98.3Very high97.9Very high100 Ų10040.6 Ų40.652%0.52422%0.215SC..Iπ-helixtrans-66.9-38.6-176.5-69.2174.9000112P165 Y167 V173 H174P165-L169 VanDerWaalsContact O-CB 3.31Å; P165-L169 WeakPolarHBondContact O-CB 3.29Å; P165-L169 WeakPolarHBondContact O-CG 3.25Å; P165-L169 PolarHBondContact O-N 2.82Å; Y167-L169 PolarHBondContact O-N 2.98Å; L169-V173 HydrophobicContact CD2-CB 4.44Å; L169-V173 HydrophobicContact CD2-CG2 3.91Å; L169-V173 VanDerWaalsContact O-CB 3.29Å; L169-V173 WeakPolarHBondContact O-CB 3.35Å; L169-V173 PolarHBondContact O-N 3.09Å; L169-H174 WeakPolarHBondContact O-CB 3.34Å; L169-H174 PolarHBondContact O-N 2.86Å
170V98.2Very high98Very high60 Ų6038.7 Ų38.736%0.36421%0.205SC..Iπ-helixtrans-74-45.1-177.8176.80000111.2G166 Y167 H174 F175 Q176 N178G166-V170 WeakPolarHBondContact O-CB 3.02Å; G166-V170 WeakPolarHBondContact O-CG2 3.49Å; G166-V170 PolarHBondContact O-N 2.82Å; G166-V170 VanDerWaalsContact O-N 3.1Å; Y167-V170 PolarHBondContact O-N 3.39Å; V170-H174 WeakPolarHBondContact O-CB 3.15Å; V170-F175 PolarHBondContact O-N 3.27Å; V170-Q176 HydrophobicContact CG1-CB 3.96Å; V170-Q176 HydrophobicContact CG1-CG 3.88Å; V170-Q176 PolarHBondContact O-N 2.94Å; V170-N178 WeakPolarHBondContact CG1-ND2 3.23Å
171D98.3Very high98Very high1 Ų133.4 Ų33.41%0.00518%0.178CC..Iπ-helixtrans-85.1-47.9-174-77.318.6000112.1V126 Y167 F175 Q176 N178 C179V126-D171 HydrophobicContact CG1-CB 4.33Å; Y167-D171 HydrophobicContact CE2-CB 4.24Å; Y167-D171 WeakPolarHBondContact CE2-OD2 3.44Å; Y167-D171 PolarHBondContact O-N 3.48Å; Y167-D171 VanDerWaalsContact O-N 3.12Å; D171-F175 WeakPolarHBondContact O-CA 3.36Å; D171-F175 PolarHBondContact O-N 3.14Å; D171-Q176 PolarHBondContact O-N 3.34Å; D171-Q176 WeakPolarHBondContact OD1-CB 3.39Å; D171-N178 VanDerWaalsContact OD1-CB 3.3Å; D171-N178 WeakPolarHBondContact OD1-CB 3.26Å; D171-N178 PolarHBondContact OD1-N 2.76Å; D171-N178 PolarHBondContact OD1-ND2 2.77Å; D171-N178 PolarHBondContact OD2-N 3.02Å; D171-N178 VanDerWaalsContact OD2-N 3.08Å; D171-C179 WeakPolarHBondContact OD2-CB 3.44Å; D171-C179 PolarHBondContact OD2-N 3.12Å
172F98.4Very high98Very high0 Ų034.2 Ų34.20%018%0.182CC..Iπ-helixtrans-93.1-24.1-171.1-58-87.9000113.7Q28 A31 S32 R123 V126 L127 D130 Y167 I168Q28-F172 HydrophobicContact CB-CD1 3.76Å; Q28-F172 HydrophobicContact CB-CD2 4.24Å; Q28-F172 HydrophobicContact CB-CE1 3.67Å; Q28-F172 HydrophobicContact CB-CE2 4.16Å; Q28-F172 HydrophobicContact CB-CG 4.03Å; Q28-F172 HydrophobicContact CB-CZ 3.87Å; Q28-F172 HydrophobicContact CG-CD1 4.32Å; Q28-F172 HydrophobicContact CG-CD2 4Å; Q28-F172 HydrophobicContact CG-CE1 3.99Å; Q28-F172 HydrophobicContact CG-CE2 3.64Å; Q28-F172 HydrophobicContact CG-CG 4.3Å; Q28-F172 HydrophobicContact CG-CZ 3.62Å; A31-F172 HydrophobicContact CB-CB 3.95Å; S32-F172 VanDerWaalsContact CA-O 3.27Å; S32-F172 WeakPolarHBondContact CA-O 3.5Å; R123-F172 PolarHBondContact NH1-O 3.23Å; V126-F172 HydrophobicContact CG1-CD1 4.28Å; V126-F172 HydrophobicContact CG1-CE1 4.12Å; L127-F172 HydrophobicContact CD1-CE1 3.98Å; D130-F172 HydrophobicContact CB-CE1 4.45Å; D130-F172 HydrophobicContact CB-CZ 3.85Å; Y167-F172 AromaticContact CE1-CE2 3.87Å; Y167-F172 HydrophobicContact CE1-CE2 3.87Å; Y167-F172 HydrophobicContact CE2-CE2 4.35Å; Y167-F172 AromaticContact CZ-CE2 3.67Å; Y167-F172 WeakPolarHBondContact OH-CE2 3.22Å; I168-F172 WeakPolarHBondContact O-CA 3.39Å; I168-F172 WeakPolarHBondContact O-CB 3.46Å; I168-F172 PolarHBondContact O-N 3.17Å
173V98.3Very high98Very high33 Ų3334.2 Ų34.220%0.218%0.182CC..Iπ-helixtrans-94-63.7172.2179.50000110.1A31 R123 I168 L169 F175A31-V173 HydrophobicContact CB-CG2 3.92Å; R123-V173 PolarHBondContact NH1-O 3.21Å; R123-V173 PolarHBondContact NH2-O 2.75Å; I168-V173 PolarHBondContact O-N 3.32Å; L169-V173 HydrophobicContact CD2-CB 4.44Å; L169-V173 HydrophobicContact CD2-CG2 3.91Å; L169-V173 VanDerWaalsContact O-CB 3.29Å; L169-V173 WeakPolarHBondContact O-CB 3.35Å; L169-V173 PolarHBondContact O-N 3.09Å; V173-F175 VanDerWaalsContact C-N 3.33Å; V173-F175 PolarHBondContact O-N 3.14Å
174H98.3Very high98Very high73 Ų7332.6 Ų32.634%0.33817%0.174SC..Iπ-helixtrans-68.3-28.3-172.8-176.591.7000113.8S37 D47 L169 V170S37-H174 VanDerWaalsContact CB-CE1 3.44Å; S37-H174 WeakPolarHBondContact CB-CE1 3.36Å; S37-H174 WeakPolarHBondContact CB-O 3.16Å; S37-H174 PolarHBondContact N-O 3.48Å; S37-H174 PolarHBondContact OG-CE1 3.29Å; D47-H174 IonicContact OD2-CD2 3.67Å; D47-H174 PolarHBondContact OD2-CD2 3.47Å; D47-H174 IonicContact OD2-CE1 3.72Å; D47-H174 IonicContact OD2-NE2 2.86Å; D47-H174 PolarHBondContact OD2-NE2 2.95Å; L169-H174 WeakPolarHBondContact O-CB 3.34Å; L169-H174 PolarHBondContact O-N 2.86Å; V170-H174 WeakPolarHBondContact O-CB 3.15Å
175F98.5Very high98.1Very high0 Ų027.5 Ų27.50%015%0.154CC..Iπ-helixtrans85.785.4-179.4-159.6-87.5000113.9Y48 Q51 M122 V126 V170 D171 V173 Y177Y48-F175 HydrophobicContact CD2-CB 4.12Å; Y48-F175 AromaticContact CD2-CD1 3.88Å; Y48-F175 HydrophobicContact CD2-CD1 3.88Å; Y48-F175 AromaticContact CD2-CD2 3.58Å; Y48-F175 HydrophobicContact CD2-CD2 3.58Å; Y48-F175 HydrophobicContact CD2-CE1 4.23Å; Y48-F175 AromaticContact CD2-CE2 3.97Å; Y48-F175 HydrophobicContact CD2-CE2 3.97Å; Y48-F175 AromaticContact CD2-CG 3.55Å; Y48-F175 HydrophobicContact CD2-CG 3.55Å; Y48-F175 HydrophobicContact CD2-CZ 4.3Å; Y48-F175 HydrophobicContact CE2-CD2 4.01Å; Y48-F175 AromaticContact CE2-CE2 3.99Å; Y48-F175 HydrophobicContact CE2-CE2 3.99Å; Y48-F175 HydrophobicContact CE2-CG 4.39Å; Y48-F175 HydrophobicContact CE2-CZ 4.37Å; Y48-F175 HydrophobicContact CG-CD1 4.37Å; Y48-F175 HydrophobicContact CG-CG 4.33Å; Q51-F175 HydrophobicContact CB-CD1 4.29Å; Q51-F175 HydrophobicContact CB-CE1 3.79Å; Q51-F175 HydrophobicContact CG-CD1 4.03Å; Q51-F175 HydrophobicContact CG-CE1 3.9Å; M122-F175 VanDerWaalsContact C-CE2 3.46Å; M122-F175 HydrophobicContact CB-CE2 3.62Å; M122-F175 HydrophobicContact CB-CZ 3.56Å; M122-F175 HydrophobicContact CE-CE1 3.62Å; M122-F175 HydrophobicContact CE-CZ 3.63Å; M122-F175 HydrophobicContact CG-CZ 4.37Å; M122-F175 VanDerWaalsContact O-CE2 3.23Å; M122-F175 WeakPolarHBondContact O-CE2 3.45Å; M122-F175 WeakPolarHBondContact O-CZ 3.34Å; M122-F175 HydrophobicContact SD-CZ 4.35Å; V126-F175 HydrophobicContact CG2-CD2 4.23Å; V126-F175 HydrophobicContact CG2-CE1 4.41Å; V126-F175 HydrophobicContact CG2-CE2 3.62Å; V126-F175 HydrophobicContact CG2-CZ 3.71Å; V170-F175 PolarHBondContact O-N 3.27Å; D171-F175 WeakPolarHBondContact O-CA 3.36Å; D171-F175 PolarHBondContact O-N 3.14Å; V173-F175 VanDerWaalsContact C-N 3.33Å; V173-F175 PolarHBondContact O-N 3.14Å; F175-Y177 AromaticContact CE1-CE2 3.94Å; F175-Y177 HydrophobicContact CE1-CE2 3.94Å; F175-Y177 HydrophobicContact CZ-CE2 4.22Å
176Q98Very high98Very high15 Ų1524.6 Ų24.67%0.0713%0.134CC..  trans-141.6160.5176.8-75.7-73.3-1800110.1D47 V170 D171 N178D47-Q176 PolarHBondContact OD2-NE2 3.16Å; V170-Q176 HydrophobicContact CG1-CB 3.96Å; V170-Q176 HydrophobicContact CG1-CG 3.88Å; V170-Q176 PolarHBondContact O-N 2.94Å; D171-Q176 PolarHBondContact O-N 3.34Å; D171-Q176 WeakPolarHBondContact OD1-CB 3.39Å; Q176-N178 WeakPolarHBondContact CB-ND2 3.47Å
177Y98.4Very high98.1Very high5 Ų525.1 Ų25.12%0.0213%0.127CC..  trans-109.442.4174.3-68.5-83.5000111.4Q51 H89 L93 T125 V126 F175 C179 V180 Y210Q51-Y177 HydrophobicContact CB-CE2 4.24Å; Q51-Y177 HydrophobicContact CG-CD2 4.2Å; Q51-Y177 HydrophobicContact CG-CE2 4.13Å; H89-Y177 AromaticContact CE1-CD1 3.68Å; H89-Y177 AromaticContact CE1-CE1 3.85Å; L93-Y177 HydrophobicContact CD1-CE1 3.99Å; L93-Y177 HydrophobicContact CD1-CE2 4.37Å; L93-Y177 VanDerWaalsContact CD1-OH 3.28Å; L93-Y177 WeakPolarHBondContact CD1-OH 3.46Å; T125-Y177 WeakPolarHBondContact CB-OH 3.49Å; T125-Y177 PolarHBondContact OG1-OH 3.19Å; V126-Y177 HydrophobicContact CB-CD1 4.5Å; V126-Y177 HydrophobicContact CB-CE1 4.16Å; V126-Y177 HydrophobicContact CG2-CD1 3.94Å; V126-Y177 HydrophobicContact CG2-CE1 3.51Å; V126-Y177 HydrophobicContact CG2-CE2 4.3Å; F175-Y177 AromaticContact CE1-CE2 3.94Å; F175-Y177 HydrophobicContact CE1-CE2 3.94Å; F175-Y177 HydrophobicContact CZ-CE2 4.22Å; Y177-C179 PolarHBondContact O-N 3.44Å; Y177-V180 HydrophobicContact CD1-CG2 4.31Å; Y177-V180 PolarHBondContact O-N 2.75Å; Y177-Y210 WeakPolarHBondContact CB-OH 3.23Å; Y177-Y210 WeakPolarHBondContact O-CE1 3.37Å
178N97.9Very high98.1Very high29 Ų2924.5 Ų24.516%0.15513%0.125CC..Hα-helixtrans-67.4-27.6177.1-59.9-57.2000111.5V170 D171 Q176 V180 S181 L182 K211V170-N178 WeakPolarHBondContact CG1-ND2 3.23Å; D171-N178 VanDerWaalsContact OD1-CB 3.3Å; D171-N178 WeakPolarHBondContact OD1-CB 3.26Å; D171-N178 PolarHBondContact OD1-N 2.76Å; D171-N178 PolarHBondContact OD1-ND2 2.77Å; D171-N178 PolarHBondContact OD2-N 3.02Å; D171-N178 VanDerWaalsContact OD2-N 3.08Å; Q176-N178 WeakPolarHBondContact CB-ND2 3.47Å; N178-V180 PolarHBondContact O-N 3.48Å; N178-V180 VanDerWaalsContact O-N 3.15Å; N178-S181 PolarHBondContact O-N 3.49Å; N178-S181 VanDerWaalsContact O-N 3.09Å; N178-L182 HydrophobicContact CB-CD1 4.25Å; N178-L182 WeakPolarHBondContact O-CB 3.27Å; N178-L182 PolarHBondContact O-N 3.46Å; N178-K211 PolarHBondContact OD1-NZ 3.04Å
179C98Very high98.1Very high0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-52.4-32.6173.4680000112.5D130 F134 Y167 D171 Y177 G183D130-C179 HydrophobicContact CB-CB 4Å; F134-C179 HydrophobicContact CB-CB 4.19Å; Y167-C179 HydrophobicContact CE2-CB 3.84Å; Y167-C179 WeakPolarHBondContact OH-CB 3.35Å; D171-C179 WeakPolarHBondContact OD2-CB 3.44Å; D171-C179 PolarHBondContact OD2-N 3.12Å; Y177-C179 PolarHBondContact O-N 3.44Å; C179-G183 WeakPolarHBondContact O-CA 3.19Å; C179-G183 PolarHBondContact O-N 3.21Å
180V98.5Very high98Very high5 Ų520.8 Ų20.83%0.0311%0.107CC..Hα-helixtrans-69.7-52.3176.9178.70000110.4L133 Y177 N178 G183 L184 Y210L133-V180 HydrophobicContact CD1-CB 4.18Å; L133-V180 HydrophobicContact CD1-CG1 3.69Å; L133-V180 HydrophobicContact CD1-CG2 4.03Å; Y177-V180 HydrophobicContact CD1-CG2 4.31Å; Y177-V180 PolarHBondContact O-N 2.75Å; N178-V180 PolarHBondContact O-N 3.48Å; N178-V180 VanDerWaalsContact O-N 3.15Å; V180-G183 PolarHBondContact O-N 3.41Å; V180-L184 HydrophobicContact CG1-CD1 4.06Å; V180-L184 WeakPolarHBondContact O-CB 3.31Å; V180-L184 VanDerWaalsContact O-CG 3.22Å; V180-L184 WeakPolarHBondContact O-CG 3.21Å; V180-L184 PolarHBondContact O-N 3.44Å; V180-Y210 HydrophobicContact CB-CD1 4.08Å; V180-Y210 HydrophobicContact CB-CD2 4.28Å; V180-Y210 HydrophobicContact CB-CE1 3.61Å; V180-Y210 HydrophobicContact CB-CE2 3.84Å; V180-Y210 HydrophobicContact CB-CG 4.38Å; V180-Y210 VanDerWaalsContact CB-CZ 3.46Å; V180-Y210 HydrophobicContact CG1-CD1 3.97Å; V180-Y210 HydrophobicContact CG1-CD2 3.39Å; V180-Y210 HydrophobicContact CG1-CE1 3.83Å; V180-Y210 HydrophobicContact CG1-CE2 3.23Å; V180-Y210 HydrophobicContact CG1-CG 3.75Å; V180-Y210 VanDerWaalsContact CG1-CZ 3.45Å; V180-Y210 HydrophobicContact CG2-CE1 4.33Å; V180-Y210 HydrophobicContact CG2-CE2 4.27Å
181S97.9Very high98Very high1 Ų119.4 Ų19.41%0.00710%0.097CC..Hα-helixtrans-63.3-55.8-178.8-171.50000112N178 G183 L184 F185 E214N178-S181 PolarHBondContact O-N 3.49Å; N178-S181 VanDerWaalsContact O-N 3.09Å; S181-G183 PolarHBondContact O-N 3.37Å; S181-L184 PolarHBondContact O-N 3.18Å; S181-F185 PolarHBondContact O-N 3.1Å; S181-E214 VanDerWaalsContact OG-CD 3.31Å; S181-E214 WeakPolarHBondContact OG-CG 3.15Å; S181-E214 PolarHBondContact OG-OE1 3.02Å
182L97.5Very high97.9Very high61 Ų6122 Ų2232%0.31911%0.108SC..Hα-helixtrans-62.4-33.5178.3-67.8173.5000110.9F134 N178 F185 M186 E214F134-L182 HydrophobicContact CD2-CB 4.16Å; F134-L182 HydrophobicContact CE2-CB 4.1Å; N178-L182 HydrophobicContact CB-CD1 4.25Å; N178-L182 WeakPolarHBondContact O-CB 3.27Å; N178-L182 PolarHBondContact O-N 3.46Å; L182-F185 PolarHBondContact O-N 3.25Å; L182-M186 WeakPolarHBondContact O-CB 3.23Å; L182-M186 PolarHBondContact O-N 3.27Å; L182-E214 PolarHBondContact N-OE1 3.25Å
183G98Very high97.7Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-66.3-45.1175.900000113.7L133 C179 V180 S181 F185 M186 W187L133-G183 CarbonylContact O-C 3.58Å; L133-G183 WeakPolarHBondContact O-CA 3.29Å; L133-G183 VanDerWaalsContact O-O 3.1Å; C179-G183 WeakPolarHBondContact O-CA 3.19Å; C179-G183 PolarHBondContact O-N 3.21Å; V180-G183 PolarHBondContact O-N 3.41Å; S181-G183 PolarHBondContact O-N 3.37Å; G183-F185 VanDerWaalsContact C-N 3.31Å; G183-F185 PolarHBondContact O-N 3.37Å; G183-M186 CarbonylContact O-C 3.38Å; G183-M186 WeakPolarHBondContact O-CB 3.47Å; G183-M186 PolarHBondContact O-N 3.19Å; G183-M186 VanDerWaalsContact O-N 3.12Å; G183-W187 VanDerWaalsContact O-CD1 3.31Å; G183-W187 PolarHBondContact O-N 3.09Å
184L98.6Very high97.5Very high14 Ų1428.5 Ų28.57%0.07314%0.139CC..Hα-helixtrans-61.2-40.8172-69.8164.9000111L85 L133 V180 S181 M186 W187 A188 F203 C206 A207L85-L184 HydrophobicContact CD2-CD1 4.1Å; L133-L184 HydrophobicContact CD2-CD2 4.33Å; V180-L184 HydrophobicContact CG1-CD1 4.06Å; V180-L184 WeakPolarHBondContact O-CB 3.31Å; V180-L184 VanDerWaalsContact O-CG 3.22Å; V180-L184 WeakPolarHBondContact O-CG 3.21Å; V180-L184 PolarHBondContact O-N 3.44Å; S181-L184 PolarHBondContact O-N 3.18Å; L184-M186 VanDerWaalsContact C-N 3.33Å; L184-M186 PolarHBondContact O-N 3.09Å; L184-W187 WeakPolarHBondContact O-CB 3.38Å; L184-W187 PolarHBondContact O-N 3.34Å; L184-A188 PolarHBondContact O-N 2.85Å; L184-F203 HydrophobicContact CD2-CD1 3.78Å; L184-F203 HydrophobicContact CD2-CE1 4.23Å; L184-C206 HydrophobicContact CD1-CB 4.06Å; L184-C206 HydrophobicContact CD2-CB 4.09Å; L184-A207 HydrophobicContact CB-CB 3.7Å
185F98Very high97.3Very high40 Ų4031.8 Ų31.818%0.17516%0.159CC..Hα-helixtrans-64.1-36.9172.1177.3-118.3000112.8S181 L182 G183 A188 T189 F204 A207 H217 I221S181-F185 PolarHBondContact O-N 3.1Å; L182-F185 PolarHBondContact O-N 3.25Å; G183-F185 VanDerWaalsContact C-N 3.31Å; G183-F185 PolarHBondContact O-N 3.37Å; F185-A188 WeakPolarHBondContact O-CB 3.4Å; F185-A188 PolarHBondContact O-N 3.21Å; F185-T189 PolarHBondContact O-N 3.39Å; F185-T189 PolarHBondContact O-OG1 3.48Å; F185-F204 AromaticContact CD2-CD2 3.74Å; F185-F204 HydrophobicContact CD2-CD2 3.74Å; F185-F204 AromaticContact CD2-CE2 3.9Å; F185-F204 HydrophobicContact CD2-CE2 3.9Å; F185-F204 HydrophobicContact CE2-CD2 4.24Å; F185-F204 HydrophobicContact CE2-CE2 4.16Å; F185-A207 HydrophobicContact CB-CB 4.26Å; F185-H217 HydrophobicContact CD2-CB 4.43Å; F185-H217 AromaticContact CE1-CD2 3.96Å; F185-H217 AromaticContact CE1-CG 3.99Å; F185-H217 HydrophobicContact CE2-CB 3.8Å; F185-H217 HydrophobicContact CZ-CB 3.91Å; F185-H217 AromaticContact CZ-CD2 3.85Å; F185-H217 AromaticContact CZ-CG 3.72Å; F185-I221 HydrophobicContact CE2-CD1 4.08Å; F185-I221 HydrophobicContact CE2-CG1 4.42Å
186M97.3Very high97.3Very high22 Ų2235.5 Ų35.511%0.10818%0.178CC..Hα-helixtrans-66.7-40.8175.8-165.362.3177.700111.4P137 Y141 I161 L182 G183 L184 A188 T189 V190P137-M186 HydrophobicContact CB-CB 4.2Å; P137-M186 HydrophobicContact CB-CG 3.95Å; P137-M186 HydrophobicContact CG-CB 4.07Å; P137-M186 HydrophobicContact CG-CG 4.12Å; Y141-M186 HydrophobicContact CD1-CE 3.48Å; Y141-M186 VanDerWaalsContact CD1-CE 3.48Å; Y141-M186 HydrophobicContact CD2-CE 3.98Å; Y141-M186 HydrophobicContact CE1-CE 4.23Å; Y141-M186 HydrophobicContact CG-CE 3.33Å; I161-M186 HydrophobicContact CD1-CE 4.26Å; L182-M186 WeakPolarHBondContact O-CB 3.23Å; L182-M186 PolarHBondContact O-N 3.27Å; G183-M186 CarbonylContact O-C 3.38Å; G183-M186 WeakPolarHBondContact O-CB 3.47Å; G183-M186 PolarHBondContact O-N 3.19Å; G183-M186 VanDerWaalsContact O-N 3.12Å; L184-M186 VanDerWaalsContact C-N 3.33Å; L184-M186 PolarHBondContact O-N 3.09Å; M186-A188 VanDerWaalsContact C-N 3.35Å; M186-T189 WeakPolarHBondContact O-CB 3.34Å; M186-T189 PolarHBondContact O-N 3.38Å; M186-V190 WeakPolarHBondContact O-CG2 3.46Å; M186-V190 PolarHBondContact O-N 3.15Å
187W98.3Very high97.2Very high40 Ų4039.3 Ų39.315%0.15220%0.199CC..Hα-helixtrans-57.5-46.9169.3-86.4109000111.4F132 L136 P137 L140 G183 L184 T189 V190 M191 F203F132-W187 PolarHBondContact O-NE1 2.95Å; L136-W187 HydrophobicContact CB-CZ2 4.49Å; L136-W187 HydrophobicContact CD2-CH2 4.32Å; L136-W187 HydrophobicContact CD2-CZ2 3.87Å; L136-W187 HydrophobicContact CG-CH2 4.38Å; L136-W187 HydrophobicContact CG-CZ2 3.99Å; P137-W187 HydrophobicContact CB-CD2 3.8Å; P137-W187 HydrophobicContact CB-CE3 4.33Å; P137-W187 HydrophobicContact CB-CG 3.86Å; P137-W187 HydrophobicContact CB-CZ2 4.47Å; P137-W187 HydrophobicContact CG-CD2 4.23Å; P137-W187 HydrophobicContact CG-CG 4.02Å; L140-W187 HydrophobicContact CD1-CH2 3.53Å; L140-W187 HydrophobicContact CD1-CZ2 4.45Å; L140-W187 HydrophobicContact CD1-CZ3 3.65Å; G183-W187 VanDerWaalsContact O-CD1 3.31Å; G183-W187 PolarHBondContact O-N 3.09Å; L184-W187 WeakPolarHBondContact O-CB 3.38Å; L184-W187 PolarHBondContact O-N 3.34Å; W187-T189 VanDerWaalsContact C-N 3.32Å; W187-T189 PolarHBondContact O-N 2.9Å; W187-V190 PolarHBondContact O-N 3.43Å; W187-M191 HydrophobicContact CE3-CE 3.67Å; W187-M191 HydrophobicContact CZ3-CE 3.73Å; W187-M191 VanDerWaalsContact O-CG 3.24Å; W187-M191 WeakPolarHBondContact O-CG 3.41Å; W187-M191 PolarHBondContact O-N 3.41Å; W187-F203 HydrophobicContact CB-CB 4.14Å; W187-F203 HydrophobicContact CB-CD1 3.69Å; W187-F203 HydrophobicContact CB-CD2 4.02Å; W187-F203 HydrophobicContact CB-CE1 4.04Å; W187-F203 HydrophobicContact CB-CE2 4.36Å; W187-F203 HydrophobicContact CB-CG 3.69Å; W187-F203 HydrophobicContact CB-CZ 4.36Å; W187-F203 HydrophobicContact CD2-CZ 4.35Å; W187-F203 HydrophobicContact CE3-CZ 4.5Å; W187-F203 HydrophobicContact CG-CD1 4.18Å; W187-F203 HydrophobicContact CG-CE1 4.05Å; W187-F203 HydrophobicContact CG-CZ 4.32Å
188A98Very high97.2Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-57.4-46.1175.900000111.8L184 F185 M186 V190 M191 F192 A200 F203 F204L184-A188 PolarHBondContact O-N 2.85Å; F185-A188 WeakPolarHBondContact O-CB 3.4Å; F185-A188 PolarHBondContact O-N 3.21Å; M186-A188 VanDerWaalsContact C-N 3.35Å; A188-V190 PolarHBondContact O-N 2.83Å; A188-M191 PolarHBondContact O-N 2.86Å; A188-M191 VanDerWaalsContact O-N 3.15Å; A188-F192 HydrophobicContact CB-CE2 4.35Å; A188-F192 WeakPolarHBondContact O-CD2 3.46Å; A188-F192 PolarHBondContact O-N 3.42Å; A188-A200 VanDerWaalsContact CB-O 3.28Å; A188-A200 WeakPolarHBondContact CB-O 3.4Å; A188-A200 WeakPolarHBondContact O-CB 3.23Å; A188-F203 HydrophobicContact CB-CB 3.91Å; A188-F204 HydrophobicContact CB-CB 3.95Å
189T96.6Very high97.2Very high30 Ų3050.1 Ų50.118%0.18425%0.251CS..Hα-helixtrans-59.7-45.8177.8-57.20000112.1Y141 F185 M186 W187 M191 F192 E193Y141-T189 HydrophobicContact CD2-CG2 4.35Å; Y141-T189 HydrophobicContact CE2-CG2 4.01Å; F185-T189 PolarHBondContact O-N 3.39Å; F185-T189 PolarHBondContact O-OG1 3.48Å; M186-T189 WeakPolarHBondContact O-CB 3.34Å; M186-T189 PolarHBondContact O-N 3.38Å; W187-T189 VanDerWaalsContact C-N 3.32Å; W187-T189 PolarHBondContact O-N 2.9Å; T189-M191 VanDerWaalsContact C-N 3.29Å; T189-M191 PolarHBondContact O-N 2.93Å; T189-F192 PolarHBondContact O-N 3.37Å; T189-E193 VanDerWaalsContact O-CG 3.23Å; T189-E193 WeakPolarHBondContact O-CG 3.12Å; T189-E193 PolarHBondContact O-N 2.87Å
190V97.3Very high97.2Very high8 Ų850.1 Ų50.15%0.04825%0.251CS..Hα-helixtrans-59.2-42.1175.5172.70000110.9P137 L140 Y141 M186 W187 A188 E193 N194P137-V190 HydrophobicContact CB-CG2 4.25Å; P137-V190 WeakPolarHBondContact O-CG2 3.36Å; L140-V190 HydrophobicContact CB-CG1 4.21Å; Y141-V190 HydrophobicContact CD2-CG2 4.29Å; M186-V190 WeakPolarHBondContact O-CG2 3.46Å; M186-V190 PolarHBondContact O-N 3.15Å; W187-V190 PolarHBondContact O-N 3.43Å; A188-V190 PolarHBondContact O-N 2.83Å; V190-E193 PolarHBondContact O-N 3.01Å; V190-N194 PolarHBondContact O-N 2.96Å; V190-N194 PolarHBondContact O-ND2 3.16Å
191M97.3Very high97.2Very high30 Ų3052.2 Ų52.215%0.14827%0.266CS..Hα-helixtrans-69.5-41.7-179.3-64.9-64.816900112.1W187 A188 T189 E193 N194 D195 L196 F199 A200 F203W187-M191 HydrophobicContact CE3-CE 3.67Å; W187-M191 HydrophobicContact CZ3-CE 3.73Å; W187-M191 VanDerWaalsContact O-CG 3.24Å; W187-M191 WeakPolarHBondContact O-CG 3.41Å; W187-M191 PolarHBondContact O-N 3.41Å; A188-M191 PolarHBondContact O-N 2.86Å; A188-M191 VanDerWaalsContact O-N 3.15Å; T189-M191 VanDerWaalsContact C-N 3.29Å; T189-M191 PolarHBondContact O-N 2.93Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 3.32Å; M191-N194 CarbonylContact O-C 3.58Å; M191-N194 PolarHBondContact O-N 2.92Å; M191-N194 VanDerWaalsContact O-N 3.1Å; M191-D195 PolarHBondContact O-N 3.45Å; M191-L196 HydrophobicContact CB-CB 4.05Å; M191-L196 WeakPolarHBondContact O-CB 3.24Å; M191-L196 PolarHBondContact O-N 3.26Å; M191-L196 HydrophobicContact SD-CB 4.14Å; M191-L196 HydrophobicContact SD-CD1 3.53Å; M191-L196 VanDerWaalsContact SD-CD1 3.53Å; M191-L196 HydrophobicContact SD-CG 4.49Å; M191-F199 HydrophobicContact CB-CB 4.45Å; M191-F199 HydrophobicContact CG-CB 4.1Å; M191-F199 HydrophobicContact SD-CB 4.17Å; M191-A200 HydrophobicContact CB-CB 3.61Å; M191-F203 HydrophobicContact CE-CE2 4.24Å; M191-F203 HydrophobicContact CG-CD2 4.31Å
192F96.2Very high97.2Very high56 Ų5658.1 Ų58.125%0.24629%0.291CS..Hα-helixtrans-60-42.9174.1-78.6-55.9000112.1A188 T189 N194 D195 A200 I221A188-F192 HydrophobicContact CB-CE2 4.35Å; A188-F192 WeakPolarHBondContact O-CD2 3.46Å; A188-F192 PolarHBondContact O-N 3.42Å; T189-F192 PolarHBondContact O-N 3.37Å; F192-N194 PolarHBondContact O-N 3.2Å; F192-N194 VanDerWaalsContact O-N 3.11Å; F192-D195 PolarHBondContact O-N 3.34Å; F192-D195 VanDerWaalsContact O-N 3.12Å; F192-A200 HydrophobicContact CB-CB 4.37Å; F192-A200 HydrophobicContact CD1-CB 3.47Å; F192-A200 VanDerWaalsContact CD1-CB 3.47Å; F192-A200 HydrophobicContact CD2-CB 3.58Å; F192-A200 HydrophobicContact CE1-CB 3.46Å; F192-A200 VanDerWaalsContact CE1-CB 3.46Å; F192-A200 HydrophobicContact CE2-CB 3.53Å; F192-A200 HydrophobicContact CG-CB 3.52Å; F192-A200 HydrophobicContact CZ-CB 3.48Å; F192-A200 VanDerWaalsContact CZ-CB 3.48Å; F192-I221 HydrophobicContact CD2-CD1 4.09Å; F192-I221 HydrophobicContact CE2-CD1 3.69Å; F192-I221 HydrophobicContact CE2-CG2 3.88Å; F192-I221 HydrophobicContact CZ-CD1 4.5Å; F192-I221 HydrophobicContact CZ-CG2 3.74Å
193E94.1Very high97.2Very high91 Ų9157.1 Ų57.143%0.42529%0.285SS..THydrogen-bonded Turntrans-66.4-12.1177.7-68.9-88.1167.800113.7Y141 K145 T189 V190 M191Y141-E193 HydrophobicContact CE2-CG 4.41Å; K145-E193 IonicContact NZ-OE1 3.27Å; K145-E193 PolarHBondContact NZ-OE1 3.43Å; K145-E193 IonicContact NZ-OE2 2.73Å; K145-E193 PolarHBondContact NZ-OE2 3.22Å; T189-E193 VanDerWaalsContact O-CG 3.23Å; T189-E193 WeakPolarHBondContact O-CG 3.12Å; T189-E193 PolarHBondContact O-N 2.87Å; V190-E193 PolarHBondContact O-N 3.01Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 3.32Å
194N94.4Very high97.3Very high78 Ų7857.2 Ų57.242%0.41729%0.285SS..THydrogen-bonded Turntrans-114.920.4176.8-69.6-90.7000112.3V190 M191 F192 L196V190-N194 PolarHBondContact O-N 2.96Å; V190-N194 PolarHBondContact O-ND2 3.16Å; M191-N194 CarbonylContact O-C 3.58Å; M191-N194 PolarHBondContact O-N 2.92Å; M191-N194 VanDerWaalsContact O-N 3.1Å; F192-N194 PolarHBondContact O-N 3.2Å; F192-N194 VanDerWaalsContact O-N 3.11Å; N194-L196 HydrophobicContact CB-CD1 4.47Å; N194-L196 HydrophobicContact CB-CG 4.48Å; N194-L196 PolarHBondContact O-N 3.24Å
195D95.6Very high97.2Very high143 Ų14360 Ų6077%0.76530%0.302SS*.THydrogen-bonded Turntrans58.330.9177.9-52.2-56.5000113.8M191 F192M191-D195 PolarHBondContact O-N 3.45Å; F192-D195 PolarHBondContact O-N 3.34Å; F192-D195 VanDerWaalsContact O-N 3.12Å
196L97Very high97.3Very high77 Ų7759.2 Ų59.240%0.40330%0.301SS..  trans-10355.9179.9-64.9176.8000112M191 N194 I198 F199 A200M191-L196 HydrophobicContact CB-CB 4.05Å; M191-L196 WeakPolarHBondContact O-CB 3.24Å; M191-L196 PolarHBondContact O-N 3.26Å; M191-L196 HydrophobicContact SD-CB 4.14Å; M191-L196 HydrophobicContact SD-CD1 3.53Å; M191-L196 VanDerWaalsContact SD-CD1 3.53Å; M191-L196 HydrophobicContact SD-CG 4.49Å; N194-L196 HydrophobicContact CB-CD1 4.47Å; N194-L196 HydrophobicContact CB-CG 4.48Å; N194-L196 PolarHBondContact O-N 3.24Å; L196-I198 VanDerWaalsContact C-N 3.31Å; L196-I198 PolarHBondContact O-N 2.96Å; L196-I198 VanDerWaalsContact O-N 3.14Å; L196-F199 HydrophobicContact CB-CD2 4.4Å; L196-F199 PolarHBondContact O-N 3.24Å; L196-F199 VanDerWaalsContact O-N 3.08Å; L196-A200 WeakPolarHBondContact O-CB 3.45Å; L196-A200 PolarHBondContact O-N 3.14Å
197D96.9Very high97.3Very high96 Ų9658.1 Ų58.151%0.51330%0.296SS..Hα-helixtrans-55.7-36.4-168.2-61.5-22.4000115A200 S201D197-A200 PolarHBondContact O-N 3.15Å; D197-S201 VanDerWaalsContact O-CB 3.31Å; D197-S201 WeakPolarHBondContact O-CB 3.32Å; D197-S201 PolarHBondContact O-N 2.95Å; D197-S201 PolarHBondContact O-OG 2.95Å
198I98Very high97.3Very high143 Ų14358 Ų5873%0.73330%0.298SS*.Hα-helixtrans-65.4-47179.2-63.9174.4000110.6L196 A200 S201 F202L196-I198 VanDerWaalsContact C-N 3.31Å; L196-I198 PolarHBondContact O-N 2.96Å; L196-I198 VanDerWaalsContact O-N 3.14Å; I198-A200 VanDerWaalsContact C-N 3.34Å; I198-S201 PolarHBondContact O-N 3.38Å; I198-F202 PolarHBondContact O-N 3.17Å
199F98.2Very high97.3Very high118 Ų11860.4 Ų60.452%0.51832%0.315SS..Hα-helixtrans-69.4-38.4178-68.7-69.1000110.8M191 L196 S201 F202 F203M191-F199 HydrophobicContact CB-CB 4.45Å; M191-F199 HydrophobicContact CG-CB 4.1Å; M191-F199 HydrophobicContact SD-CB 4.17Å; L196-F199 HydrophobicContact CB-CD2 4.4Å; L196-F199 PolarHBondContact O-N 3.24Å; L196-F199 VanDerWaalsContact O-N 3.08Å; F199-S201 PolarHBondContact O-N 3.07Å; F199-F202 WeakPolarHBondContact O-CB 3.44Å; F199-F202 PolarHBondContact O-N 3.32Å; F199-F203 WeakPolarHBondContact O-CD2 3.18Å; F199-F203 PolarHBondContact O-N 3.22Å
200A98Very high97.4Very high0 Ų059.2 Ų59.20%031%0.307CS..Hα-helixtrans-58.9-47.5175.700000111.7A188 M191 F192 L196 D197 I198 F202 F203 F204A188-A200 VanDerWaalsContact CB-O 3.28Å; A188-A200 WeakPolarHBondContact CB-O 3.4Å; A188-A200 WeakPolarHBondContact O-CB 3.23Å; M191-A200 HydrophobicContact CB-CB 3.61Å; F192-A200 HydrophobicContact CB-CB 4.37Å; F192-A200 HydrophobicContact CD1-CB 3.47Å; F192-A200 VanDerWaalsContact CD1-CB 3.47Å; F192-A200 HydrophobicContact CD2-CB 3.58Å; F192-A200 HydrophobicContact CE1-CB 3.46Å; F192-A200 VanDerWaalsContact CE1-CB 3.46Å; F192-A200 HydrophobicContact CE2-CB 3.53Å; F192-A200 HydrophobicContact CG-CB 3.52Å; F192-A200 HydrophobicContact CZ-CB 3.48Å; F192-A200 VanDerWaalsContact CZ-CB 3.48Å; L196-A200 WeakPolarHBondContact O-CB 3.45Å; L196-A200 PolarHBondContact O-N 3.14Å; D197-A200 PolarHBondContact O-N 3.15Å; I198-A200 VanDerWaalsContact C-N 3.34Å; A200-F202 PolarHBondContact O-N 3.41Å; A200-F203 PolarHBondContact O-N 3.32Å; A200-F204 WeakPolarHBondContact O-CB 3.08Å; A200-F204 PolarHBondContact O-N 2.66Å
201S97.8Very high97.4Very high49 Ų4959.9 Ų59.934%0.34331%0.309SS..Hα-helixtrans-61-43.6175.8-58.60000112.1D197 I198 F199 F204 V205D197-S201 VanDerWaalsContact O-CB 3.31Å; D197-S201 WeakPolarHBondContact O-CB 3.32Å; D197-S201 PolarHBondContact O-N 2.95Å; D197-S201 PolarHBondContact O-OG 2.95Å; I198-S201 PolarHBondContact O-N 3.38Å; F199-S201 PolarHBondContact O-N 3.07Å; S201-F204 PolarHBondContact O-N 3.26Å; S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.45Å; S201-V205 PolarHBondContact O-N 3.34Å
202F98.3Very high97.4Very high124 Ų12462.1 Ų62.154%0.54432%0.319SS..Hα-helixtrans-58-51.1176.1170.8-96.1000111.6I198 F199 A200 F204 V205 C206I198-F202 PolarHBondContact O-N 3.17Å; F199-F202 WeakPolarHBondContact O-CB 3.44Å; F199-F202 PolarHBondContact O-N 3.32Å; A200-F202 PolarHBondContact O-N 3.41Å; F202-F204 VanDerWaalsContact C-N 3.34Å; F202-F204 PolarHBondContact O-N 3.39Å; F202-V205 PolarHBondContact O-N 2.88Å; F202-C206 PolarHBondContact O-N 2.91Å; F202-C206 PolarHBondContact O-SG 3.47Å; F202-C206 VanDerWaalsContact O-SG 3.36Å
203F98.4Very high97.4Very high41 Ų4163.8 Ų63.818%0.1833%0.329CS..Hα-helixtrans-64.6-37.8179.5-81.6-67.3000112.5L184 W187 A188 M191 F199 A200 C206 A207L184-F203 HydrophobicContact CD2-CD1 3.78Å; L184-F203 HydrophobicContact CD2-CE1 4.23Å; W187-F203 HydrophobicContact CB-CB 4.14Å; W187-F203 HydrophobicContact CB-CD1 3.69Å; W187-F203 HydrophobicContact CB-CD2 4.02Å; W187-F203 HydrophobicContact CB-CE1 4.04Å; W187-F203 HydrophobicContact CB-CE2 4.36Å; W187-F203 HydrophobicContact CB-CG 3.69Å; W187-F203 HydrophobicContact CB-CZ 4.36Å; W187-F203 HydrophobicContact CD2-CZ 4.35Å; W187-F203 HydrophobicContact CE3-CZ 4.5Å; W187-F203 HydrophobicContact CG-CD1 4.18Å; W187-F203 HydrophobicContact CG-CE1 4.05Å; W187-F203 HydrophobicContact CG-CZ 4.32Å; A188-F203 HydrophobicContact CB-CB 3.91Å; M191-F203 HydrophobicContact CE-CE2 4.24Å; M191-F203 HydrophobicContact CG-CD2 4.31Å; F199-F203 WeakPolarHBondContact O-CD2 3.18Å; F199-F203 PolarHBondContact O-N 3.22Å; A200-F203 PolarHBondContact O-N 3.32Å; F203-C206 WeakPolarHBondContact O-CB 3.26Å; F203-C206 PolarHBondContact O-N 3.15Å; F203-A207 PolarHBondContact O-N 3.3Å
204F98.3Very high97.5Very high1 Ų159.8 Ų59.80%0.00431%0.31CS..Hα-helixtrans-66.4-42.1177-174.2-123.9000112.2F185 A188 A200 S201 F202 C206 A207 L208 H217 A218 I221 F222F185-F204 AromaticContact CD2-CD2 3.74Å; F185-F204 HydrophobicContact CD2-CD2 3.74Å; F185-F204 AromaticContact CD2-CE2 3.9Å; F185-F204 HydrophobicContact CD2-CE2 3.9Å; F185-F204 HydrophobicContact CE2-CD2 4.24Å; F185-F204 HydrophobicContact CE2-CE2 4.16Å; A188-F204 HydrophobicContact CB-CB 3.95Å; A200-F204 WeakPolarHBondContact O-CB 3.08Å; A200-F204 PolarHBondContact O-N 2.66Å; S201-F204 PolarHBondContact O-N 3.26Å; F202-F204 VanDerWaalsContact C-N 3.34Å; F202-F204 PolarHBondContact O-N 3.39Å; F204-C206 VanDerWaalsContact C-N 3.32Å; F204-C206 PolarHBondContact O-N 2.8Å; F204-A207 WeakPolarHBondContact O-CB 3.44Å; F204-A207 PolarHBondContact O-N 2.6Å; F204-A207 VanDerWaalsContact O-N 3.15Å; F204-L208 HydrophobicContact CD1-CD1 4.12Å; F204-L208 HydrophobicContact CE1-CD1 3.82Å; F204-L208 HydrophobicContact CE1-CG 4.35Å; F204-L208 HydrophobicContact CE2-CG 4.45Å; F204-L208 HydrophobicContact CZ-CD1 4.16Å; F204-L208 HydrophobicContact CZ-CD2 4.2Å; F204-L208 HydrophobicContact CZ-CG 4.22Å; F204-L208 WeakPolarHBondContact O-CG 3.39Å; F204-L208 PolarHBondContact O-N 3.33Å; F204-H217 HydrophobicContact CE2-CB 3.99Å; F204-H217 HydrophobicContact CZ-CB 4.21Å; F204-A218 HydrophobicContact CE1-CB 4.11Å; F204-A218 HydrophobicContact CZ-CB 4.03Å; F204-I221 HydrophobicContact CD1-CB 4.17Å; F204-I221 HydrophobicContact CD1-CG1 4.22Å; F204-I221 HydrophobicContact CD1-CG2 3.7Å; F204-I221 HydrophobicContact CD2-CG1 4.4Å; F204-I221 HydrophobicContact CE1-CB 3.94Å; F204-I221 HydrophobicContact CE1-CG1 3.98Å; F204-I221 HydrophobicContact CE1-CG2 3.97Å; F204-I221 HydrophobicContact CE2-CG1 4.19Å; F204-I221 HydrophobicContact CG-CG1 4.42Å; F204-I221 HydrophobicContact CG-CG2 4.3Å; F204-I221 HydrophobicContact CZ-CB 4.39Å; F204-I221 HydrophobicContact CZ-CG1 3.98Å; F204-F222 HydrophobicContact CD1-CE2 4.04Å; F204-F222 HydrophobicContact CD1-CZ 4.02Å; F204-F222 HydrophobicContact CE1-CD2 4.41Å; F204-F222 AromaticContact CE1-CE2 3.63Å; F204-F222 HydrophobicContact CE1-CE2 3.63Å; F204-F222 HydrophobicContact CE1-CZ 4.1Å
205V98.2Very high97.6Very high73 Ų7361.3 Ų61.344%0.44232%0.318SS..Hα-helixtrans-62.8-40.7173.4173.10000110.8S201 F202 A207 L208 C209S201-V205 VanDerWaalsContact O-CG2 3.31Å; S201-V205 WeakPolarHBondContact O-CG2 3.45Å; S201-V205 PolarHBondContact O-N 3.34Å; F202-V205 PolarHBondContact O-N 2.88Å; V205-A207 VanDerWaalsContact C-N 3.32Å; V205-A207 PolarHBondContact O-N 3.25Å; V205-L208 PolarHBondContact O-N 2.73Å; V205-C209 WeakPolarHBondContact O-CB 3.38Å; V205-C209 PolarHBondContact O-N 3.32Å; V205-C209 PolarHBondContact O-SG 3.16Å; V205-C209 VanDerWaalsContact O-SG 3.33Å
206C98.5Very high97.7Very high23 Ų2363 Ų6316%0.15532%0.315CS..Hα-helixtrans-60.2-41.3172.7-71.50000112.1L85 L184 F202 F203 F204 C209 Y210L85-C206 HydrophobicContact CD2-CB 3.92Å; L85-C206 WeakPolarHBondContact CD2-O 3.18Å; L184-C206 HydrophobicContact CD1-CB 4.06Å; L184-C206 HydrophobicContact CD2-CB 4.09Å; F202-C206 PolarHBondContact O-N 2.91Å; F202-C206 PolarHBondContact O-SG 3.47Å; F202-C206 VanDerWaalsContact O-SG 3.36Å; F203-C206 WeakPolarHBondContact O-CB 3.26Å; F203-C206 PolarHBondContact O-N 3.15Å; F204-C206 VanDerWaalsContact C-N 3.32Å; F204-C206 PolarHBondContact O-N 2.8Å; C206-C209 CarbonylContact O-C 3.45Å; C206-C209 PolarHBondContact O-N 2.77Å; C206-Y210 WeakPolarHBondContact O-CB 3.38Å; C206-Y210 PolarHBondContact O-N 3.33Å
207A98.5Very high97.6Very high0 Ų062.6 Ų62.60%031%0.311CS..Hα-helixtrans-59.4-47.517600000111.1L184 F185 F203 F204 V205 C209 Y210 K211 E214L184-A207 HydrophobicContact CB-CB 3.7Å; F185-A207 HydrophobicContact CB-CB 4.26Å; F203-A207 PolarHBondContact O-N 3.3Å; F204-A207 WeakPolarHBondContact O-CB 3.44Å; F204-A207 PolarHBondContact O-N 2.6Å; F204-A207 VanDerWaalsContact O-N 3.15Å; V205-A207 VanDerWaalsContact C-N 3.32Å; V205-A207 PolarHBondContact O-N 3.25Å; A207-C209 VanDerWaalsContact C-N 3.35Å; A207-C209 PolarHBondContact O-N 3.27Å; A207-Y210 WeakPolarHBondContact O-CB 3.42Å; A207-Y210 PolarHBondContact O-N 3.4Å; A207-K211 PolarHBondContact O-N 3.5Å; A207-E214 HydrophobicContact CB-CB 4.39Å; A207-E214 HydrophobicContact CB-CG 3.96Å
208L97.8Very high97.5Very high36 Ų3658.6 Ų58.619%0.18829%0.291CS..Hα-helixtrans-60-41.5174.6-67.2170.4000112.6F204 V205 Y210 K211 E214 L215F204-L208 HydrophobicContact CD1-CD1 4.12Å; F204-L208 HydrophobicContact CE1-CD1 3.82Å; F204-L208 HydrophobicContact CE1-CG 4.35Å; F204-L208 HydrophobicContact CE2-CG 4.45Å; F204-L208 HydrophobicContact CZ-CD1 4.16Å; F204-L208 HydrophobicContact CZ-CD2 4.2Å; F204-L208 HydrophobicContact CZ-CG 4.22Å; F204-L208 WeakPolarHBondContact O-CG 3.39Å; F204-L208 PolarHBondContact O-N 3.33Å; V205-L208 PolarHBondContact O-N 2.73Å; L208-Y210 PolarHBondContact O-N 2.82Å; L208-K211 CarbonylContact O-C 3.6Å; L208-E214 VanDerWaalsContact CD2-C 3.44Å; L208-E214 HydrophobicContact CD2-CB 3.82Å; L208-E214 HydrophobicContact CG-CB 4.41Å; L208-L215 HydrophobicContact CD2-CB 4.06Å; L208-L215 HydrophobicContact CD2-CD1 4.17Å; L208-L215 VanDerWaalsContact CD2-N 3.27Å
209C98.3Very high97.4Very high52 Ų5256.8 Ų56.835%0.35129%0.288SS..Hα-helixtrans-73.9-9.3177.2-69.40000113.6P83 L85 V205 C206 A207P83-C209 CarbonylContact C-O 3.35Å; P83-C209 VanDerWaalsContact CB-O 3.31Å; P83-C209 WeakPolarHBondContact CB-O 3.37Å; L85-C209 HydrophobicContact CB-CB 4.07Å; L85-C209 WeakPolarHBondContact CB-O 3.33Å; L85-C209 PolarHBondContact N-O 3.4Å; V205-C209 WeakPolarHBondContact O-CB 3.38Å; V205-C209 PolarHBondContact O-N 3.32Å; V205-C209 PolarHBondContact O-SG 3.16Å; V205-C209 VanDerWaalsContact O-SG 3.33Å; C206-C209 CarbonylContact O-C 3.45Å; C206-C209 PolarHBondContact O-N 2.77Å; A207-C209 VanDerWaalsContact C-N 3.35Å; A207-C209 PolarHBondContact O-N 3.27Å
210Y98.6Very high97.2Very high4 Ų455.6 Ų55.62%0.01630%0.3CS..Hα-helixtrans-95.7-49.2173.4-165.8-85.1000111.7P83 L85 T86 H89 Y177 V180 C206 A207 L208P83-Y210 VanDerWaalsContact CD-O 3.31Å; P83-Y210 WeakPolarHBondContact CD-O 3.43Å; L85-Y210 HydrophobicContact CB-CD2 4.37Å; L85-Y210 HydrophobicContact CD2-CD2 4.37Å; L85-Y210 HydrophobicContact CG-CD2 4.1Å; T86-Y210 PolarHBondContact OG1-O 2.88Å; H89-Y210 HydrophobicContact CB-CE2 3.81Å; H89-Y210 PolarHBondContact CE1-OH 3.07Å; H89-Y210 AromaticContact CG-CE2 3.94Å; H89-Y210 AromaticContact ND1-CE2 3.57Å; H89-Y210 AromaticContact ND1-CZ 3.62Å; H89-Y210 PolarHBondContact ND1-OH 2.89Å; Y177-Y210 WeakPolarHBondContact CB-OH 3.23Å; Y177-Y210 WeakPolarHBondContact O-CE1 3.37Å; V180-Y210 HydrophobicContact CB-CD1 4.08Å; V180-Y210 HydrophobicContact CB-CD2 4.28Å; V180-Y210 HydrophobicContact CB-CE1 3.61Å; V180-Y210 HydrophobicContact CB-CE2 3.84Å; V180-Y210 HydrophobicContact CB-CG 4.38Å; V180-Y210 VanDerWaalsContact CB-CZ 3.46Å; V180-Y210 HydrophobicContact CG1-CD1 3.97Å; V180-Y210 HydrophobicContact CG1-CD2 3.39Å; V180-Y210 HydrophobicContact CG1-CE1 3.83Å; V180-Y210 HydrophobicContact CG1-CE2 3.23Å; V180-Y210 HydrophobicContact CG1-CG 3.75Å; V180-Y210 VanDerWaalsContact CG1-CZ 3.45Å; V180-Y210 HydrophobicContact CG2-CE1 4.33Å; V180-Y210 HydrophobicContact CG2-CE2 4.27Å; C206-Y210 WeakPolarHBondContact O-CB 3.38Å; C206-Y210 PolarHBondContact O-N 3.33Å; A207-Y210 WeakPolarHBondContact O-CB 3.42Å; A207-Y210 PolarHBondContact O-N 3.4Å; L208-Y210 PolarHBondContact O-N 2.82Å
211K97.8Very high96.9Very high23 Ų2357.7 Ų57.710%0.131%0.311CS..  trans-142.1119.9173.9-174.6171.3-92.3-159.30109.3Y82 N178 A207 L208 M213 E214Y82-K211 VanDerWaalsContact OH-CE 3.28Å; Y82-K211 WeakPolarHBondContact OH-CE 3.42Å; Y82-K211 PolarHBondContact OH-NZ 3.17Å; N178-K211 PolarHBondContact OD1-NZ 3.04Å; A207-K211 PolarHBondContact O-N 3.5Å; L208-K211 CarbonylContact O-C 3.6Å; K211-M213 HydrophobicContact CD-CB 4.39Å; K211-M213 HydrophobicContact CD-CG 4.3Å; K211-M213 HydrophobicContact CG-CB 4.09Å; K211-M213 HydrophobicContact CG-CG 4.06Å; K211-M213 PolarHBondContact O-N 2.78Å; K211-E214 PolarHBondContact O-N 3.26Å
212Q96.4Very high96.5Very high77 Ų7763.9 Ų63.936%0.3633%0.332SS..G310 helixtrans-59.3-17.3-176.866.4-84.42400113.9P83 E214 L215P83-Q212 HydrophobicContact CG-CB 4.32Å; Q212-E214 PolarHBondContact O-N 3.44Å; Q212-L215 WeakPolarHBondContact O-CB 3.4Å; Q212-L215 PolarHBondContact O-N 3.06Å; Q212-L215 VanDerWaalsContact O-N 3.09Å
213M96.5Very high96.4Very high90 Ų9060.9 Ų60.944%0.44332%0.321SS..G310 helixtrans-65.6-17.2176.1-58.3-61.2166.600112.9K211 L215 Y216K211-M213 HydrophobicContact CD-CB 4.39Å; K211-M213 HydrophobicContact CD-CG 4.3Å; K211-M213 HydrophobicContact CG-CB 4.09Å; K211-M213 HydrophobicContact CG-CG 4.06Å; K211-M213 PolarHBondContact O-N 2.78Å; M213-L215 PolarHBondContact O-N 2.73Å; M213-L215 VanDerWaalsContact O-N 3.17Å; M213-Y216 HydrophobicContact CB-CE2 4.31Å; M213-Y216 VanDerWaalsContact O-CD2 3.22Å; M213-Y216 WeakPolarHBondContact O-CD2 3.44Å; M213-Y216 VanDerWaalsContact O-CG 3.31Å; M213-Y216 PolarHBondContact O-N 2.87Å; M213-Y216 HydrophobicContact SD-CE2 4.07Å; M213-Y216 PolarHBondContact SD-OH 3.07Å
214E96.7Very high96.3Very high8 Ų861.9 Ų61.94%0.03733%0.329CS..G310 helixtrans-66.3-11.7171.6-64.4-62.3163.700113.2S181 L182 A207 L208 K211 Q212 Y216 H217S181-E214 VanDerWaalsContact OG-CD 3.31Å; S181-E214 WeakPolarHBondContact OG-CG 3.15Å; S181-E214 PolarHBondContact OG-OE1 3.02Å; L182-E214 PolarHBondContact N-OE1 3.25Å; A207-E214 HydrophobicContact CB-CB 4.39Å; A207-E214 HydrophobicContact CB-CG 3.96Å; L208-E214 VanDerWaalsContact CD2-C 3.44Å; L208-E214 HydrophobicContact CD2-CB 3.82Å; L208-E214 HydrophobicContact CG-CB 4.41Å; K211-E214 PolarHBondContact O-N 3.26Å; Q212-E214 PolarHBondContact O-N 3.44Å; E214-Y216 PolarHBondContact O-N 3.07Å; E214-Y216 VanDerWaalsContact O-N 3.11Å; E214-H217 PolarHBondContact O-N 2.86Å; E214-H217 IonicContact OE2-CE1 3.94Å; E214-H217 PolarHBondContact OE2-CE1 2.92Å; E214-H217 IonicContact OE2-ND1 2.78Å; E214-H217 PolarHBondContact OE2-ND1 3.41Å
215L96.5Very high96.2Very high110 Ų11065.3 Ų65.358%0.57635%0.347SS*.G310 helixtrans-60-22.5174-167.167.9000112L208 Q212 M213 H217 A218L208-L215 HydrophobicContact CD2-CB 4.06Å; L208-L215 HydrophobicContact CD2-CD1 4.17Å; L208-L215 VanDerWaalsContact CD2-N 3.27Å; Q212-L215 WeakPolarHBondContact O-CB 3.4Å; Q212-L215 PolarHBondContact O-N 3.06Å; Q212-L215 VanDerWaalsContact O-N 3.09Å; M213-L215 PolarHBondContact O-N 2.73Å; M213-L215 VanDerWaalsContact O-N 3.17Å; L215-H217 PolarHBondContact O-N 3.37Å; L215-A218 HydrophobicContact CD1-CB 3.97Å; L215-A218 VanDerWaalsContact O-CB 3.3Å; L215-A218 WeakPolarHBondContact O-CB 3.15Å; L215-A218 PolarHBondContact O-N 3.42Å
216Y96.7Very high96Very high179 Ų17964.8 Ų64.870%0.70234%0.341SS*.G310 helixtrans-61.6-23.7173.5-58.3-24.1000113.3M213 E214M213-Y216 HydrophobicContact CB-CE2 4.31Å; M213-Y216 VanDerWaalsContact O-CD2 3.22Å; M213-Y216 WeakPolarHBondContact O-CD2 3.44Å; M213-Y216 VanDerWaalsContact O-CG 3.31Å; M213-Y216 PolarHBondContact O-N 2.87Å; M213-Y216 HydrophobicContact SD-CE2 4.07Å; M213-Y216 PolarHBondContact SD-OH 3.07Å; E214-Y216 PolarHBondContact O-N 3.07Å; E214-Y216 VanDerWaalsContact O-N 3.11Å
217H95.2Very high95.9Very high68 Ų6867.4 Ų67.432%0.31535%0.353SS..G310 helixtrans-89.3-13.5176.2-58.5114.4000112.9F185 F204 E214 L215 A220 I221F185-H217 HydrophobicContact CD2-CB 4.43Å; F185-H217 AromaticContact CE1-CD2 3.96Å; F185-H217 AromaticContact CE1-CG 3.99Å; F185-H217 HydrophobicContact CE2-CB 3.8Å; F185-H217 HydrophobicContact CZ-CB 3.91Å; F185-H217 AromaticContact CZ-CD2 3.85Å; F185-H217 AromaticContact CZ-CG 3.72Å; F204-H217 HydrophobicContact CE2-CB 3.99Å; F204-H217 HydrophobicContact CZ-CB 4.21Å; E214-H217 PolarHBondContact O-N 2.86Å; E214-H217 IonicContact OE2-CE1 3.94Å; E214-H217 PolarHBondContact OE2-CE1 2.92Å; E214-H217 IonicContact OE2-ND1 2.78Å; E214-H217 PolarHBondContact OE2-ND1 3.41Å; L215-H217 PolarHBondContact O-N 3.37Å; H217-A220 PolarHBondContact O-N 2.76Å; H217-I221 WeakPolarHBondContact O-CG1 3.45Å; H217-I221 PolarHBondContact O-N 3.4Å
218A95.8Very high95.7Very high12 Ų1271.9 Ų71.910%0.09938%0.376CS..Hα-helixtrans-57.7-41.6-173.400000114.2F204 L215 A220 I221 F222F204-A218 HydrophobicContact CE1-CB 4.11Å; F204-A218 HydrophobicContact CZ-CB 4.03Å; L215-A218 HydrophobicContact CD1-CB 3.97Å; L215-A218 VanDerWaalsContact O-CB 3.3Å; L215-A218 WeakPolarHBondContact O-CB 3.15Å; L215-A218 PolarHBondContact O-N 3.42Å; A218-A220 PolarHBondContact O-N 3.33Å; A218-I221 PolarHBondContact O-N 3.43Å; A218-F222 HydrophobicContact CB-CD2 4.1Å; A218-F222 HydrophobicContact CB-CE2 4.25Å; A218-F222 WeakPolarHBondContact O-CD2 3.42Å; A218-F222 PolarHBondContact O-N 3.08Å
219P95.7Very high95.6Very high104 Ų10474.5 Ų74.568%0.67539%0.39SS*.Hα-helixtrans-65.2-16.7177.4-22.834.8000115.2
220A92.7Very high95.4Very high93 Ų9376.2 Ų76.277%0.76939%0.393SS*.Hα-helixtrans-89.1-18.1174.500000112.2H217 A218H217-A220 PolarHBondContact O-N 2.76Å; A218-A220 PolarHBondContact O-N 3.33Å
221I92.1Very high95.1Very high44 Ų4482.3 Ų82.323%0.22642%0.424CS..Hα-helixtrans-96.2-35.8-177-60.1-66.2000111.8F185 F192 F204 H217 A218F185-I221 HydrophobicContact CE2-CD1 4.08Å; F185-I221 HydrophobicContact CE2-CG1 4.42Å; F192-I221 HydrophobicContact CD2-CD1 4.09Å; F192-I221 HydrophobicContact CE2-CD1 3.69Å; F192-I221 HydrophobicContact CE2-CG2 3.88Å; F192-I221 HydrophobicContact CZ-CD1 4.5Å; F192-I221 HydrophobicContact CZ-CG2 3.74Å; F204-I221 HydrophobicContact CD1-CB 4.17Å; F204-I221 HydrophobicContact CD1-CG1 4.22Å; F204-I221 HydrophobicContact CD1-CG2 3.7Å; F204-I221 HydrophobicContact CD2-CG1 4.4Å; F204-I221 HydrophobicContact CE1-CB 3.94Å; F204-I221 HydrophobicContact CE1-CG1 3.98Å; F204-I221 HydrophobicContact CE1-CG2 3.97Å; F204-I221 HydrophobicContact CE2-CG1 4.19Å; F204-I221 HydrophobicContact CG-CG1 4.42Å; F204-I221 HydrophobicContact CG-CG2 4.3Å; F204-I221 HydrophobicContact CZ-CB 4.39Å; F204-I221 HydrophobicContact CZ-CG1 3.98Å; H217-I221 WeakPolarHBondContact O-CG1 3.45Å; H217-I221 PolarHBondContact O-N 3.4Å; A218-I221 PolarHBondContact O-N 3.43Å
222F88.9Confident94.8Very high179 Ų17987.6 Ų87.679%0.78545%0.453SS*.  trans-112.20-179.8-54.4-67.3000111.5F204 A218F204-F222 HydrophobicContact CD1-CE2 4.04Å; F204-F222 HydrophobicContact CD1-CZ 4.02Å; F204-F222 HydrophobicContact CE1-CD2 4.41Å; F204-F222 AromaticContact CE1-CE2 3.63Å; F204-F222 HydrophobicContact CE1-CE2 3.63Å; F204-F222 HydrophobicContact CE1-CZ 4.1Å; A218-F222 HydrophobicContact CB-CD2 4.1Å; A218-F222 HydrophobicContact CB-CE2 4.25Å; A218-F222 WeakPolarHBondContact O-CD2 3.42Å; A218-F222 PolarHBondContact O-N 3.08Å

Retrieved 222 of 222 residues in 365.9 ms (Link to these results)

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