A0A087XTF0_POEFO Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A087XTF0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 240 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
1M46.3Very low69.8Low143 Ų14378.9 Ų78.970%0.70445%0.454SS*.  0136.90-71.2-177.3-72.100108.3V3 V239 M240M1-V3 PolarHBondContact O-N 3.2Å; M1-V3 VanDerWaalsContact O-N 3.16Å; M1-V239 HydrophobicContact CE-CG2 3.64Å; M1-M240 HydrophobicContact CE-CE 3.8Å; M1-M240 HydrophobicContact CE-CG 3.21Å; M1-M240 HydrophobicContact CE-SD 3.71Å; M1-M240 HydrophobicContact SD-CG 4.43Å
2A45.9Very low71.5Confident80 Ų8084.1 Ų84.166%0.66146%0.462SS*.  trans-68.3113.6-173.800000110.6E4A2-E4 PolarHBondContact O-N 3.34Å
3V53.8Low73.1Confident17 Ų1779.5 Ų79.510%0.10344%0.438CS..  trans-34.9123.5164.51770000111.2M1 M7 K8M1-V3 PolarHBondContact O-N 3.2Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-M7 HydrophobicContact CB-CB 4.42Å; V3-M7 HydrophobicContact CG1-CB 2.94Å; V3-M7 HydrophobicContact CG1-CE 3.99Å; V3-M7 HydrophobicContact CG1-CG 4.15Å; V3-M7 HydrophobicContact CG1-SD 4.27Å; V3-K8 HydrophobicContact CB-CG 4.3Å; V3-K8 HydrophobicContact CG1-CG 4.36Å; V3-K8 WeakPolarHBondContact O-CE 3.34Å; V3-K8 WeakPolarHBondContact O-CG 3.43Å
4E65.6Low74.4Confident166 Ų16674.2 Ų74.278%0.77641%0.409SS*.  trans-68151.7179.7-80.8-176.4155.700112.5A2 G6 M7A2-E4 PolarHBondContact O-N 3.34Å; E4-G6 VanDerWaalsContact C-N 3.35Å; E4-G6 PolarHBondContact O-N 3.23Å; E4-M7 PolarHBondContact O-N 3.3Å
5G63.9Low75.6Confident54 Ų5472.8 Ų72.856%0.55740%0.397SS*.Hα-helixtrans-38.3-46.3-154.500000118.2M7 K8 F9G5-M7 VanDerWaalsContact C-N 3.34Å; G5-M7 PolarHBondContact O-N 3.15Å; G5-K8 WeakPolarHBondContact O-CB 3.34Å; G5-K8 PolarHBondContact O-N 2.82Å; G5-F9 PolarHBondContact O-N 2.79Å
6G71.1Confident76.8Confident58 Ų5875.8 Ų75.860%0.59841%0.405SS*.Hα-helixtrans-62.6-36.7-179.400000113.8E4 F9 V10E4-G6 VanDerWaalsContact C-N 3.35Å; E4-G6 PolarHBondContact O-N 3.23Å; G6-F9 WeakPolarHBondContact O-CB 3.27Å; G6-F9 PolarHBondContact O-N 3.12Å; G6-V10 PolarHBondContact O-N 2.68Å
7M78.4Confident77.7Confident65 Ų6577.6 Ų77.632%0.3241%0.409SS..Hα-helixtrans-80.1-21178.1-74.4-169.5-69.600112.2V3 E4 G5 V10 K11 G232V3-M7 HydrophobicContact CB-CB 4.42Å; V3-M7 HydrophobicContact CG1-CB 2.94Å; V3-M7 HydrophobicContact CG1-CE 3.99Å; V3-M7 HydrophobicContact CG1-CG 4.15Å; V3-M7 HydrophobicContact CG1-SD 4.27Å; E4-M7 PolarHBondContact O-N 3.3Å; G5-M7 VanDerWaalsContact C-N 3.34Å; G5-M7 PolarHBondContact O-N 3.15Å; M7-V10 PolarHBondContact O-N 3.06Å; M7-K11 PolarHBondContact O-N 3.02Å; M7-G232 WeakPolarHBondContact SD-CA 3.3Å
8K81.7Confident78.6Confident95 Ų9574 Ų7441%0.41339%0.39SS..Hα-helixtrans-64.4-42.5168.2-61.7-168.3-179179.60110.8V3 G5 K11 Y12V3-K8 HydrophobicContact CB-CG 4.3Å; V3-K8 HydrophobicContact CG1-CG 4.36Å; V3-K8 WeakPolarHBondContact O-CE 3.34Å; V3-K8 WeakPolarHBondContact O-CG 3.43Å; G5-K8 WeakPolarHBondContact O-CB 3.34Å; G5-K8 PolarHBondContact O-N 2.82Å; K8-K11 WeakPolarHBondContact O-CB 3.07Å; K8-K11 PolarHBondContact O-N 3.32Å; K8-Y12 HydrophobicContact CB-CE2 4.42Å; K8-Y12 WeakPolarHBondContact O-CD2 3.27Å; K8-Y12 PolarHBondContact O-N 2.93Å
9F85.7Confident79.5Confident142 Ų14274.9 Ų74.962%0.62339%0.391SS*.Hα-helixtrans-58.5-49.2175177.8-100.6000111.1G5 G6 K11 Y12 V13G5-F9 PolarHBondContact O-N 2.79Å; G6-F9 WeakPolarHBondContact O-CB 3.27Å; G6-F9 PolarHBondContact O-N 3.12Å; F9-K11 VanDerWaalsContact C-N 3.31Å; F9-K11 PolarHBondContact O-N 2.87Å; F9-Y12 PolarHBondContact O-N 2.83Å; F9-V13 HydrophobicContact CD1-CG2 4.12Å; F9-V13 HydrophobicContact CD2-CG2 4.13Å; F9-V13 HydrophobicContact CE1-CG2 3.77Å; F9-V13 HydrophobicContact CE2-CG2 3.78Å; F9-V13 HydrophobicContact CG-CG2 4.29Å; F9-V13 HydrophobicContact CZ-CG2 3.6Å; F9-V13 WeakPolarHBondContact O-CB 3.33Å; F9-V13 VanDerWaalsContact O-CG2 3.25Å; F9-V13 WeakPolarHBondContact O-CG2 3.41Å; F9-V13 PolarHBondContact O-N 2.84Å
10V87.2Confident80.3Confident16 Ų1674.7 Ų74.710%0.09739%0.389CS..Hα-helixtrans-56.3-44.1176.4176.90000111.6G6 M7 L14 F225G6-V10 PolarHBondContact O-N 2.68Å; M7-V10 PolarHBondContact O-N 3.06Å; V10-L14 VanDerWaalsContact O-CB 3.28Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 PolarHBondContact O-N 3.01Å; V10-F225 HydrophobicContact CG1-CB 3.79Å; V10-F225 HydrophobicContact CG1-CD1 4.22Å; V10-F225 HydrophobicContact CG1-CG 4.07Å
11K88.6Confident81Confident32 Ų3273.4 Ų73.414%0.13939%0.387CS..Hα-helixtrans-57.9-52.4176.5174.9-179175.9169.40112.2M7 K8 F9 L14 F15 A75 W76 E78 L229M7-K11 PolarHBondContact O-N 3.02Å; K8-K11 WeakPolarHBondContact O-CB 3.07Å; K8-K11 PolarHBondContact O-N 3.32Å; F9-K11 VanDerWaalsContact C-N 3.31Å; F9-K11 PolarHBondContact O-N 2.87Å; K11-L14 PolarHBondContact O-N 3.27Å; K11-F15 WeakPolarHBondContact O-CB 3.42Å; K11-F15 PolarHBondContact O-N 3.49Å; K11-A75 WeakPolarHBondContact CE-O 3.38Å; K11-W76 PolarHBondContact NZ-O 3.17Å; K11-E78 HydrophobicContact CD-CG 4.45Å; K11-E78 IonicContact NZ-OE1 3.73Å; K11-E78 PolarHBondContact NZ-OE1 2.99Å; K11-L229 HydrophobicContact CB-CD1 4.24Å
12Y90.3Very high83.4Confident141 Ų14167.9 Ų67.955%0.55336%0.359SS*.Hα-helixtrans-67.5-38.2-177.2-74.1-66000112.4K8 F9 F15 F16K8-Y12 HydrophobicContact CB-CE2 4.42Å; K8-Y12 WeakPolarHBondContact O-CD2 3.27Å; K8-Y12 PolarHBondContact O-N 2.93Å; F9-Y12 PolarHBondContact O-N 2.83Å; Y12-F15 PolarHBondContact O-N 3.26Å; Y12-F16 VanDerWaalsContact O-CB 3.28Å; Y12-F16 WeakPolarHBondContact O-CB 3.3Å; Y12-F16 PolarHBondContact O-N 2.75Å
13V91.3Very high85.9Confident25 Ų2568.2 Ų68.215%0.15235%0.35CS..Hα-helixtrans-62.9-49.3175.3170.60000110.7F9 F15 F16 F17 F225F9-V13 HydrophobicContact CD1-CG2 4.12Å; F9-V13 HydrophobicContact CD2-CG2 4.13Å; F9-V13 HydrophobicContact CE1-CG2 3.77Å; F9-V13 HydrophobicContact CE2-CG2 3.78Å; F9-V13 HydrophobicContact CG-CG2 4.29Å; F9-V13 HydrophobicContact CZ-CG2 3.6Å; F9-V13 WeakPolarHBondContact O-CB 3.33Å; F9-V13 VanDerWaalsContact O-CG2 3.25Å; F9-V13 WeakPolarHBondContact O-CG2 3.41Å; F9-V13 PolarHBondContact O-N 2.84Å; V13-F15 VanDerWaalsContact C-N 3.34Å; V13-F15 PolarHBondContact O-N 3.22Å; V13-F16 PolarHBondContact O-N 3.25Å; V13-F17 HydrophobicContact CG1-CD2 3.6Å; V13-F17 HydrophobicContact CG1-CE2 3.62Å; V13-F17 VanDerWaalsContact O-CD2 3.27Å; V13-F17 WeakPolarHBondContact O-CD2 3.38Å; V13-F17 PolarHBondContact O-N 3.04Å; V13-F225 HydrophobicContact CG1-CD2 4.31Å; V13-F225 HydrophobicContact CG1-CE2 3.92Å
14L91.4Very high87.9Confident5 Ų570.6 Ų70.63%0.02637%0.366CS..Hα-helixtrans-62.8-41.7179-164149.9000111.1V10 K11 N18 G71 A75 F86 F225 A226V10-L14 VanDerWaalsContact O-CB 3.28Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 PolarHBondContact O-N 3.01Å; K11-L14 PolarHBondContact O-N 3.27Å; L14-N18 VanDerWaalsContact CD2-ND2 3.26Å; L14-N18 WeakPolarHBondContact CD2-ND2 3.3Å; L14-N18 VanDerWaalsContact O-CB 3.3Å; L14-N18 WeakPolarHBondContact O-CB 3.43Å; L14-N18 PolarHBondContact O-N 2.97Å; L14-N18 VanDerWaalsContact O-N 3.09Å; L14-N18 PolarHBondContact O-ND2 3.42Å; L14-G71 WeakPolarHBondContact CD2-O 2.97Å; L14-A75 HydrophobicContact CD2-CB 3.76Å; L14-F86 HydrophobicContact CD1-CE1 4.33Å; L14-F86 HydrophobicContact CD2-CE1 4.4Å; L14-F225 HydrophobicContact CD1-CB 3.75Å; L14-A226 HydrophobicContact CD1-CB 4.28Å
15F93.4Very high89.4Confident53 Ų5362.7 Ų62.723%0.23233%0.329CS..Hα-helixtrans-60.5-49.9174.6176.4-94.7000112K11 Y12 V13 N18 F19 C72 A75 W76K11-F15 WeakPolarHBondContact O-CB 3.42Å; K11-F15 PolarHBondContact O-N 3.49Å; Y12-F15 PolarHBondContact O-N 3.26Å; V13-F15 VanDerWaalsContact C-N 3.34Å; V13-F15 PolarHBondContact O-N 3.22Å; F15-N18 PolarHBondContact O-N 3.3Å; F15-F19 VanDerWaalsContact O-CB 3.28Å; F15-F19 WeakPolarHBondContact O-CB 3.4Å; F15-F19 PolarHBondContact O-N 3.09Å; F15-C72 WeakPolarHBondContact CD2-SG 2.91Å; F15-C72 WeakPolarHBondContact CE2-SG 3.42Å; F15-A75 HydrophobicContact CB-CB 4.19Å; F15-W76 HydrophobicContact CD2-CB 4.11Å; F15-W76 AromaticContact CD2-CE3 3.99Å; F15-W76 HydrophobicContact CD2-CE3 3.99Å; F15-W76 HydrophobicContact CE1-CE3 4.48Å; F15-W76 HydrophobicContact CE2-CB 4.12Å; F15-W76 HydrophobicContact CE2-CD2 4.24Å; F15-W76 AromaticContact CE2-CE3 3.68Å; F15-W76 HydrophobicContact CE2-CE3 3.68Å; F15-W76 HydrophobicContact CE2-CG 4.45Å; F15-W76 HydrophobicContact CE2-CZ3 4.47Å; F15-W76 HydrophobicContact CG-CE3 4.5Å; F15-W76 AromaticContact CZ-CE3 3.96Å; F15-W76 HydrophobicContact CZ-CE3 3.96Å; F15-W76 HydrophobicContact CZ-CZ3 4.32Å
16F93.7Very high91Very high120 Ų12064.2 Ų64.253%0.52632%0.324SS..Hα-helixtrans-62.1-48.9-176.8179.3-103.4000112.4Y12 V13 N18 F19 I20Y12-F16 VanDerWaalsContact O-CB 3.28Å; Y12-F16 WeakPolarHBondContact O-CB 3.3Å; Y12-F16 PolarHBondContact O-N 2.75Å; V13-F16 PolarHBondContact O-N 3.25Å; F16-N18 PolarHBondContact O-N 2.02Å; F16-F19 PolarHBondContact O-N 3.28Å; F16-I20 HydrophobicContact CD1-CD1 3.95Å; F16-I20 HydrophobicContact CE1-CD1 3.41Å; F16-I20 VanDerWaalsContact CE1-CD1 3.41Å; F16-I20 HydrophobicContact CE2-CD1 4.11Å; F16-I20 HydrophobicContact CZ-CD1 3.51Å; F16-I20 HydrophobicContact CZ-CG1 4.49Å; F16-I20 WeakPolarHBondContact O-CG1 3.4Å; F16-I20 PolarHBondContact O-N 3.44Å
17F92.6Very high92.3Very high107 Ų10764 Ų6447%0.46932%0.317SS..Hα-helixtrans-65.1-39.9178.7-79.3-64.5000112.7V13 I20 S21V13-F17 HydrophobicContact CG1-CD2 3.6Å; V13-F17 HydrophobicContact CG1-CE2 3.62Å; V13-F17 VanDerWaalsContact O-CD2 3.27Å; V13-F17 WeakPolarHBondContact O-CD2 3.38Å; V13-F17 PolarHBondContact O-N 3.04Å; F17-I20 PolarHBondContact O-N 2.97Å; F17-S21 WeakPolarHBondContact O-CB 3.05Å; F17-S21 PolarHBondContact O-N 3.11Å; F17-S21 PolarHBondContact O-OG 3.5Å
18N94.6Very high93.2Very high13 Ų1363.8 Ų63.87%0.0732%0.317CS..Hα-helixtrans-68.7-35.5175.4-80.6-79000111.8L14 F15 F16 S21 L22 A68 C72 F86L14-N18 VanDerWaalsContact CD2-ND2 3.26Å; L14-N18 WeakPolarHBondContact CD2-ND2 3.3Å; L14-N18 VanDerWaalsContact O-CB 3.3Å; L14-N18 WeakPolarHBondContact O-CB 3.43Å; L14-N18 PolarHBondContact O-N 2.97Å; L14-N18 VanDerWaalsContact O-N 3.09Å; L14-N18 PolarHBondContact O-ND2 3.42Å; F15-N18 PolarHBondContact O-N 3.3Å; F16-N18 PolarHBondContact O-N 2.02Å; N18-S21 PolarHBondContact O-N 3.42Å; N18-L22 WeakPolarHBondContact O-CB 3.38Å; N18-L22 PolarHBondContact O-N 2.57Å; N18-A68 WeakPolarHBondContact O-CB 3.45Å; N18-C72 HydrophobicContact CB-CB 4.08Å; N18-F86 WeakPolarHBondContact OD1-CE2 3.46Å
19F95.3Very high93.9Very high92 Ų9260.4 Ų60.440%0.40430%0.303SS..Hα-helixtrans-63.9-43.9176-174.5-103.2000111.8F15 F16 S21 L22 L23F15-F19 VanDerWaalsContact O-CB 3.28Å; F15-F19 WeakPolarHBondContact O-CB 3.4Å; F15-F19 PolarHBondContact O-N 3.09Å; F16-F19 PolarHBondContact O-N 3.28Å; F19-S21 VanDerWaalsContact C-N 3.35Å; F19-S21 PolarHBondContact O-N 3.31Å; F19-L22 WeakPolarHBondContact O-CB 3.32Å; F19-L22 PolarHBondContact O-N 2.83Å; F19-L23 HydrophobicContact CD1-CD1 4.25Å; F19-L23 HydrophobicContact CE1-CD1 3.78Å; F19-L23 HydrophobicContact CE1-CG 4.32Å; F19-L23 HydrophobicContact CZ-CD1 4.3Å; F19-L23 HydrophobicContact CZ-CD2 4.47Å; F19-L23 WeakPolarHBondContact O-CG 3.25Å; F19-L23 PolarHBondContact O-N 3.11Å; F19-L23 VanDerWaalsContact O-N 3.11Å
20I95.7Very high94.5Very high70 Ų7057.5 Ų57.536%0.35930%0.297SS..Hα-helixtrans-60.3-47.1172.7-67.6170.8000110.5F16 F17 L22 L23 C24F16-I20 HydrophobicContact CD1-CD1 3.95Å; F16-I20 HydrophobicContact CE1-CD1 3.41Å; F16-I20 VanDerWaalsContact CE1-CD1 3.41Å; F16-I20 HydrophobicContact CE2-CD1 4.11Å; F16-I20 HydrophobicContact CZ-CD1 3.51Å; F16-I20 HydrophobicContact CZ-CG1 4.49Å; F16-I20 WeakPolarHBondContact O-CG1 3.4Å; F16-I20 PolarHBondContact O-N 3.44Å; F17-I20 PolarHBondContact O-N 2.97Å; I20-L22 PolarHBondContact O-N 3.01Å; I20-L23 PolarHBondContact O-N 2.92Å; I20-L23 VanDerWaalsContact O-N 3.11Å; I20-C24 PolarHBondContact O-N 3.11Å; I20-C24 PolarHBondContact O-SG 3.29Å; I20-C24 VanDerWaalsContact O-SG 3.37Å
21S94.7Very high94.9Very high48 Ų4860.4 Ų60.434%0.33631%0.314SS..Hα-helixtrans-61.1-34.5179.7-570000112.2F17 N18 F19 C24 G25F17-S21 WeakPolarHBondContact O-CB 3.05Å; F17-S21 PolarHBondContact O-N 3.11Å; F17-S21 PolarHBondContact O-OG 3.5Å; N18-S21 PolarHBondContact O-N 3.42Å; F19-S21 VanDerWaalsContact C-N 3.35Å; F19-S21 PolarHBondContact O-N 3.31Å; S21-C24 PolarHBondContact O-N 3.14Å; S21-G25 PolarHBondContact O-N 3.09Å
22L97.1Very high95.2Very high26 Ų2658.9 Ų58.914%0.13631%0.308CS..Hα-helixtrans-65.5-43.7175-177.6140.8000111.6N18 F19 I20 G25 L26 F65 A68 F69N18-L22 WeakPolarHBondContact O-CB 3.38Å; N18-L22 PolarHBondContact O-N 2.57Å; F19-L22 WeakPolarHBondContact O-CB 3.32Å; F19-L22 PolarHBondContact O-N 2.83Å; I20-L22 PolarHBondContact O-N 3.01Å; L22-G25 PolarHBondContact O-N 2.99Å; L22-L26 PolarHBondContact O-N 2.03Å; L22-F65 HydrophobicContact CD1-CD2 4.38Å; L22-F65 HydrophobicContact CD1-CE2 4.14Å; L22-F65 HydrophobicContact CD2-CD2 4.4Å; L22-F65 HydrophobicContact CD2-CE2 4.05Å; L22-F65 HydrophobicContact CG-CD2 3.86Å; L22-F65 HydrophobicContact CG-CE2 3.86Å; L22-A68 HydrophobicContact CB-CB 3.79Å; L22-F69 HydrophobicContact CD1-CB 3.92Å; L22-F69 HydrophobicContact CD1-CD2 4.31Å
23L97.4Very high95.3Very high87 Ų8756.3 Ų56.346%0.45530%0.302SS..Hα-helixtrans-64.7-41174.6-63.9-179.9000111.7F19 I20 L26 A27F19-L23 HydrophobicContact CD1-CD1 4.25Å; F19-L23 HydrophobicContact CE1-CD1 3.78Å; F19-L23 HydrophobicContact CE1-CG 4.32Å; F19-L23 HydrophobicContact CZ-CD1 4.3Å; F19-L23 HydrophobicContact CZ-CD2 4.47Å; F19-L23 WeakPolarHBondContact O-CG 3.25Å; F19-L23 PolarHBondContact O-N 3.11Å; F19-L23 VanDerWaalsContact O-N 3.11Å; I20-L23 PolarHBondContact O-N 2.92Å; I20-L23 VanDerWaalsContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 3.25Å; L23-A27 WeakPolarHBondContact O-CB 3Å; L23-A27 PolarHBondContact O-N 3.38Å
24C96.2Very high95.4Very high67 Ų6759.2 Ų59.245%0.45332%0.32SS..Hα-helixtrans-61.1-44.6173.8-68.10000111.7I20 S21 L26 A27 L28I20-C24 PolarHBondContact O-N 3.11Å; I20-C24 PolarHBondContact O-SG 3.29Å; I20-C24 VanDerWaalsContact O-SG 3.37Å; S21-C24 PolarHBondContact O-N 3.14Å; C24-L26 VanDerWaalsContact C-N 3.34Å; C24-L26 PolarHBondContact O-N 2.98Å; C24-A27 PolarHBondContact O-N 3.16Å; C24-L28 WeakPolarHBondContact O-CG 3.02Å; C24-L28 PolarHBondContact O-N 3.19Å
25G97.3Very high95.3Very high0 Ų061.7 Ų61.70%034%0.335CS..Hα-helixtrans-58.1-45.2175.400000112.2S21 L22 L28 I29S21-G25 PolarHBondContact O-N 3.09Å; L22-G25 PolarHBondContact O-N 2.99Å; G25-L28 PolarHBondContact O-N 2.97Å; G25-I29 WeakPolarHBondContact O-CD1 3.28Å; G25-I29 VanDerWaalsContact O-CG1 3.29Å; G25-I29 WeakPolarHBondContact O-CG1 3.45Å; G25-I29 PolarHBondContact O-N 3.25Å; G25-I29 VanDerWaalsContact O-N 3.09Å
26L97.6Very high95Very high86 Ų8661 Ų6145%0.4533%0.333SS..Hα-helixtrans-62.1-44175.4-174.965.4000112.1L22 L23 C24 L28 I29 V30L22-L26 PolarHBondContact O-N 2.03Å; L23-L26 PolarHBondContact O-N 3.25Å; C24-L26 VanDerWaalsContact C-N 3.34Å; C24-L26 PolarHBondContact O-N 2.98Å; L26-L28 PolarHBondContact O-N 2.85Å; L26-I29 PolarHBondContact O-N 3.2Å; L26-V30 WeakPolarHBondContact O-CG2 3.3Å; L26-V30 PolarHBondContact O-N 3.28Å
27A97.7Very high94.6Very high53 Ų5358.6 Ų58.644%0.43833%0.328SS..Hα-helixtrans-61.5-42.6177.400000112L23 C24 I29 V30 V31L23-A27 WeakPolarHBondContact O-CB 3Å; L23-A27 PolarHBondContact O-N 3.38Å; C24-A27 PolarHBondContact O-N 3.16Å; A27-I29 VanDerWaalsContact C-N 3.33Å; A27-I29 PolarHBondContact O-N 3.08Å; A27-V30 PolarHBondContact O-N 3.23Å; A27-V31 WeakPolarHBondContact O-CB 3.32Å; A27-V31 WeakPolarHBondContact O-CG2 3.37Å; A27-V31 PolarHBondContact O-N 3.36Å
28L97.1Very high94.1Very high62 Ų6256.6 Ų56.633%0.32533%0.327SS..Hα-helixtrans-61.3-40.9176.1-71.8175.5000112.1C24 G25 L26 G32 V60C24-L28 WeakPolarHBondContact O-CG 3.02Å; C24-L28 PolarHBondContact O-N 3.19Å; G25-L28 PolarHBondContact O-N 2.97Å; L26-L28 PolarHBondContact O-N 2.85Å; L28-G32 PolarHBondContact O-N 3.39Å; L28-V60 HydrophobicContact CD1-CG1 4.5Å
29I97.4Very high93.1Very high23 Ų2357 Ų5712%0.11833%0.33CS..Hα-helixtrans-62.1-49.1175.7-65.3161.5000110.3G25 L26 A27 G32 I33 L62 F65G25-I29 WeakPolarHBondContact O-CD1 3.28Å; G25-I29 VanDerWaalsContact O-CG1 3.29Å; G25-I29 WeakPolarHBondContact O-CG1 3.45Å; G25-I29 PolarHBondContact O-N 3.25Å; G25-I29 VanDerWaalsContact O-N 3.09Å; L26-I29 PolarHBondContact O-N 3.2Å; A27-I29 VanDerWaalsContact C-N 3.33Å; A27-I29 PolarHBondContact O-N 3.08Å; I29-G32 PolarHBondContact O-N 2.92Å; I29-I33 HydrophobicContact CG2-CD1 3.77Å; I29-I33 HydrophobicContact CG2-CG1 4.47Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.48Å; I29-L62 HydrophobicContact CD1-CD2 3.68Å; I29-L62 HydrophobicContact CD1-CG 4.03Å; I29-L62 HydrophobicContact CG1-CD2 4.3Å; I29-L62 HydrophobicContact CG1-CG 4.18Å; I29-F65 HydrophobicContact CD1-CB 4.31Å
30V97.1Very high92.1Very high81 Ų8158.4 Ų58.449%0.49134%0.338SS..Hα-helixtrans-61-48.8-179.6172.30000110.9L26 A27 G32 I33 V34L26-V30 WeakPolarHBondContact O-CG2 3.3Å; L26-V30 PolarHBondContact O-N 3.28Å; A27-V30 PolarHBondContact O-N 3.23Å; V30-G32 VanDerWaalsContact C-N 3.35Å; V30-G32 PolarHBondContact O-N 3.45Å; V30-I33 PolarHBondContact O-N 3.09Å; V30-V34 HydrophobicContact CG1-CG2 4.44Å; V30-V34 VanDerWaalsContact O-CG2 3.31Å; V30-V34 WeakPolarHBondContact O-CG2 3.29Å; V30-V34 PolarHBondContact O-N 3.09Å
31V95.9Very high90.8Very high77 Ų7762.4 Ų62.447%0.46735%0.352SS..Hα-helixtrans-60.6-45.9177.4171.40000110.6A27 I33 V34 V35A27-V31 WeakPolarHBondContact O-CB 3.32Å; A27-V31 WeakPolarHBondContact O-CG2 3.37Å; A27-V31 PolarHBondContact O-N 3.36Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 3.27Å; V31-V34 PolarHBondContact O-N 2.81Å; V31-V35 HydrophobicContact CG1-CG2 4.18Å; V31-V35 VanDerWaalsContact O-CG2 3.28Å; V31-V35 WeakPolarHBondContact O-CG2 3.41Å; V31-V35 PolarHBondContact O-N 2.96Å
32G94.6Very high89.3Confident0 Ų063.5 Ų63.50%036%0.36CS..Hα-helixtrans-58.4-44178.100000112.6L28 I29 V30 Q36L28-G32 PolarHBondContact O-N 3.39Å; I29-G32 PolarHBondContact O-N 2.92Å; V30-G32 VanDerWaalsContact C-N 3.35Å; V30-G32 PolarHBondContact O-N 3.45Å; G32-Q36 VanDerWaalsContact O-CB 3.23Å; G32-Q36 WeakPolarHBondContact O-CB 3.3Å; G32-Q36 PolarHBondContact O-N 3.13Å
33I93.6Very high87.3Confident87 Ų8764.8 Ų64.845%0.44637%0.365SS..Hα-helixtrans-65-46.5176.2-68.1168.2000111.1I29 V30 V31 V35 Q36 V37 I58I29-I33 HydrophobicContact CG2-CD1 3.77Å; I29-I33 HydrophobicContact CG2-CG1 4.47Å; I29-I33 VanDerWaalsContact O-CG1 3.3Å; I29-I33 WeakPolarHBondContact O-CG1 3.47Å; I29-I33 PolarHBondContact O-N 3.48Å; V30-I33 PolarHBondContact O-N 3.09Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 3.27Å; I33-V35 PolarHBondContact O-N 2.83Å; I33-Q36 PolarHBondContact O-N 2.03Å; I33-V37 HydrophobicContact CG2-CG2 4.44Å; I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 2.69Å; I33-I58 HydrophobicContact CG1-CD1 3.91Å; I33-I58 HydrophobicContact CG1-CG1 4.25Å
34V93.2Very high84.9Confident86 Ų8667.7 Ų67.752%0.52138%0.376SS..Hα-helixtrans-59.6-48.3179.7168.90000110.5V30 V31 Q36 V37 S38V30-V34 HydrophobicContact CG1-CG2 4.44Å; V30-V34 VanDerWaalsContact O-CG2 3.31Å; V30-V34 WeakPolarHBondContact O-CG2 3.29Å; V30-V34 PolarHBondContact O-N 3.09Å; V31-V34 PolarHBondContact O-N 2.81Å; V34-Q36 PolarHBondContact O-N 3.28Å; V34-V37 PolarHBondContact O-N 3.16Å; V34-S38 PolarHBondContact O-N 2.9Å; V34-S38 PolarHBondContact O-OG 2.85Å
35V88.9Confident82.5Confident57 Ų5771.7 Ų71.735%0.34539%0.391SS..Hα-helixtrans-64.5-42.2178.4179.60000110.6V31 I33 V37 S38 V39 P54V31-V35 HydrophobicContact CG1-CG2 4.18Å; V31-V35 VanDerWaalsContact O-CG2 3.28Å; V31-V35 WeakPolarHBondContact O-CG2 3.41Å; V31-V35 PolarHBondContact O-N 2.96Å; I33-V35 PolarHBondContact O-N 2.83Å; V35-V37 VanDerWaalsContact C-N 3.31Å; V35-V37 PolarHBondContact O-N 3.18Å; V35-S38 PolarHBondContact O-N 3.28Å; V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 WeakPolarHBondContact O-CB 3.18Å; V35-V39 VanDerWaalsContact O-CG2 3.32Å; V35-V39 WeakPolarHBondContact O-CG2 2.94Å; V35-V39 PolarHBondContact O-N 3.08Å; V35-P54 HydrophobicContact CB-CB 4.3Å; V35-P54 HydrophobicContact CB-CG 4.29Å; V35-P54 HydrophobicContact CG1-CB 4.17Å; V35-P54 HydrophobicContact CG1-CG 3.63Å
36Q87.2Confident80.2Confident39 Ų3977.8 Ų77.818%0.18243%0.429CS..Hα-helixtrans-60-41177.4-176.162.220.800111.9G32 I33 V34 V39 H40 S51 P54G32-Q36 VanDerWaalsContact O-CB 3.23Å; G32-Q36 WeakPolarHBondContact O-CB 3.3Å; G32-Q36 PolarHBondContact O-N 3.13Å; I33-Q36 PolarHBondContact O-N 2.03Å; V34-Q36 PolarHBondContact O-N 3.28Å; Q36-V39 PolarHBondContact O-N 2.88Å; Q36-H40 WeakPolarHBondContact O-CB 3.43Å; Q36-H40 PolarHBondContact O-N 3.45Å; Q36-S51 PolarHBondContact NE2-OG 3.36Å; Q36-P54 HydrophobicContact CB-CB 3.91Å
37V85.9Confident78Confident69 Ų6977.9 Ų77.942%0.41843%0.429SS..Hα-helixtrans-68.4-40.9176.8171.50000111.2I33 V34 V35 H40 K41I33-V37 HydrophobicContact CG2-CG2 4.44Å; I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 2.69Å; V34-V37 PolarHBondContact O-N 3.16Å; V35-V37 VanDerWaalsContact C-N 3.31Å; V35-V37 PolarHBondContact O-N 3.18Å; V37-H40 PolarHBondContact O-N 2.87Å; V37-K41 HydrophobicContact CG1-CD 4.12Å; V37-K41 HydrophobicContact CG1-CG 4.44Å; V37-K41 WeakPolarHBondContact O-CB 3.39Å; V37-K41 WeakPolarHBondContact O-CG 3.49Å; V37-K41 PolarHBondContact O-N 3.45Å
38S81.4Confident76Confident65 Ų6579.1 Ų79.146%0.45544%0.44SS..Hα-helixtrans-61.9-44.6174.8-690000111.6V34 V35 K41 S42V34-S38 PolarHBondContact O-N 2.9Å; V34-S38 PolarHBondContact O-OG 2.85Å; V35-S38 PolarHBondContact O-N 3.28Å; S38-K41 PolarHBondContact O-N 3.06Å; S38-S42 WeakPolarHBondContact O-CB 3.39Å; S38-S42 PolarHBondContact O-N 3.44Å; S38-S42 PolarHBondContact O-OG 3.07Å
39V74.6Confident74.2Confident23 Ų2380.5 Ų80.514%0.13945%0.454CS..Hα-helixtrans-60.7-48.6173.5171.80000109.6V35 Q36 K41 S42 F43 A50 P54V35-V39 HydrophobicContact CG1-CG2 4.24Å; V35-V39 WeakPolarHBondContact O-CB 3.18Å; V35-V39 VanDerWaalsContact O-CG2 3.32Å; V35-V39 WeakPolarHBondContact O-CG2 2.94Å; V35-V39 PolarHBondContact O-N 3.08Å; Q36-V39 PolarHBondContact O-N 2.88Å; V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 2.86Å; V39-S42 PolarHBondContact O-N 2.92Å; V39-F43 HydrophobicContact CB-CD2 4.28Å; V39-F43 HydrophobicContact CG1-CD2 3.75Å; V39-F43 HydrophobicContact CG1-CE2 4.12Å; V39-F43 HydrophobicContact CG1-CG 4.21Å; V39-F43 HydrophobicContact CG2-CE2 4.5Å; V39-F43 WeakPolarHBondContact O-CB 3.19Å; V39-F43 WeakPolarHBondContact O-CD2 3.37Å; V39-F43 PolarHBondContact O-N 2.98Å; V39-A50 HydrophobicContact CG1-CB 4.1Å; V39-P54 HydrophobicContact CG2-CG 4.44Å
40H72.5Confident72.6Confident120 Ų12081 Ų8156%0.55646%0.462SS*.Hα-helixtrans-64.1-34.1-178.8-166.566.4000114.1Q36 V37Q36-H40 WeakPolarHBondContact O-CB 3.43Å; Q36-H40 PolarHBondContact O-N 3.45Å; V37-H40 PolarHBondContact O-N 2.87Å
41K69.7Low71.5Confident154 Ų15478.3 Ų78.367%0.6745%0.447SS*.Hα-helixtrans-74.7-36.1177.2-74.7-178.5179.3-177.70113V37 S38 V39V37-K41 HydrophobicContact CG1-CD 4.12Å; V37-K41 HydrophobicContact CG1-CG 4.44Å; V37-K41 WeakPolarHBondContact O-CB 3.39Å; V37-K41 WeakPolarHBondContact O-CG 3.49Å; V37-K41 PolarHBondContact O-N 3.45Å; S38-K41 PolarHBondContact O-N 3.06Å; V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 2.86Å
42S62.4Low70.8Confident72 Ų7277.5 Ų77.550%0.50345%0.448SS..Hα-helixtrans-79.6-29.7177.6-67.40000112.7S38 V39S38-S42 WeakPolarHBondContact O-CB 3.39Å; S38-S42 PolarHBondContact O-N 3.44Å; S38-S42 PolarHBondContact O-OG 3.07Å; V39-S42 PolarHBondContact O-N 2.92Å
43F55.8Low70.4Confident52 Ų5279.5 Ų79.523%0.22847%0.469CS..  trans-106.364.7-173.8-65.9-108000111.7V39 I45 A50 E132V39-F43 HydrophobicContact CB-CD2 4.28Å; V39-F43 HydrophobicContact CG1-CD2 3.75Å; V39-F43 HydrophobicContact CG1-CE2 4.12Å; V39-F43 HydrophobicContact CG1-CG 4.21Å; V39-F43 HydrophobicContact CG2-CE2 4.5Å; V39-F43 WeakPolarHBondContact O-CB 3.19Å; V39-F43 WeakPolarHBondContact O-CD2 3.37Å; V39-F43 PolarHBondContact O-N 2.98Å; F43-I45 PolarHBondContact O-N 2.65Å; F43-A50 HydrophobicContact CD1-CB 4.34Å; F43-A50 HydrophobicContact CE1-CB 4.33Å; F43-E132 VanDerWaalsContact CA-CD 3.41Å; F43-E132 WeakPolarHBondContact CA-OE1 3.36Å; F43-E132 HydrophobicContact CB-CG 4.2Å; F43-E132 HydrophobicContact CD1-CB 3.62Å; F43-E132 VanDerWaalsContact CD1-CD 3.46Å; F43-E132 HydrophobicContact CD1-CG 3.59Å; F43-E132 VanDerWaalsContact CD1-OE2 3.24Å; F43-E132 WeakPolarHBondContact CD1-OE2 3.1Å; F43-E132 HydrophobicContact CE1-CB 3.78Å; F43-E132 HydrophobicContact CE1-CG 4.2Å; F43-E132 HydrophobicContact CG-CG 4.04Å
44Q47.2Very low70.3Confident149 Ų14975.9 Ų75.970%0.69645%0.451SS*.SBendtrans-61.385.5172.4-69.9-82.6-64.100110E132Q44-E132 PolarHBondContact N-OE1 3.04Å; Q44-E132 VanDerWaalsContact N-OE1 3.1Å
45I45.8Very low70.2Confident150 Ų15075.7 Ų75.777%0.76945%0.447SS*.SBendtrans13092.8166.6-66.3158.8000110.4F43 D47F43-I45 PolarHBondContact O-N 2.65Å; I45-D47 PolarHBondContact O-N 2.9Å
46V48.2Very low70.3Confident129 Ų12978.2 Ų78.278%0.78246%0.457SS*.  trans-7.795.1167.1-169.90000116.4
47D52.1Low70.6Confident87 Ų8779.4 Ų79.447%0.46547%0.465SS..  trans-99.2111.8149.3-146.8-36.9000108.3I45 S49 A50I45-D47 PolarHBondContact O-N 2.9Å; D47-S49 PolarHBondContact O-N 3.1Å; D47-S49 PolarHBondContact OD1-OG 3.42Å; D47-A50 PolarHBondContact O-N 2.57Å; D47-A50 VanDerWaalsContact O-N 3.1Å
48A55.5Low71.1Confident80 Ų8077.8 Ų77.866%0.66145%0.453SS*.Hα-helixtrans-57.6-25.5-177.400000112
49S59.1Low71.7Confident90 Ų9078.2 Ų78.263%0.62945%0.453SS*.Hα-helixtrans-60.7-40.9177.6-360000112.9D47 S51 A52D47-S49 PolarHBondContact O-N 3.1Å; D47-S49 PolarHBondContact OD1-OG 3.42Å; S49-S51 PolarHBondContact O-N 2.78Å; S49-A52 PolarHBondContact O-N 3Å
50A63.7Low72.7Confident34 Ų3480.1 Ų80.128%0.28146%0.464SS..Hα-helixtrans-75.7-25.1-172.800000113.1V39 F43 D47V39-A50 HydrophobicContact CG1-CB 4.1Å; F43-A50 HydrophobicContact CD1-CB 4.34Å; F43-A50 HydrophobicContact CE1-CB 4.33Å; D47-A50 PolarHBondContact O-N 2.57Å; D47-A50 VanDerWaalsContact O-N 3.1Å
51S74.3Confident73.9Confident25 Ų2574.4 Ų74.418%0.17544%0.438CS..Hα-helixtrans-86.6-11.4178.5-64.60000113.6Q36 S49 G53 P54 I55Q36-S51 PolarHBondContact NE2-OG 3.36Å; S49-S51 PolarHBondContact O-N 2.78Å; S51-G53 VanDerWaalsContact C-N 3.34Å; S51-G53 PolarHBondContact O-N 3.17Å; S51-P54 WeakPolarHBondContact O-CD 3.31Å; S51-I55 VanDerWaalsContact O-CB 3.27Å; S51-I55 WeakPolarHBondContact O-CB 3.5Å; S51-I55 WeakPolarHBondContact O-CD1 3.41Å; S51-I55 WeakPolarHBondContact O-CG1 3.12Å; S51-I55 PolarHBondContact O-N 2.85Å; S51-I55 VanDerWaalsContact O-N 3.1Å
52A81.3Confident75.2Confident59 Ų5970.5 Ų70.549%0.48842%0.424SS..Hα-helixtrans-60.5-41.5-175.300000112.7S49 L56S49-A52 PolarHBondContact O-N 3Å; A52-L56 VanDerWaalsContact O-CB 3.24Å; A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 PolarHBondContact O-N 3.03Å
53G86.6Confident76.7Confident43 Ų4372.4 Ų72.444%0.44343%0.428SS..Hα-helixtrans-64.9-57.8-179.800000113.6S51 I55 L56 L57S51-G53 VanDerWaalsContact C-N 3.34Å; S51-G53 PolarHBondContact O-N 3.17Å; G53-I55 VanDerWaalsContact C-N 3.34Å; G53-I55 PolarHBondContact O-N 3.5Å; G53-L56 WeakPolarHBondContact O-CB 3.27Å; G53-L56 PolarHBondContact O-N 3.12Å; G53-L57 PolarHBondContact O-N 2.83Å
54P90.4Very high78.6Confident10 Ų1072.1 Ų72.17%0.06543%0.431CS..Hα-helixtrans-63.6-37.4-179.8-21.131.8000113V35 Q36 V39 S51 L56 L57 I58V35-P54 HydrophobicContact CB-CB 4.3Å; V35-P54 HydrophobicContact CB-CG 4.29Å; V35-P54 HydrophobicContact CG1-CB 4.17Å; V35-P54 HydrophobicContact CG1-CG 3.63Å; Q36-P54 HydrophobicContact CB-CB 3.91Å; V39-P54 HydrophobicContact CG2-CG 4.44Å; S51-P54 WeakPolarHBondContact O-CD 3.31Å; P54-L56 VanDerWaalsContact C-N 3.34Å; P54-L56 PolarHBondContact O-N 3.29Å; P54-L57 WeakPolarHBondContact O-CB 3.34Å; P54-L57 PolarHBondContact O-N 3.34Å; P54-I58 WeakPolarHBondContact O-CG1 3.45Å; P54-I58 PolarHBondContact O-N 3Å
55I90.9Very high81Confident83 Ų8367.8 Ų67.843%0.42641%0.41SS..Hα-helixtrans-60.7-44.6173.8-68.4170.5000110.5S51 G53 L57 I58 V59S51-I55 VanDerWaalsContact O-CB 3.27Å; S51-I55 WeakPolarHBondContact O-CB 3.5Å; S51-I55 WeakPolarHBondContact O-CD1 3.41Å; S51-I55 WeakPolarHBondContact O-CG1 3.12Å; S51-I55 PolarHBondContact O-N 2.85Å; S51-I55 VanDerWaalsContact O-N 3.1Å; G53-I55 VanDerWaalsContact C-N 3.34Å; G53-I55 PolarHBondContact O-N 3.5Å; I55-L57 VanDerWaalsContact C-N 3.32Å; I55-L57 PolarHBondContact O-N 2.8Å; I55-I58 PolarHBondContact O-N 3.21Å; I55-I58 VanDerWaalsContact O-N 3.17Å; I55-V59 HydrophobicContact CG2-CG2 4.36Å; I55-V59 WeakPolarHBondContact O-CG2 3.04Å; I55-V59 PolarHBondContact O-N 2.85Å
56L92.1Very high83.4Confident110 Ų11065.9 Ų65.958%0.57640%0.396SS*.Hα-helixtrans-61-40.3177-175.1144.9000111.8A52 G53 P54 I58 V59 V60A52-L56 VanDerWaalsContact O-CB 3.24Å; A52-L56 WeakPolarHBondContact O-CB 3.43Å; A52-L56 PolarHBondContact O-N 3.03Å; G53-L56 WeakPolarHBondContact O-CB 3.27Å; G53-L56 PolarHBondContact O-N 3.12Å; P54-L56 VanDerWaalsContact C-N 3.34Å; P54-L56 PolarHBondContact O-N 3.29Å; L56-I58 PolarHBondContact O-N 3.45Å; L56-V59 PolarHBondContact O-N 3.22Å; L56-V60 HydrophobicContact CD2-CG2 4.1Å; L56-V60 HydrophobicContact CG-CG2 4.47Å; L56-V60 WeakPolarHBondContact O-CB 3.3Å; L56-V60 VanDerWaalsContact O-CG2 3.31Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 3.25Å
57L93.3Very high85.7Confident64 Ų6460.8 Ų60.834%0.33537%0.365SS..Hα-helixtrans-60.2-42.5173.8-70.7177.3000112.4G53 P54 I55 G61G53-L57 PolarHBondContact O-N 2.83Å; P54-L57 WeakPolarHBondContact O-CB 3.34Å; P54-L57 PolarHBondContact O-N 3.34Å; I55-L57 VanDerWaalsContact C-N 3.32Å; I55-L57 PolarHBondContact O-N 2.8Å; L57-G61 PolarHBondContact O-N 3.45Å
58I95.7Very high87.8Confident35 Ų3556.7 Ų56.718%0.17934%0.344CS..Hα-helixtrans-63.8-47.2177.3-64.2167.1000110.4I33 P54 I55 L56 G61 L62I33-I58 HydrophobicContact CG1-CD1 3.91Å; I33-I58 HydrophobicContact CG1-CG1 4.25Å; P54-I58 WeakPolarHBondContact O-CG1 3.45Å; P54-I58 PolarHBondContact O-N 3Å; I55-I58 PolarHBondContact O-N 3.21Å; I55-I58 VanDerWaalsContact O-N 3.17Å; L56-I58 PolarHBondContact O-N 3.45Å; I58-G61 PolarHBondContact O-N 2.7Å; I58-L62 HydrophobicContact CG2-CD1 4.03Å; I58-L62 HydrophobicContact CG2-CG 4.43Å; I58-L62 WeakPolarHBondContact O-CG 2.99Å; I58-L62 PolarHBondContact O-N 2.78Å
59V95.6Very high89.7Confident74 Ų7457 Ų5745%0.44833%0.33SS..Hα-helixtrans-61.9-47.7-179.3172.70000111.1I55 L56 G61 L62 L63I55-V59 HydrophobicContact CG2-CG2 4.36Å; I55-V59 WeakPolarHBondContact O-CG2 3.04Å; I55-V59 PolarHBondContact O-N 2.85Å; L56-V59 PolarHBondContact O-N 3.22Å; V59-G61 VanDerWaalsContact C-N 3.31Å; V59-G61 PolarHBondContact O-N 2.82Å; V59-L62 PolarHBondContact O-N 2.92Å; V59-L63 HydrophobicContact CG1-CD1 4.23Å; V59-L63 WeakPolarHBondContact O-CG 3.34Å; V59-L63 PolarHBondContact O-N 3.39Å
60V94.6Very high91.4Very high62 Ų6255.4 Ų55.438%0.37631%0.312SS..Hα-helixtrans-61.9-41.2176.4171.80000111L28 L56 L63 T64L28-V60 HydrophobicContact CD1-CG1 4.5Å; L56-V60 HydrophobicContact CD2-CG2 4.1Å; L56-V60 HydrophobicContact CG-CG2 4.47Å; L56-V60 WeakPolarHBondContact O-CB 3.3Å; L56-V60 VanDerWaalsContact O-CG2 3.31Å; L56-V60 WeakPolarHBondContact O-CG2 3.47Å; L56-V60 PolarHBondContact O-N 3.25Å; V60-L63 PolarHBondContact O-N 3.17Å; V60-T64 WeakPolarHBondContact O-CB 3.4Å; V60-T64 PolarHBondContact O-N 3.11Å; V60-T64 PolarHBondContact O-OG1 2.78Å
61G97.1Very high92.8Very high0 Ų053.8 Ų53.80%030%0.299CS..Hα-helixtrans-61.7-44176.500000113L57 I58 V59 T64 F65L57-G61 PolarHBondContact O-N 3.45Å; I58-G61 PolarHBondContact O-N 2.7Å; V59-G61 VanDerWaalsContact C-N 3.31Å; V59-G61 PolarHBondContact O-N 2.82Å; G61-T64 PolarHBondContact O-N 3.46Å; G61-F65 VanDerWaalsContact O-CB 3.31Å; G61-F65 WeakPolarHBondContact O-CB 3.5Å; G61-F65 PolarHBondContact O-N 3.47Å
62L96.9Very high93.7Very high73 Ų7353.3 Ų53.338%0.38230%0.295SS..Hα-helixtrans-62.8-48.4175.8-74.6170.4000112I29 I58 V59 T64 F65 F66I29-L62 HydrophobicContact CD1-CD2 3.68Å; I29-L62 HydrophobicContact CD1-CG 4.03Å; I29-L62 HydrophobicContact CG1-CD2 4.3Å; I29-L62 HydrophobicContact CG1-CG 4.18Å; I58-L62 HydrophobicContact CG2-CD1 4.03Å; I58-L62 HydrophobicContact CG2-CG 4.43Å; I58-L62 WeakPolarHBondContact O-CG 2.99Å; I58-L62 PolarHBondContact O-N 2.78Å; V59-L62 PolarHBondContact O-N 2.92Å; L62-T64 VanDerWaalsContact C-N 3.32Å; L62-T64 PolarHBondContact O-N 3.29Å; L62-F65 PolarHBondContact O-N 3.41Å; L62-F66 HydrophobicContact CD2-CE2 4.3Å; L62-F66 WeakPolarHBondContact O-CD2 3.22Å; L62-F66 PolarHBondContact O-N 3.47Å
63L95.3Very high94.3Very high111 Ų11151.6 Ų51.658%0.58128%0.279SS*.Hα-helixtrans-57.8-47.3176.8-71.7173000111V59 V60 F65 F66 V67V59-L63 HydrophobicContact CG1-CD1 4.23Å; V59-L63 WeakPolarHBondContact O-CG 3.34Å; V59-L63 PolarHBondContact O-N 3.39Å; V60-L63 PolarHBondContact O-N 3.17Å; L63-F65 PolarHBondContact O-N 2.96Å; L63-F66 PolarHBondContact O-N 3.29Å; L63-V67 WeakPolarHBondContact O-CB 3.11Å; L63-V67 VanDerWaalsContact O-CG2 3.27Å; L63-V67 WeakPolarHBondContact O-CG2 3.39Å; L63-V67 PolarHBondContact O-N 3.27Å
64T95.6Very high94.5Very high47 Ų4749.5 Ų49.529%0.28826%0.258SS..Hα-helixtrans-61-45.3178.2-54.50000111.4V60 G61 L62 A68V60-T64 WeakPolarHBondContact O-CB 3.4Å; V60-T64 PolarHBondContact O-N 3.11Å; V60-T64 PolarHBondContact O-OG1 2.78Å; G61-T64 PolarHBondContact O-N 3.46Å; L62-T64 VanDerWaalsContact C-N 3.32Å; L62-T64 PolarHBondContact O-N 3.29Å; T64-A68 WeakPolarHBondContact O-CB 3.22Å; T64-A68 PolarHBondContact O-N 3.47Å
65F97.3Very high94.6Very high57 Ų5749 Ų4925%0.2526%0.255CS..Hα-helixtrans-59.6-49.4178.5175.3-92.5000112.2L22 I29 G61 L62 L63 A68 F69L22-F65 HydrophobicContact CD1-CD2 4.38Å; L22-F65 HydrophobicContact CD1-CE2 4.14Å; L22-F65 HydrophobicContact CD2-CD2 4.4Å; L22-F65 HydrophobicContact CD2-CE2 4.05Å; L22-F65 HydrophobicContact CG-CD2 3.86Å; L22-F65 HydrophobicContact CG-CE2 3.86Å; I29-F65 HydrophobicContact CD1-CB 4.31Å; G61-F65 VanDerWaalsContact O-CB 3.31Å; G61-F65 WeakPolarHBondContact O-CB 3.5Å; G61-F65 PolarHBondContact O-N 3.47Å; L62-F65 PolarHBondContact O-N 3.41Å; L63-F65 PolarHBondContact O-N 2.96Å; F65-A68 PolarHBondContact O-N 3.48Å; F65-F69 VanDerWaalsContact O-CB 3.29Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.47Å
66F95.8Very high94.6Very high111 Ų11152.4 Ų52.449%0.48726%0.262SS..Hα-helixtrans-67.2-44.2-178.5-78.1-65.8000112.4L62 L63 A68 F69 F70L62-F66 HydrophobicContact CD2-CE2 4.3Å; L62-F66 WeakPolarHBondContact O-CD2 3.22Å; L62-F66 PolarHBondContact O-N 3.47Å; L63-F66 PolarHBondContact O-N 3.29Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 2.9Å; F66-F69 WeakPolarHBondContact O-CB 3.38Å; F66-F69 PolarHBondContact O-N 3.2Å; F66-F70 WeakPolarHBondContact O-CD2 3.48Å; F66-F70 PolarHBondContact O-N 2.92Å; F66-F70 VanDerWaalsContact O-N 3.11Å
67V95.9Very high94.4Very high21 Ų2154 Ų5413%0.12727%0.265CS..Hα-helixtrans-59.6-48.7176.3173.40000110L63 F69 F70 G71 F86 F89 L90L63-V67 WeakPolarHBondContact O-CB 3.11Å; L63-V67 VanDerWaalsContact O-CG2 3.27Å; L63-V67 WeakPolarHBondContact O-CG2 3.39Å; L63-V67 PolarHBondContact O-N 3.27Å; V67-F69 VanDerWaalsContact C-N 3.32Å; V67-F69 PolarHBondContact O-N 2.88Å; V67-F70 PolarHBondContact O-N 3.23Å; V67-G71 PolarHBondContact O-N 2.91Å; V67-F86 HydrophobicContact CG1-CD2 3.77Å; V67-F86 HydrophobicContact CG1-CE2 3.89Å; V67-F86 WeakPolarHBondContact O-CD2 2.89Å; V67-F89 HydrophobicContact CG2-CB 3.75Å; V67-F89 HydrophobicContact CG2-CG 4.34Å; V67-L90 HydrophobicContact CG1-CD1 4.47Å
68A96.2Very high94.2Very high2 Ų253.8 Ų53.82%0.01726%0.262CS..Hα-helixtrans-63.9-34.8178.600000113N18 L22 T64 F65 F66 G71 C72N18-A68 WeakPolarHBondContact O-CB 3.45Å; L22-A68 HydrophobicContact CB-CB 3.79Å; T64-A68 WeakPolarHBondContact O-CB 3.22Å; T64-A68 PolarHBondContact O-N 3.47Å; F65-A68 PolarHBondContact O-N 3.48Å; F66-A68 VanDerWaalsContact C-N 3.34Å; F66-A68 PolarHBondContact O-N 2.9Å; A68-G71 PolarHBondContact O-N 3.3Å; A68-C72 WeakPolarHBondContact O-CB 3.34Å; A68-C72 PolarHBondContact O-N 3.37Å
69F95.3Very high94Very high86 Ų8655.2 Ų55.238%0.37727%0.27SS..Hα-helixtrans-62.3-45.8175.1175.5-98.3000111.9L22 F65 F66 V67 C73 M82L22-F69 HydrophobicContact CD1-CB 3.92Å; L22-F69 HydrophobicContact CD1-CD2 4.31Å; F65-F69 VanDerWaalsContact O-CB 3.29Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.47Å; F66-F69 WeakPolarHBondContact O-CB 3.38Å; F66-F69 PolarHBondContact O-N 3.2Å; V67-F69 VanDerWaalsContact C-N 3.32Å; V67-F69 PolarHBondContact O-N 2.88Å; F69-C73 WeakPolarHBondContact CE2-SG 3.27Å; F69-C73 VanDerWaalsContact CZ-SG 3.58Å; F69-C73 VanDerWaalsContact O-CB 3.26Å; F69-C73 WeakPolarHBondContact O-CB 3.42Å; F69-C73 PolarHBondContact O-N 3.04Å; F69-C73 PolarHBondContact O-SG 2.82Å; F69-C73 VanDerWaalsContact O-SG 3.41Å; F69-M82 HydrophobicContact CE1-CE 4.41Å
70F94.7Very high93.7Very high57 Ų5755.3 Ų55.325%0.2527%0.265CS..Hα-helixtrans-64.4-40.5175.2-72-63.5000112.1F66 V67 G74 M82 T85 F86F66-F70 WeakPolarHBondContact O-CD2 3.48Å; F66-F70 PolarHBondContact O-N 2.92Å; F66-F70 VanDerWaalsContact O-N 3.11Å; V67-F70 PolarHBondContact O-N 3.23Å; F70-G74 WeakPolarHBondContact O-CA 3.41Å; F70-G74 PolarHBondContact O-N 3.5Å; F70-M82 HydrophobicContact CD1-CE 4Å; F70-T85 HydrophobicContact CD1-CG2 4.3Å; F70-T85 HydrophobicContact CD2-CG2 4.08Å; F70-T85 HydrophobicContact CE1-CG2 4.43Å; F70-T85 HydrophobicContact CE2-CG2 4.22Å; F70-T85 HydrophobicContact CG-CG2 4.14Å; F70-T85 HydrophobicContact CZ-CG2 4.4Å; F70-F86 HydrophobicContact CB-CB 4.11Å
71G94.3Very high93.6Very high0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-63-48.3176.400000112.5L14 V67 A68 A75L14-G71 WeakPolarHBondContact CD2-O 2.97Å; V67-G71 PolarHBondContact O-N 2.91Å; A68-G71 PolarHBondContact O-N 3.3Å; G71-A75 VanDerWaalsContact O-CB 3.27Å; G71-A75 WeakPolarHBondContact O-CB 3.33Å; G71-A75 PolarHBondContact O-N 3.38Å
72C93.9Very high93.5Very high14 Ų1457.9 Ų57.910%0.09528%0.282CS..Hα-helixtrans-64.8-53.3179.4-177.50000112.2F15 N18 A68 G74 A75 W76F15-C72 WeakPolarHBondContact CD2-SG 2.91Å; F15-C72 WeakPolarHBondContact CE2-SG 3.42Å; N18-C72 HydrophobicContact CB-CB 4.08Å; A68-C72 WeakPolarHBondContact O-CB 3.34Å; A68-C72 PolarHBondContact O-N 3.37Å; C72-G74 PolarHBondContact O-N 3.22Å; C72-A75 PolarHBondContact O-N 3.36Å; C72-W76 WeakPolarHBondContact O-CB 3.41Å; C72-W76 PolarHBondContact O-N 3.15Å
73C92.8Very high93.4Very high23 Ų2354.4 Ų54.416%0.15526%0.263CS..Hα-helixtrans-67.1-37.7179.6-69.40000112.1F69 W76 K77 M82F69-C73 WeakPolarHBondContact CE2-SG 3.27Å; F69-C73 VanDerWaalsContact CZ-SG 3.58Å; F69-C73 VanDerWaalsContact O-CB 3.26Å; F69-C73 WeakPolarHBondContact O-CB 3.42Å; F69-C73 PolarHBondContact O-N 3.04Å; F69-C73 PolarHBondContact O-SG 2.82Å; F69-C73 VanDerWaalsContact O-SG 3.41Å; C73-W76 PolarHBondContact O-N 3.35Å; C73-K77 VanDerWaalsContact O-CB 3.25Å; C73-K77 WeakPolarHBondContact O-CB 3.33Å; C73-K77 WeakPolarHBondContact O-CG 3.35Å; C73-K77 PolarHBondContact O-N 3.43Å; C73-M82 HydrophobicContact CB-CE 3.31Å; C73-M82 HydrophobicContact CB-SD 4.13Å
74G91.6Very high93.3Very high0 Ų050.7 Ų50.70%025%0.249CC..Hα-helixtrans-63.4-43.9176.300000111.9F70 C72 E78 N79 V83F70-G74 WeakPolarHBondContact O-CA 3.41Å; F70-G74 PolarHBondContact O-N 3.5Å; C72-G74 PolarHBondContact O-N 3.22Å; G74-E78 WeakPolarHBondContact O-CA 3.32Å; G74-E78 PolarHBondContact O-N 3.01Å; G74-N79 PolarHBondContact O-N 3.37Å; G74-N79 VanDerWaalsContact O-N 3.17Å; G74-V83 VanDerWaalsContact C-CG2 3.42Å; G74-V83 WeakPolarHBondContact O-CG2 3.27Å
75A91.5Very high93.3Very high0 Ų050.4 Ų50.40%025%0.247CC..Hα-helixtrans-63.7-48.5174.600000112.3K11 L14 F15 G71 C72 E78 L229K11-A75 WeakPolarHBondContact CE-O 3.38Å; L14-A75 HydrophobicContact CD2-CB 3.76Å; F15-A75 HydrophobicContact CB-CB 4.19Å; G71-A75 VanDerWaalsContact O-CB 3.27Å; G71-A75 WeakPolarHBondContact O-CB 3.33Å; G71-A75 PolarHBondContact O-N 3.38Å; C72-A75 PolarHBondContact O-N 3.36Å; A75-E78 PolarHBondContact O-N 2.88Å; A75-L229 HydrophobicContact CB-CD2 4.22Å
76W90.6Very high93.2Very high153 Ų15348 Ų4858%0.5824%0.237SC*.Hα-helixtrans-65-49.2-176.2-174-94.6000112.4K11 F15 C72 C73 E78K11-W76 PolarHBondContact NZ-O 3.17Å; F15-W76 HydrophobicContact CD2-CB 4.11Å; F15-W76 AromaticContact CD2-CE3 3.99Å; F15-W76 HydrophobicContact CD2-CE3 3.99Å; F15-W76 HydrophobicContact CE1-CE3 4.48Å; F15-W76 HydrophobicContact CE2-CB 4.12Å; F15-W76 HydrophobicContact CE2-CD2 4.24Å; F15-W76 AromaticContact CE2-CE3 3.68Å; F15-W76 HydrophobicContact CE2-CE3 3.68Å; F15-W76 HydrophobicContact CE2-CG 4.45Å; F15-W76 HydrophobicContact CE2-CZ3 4.47Å; F15-W76 HydrophobicContact CG-CE3 4.5Å; F15-W76 AromaticContact CZ-CE3 3.96Å; F15-W76 HydrophobicContact CZ-CE3 3.96Å; F15-W76 HydrophobicContact CZ-CZ3 4.32Å; C72-W76 WeakPolarHBondContact O-CB 3.41Å; C72-W76 PolarHBondContact O-N 3.15Å; C73-W76 PolarHBondContact O-N 3.35Å; W76-E78 VanDerWaalsContact C-N 3.28Å; W76-E78 PolarHBondContact O-N 2.86Å
77K89.3Confident93.2Very high145 Ų14543.2 Ų43.263%0.6322%0.217SC*.Hα-helixtrans-82-3.5-177.7-62.4-175.9177.4-178.70113.7C73 N79C73-K77 VanDerWaalsContact O-CB 3.25Å; C73-K77 WeakPolarHBondContact O-CB 3.33Å; C73-K77 WeakPolarHBondContact O-CG 3.35Å; C73-K77 PolarHBondContact O-N 3.43Å; K77-N79 HydrophobicContact CB-CB 4.31Å; K77-N79 PolarHBondContact O-N 3.45Å
78E88.5Confident93.3Very high58 Ų5848 Ų4827%0.27124%0.237SC..THydrogen-bonded Turntrans51.937.4-175-65.2176.6-173.700112K11 G74 A75 W76 I233K11-E78 HydrophobicContact CD-CG 4.45Å; K11-E78 IonicContact NZ-OE1 3.73Å; K11-E78 PolarHBondContact NZ-OE1 2.99Å; G74-E78 WeakPolarHBondContact O-CA 3.32Å; G74-E78 PolarHBondContact O-N 3.01Å; A75-E78 PolarHBondContact O-N 2.88Å; W76-E78 VanDerWaalsContact C-N 3.28Å; W76-E78 PolarHBondContact O-N 2.86Å; E78-I233 HydrophobicContact CB-CD1 4.31Å; E78-I233 HydrophobicContact CB-CG1 4.19Å; E78-I233 WeakPolarHBondContact O-CD1 3.27Å; E78-I233 WeakPolarHBondContact O-CG2 3.21Å
79N90.9Very high93.3Very high65 Ų6552 Ų5235%0.34825%0.254SS..  trans-92.7110.5-175.8-175.3-34.1000110.6G74 K77 C81 M82 V83G74-N79 PolarHBondContact O-N 3.37Å; G74-N79 VanDerWaalsContact O-N 3.17Å; K77-N79 HydrophobicContact CB-CB 4.31Å; K77-N79 PolarHBondContact O-N 3.45Å; N79-C81 VanDerWaalsContact C-N 3.31Å; N79-C81 PolarHBondContact O-N 3.01Å; N79-C81 WeakPolarHBondContact OD1-CB 3.34Å; N79-C81 PolarHBondContact OD1-N 3.3Å; N79-M82 HydrophobicContact CB-CB 4.19Å; N79-M82 HydrophobicContact CB-CG 4.01Å; N79-M82 HydrophobicContact CB-SD 4.13Å; N79-M82 PolarHBondContact O-N 2.9Å; N79-M82 PolarHBondContact OD1-N 3.45Å; N79-V83 WeakPolarHBondContact O-CG2 3.16Å; N79-V83 PolarHBondContact O-N 2.91Å; N79-V83 VanDerWaalsContact O-N 3.08Å
80H89.9Confident93.3Very high77 Ų7748.8 Ų48.836%0.35624%0.241SC..Hα-helixtrans-53.5-44.5-179.3-176.6-78.5000113M82 V83 A84 I233H80-M82 PolarHBondContact O-N 3.37Å; H80-V83 PolarHBondContact O-N 3.21Å; H80-A84 VanDerWaalsContact O-CB 3.27Å; H80-A84 WeakPolarHBondContact O-CB 3.4Å; H80-A84 PolarHBondContact O-N 3.01Å; H80-I233 HydrophobicContact CB-CG2 4.12Å
81C92.8Very high93.3Very high84 Ų8448 Ų4857%0.56824%0.242SC*.Hα-helixtrans-63.2-44-178.4-172.60000111.2N79 A84 T85N79-C81 VanDerWaalsContact C-N 3.31Å; N79-C81 PolarHBondContact O-N 3.01Å; N79-C81 WeakPolarHBondContact OD1-CB 3.34Å; N79-C81 PolarHBondContact OD1-N 3.3Å; C81-A84 PolarHBondContact O-N 2.93Å; C81-T85 PolarHBondContact O-N 3.37Å; C81-T85 PolarHBondContact O-OG1 2.87Å
82M94.4Very high93.4Very high31 Ų3151.9 Ų51.915%0.15326%0.262CS..Hα-helixtrans-66.4-41.2179.3-62.2-173.578.700112.6F69 F70 C73 N79 H80 A84 T85 F86F69-M82 HydrophobicContact CE1-CE 4.41Å; F70-M82 HydrophobicContact CD1-CE 4Å; C73-M82 HydrophobicContact CB-CE 3.31Å; C73-M82 HydrophobicContact CB-SD 4.13Å; N79-M82 HydrophobicContact CB-CB 4.19Å; N79-M82 HydrophobicContact CB-CG 4.01Å; N79-M82 HydrophobicContact CB-SD 4.13Å; N79-M82 PolarHBondContact O-N 2.9Å; N79-M82 PolarHBondContact OD1-N 3.45Å; H80-M82 PolarHBondContact O-N 3.37Å; M82-A84 VanDerWaalsContact C-N 3.34Å; M82-T85 PolarHBondContact O-N 3.13Å; M82-F86 PolarHBondContact O-N 3.13Å
83V94.1Very high93.5Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-67.2-36.5176.1-177.50000111G74 N79 H80 F86 S87 A226 L229 M230 I233G74-V83 VanDerWaalsContact C-CG2 3.42Å; G74-V83 WeakPolarHBondContact O-CG2 3.27Å; N79-V83 WeakPolarHBondContact O-CG2 3.16Å; N79-V83 PolarHBondContact O-N 2.91Å; N79-V83 VanDerWaalsContact O-N 3.08Å; H80-V83 PolarHBondContact O-N 3.21Å; V83-F86 WeakPolarHBondContact O-CB 3.4Å; V83-F86 PolarHBondContact O-N 3.36Å; V83-S87 PolarHBondContact O-N 3.01Å; V83-A226 HydrophobicContact CG1-CB 3.78Å; V83-L229 HydrophobicContact CG2-CD2 4.07Å; V83-M230 HydrophobicContact CB-CG 3.92Å; V83-M230 HydrophobicContact CG1-CG 3.6Å; V83-M230 HydrophobicContact CG1-SD 4.27Å; V83-I233 HydrophobicContact CG2-CD1 4.43Å
84A94.5Very high93.6Very high34 Ų3454.1 Ų54.128%0.28128%0.275SS..Hα-helixtrans-64.5-44.5174.100000111.8H80 C81 M82 F86 S87 F88 M230H80-A84 VanDerWaalsContact O-CB 3.27Å; H80-A84 WeakPolarHBondContact O-CB 3.4Å; H80-A84 PolarHBondContact O-N 3.01Å; C81-A84 PolarHBondContact O-N 2.93Å; M82-A84 VanDerWaalsContact C-N 3.34Å; A84-F86 PolarHBondContact O-N 2.72Å; A84-S87 PolarHBondContact O-N 2.74Å; A84-F88 WeakPolarHBondContact O-CB 3.31Å; A84-F88 PolarHBondContact O-N 3.33Å; A84-M230 VanDerWaalsContact CA-SD 3.52Å; A84-M230 HydrophobicContact CB-SD 3.7Å
85T95.6Very high93.8Very high41 Ų4159.3 Ų59.325%0.25230%0.301SS..Hα-helixtrans-59.8-44.9174.5-57.40000111.6F70 C81 M82 F88 F89F70-T85 HydrophobicContact CD1-CG2 4.3Å; F70-T85 HydrophobicContact CD2-CG2 4.08Å; F70-T85 HydrophobicContact CE1-CG2 4.43Å; F70-T85 HydrophobicContact CE2-CG2 4.22Å; F70-T85 HydrophobicContact CG-CG2 4.14Å; F70-T85 HydrophobicContact CZ-CG2 4.4Å; C81-T85 PolarHBondContact O-N 3.37Å; C81-T85 PolarHBondContact O-OG1 2.87Å; M82-T85 PolarHBondContact O-N 3.13Å; T85-F88 PolarHBondContact O-N 2.91Å; T85-F89 HydrophobicContact CG2-CD2 3.66Å; T85-F89 HydrophobicContact CG2-CE2 3.44Å; T85-F89 VanDerWaalsContact CG2-CE2 3.44Å; T85-F89 VanDerWaalsContact O-CD2 3.24Å; T85-F89 WeakPolarHBondContact O-CD2 3.31Å; T85-F89 PolarHBondContact O-N 3.18Å
86F95.6Very high93.9Very high5 Ų562.1 Ų62.12%0.02232%0.324CS..Hα-helixtrans-56.2-51.7173.5165.7-108000111.7L14 N18 V67 F70 M82 V83 A84 F88 F89 L90 A226L14-F86 HydrophobicContact CD1-CE1 4.33Å; L14-F86 HydrophobicContact CD2-CE1 4.4Å; N18-F86 WeakPolarHBondContact OD1-CE2 3.46Å; V67-F86 HydrophobicContact CG1-CD2 3.77Å; V67-F86 HydrophobicContact CG1-CE2 3.89Å; V67-F86 WeakPolarHBondContact O-CD2 2.89Å; F70-F86 HydrophobicContact CB-CB 4.11Å; M82-F86 PolarHBondContact O-N 3.13Å; V83-F86 WeakPolarHBondContact O-CB 3.4Å; V83-F86 PolarHBondContact O-N 3.36Å; A84-F86 PolarHBondContact O-N 2.72Å; F86-F88 VanDerWaalsContact C-N 3.3Å; F86-F88 PolarHBondContact O-N 3.46Å; F86-F89 PolarHBondContact O-N 3.38Å; F86-L90 HydrophobicContact CE1-CD2 4.07Å; F86-L90 HydrophobicContact CE2-CD2 4.14Å; F86-L90 HydrophobicContact CZ-CD2 3.63Å; F86-L90 WeakPolarHBondContact O-CB 3.35Å; F86-L90 PolarHBondContact O-N 3.23Å; F86-A226 HydrophobicContact CD1-CB 3.89Å; F86-A226 HydrophobicContact CE1-CB 4Å
87S95.9Very high94Very high12 Ų1257.5 Ų57.58%0.08431%0.309CS..Hα-helixtrans-62-37.5-180-169.80000112.5V83 A84 S91V83-S87 PolarHBondContact O-N 3.01Å; A84-S87 PolarHBondContact O-N 2.74Å; S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 PolarHBondContact O-OG 3.02Å
88F96.4Very high94.2Very high122 Ų12255.6 Ų55.654%0.53531%0.305SS..Hα-helixtrans-63.6-52.5177.2173.9-103000111.5A84 T85 F86 L90 S91 L92A84-F88 WeakPolarHBondContact O-CB 3.31Å; A84-F88 PolarHBondContact O-N 3.33Å; T85-F88 PolarHBondContact O-N 2.91Å; F86-F88 VanDerWaalsContact C-N 3.3Å; F86-F88 PolarHBondContact O-N 3.46Å; F88-L90 VanDerWaalsContact C-N 3.35Å; F88-L90 PolarHBondContact O-N 3.27Å; F88-S91 WeakPolarHBondContact O-CB 3.45Å; F88-S91 PolarHBondContact O-N 3.16Å; F88-L92 HydrophobicContact CD1-CD1 4.2Å; F88-L92 HydrophobicContact CE1-CD1 3.55Å; F88-L92 HydrophobicContact CE1-CG 4.32Å; F88-L92 HydrophobicContact CE2-CD1 4.46Å; F88-L92 HydrophobicContact CZ-CD1 3.71Å; F88-L92 HydrophobicContact CZ-CD2 4.45Å; F88-L92 HydrophobicContact CZ-CG 4.22Å; F88-L92 PolarHBondContact O-N 3.39Å
89F96.1Very high94.5Very high85 Ų8555 Ų5537%0.37331%0.31SS..Hα-helixtrans-63.8-40.3178.4-76.6-64.6000112.3V67 T85 F86 S91 L92 V93V67-F89 HydrophobicContact CG2-CB 3.75Å; V67-F89 HydrophobicContact CG2-CG 4.34Å; T85-F89 HydrophobicContact CG2-CD2 3.66Å; T85-F89 HydrophobicContact CG2-CE2 3.44Å; T85-F89 VanDerWaalsContact CG2-CE2 3.44Å; T85-F89 VanDerWaalsContact O-CD2 3.24Å; T85-F89 WeakPolarHBondContact O-CD2 3.31Å; T85-F89 PolarHBondContact O-N 3.18Å; F86-F89 PolarHBondContact O-N 3.38Å; F89-S91 VanDerWaalsContact C-N 3.26Å; F89-S91 PolarHBondContact O-N 3.49Å; F89-L92 HydrophobicContact CD1-CD1 4.36Å; F89-L92 WeakPolarHBondContact O-CB 3.36Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.14Å; F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 2.92Å
90L95.3Very high94.6Very high19 Ų1954.7 Ų54.710%0.09932%0.317CS..Hα-helixtrans-61.6-37.1177.1-161.463.5000111.5V67 F86 F88 V93 V94 Q219 I223V67-L90 HydrophobicContact CG1-CD1 4.47Å; F86-L90 HydrophobicContact CE1-CD2 4.07Å; F86-L90 HydrophobicContact CE2-CD2 4.14Å; F86-L90 HydrophobicContact CZ-CD2 3.63Å; F86-L90 WeakPolarHBondContact O-CB 3.35Å; F86-L90 PolarHBondContact O-N 3.23Å; F88-L90 VanDerWaalsContact C-N 3.35Å; F88-L90 PolarHBondContact O-N 3.27Å; L90-V93 PolarHBondContact O-N 3.18Å; L90-V94 WeakPolarHBondContact O-CG2 3.33Å; L90-V94 PolarHBondContact O-N 3.23Å; L90-V94 VanDerWaalsContact O-N 3.1Å; L90-Q219 HydrophobicContact CD1-CB 4.32Å; L90-Q219 HydrophobicContact CD1-CG 3.9Å; L90-Q219 WeakPolarHBondContact CD2-O 3.44Å; L90-Q219 HydrophobicContact CG-CB 4.33Å; L90-Q219 HydrophobicContact CG-CG 4.44Å; L90-I223 HydrophobicContact CB-CG1 4.2Å; L90-I223 HydrophobicContact CD2-CG1 3.81Å; L90-I223 HydrophobicContact CG-CD1 4.48Å; L90-I223 HydrophobicContact CG-CG1 4.05Å
91S96.2Very high94.6Very high40 Ų4056 Ų5628%0.2833%0.33SS..Hα-helixtrans-66.6-39.6174.5-55.70000112.4S87 F88 F89 V93 V94 I95S87-S91 WeakPolarHBondContact O-CB 3.47Å; S87-S91 PolarHBondContact O-N 3.24Å; S87-S91 PolarHBondContact O-OG 3.02Å; F88-S91 WeakPolarHBondContact O-CB 3.45Å; F88-S91 PolarHBondContact O-N 3.16Å; F89-S91 VanDerWaalsContact C-N 3.26Å; F89-S91 PolarHBondContact O-N 3.49Å; S91-V93 VanDerWaalsContact C-N 3.31Å; S91-V93 PolarHBondContact O-N 3.47Å; S91-V94 PolarHBondContact O-N 3.21Å; S91-I95 WeakPolarHBondContact O-CG1 3.46Å; S91-I95 PolarHBondContact O-N 2.88Å; S91-I95 VanDerWaalsContact O-N 3.11Å
92L96Very high94.7Very high82 Ų8255.9 Ų55.943%0.42933%0.326SS..Hα-helixtrans-62.8-38.4174.2-69-179000112F88 F89 I95 A96F88-L92 HydrophobicContact CD1-CD1 4.2Å; F88-L92 HydrophobicContact CE1-CD1 3.55Å; F88-L92 HydrophobicContact CE1-CG 4.32Å; F88-L92 HydrophobicContact CE2-CD1 4.46Å; F88-L92 HydrophobicContact CZ-CD1 3.71Å; F88-L92 HydrophobicContact CZ-CD2 4.45Å; F88-L92 HydrophobicContact CZ-CG 4.22Å; F88-L92 PolarHBondContact O-N 3.39Å; F89-L92 HydrophobicContact CD1-CD1 4.36Å; F89-L92 WeakPolarHBondContact O-CB 3.36Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.14Å; L92-I95 PolarHBondContact O-N 3.25Å; L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.35Å
93V94.6Very high94.7Very high56 Ų5658.9 Ų58.934%0.33934%0.342SS..Hα-helixtrans-63.2-45.6175.5176.10000110.8F89 L90 S91 I95 A96 E97 Q219F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 2.92Å; L90-V93 PolarHBondContact O-N 3.18Å; S91-V93 VanDerWaalsContact C-N 3.31Å; S91-V93 PolarHBondContact O-N 3.47Å; V93-I95 VanDerWaalsContact C-N 3.29Å; V93-I95 PolarHBondContact O-N 2.74Å; V93-A96 CarbonylContact O-C 3.59Å; V93-A96 WeakPolarHBondContact O-CB 3.19Å; V93-A96 PolarHBondContact O-N 3.21Å; V93-A96 VanDerWaalsContact O-N 3.1Å; V93-E97 HydrophobicContact CG1-CG 4.37Å; V93-E97 WeakPolarHBondContact O-CG 3.28Å; V93-E97 PolarHBondContact O-N 2.94Å; V93-Q219 VanDerWaalsContact CG1-NE2 3.32Å
94V95Very high94.5Very high28 Ų2861 Ų6117%0.1736%0.364CS..Hα-helixtrans-56.5-44.1175.8172.20000111.4L90 S91 E97 I98 Q219 I223L90-V94 WeakPolarHBondContact O-CG2 3.33Å; L90-V94 PolarHBondContact O-N 3.23Å; L90-V94 VanDerWaalsContact O-N 3.1Å; S91-V94 PolarHBondContact O-N 3.21Å; V94-E97 PolarHBondContact O-N 3.05Å; V94-I98 HydrophobicContact CG1-CD1 4.05Å; V94-I98 WeakPolarHBondContact O-CG1 3.44Å; V94-I98 PolarHBondContact O-N 3.28Å; V94-Q219 HydrophobicContact CG2-CB 3.84Å; V94-I223 HydrophobicContact CG2-CD1 4.13Å
95I95.8Very high94.2Very high108 Ų10866.6 Ų66.655%0.55438%0.379SS*.Hα-helixtrans-63.6-43.3177.6-65.8166.3000110.7S91 L92 V93 E97 I98 A99S91-I95 WeakPolarHBondContact O-CG1 3.46Å; S91-I95 PolarHBondContact O-N 2.88Å; S91-I95 VanDerWaalsContact O-N 3.11Å; L92-I95 PolarHBondContact O-N 3.25Å; V93-I95 VanDerWaalsContact C-N 3.29Å; V93-I95 PolarHBondContact O-N 2.74Å; I95-E97 VanDerWaalsContact C-N 3.34Å; I95-E97 PolarHBondContact O-N 3.47Å; I95-I98 PolarHBondContact O-N 2.94Å; I95-A99 WeakPolarHBondContact O-CB 3.17Å; I95-A99 PolarHBondContact O-N 3.34Å
96A94.3Very high94.2Very high59 Ų5969 Ų6949%0.48839%0.393SS..Hα-helixtrans-63.7-38.1177.300000112.2L92 V93 A99 A100L92-A96 WeakPolarHBondContact O-CB 3.41Å; L92-A96 PolarHBondContact O-N 3.35Å; V93-A96 CarbonylContact O-C 3.59Å; V93-A96 WeakPolarHBondContact O-CB 3.19Å; V93-A96 PolarHBondContact O-N 3.21Å; V93-A96 VanDerWaalsContact O-N 3.1Å; A96-A99 PolarHBondContact O-N 3.48Å; A96-A100 VanDerWaalsContact O-CB 3.31Å; A96-A100 WeakPolarHBondContact O-CB 3.34Å; A96-A100 PolarHBondContact O-N 3.31Å
97E92.4Very high94.1Very high56 Ų5674.5 Ų74.526%0.26242%0.415SS..Hα-helixtrans-64.9-45.5175.6-75.1-175.1-177.900111.9V93 V94 I95 A99 A100 V101 V215 Q219V93-E97 HydrophobicContact CG1-CG 4.37Å; V93-E97 WeakPolarHBondContact O-CG 3.28Å; V93-E97 PolarHBondContact O-N 2.94Å; V94-E97 PolarHBondContact O-N 3.05Å; I95-E97 VanDerWaalsContact C-N 3.34Å; I95-E97 PolarHBondContact O-N 3.47Å; E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3Å; E97-A100 PolarHBondContact O-N 3.29Å; E97-V101 WeakPolarHBondContact O-CG2 3.39Å; E97-V101 PolarHBondContact O-N 3.48Å; E97-V215 WeakPolarHBondContact OE1-CG1 3.26Å; E97-Q219 PolarHBondContact OE1-NE2 2.88Å; E97-Q219 PolarHBondContact OE2-OE1 3.42Å
98I93.9Very high93.7Very high105 Ų10579.7 Ų79.754%0.53843%0.432SS..Hα-helixtrans-59.5-46.4175.5-66.1166.2000110V94 I95 A100 V101 V102V94-I98 HydrophobicContact CG1-CD1 4.05Å; V94-I98 WeakPolarHBondContact O-CG1 3.44Å; V94-I98 PolarHBondContact O-N 3.28Å; I95-I98 PolarHBondContact O-N 2.94Å; I98-A100 PolarHBondContact O-N 3.49Å; I98-V101 PolarHBondContact O-N 3Å; I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.09Å
99A95.5Very high93.3Very high45 Ų4578.6 Ų78.637%0.37243%0.432SS..Hα-helixtrans-60.6-44176.500000111.7I95 A96 E97 V101 V102 L103I95-A99 WeakPolarHBondContact O-CB 3.17Å; I95-A99 PolarHBondContact O-N 3.34Å; A96-A99 PolarHBondContact O-N 3.48Å; E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3Å; A99-V101 PolarHBondContact O-N 3.45Å; A99-V102 PolarHBondContact O-N 3.25Å; A99-L103 WeakPolarHBondContact O-CB 3.43Å; A99-L103 WeakPolarHBondContact O-CG 3.41Å; A99-L103 PolarHBondContact O-N 3.46Å
100A91.9Very high93Very high60 Ų6080.1 Ų80.150%0.49644%0.438SS..Hα-helixtrans-62.2-41178.200000112.2A96 E97 I98 G104A96-A100 VanDerWaalsContact O-CB 3.31Å; A96-A100 WeakPolarHBondContact O-CB 3.34Å; A96-A100 PolarHBondContact O-N 3.31Å; E97-A100 PolarHBondContact O-N 3.29Å; I98-A100 PolarHBondContact O-N 3.49Å; A100-G104 WeakPolarHBondContact O-CA 3.49Å; A100-G104 PolarHBondContact O-N 2.97Å
101V91.1Very high92.5Very high104 Ų10482.8 Ų82.863%0.6346%0.455SS*.Hα-helixtrans-63.2-45.9175.3171.20000111E97 I98 A99 G104 Y105E97-V101 WeakPolarHBondContact O-CG2 3.39Å; E97-V101 PolarHBondContact O-N 3.48Å; I98-V101 PolarHBondContact O-N 3Å; A99-V101 PolarHBondContact O-N 3.45Å; V101-G104 PolarHBondContact O-N 3.01Å; V101-Y105 WeakPolarHBondContact O-CB 3.23Å; V101-Y105 PolarHBondContact O-N 3.38Å
102V94.2Very high92Very high81 Ų8185.8 Ų85.849%0.49146%0.463SS..Hα-helixtrans-63.2-49.3178.5173.30000110.9I98 A99 G104 Y105 V106I98-V102 WeakPolarHBondContact O-CG2 3.38Å; I98-V102 PolarHBondContact O-N 3.09Å; A99-V102 PolarHBondContact O-N 3.25Å; V102-G104 VanDerWaalsContact C-N 3.33Å; V102-G104 PolarHBondContact O-N 3.41Å; V102-Y105 PolarHBondContact O-N 3.26Å; V102-V106 HydrophobicContact CG1-CG2 4.39Å; V102-V106 VanDerWaalsContact O-CG2 3.3Å; V102-V106 WeakPolarHBondContact O-CG2 3.37Å; V102-V106 PolarHBondContact O-N 2.83Å
103L93.8Very high91.6Very high95 Ų9585.6 Ų85.650%0.49747%0.465SS..Hα-helixtrans-63.2-40.8178.3-66.8171.4000111.3A99 Y105 V106 Y107A99-L103 WeakPolarHBondContact O-CB 3.43Å; A99-L103 WeakPolarHBondContact O-CG 3.41Å; A99-L103 PolarHBondContact O-N 3.46Å; L103-Y105 VanDerWaalsContact C-N 3.31Å; L103-Y105 PolarHBondContact O-N 2.89Å; L103-V106 PolarHBondContact O-N 3.47Å; L103-Y107 HydrophobicContact CB-CD2 4.33Å; L103-Y107 HydrophobicContact CD2-CD2 4.37Å; L103-Y107 HydrophobicContact CD2-CE2 3.87Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 VanDerWaalsContact O-CD2 3.29Å; L103-Y107 WeakPolarHBondContact O-CD2 3.48Å; L103-Y107 PolarHBondContact O-N 2.89Å
104G90.1Very high91.2Very high43 Ų4387.3 Ų87.344%0.44347%0.471SS..Hα-helixtrans-60.9-40.4175.800000112.2A100 V101 V102 R108A100-G104 WeakPolarHBondContact O-CA 3.49Å; A100-G104 PolarHBondContact O-N 2.97Å; V101-G104 PolarHBondContact O-N 3.01Å; V102-G104 VanDerWaalsContact C-N 3.33Å; V102-G104 PolarHBondContact O-N 3.41Å; G104-R108 WeakPolarHBondContact O-CA 3.31Å; G104-R108 WeakPolarHBondContact O-CB 3.44Å; G104-R108 PolarHBondContact O-N 3.28Å; G104-R108 VanDerWaalsContact O-N 3.12Å
105Y89.3Confident90.7Very high153 Ų15387.9 Ų87.960%0.647%0.473SS*.Hα-helixtrans-67.2-47.4174.6-177-94.9000112.2V101 V102 L103 Y107 R108V101-Y105 WeakPolarHBondContact O-CB 3.23Å; V101-Y105 PolarHBondContact O-N 3.38Å; V102-Y105 PolarHBondContact O-N 3.26Å; L103-Y105 VanDerWaalsContact C-N 3.31Å; L103-Y105 PolarHBondContact O-N 2.89Å; Y105-Y107 PolarHBondContact O-N 3.38Å; Y105-R108 WeakPolarHBondContact O-CD 3.47Å; Y105-R108 VanDerWaalsContact O-CG 3.31Å; Y105-R108 WeakPolarHBondContact O-CG 3.22Å; Y105-R108 PolarHBondContact O-N 3.21Å; Y105-R108 PolarHBondContact OH-NH1 3.25Å; Y105-R108 VanDerWaalsContact OH-NH1 3.16Å
106V95.1Very high90.3Very high90 Ų9085 Ų8555%0.54546%0.457SS..Hα-helixtrans-64.2-40.6-178.7170.10000111.7V102 L103V102-V106 HydrophobicContact CG1-CG2 4.39Å; V102-V106 VanDerWaalsContact O-CG2 3.3Å; V102-V106 WeakPolarHBondContact O-CG2 3.37Å; V102-V106 PolarHBondContact O-N 2.83Å; L103-V106 PolarHBondContact O-N 3.47Å
107Y92.6Very high90Very high122 Ų12288.3 Ų88.348%0.47846%0.46SS..THydrogen-bonded Turntrans-96.510-177.1-66.4-64.9000114.4L103 Y105 D109 K110 V111L103-Y107 HydrophobicContact CB-CD2 4.33Å; L103-Y107 HydrophobicContact CD2-CD2 4.37Å; L103-Y107 HydrophobicContact CD2-CE2 3.87Å; L103-Y107 WeakPolarHBondContact O-CB 3.41Å; L103-Y107 VanDerWaalsContact O-CD2 3.29Å; L103-Y107 WeakPolarHBondContact O-CD2 3.48Å; L103-Y107 PolarHBondContact O-N 2.89Å; Y105-Y107 PolarHBondContact O-N 3.38Å; Y107-D109 VanDerWaalsContact C-N 3.29Å; Y107-D109 PolarHBondContact O-N 3.31Å; Y107-K110 HydrophobicContact CD1-CD 4.17Å; Y107-K110 WeakPolarHBondContact O-CA 3.21Å; Y107-K110 WeakPolarHBondContact O-CB 3.27Å; Y107-K110 PolarHBondContact O-N 3.49Å; Y107-V111 WeakPolarHBondContact O-CG2 3.37Å; Y107-V111 PolarHBondContact O-N 2.82Å
108R87.5Confident89.7Confident121 Ų12189.4 Ų89.446%0.45747%0.468SS..Hα-helixtrans-53.3-42.7-176.171.9-171.3-176.6-161.4-2.3113.7G104 Y105 V111 K112G104-R108 WeakPolarHBondContact O-CA 3.31Å; G104-R108 WeakPolarHBondContact O-CB 3.44Å; G104-R108 PolarHBondContact O-N 3.28Å; G104-R108 VanDerWaalsContact O-N 3.12Å; Y105-R108 WeakPolarHBondContact O-CD 3.47Å; Y105-R108 VanDerWaalsContact O-CG 3.31Å; Y105-R108 WeakPolarHBondContact O-CG 3.22Å; Y105-R108 PolarHBondContact O-N 3.21Å; Y105-R108 PolarHBondContact OH-NH1 3.25Å; Y105-R108 VanDerWaalsContact OH-NH1 3.16Å; R108-V111 PolarHBondContact O-N 3.27Å; R108-K112 PolarHBondContact O-N 3.1Å
109D88.9Confident89.4Confident99 Ų9984.8 Ų84.853%0.52944%0.444SS..Hα-helixtrans-72.3-36.6-177.7-65-50.7000110.4Y107 K112 T113Y107-D109 VanDerWaalsContact C-N 3.29Å; Y107-D109 PolarHBondContact O-N 3.31Å; D109-K112 WeakPolarHBondContact O-CB 3.49Å; D109-K112 PolarHBondContact O-N 2.97Å; D109-T113 WeakPolarHBondContact O-CG2 3.48Å; D109-T113 PolarHBondContact O-N 2.92Å; D109-T113 PolarHBondContact O-OG1 3.44Å
110K90.5Very high89.2Confident117 Ų11784.9 Ų84.951%0.50944%0.442SS..Hα-helixtrans-62.4-45.9173.6-160.7-177.1-177.6179.70110.9Y107 K112 T113 M114Y107-K110 HydrophobicContact CD1-CD 4.17Å; Y107-K110 WeakPolarHBondContact O-CA 3.21Å; Y107-K110 WeakPolarHBondContact O-CB 3.27Å; Y107-K110 PolarHBondContact O-N 3.49Å; K110-K112 VanDerWaalsContact C-N 3.31Å; K110-K112 PolarHBondContact O-N 2.99Å; K110-T113 WeakPolarHBondContact CA-OG1 3.32Å; K110-T113 PolarHBondContact O-N 3.04Å; K110-T113 PolarHBondContact O-OG1 3.24Å; K110-M114 HydrophobicContact CD-CE 3.87Å; K110-M114 HydrophobicContact CG-CE 3.89Å; K110-M114 WeakPolarHBondContact O-CG 3.38Å; K110-M114 PolarHBondContact O-N 3.46Å
111V84.5Confident89.1Confident75 Ų7586 Ų8646%0.45544%0.437SS..Hα-helixtrans-58.4-44.4175.6173.20000110.9Y107 R108 T113 M114 I115Y107-V111 WeakPolarHBondContact O-CG2 3.37Å; Y107-V111 PolarHBondContact O-N 2.82Å; R108-V111 PolarHBondContact O-N 3.27Å; V111-T113 PolarHBondContact O-N 3.3Å; V111-M114 PolarHBondContact O-N 2.79Å; V111-I115 HydrophobicContact CG1-CD1 4.03Å; V111-I115 WeakPolarHBondContact O-CG1 3.4Å; V111-I115 PolarHBondContact O-N 2.9Å
112K84.6Confident88.9Confident103 Ų10384.6 Ų84.645%0.44842%0.424SS..Hα-helixtrans-58-49.9175.4-170.2-171.3177.9-149.80111.4R108 D109 K110 M114 I115 E116R108-K112 PolarHBondContact O-N 3.1Å; D109-K112 WeakPolarHBondContact O-CB 3.49Å; D109-K112 PolarHBondContact O-N 2.97Å; K110-K112 VanDerWaalsContact C-N 3.31Å; K110-K112 PolarHBondContact O-N 2.99Å; K112-M114 VanDerWaalsContact C-N 3.3Å; K112-M114 PolarHBondContact O-N 3.42Å; K112-I115 WeakPolarHBondContact O-CB 3.43Å; K112-I115 PolarHBondContact O-N 2.93Å; K112-E116 WeakPolarHBondContact CE-OE1 3.39Å; K112-E116 IonicContact NZ-OE1 3.55Å; K112-E116 WeakPolarHBondContact O-CG 3.35Å; K112-E116 PolarHBondContact O-N 3.33Å
113T88.9Confident88.8Confident77 Ų7781.3 Ų81.347%0.47240%0.404SS..Hα-helixtrans-64.1-33.2178.957.90000113.3D109 K110 V111 E116 K117D109-T113 WeakPolarHBondContact O-CG2 3.48Å; D109-T113 PolarHBondContact O-N 2.92Å; D109-T113 PolarHBondContact O-OG1 3.44Å; K110-T113 WeakPolarHBondContact CA-OG1 3.32Å; K110-T113 PolarHBondContact O-N 3.04Å; K110-T113 PolarHBondContact O-OG1 3.24Å; V111-T113 PolarHBondContact O-N 3.3Å; T113-E116 PolarHBondContact O-N 2.93Å; T113-K117 VanDerWaalsContact O-CB 3.32Å; T113-K117 WeakPolarHBondContact O-CB 3.42Å; T113-K117 PolarHBondContact O-N 3.42Å
114M85.3Confident88.6Confident93 Ų9381.6 Ų81.646%0.45841%0.41SS..Hα-helixtrans-65.5-43.6174.5-72.9-173.8-168.500111.4K110 V111 K112 E116 K117 N118K110-M114 HydrophobicContact CD-CE 3.87Å; K110-M114 HydrophobicContact CG-CE 3.89Å; K110-M114 WeakPolarHBondContact O-CG 3.38Å; K110-M114 PolarHBondContact O-N 3.46Å; V111-M114 PolarHBondContact O-N 2.79Å; K112-M114 VanDerWaalsContact C-N 3.3Å; K112-M114 PolarHBondContact O-N 3.42Å; M114-E116 VanDerWaalsContact C-N 3.34Å; M114-K117 PolarHBondContact O-N 2.98Å; M114-N118 VanDerWaalsContact O-CB 3.28Å; M114-N118 WeakPolarHBondContact O-CB 3.34Å; M114-N118 PolarHBondContact O-N 3.33Å; M114-N118 PolarHBondContact O-OD1 2.86Å
115I83.8Confident88.6Confident40 Ų4083.2 Ų83.221%0.20541%0.408CS..Hα-helixtrans-59.6-48.7176.3-71165.8000110.3V111 K112 K117 N118 L119 M197 L201V111-I115 HydrophobicContact CG1-CD1 4.03Å; V111-I115 WeakPolarHBondContact O-CG1 3.4Å; V111-I115 PolarHBondContact O-N 2.9Å; K112-I115 WeakPolarHBondContact O-CB 3.43Å; K112-I115 PolarHBondContact O-N 2.93Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.35Å; I115-N118 PolarHBondContact O-N 3.39Å; I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 PolarHBondContact O-N 3.19Å; I115-M197 HydrophobicContact CG2-CE 4.26Å; I115-M197 HydrophobicContact CG2-SD 3.34Å; I115-M197 WeakPolarHBondContact CG2-SD 3.28Å; I115-L201 HydrophobicContact CD1-CD1 3.74Å
116E87.8Confident88.7Confident47 Ų4776.5 Ų76.522%0.2238%0.382CS..Hα-helixtrans-59-45179-70.8-176.5-17900112K112 T113 M114 S120 R194K112-E116 WeakPolarHBondContact CE-OE1 3.39Å; K112-E116 IonicContact NZ-OE1 3.55Å; K112-E116 WeakPolarHBondContact O-CG 3.35Å; K112-E116 PolarHBondContact O-N 3.33Å; T113-E116 PolarHBondContact O-N 2.93Å; M114-E116 VanDerWaalsContact C-N 3.34Å; E116-S120 WeakPolarHBondContact O-CB 2.78Å; E116-S120 PolarHBondContact O-N 2.96Å; E116-R194 VanDerWaalsContact CB-NH1 3.28Å; E116-R194 HydrophobicContact CG-CG 4.48Å; E116-R194 PolarHBondContact O-NH2 2.95Å; E116-R194 IonicContact OE1-NH1 3.75Å; E116-R194 IonicContact OE2-NH1 3.17Å; E116-R194 PolarHBondContact OE2-NH1 3.48Å; E116-R194 VanDerWaalsContact OE2-NH1 3.17Å
117K89.1Confident88.3Confident128 Ų12877.5 Ų77.556%0.55738%0.379SS*.Hα-helixtrans-67-48178.7-177.8176.6171.61790112T113 M114 I115 L119 S120 E121T113-K117 VanDerWaalsContact O-CB 3.32Å; T113-K117 WeakPolarHBondContact O-CB 3.42Å; T113-K117 PolarHBondContact O-N 3.42Å; M114-K117 PolarHBondContact O-N 2.98Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.35Å; K117-L119 PolarHBondContact O-N 3.46Å; K117-S120 PolarHBondContact O-N 3.17Å; K117-E121 WeakPolarHBondContact CE-OE1 3.49Å; K117-E121 HydrophobicContact CG-CG 4.45Å; K117-E121 IonicContact NZ-OE1 2.7Å; K117-E121 WeakPolarHBondContact O-CB 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.32Å; K117-E121 PolarHBondContact O-N 3.38Å
118N86.4Confident88.1Confident80 Ų8076.6 Ų76.643%0.42839%0.391SS..Hα-helixtrans-62.9-43-177.5-71.7-3.2000111.4M114 I115 E121 M122M114-N118 VanDerWaalsContact O-CB 3.28Å; M114-N118 WeakPolarHBondContact O-CB 3.34Å; M114-N118 PolarHBondContact O-N 3.33Å; M114-N118 PolarHBondContact O-OD1 2.86Å; I115-N118 PolarHBondContact O-N 3.39Å; N118-E121 PolarHBondContact O-N 3.04Å; N118-M122 VanDerWaalsContact O-CG 3.23Å; N118-M122 WeakPolarHBondContact O-CG 3.28Å; N118-M122 PolarHBondContact O-N 2.94Å
119L87.3Confident87.9Confident8 Ų871.9 Ų71.94%0.04238%0.38CS..Hα-helixtrans-64.8-43.2178.3-174.961000111.3I115 K117 E121 M122 I123 F140 D149 C193 R194 M197I115-L119 WeakPolarHBondContact O-CB 3.36Å; I115-L119 PolarHBondContact O-N 3.19Å; K117-L119 PolarHBondContact O-N 3.46Å; L119-E121 PolarHBondContact O-N 2.9Å; L119-M122 PolarHBondContact O-N 3.35Å; L119-I123 WeakPolarHBondContact O-CG1 3.24Å; L119-I123 PolarHBondContact O-N 2.75Å; L119-I123 VanDerWaalsContact O-N 3.11Å; L119-F140 HydrophobicContact CD1-CD1 4.34Å; L119-F140 HydrophobicContact CD1-CE1 3.95Å; L119-D149 HydrophobicContact CD2-CB 4.47Å; L119-D149 WeakPolarHBondContact CD2-OD1 3.27Å; L119-D149 HydrophobicContact CG-CB 4.23Å; L119-C193 HydrophobicContact CD2-CB 4.09Å; L119-R194 HydrophobicContact CD2-CB 3.81Å; L119-M197 HydrophobicContact CD2-CE 4.32Å
120S90.8Very high87.7Confident46 Ų4670 Ų7032%0.32237%0.374SS..Hα-helixtrans-61.3-42.5175.8-166.10000112.3E116 K117 I123 T124 D149E116-S120 WeakPolarHBondContact O-CB 2.78Å; E116-S120 PolarHBondContact O-N 2.96Å; K117-S120 PolarHBondContact O-N 3.17Å; S120-I123 PolarHBondContact O-N 3.06Å; S120-T124 WeakPolarHBondContact O-CB 3.47Å; S120-T124 PolarHBondContact O-N 2.98Å; S120-T124 PolarHBondContact O-OG1 3.28Å; S120-D149 WeakPolarHBondContact CB-OD2 3.5Å
121E89.3Confident87.3Confident83 Ų8370.2 Ų70.239%0.38838%0.377SS..Hα-helixtrans-64.9-40.2175.9-76.2178.4178.800112.1K117 N118 L119 T124 N125K117-E121 WeakPolarHBondContact CE-OE1 3.49Å; K117-E121 HydrophobicContact CG-CG 4.45Å; K117-E121 IonicContact NZ-OE1 2.7Å; K117-E121 WeakPolarHBondContact O-CB 3.35Å; K117-E121 WeakPolarHBondContact O-CG 3.32Å; K117-E121 PolarHBondContact O-N 3.38Å; N118-E121 PolarHBondContact O-N 3.04Å; L119-E121 PolarHBondContact O-N 2.9Å; E121-T124 PolarHBondContact O-N 3.04Å; E121-N125 VanDerWaalsContact O-CB 3.22Å; E121-N125 WeakPolarHBondContact O-CB 3.32Å; E121-N125 VanDerWaalsContact O-CG 3.31Å; E121-N125 PolarHBondContact O-N 3.03Å; E121-N125 PolarHBondContact O-ND2 3.47Å; E121-N125 VanDerWaalsContact O-ND2 3.13Å
122M87.4Confident86.8Confident75 Ų7567.8 Ų67.837%0.36936%0.361SS..Hα-helixtrans-61.7-44.2176.7-72.1175.1-173.400112.1N118 L119 Y126 L133 V137N118-M122 VanDerWaalsContact O-CG 3.23Å; N118-M122 WeakPolarHBondContact O-CG 3.28Å; N118-M122 PolarHBondContact O-N 2.94Å; L119-M122 PolarHBondContact O-N 3.35Å; M122-Y126 PolarHBondContact O-N 3.5Å; M122-Y126 VanDerWaalsContact O-N 3.13Å; M122-L133 HydrophobicContact CB-CD1 4.11Å; M122-L133 HydrophobicContact CG-CD1 3.86Å; M122-V137 HydrophobicContact CB-CG2 4.04Å
123I91.7Very high86.7Confident12 Ų1264.6 Ų64.66%0.06235%0.349CS..Hα-helixtrans-67.5-44.3177.5-61.3-62.3000110.7L119 S120 N125 Y126 V137 D149 D154 W155L119-I123 WeakPolarHBondContact O-CG1 3.24Å; L119-I123 PolarHBondContact O-N 2.75Å; L119-I123 VanDerWaalsContact O-N 3.11Å; S120-I123 PolarHBondContact O-N 3.06Å; I123-N125 PolarHBondContact O-N 3.49Å; I123-Y126 VanDerWaalsContact O-CB 3.27Å; I123-Y126 WeakPolarHBondContact O-CB 3.1Å; I123-Y126 PolarHBondContact O-N 2.79Å; I123-V137 HydrophobicContact CD1-CG1 3.88Å; I123-D149 HydrophobicContact CG1-CB 4.21Å; I123-D154 HydrophobicContact CG2-CB 4.12Å; I123-W155 HydrophobicContact CD1-CH2 3.97Å; I123-W155 HydrophobicContact CD1-CZ2 3.63Å; I123-W155 HydrophobicContact CG2-CD2 4.26Å; I123-W155 HydrophobicContact CG2-CE3 4.13Å; I123-W155 HydrophobicContact CG2-CH2 4.12Å; I123-W155 HydrophobicContact CG2-CZ2 4.23Å; I123-W155 HydrophobicContact CG2-CZ3 4.06Å
124T90.5Very high86.7Confident102 Ų10263.6 Ų63.663%0.62634%0.337SS*.Hα-helixtrans-64.5-41.8-179.3-56.30000111.9S120 E121 Y126S120-T124 WeakPolarHBondContact O-CB 3.47Å; S120-T124 PolarHBondContact O-N 2.98Å; S120-T124 PolarHBondContact O-OG1 3.28Å; E121-T124 PolarHBondContact O-N 3.04Å; T124-Y126 VanDerWaalsContact C-N 3.3Å; T124-Y126 PolarHBondContact O-N 3.5Å
125N89.6Confident86.8Confident76 Ų7662.8 Ų62.841%0.40633%0.333SS..THydrogen-bonded Turntrans-84.2-1-179.1-66.5-36.6000113.2E121 I123 K127 S128 G129 L133E121-N125 VanDerWaalsContact O-CB 3.22Å; E121-N125 WeakPolarHBondContact O-CB 3.32Å; E121-N125 VanDerWaalsContact O-CG 3.31Å; E121-N125 PolarHBondContact O-N 3.03Å; E121-N125 PolarHBondContact O-ND2 3.47Å; E121-N125 VanDerWaalsContact O-ND2 3.13Å; I123-N125 PolarHBondContact O-N 3.49Å; N125-K127 VanDerWaalsContact C-N 3.33Å; N125-K127 PolarHBondContact O-N 2.9Å; N125-S128 PolarHBondContact O-N 3.37Å; N125-G129 WeakPolarHBondContact O-CA 3.21Å; N125-G129 PolarHBondContact O-N 3.42Å; N125-L133 HydrophobicContact CB-CD2 3.93Å
126Y90.4Very high86.9Confident13 Ų1363.6 Ų63.65%0.05134%0.34CS..THydrogen-bonded Turntrans-55.6-43.9-175.6179.9-95.3000113.2M122 I123 T124 K134 V137 D138 W155 Y158 P166M122-Y126 PolarHBondContact O-N 3.5Å; M122-Y126 VanDerWaalsContact O-N 3.13Å; I123-Y126 VanDerWaalsContact O-CB 3.27Å; I123-Y126 WeakPolarHBondContact O-CB 3.1Å; I123-Y126 PolarHBondContact O-N 2.79Å; T124-Y126 VanDerWaalsContact C-N 3.3Å; T124-Y126 PolarHBondContact O-N 3.5Å; Y126-K134 HydrophobicContact CD2-CB 4.31Å; Y126-K134 HydrophobicContact CD2-CG 4Å; Y126-K134 HydrophobicContact CE1-CG 4.43Å; Y126-K134 VanDerWaalsContact CE2-CA 3.46Å; Y126-K134 HydrophobicContact CE2-CB 3.73Å; Y126-K134 HydrophobicContact CE2-CG 3.79Å; Y126-K134 HydrophobicContact CG-CG 4.42Å; Y126-K134 WeakPolarHBondContact O-CE 3.31Å; Y126-K134 WeakPolarHBondContact O-CG 2.96Å; Y126-V137 HydrophobicContact CD2-CB 3.8Å; Y126-V137 HydrophobicContact CD2-CG1 3.8Å; Y126-V137 HydrophobicContact CD2-CG2 4.15Å; Y126-V137 HydrophobicContact CE2-CB 3.95Å; Y126-V137 HydrophobicContact CE2-CG1 3.98Å; Y126-D138 PolarHBondContact OH-OD1 3.23Å; Y126-D138 PolarHBondContact OH-OD2 3.34Å; Y126-W155 AromaticContact CD1-CH2 3.65Å; Y126-W155 HydrophobicContact CD1-CH2 3.65Å; Y126-W155 AromaticContact CD1-CZ3 3.53Å; Y126-W155 HydrophobicContact CD1-CZ3 3.53Å; Y126-W155 AromaticContact CD2-CH2 3.78Å; Y126-W155 HydrophobicContact CD2-CH2 3.78Å; Y126-W155 HydrophobicContact CD2-CZ3 4.42Å; Y126-W155 HydrophobicContact CE1-CH2 4.22Å; Y126-W155 HydrophobicContact CE1-CZ3 4.31Å; Y126-W155 HydrophobicContact CE2-CH2 4.31Å; Y126-W155 AromaticContact CG-CH2 3.41Å; Y126-W155 HydrophobicContact CG-CH2 3.41Å; Y126-W155 VanDerWaalsContact CG-CH2 3.41Å; Y126-W155 AromaticContact CG-CZ3 3.61Å; Y126-W155 HydrophobicContact CG-CZ3 3.61Å; Y126-Y158 HydrophobicContact CD1-CD2 4.01Å; Y126-Y158 AromaticContact CD1-CE2 3.84Å; Y126-Y158 HydrophobicContact CD1-CE2 3.84Å; Y126-Y158 HydrophobicContact CE1-CD2 4.14Å; Y126-Y158 AromaticContact CE1-CE2 3.53Å; Y126-Y158 HydrophobicContact CE1-CE2 3.53Å; Y126-P166 HydrophobicContact CD1-CG 4.3Å; Y126-P166 HydrophobicContact CE1-CB 4.28Å; Y126-P166 HydrophobicContact CE1-CG 3.7Å
127K87.9Confident87Confident110 Ų11061.7 Ų61.748%0.47833%0.331SS..THydrogen-bonded Turntrans-65.6-46.2-176.6-173.9170.4-177.4163.60112.2N125 K134 Y158 D160N125-K127 VanDerWaalsContact C-N 3.33Å; N125-K127 PolarHBondContact O-N 2.9Å; K127-K134 PolarHBondContact O-NZ 3Å; K127-Y158 PolarHBondContact NZ-O 3.49Å; K127-D160 IonicContact NZ-OD1 3.96Å
128S87.8Confident87.2Confident103 Ų10357.9 Ų57.972%0.7232%0.317SS*.THydrogen-bonded Turntrans-91.8-6.1-177.851.10000114.2N125N125-S128 PolarHBondContact O-N 3.37Å
129G83.3Confident87.4Confident22 Ų2260.3 Ų60.323%0.22732%0.324CS..SBendtrans-78.8171.7-175.300000113.6N125N125-G129 WeakPolarHBondContact O-CA 3.21Å; N125-G129 PolarHBondContact O-N 3.42Å
130S84.7Confident87.5Confident59 Ų5963 Ų6341%0.41334%0.335SS..  trans-62.4159.117661.90000111.5E132 L133 K134S130-E132 PolarHBondContact O-N 3.24Å; S130-L133 PolarHBondContact O-N 3.43Å; S130-L133 PolarHBondContact OG-N 3.1Å; S130-K134 PolarHBondContact O-N 3.48Å
131Q82.3Confident87.7Confident122 Ų12260.8 Ų60.857%0.5732%0.32SS*.Hα-helixtrans-56.2-33.9172.3-176.462.512.200111.6K134 E135Q131-K134 WeakPolarHBondContact O-CB 3.38Å; Q131-K134 PolarHBondContact O-N 3.05Å; Q131-E135 WeakPolarHBondContact O-CG 3.3Å; Q131-E135 PolarHBondContact O-N 3.1Å
132E74.2Confident87.9Confident24 Ų2459.4 Ų59.411%0.11232%0.317CS..Hα-helixtrans-65.2-43.2177.4-64.4166-169.900113F43 Q44 S130 K134 E135 T136F43-E132 VanDerWaalsContact CA-CD 3.41Å; F43-E132 WeakPolarHBondContact CA-OE1 3.36Å; F43-E132 HydrophobicContact CB-CG 4.2Å; F43-E132 HydrophobicContact CD1-CB 3.62Å; F43-E132 VanDerWaalsContact CD1-CD 3.46Å; F43-E132 HydrophobicContact CD1-CG 3.59Å; F43-E132 VanDerWaalsContact CD1-OE2 3.24Å; F43-E132 WeakPolarHBondContact CD1-OE2 3.1Å; F43-E132 HydrophobicContact CE1-CB 3.78Å; F43-E132 HydrophobicContact CE1-CG 4.2Å; F43-E132 HydrophobicContact CG-CG 4.04Å; Q44-E132 PolarHBondContact N-OE1 3.04Å; Q44-E132 VanDerWaalsContact N-OE1 3.1Å; S130-E132 PolarHBondContact O-N 3.24Å; E132-K134 VanDerWaalsContact C-N 3.27Å; E132-K134 PolarHBondContact O-N 3.18Å; E132-E135 PolarHBondContact O-N 3.18Å; E132-T136 VanDerWaalsContact O-CB 3.27Å; E132-T136 WeakPolarHBondContact O-CB 3.45Å; E132-T136 PolarHBondContact O-N 3.04Å; E132-T136 PolarHBondContact O-OG1 3.11Å
133L83.3Confident88.2Confident37 Ų3760.9 Ų60.919%0.19433%0.33CS..Hα-helixtrans-60.2-43.9174.2-179.768.3000109.7M122 N125 S130 T136 V137M122-L133 HydrophobicContact CB-CD1 4.11Å; M122-L133 HydrophobicContact CG-CD1 3.86Å; N125-L133 HydrophobicContact CB-CD2 3.93Å; S130-L133 PolarHBondContact O-N 3.43Å; S130-L133 PolarHBondContact OG-N 3.1Å; L133-T136 PolarHBondContact O-N 3.27Å; L133-V137 HydrophobicContact CD1-CG2 4.37Å; L133-V137 VanDerWaalsContact O-CG2 3.31Å; L133-V137 WeakPolarHBondContact O-CG2 3.48Å; L133-V137 PolarHBondContact O-N 3.11Å
134K87.8Confident88.2Confident55 Ų5561.6 Ų61.624%0.23933%0.334CS..Hα-helixtrans-61.9-52.1179.5-66.5173-179.6173.10111.7Y126 K127 S130 Q131 E132 T136 V137 D138Y126-K134 HydrophobicContact CD2-CB 4.31Å; Y126-K134 HydrophobicContact CD2-CG 4Å; Y126-K134 HydrophobicContact CE1-CG 4.43Å; Y126-K134 VanDerWaalsContact CE2-CA 3.46Å; Y126-K134 HydrophobicContact CE2-CB 3.73Å; Y126-K134 HydrophobicContact CE2-CG 3.79Å; Y126-K134 HydrophobicContact CG-CG 4.42Å; Y126-K134 WeakPolarHBondContact O-CE 3.31Å; Y126-K134 WeakPolarHBondContact O-CG 2.96Å; K127-K134 PolarHBondContact O-NZ 3Å; S130-K134 PolarHBondContact O-N 3.48Å; Q131-K134 WeakPolarHBondContact O-CB 3.38Å; Q131-K134 PolarHBondContact O-N 3.05Å; E132-K134 VanDerWaalsContact C-N 3.27Å; E132-K134 PolarHBondContact O-N 3.18Å; K134-T136 VanDerWaalsContact C-N 3.26Å; K134-T136 PolarHBondContact O-N 3.34Å; K134-V137 PolarHBondContact O-N 3.29Å; K134-D138 WeakPolarHBondContact O-CB 3.29Å; K134-D138 VanDerWaalsContact O-CG 3.24Å; K134-D138 PolarHBondContact O-N 3.35Å
135E87.6Confident88.4Confident77 Ų7763 Ų6336%0.3633%0.331SS..Hα-helixtrans-60.3-36.4177.3-74.1-177.4-16300112.8Q131 E132 K139Q131-E135 WeakPolarHBondContact O-CG 3.3Å; Q131-E135 PolarHBondContact O-N 3.1Å; E132-E135 PolarHBondContact O-N 3.18Å; E135-K139 VanDerWaalsContact O-CB 3.31Å; E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 WeakPolarHBondContact O-CG 3.46Å; E135-K139 PolarHBondContact O-N 2.92Å
136T85.5Confident88.8Confident57 Ų5759.4 Ų59.435%0.3531%0.312SS..Hα-helixtrans-66.2-49.1177.2-60.70000110.6E132 L133 K134 D138 K139 F140E132-T136 VanDerWaalsContact O-CB 3.27Å; E132-T136 WeakPolarHBondContact O-CB 3.45Å; E132-T136 PolarHBondContact O-N 3.04Å; E132-T136 PolarHBondContact O-OG1 3.11Å; L133-T136 PolarHBondContact O-N 3.27Å; K134-T136 VanDerWaalsContact C-N 3.26Å; K134-T136 PolarHBondContact O-N 3.34Å; T136-D138 VanDerWaalsContact C-N 3.33Å; T136-D138 PolarHBondContact O-N 3.44Å; T136-K139 PolarHBondContact O-N 3.45Å; T136-F140 WeakPolarHBondContact O-CB 3.47Å; T136-F140 PolarHBondContact O-N 3.27Å
137V90.4Very high89.1Confident7 Ų758.8 Ų58.84%0.04231%0.31CS..Hα-helixtrans-61.7-42.2176.6171.90000110.7M122 I123 Y126 L133 K134 F140 Q141 W155M122-V137 HydrophobicContact CB-CG2 4.04Å; I123-V137 HydrophobicContact CD1-CG1 3.88Å; Y126-V137 HydrophobicContact CD2-CB 3.8Å; Y126-V137 HydrophobicContact CD2-CG1 3.8Å; Y126-V137 HydrophobicContact CD2-CG2 4.15Å; Y126-V137 HydrophobicContact CE2-CB 3.95Å; Y126-V137 HydrophobicContact CE2-CG1 3.98Å; L133-V137 HydrophobicContact CD1-CG2 4.37Å; L133-V137 VanDerWaalsContact O-CG2 3.31Å; L133-V137 WeakPolarHBondContact O-CG2 3.48Å; L133-V137 PolarHBondContact O-N 3.11Å; K134-V137 PolarHBondContact O-N 3.29Å; V137-F140 WeakPolarHBondContact O-CB 3.37Å; V137-F140 PolarHBondContact O-N 2.9Å; V137-Q141 HydrophobicContact CG1-CG 4.42Å; V137-Q141 WeakPolarHBondContact O-CB 3.35Å; V137-Q141 WeakPolarHBondContact O-CG 3.31Å; V137-Q141 PolarHBondContact O-N 3.48Å; V137-W155 HydrophobicContact CG1-CH2 4.17Å; V137-W155 HydrophobicContact CG1-CZ2 4.12Å
138D92.9Very high89.4Confident47 Ų4753.5 Ų53.525%0.25129%0.287SS..Hα-helixtrans-65-46.7179.8-74.5-16.4000112.4Y126 K134 T136 F140 Q141 T142 S168Y126-D138 PolarHBondContact OH-OD1 3.23Å; Y126-D138 PolarHBondContact OH-OD2 3.34Å; K134-D138 WeakPolarHBondContact O-CB 3.29Å; K134-D138 VanDerWaalsContact O-CG 3.24Å; K134-D138 PolarHBondContact O-N 3.35Å; T136-D138 VanDerWaalsContact C-N 3.33Å; T136-D138 PolarHBondContact O-N 3.44Å; D138-F140 VanDerWaalsContact C-N 3.26Å; D138-F140 PolarHBondContact O-N 2.91Å; D138-Q141 PolarHBondContact O-N 3.35Å; D138-T142 WeakPolarHBondContact O-CB 3.33Å; D138-T142 WeakPolarHBondContact O-CG2 3.41Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 3.02Å; D138-S168 VanDerWaalsContact CA-CB 3.45Å; D138-S168 VanDerWaalsContact OD1-CB 3.22Å; D138-S168 WeakPolarHBondContact OD1-CB 3.47Å; D138-S168 PolarHBondContact OD1-OG 2.93Å
139K90.1Very high89.7Confident132 Ų13248.9 Ų48.957%0.57425%0.254SS*.Hα-helixtrans-61.4-39.3173.1-79.9176-179.8162.80111E135 T136 T142 T143E135-K139 VanDerWaalsContact O-CB 3.31Å; E135-K139 WeakPolarHBondContact O-CB 3.4Å; E135-K139 WeakPolarHBondContact O-CG 3.46Å; E135-K139 PolarHBondContact O-N 2.92Å; T136-K139 PolarHBondContact O-N 3.45Å; K139-T142 WeakPolarHBondContact CA-OG1 3.24Å; K139-T142 PolarHBondContact O-OG1 2.92Å; K139-T142 VanDerWaalsContact O-OG1 3.1Å; K139-T143 WeakPolarHBondContact O-CB 3.49Å; K139-T143 PolarHBondContact O-N 3.32Å; K139-T143 PolarHBondContact O-OG1 3.31Å
140F89.4Confident90.2Very high63 Ų6353.1 Ų53.128%0.27627%0.268SS..Hα-helixtrans-64-48.1-179.8-166.2-111.3000111.5L119 T136 V137 D138 T143 L144 C193 M197L119-F140 HydrophobicContact CD1-CD1 4.34Å; L119-F140 HydrophobicContact CD1-CE1 3.95Å; T136-F140 WeakPolarHBondContact O-CB 3.47Å; T136-F140 PolarHBondContact O-N 3.27Å; V137-F140 WeakPolarHBondContact O-CB 3.37Å; V137-F140 PolarHBondContact O-N 2.9Å; D138-F140 VanDerWaalsContact C-N 3.26Å; D138-F140 PolarHBondContact O-N 2.91Å; F140-T143 PolarHBondContact O-N 3.09Å; F140-L144 HydrophobicContact CD1-CD1 4.31Å; F140-L144 HydrophobicContact CD2-CD1 4.11Å; F140-L144 HydrophobicContact CD2-CG 4.41Å; F140-L144 HydrophobicContact CE1-CD1 3.67Å; F140-L144 HydrophobicContact CE2-CD1 3.41Å; F140-L144 VanDerWaalsContact CE2-CD1 3.41Å; F140-L144 HydrophobicContact CE2-CG 4.11Å; F140-L144 HydrophobicContact CG-CD1 4.48Å; F140-L144 HydrophobicContact CZ-CD1 3.12Å; F140-L144 HydrophobicContact CZ-CG 4.22Å; F140-L144 WeakPolarHBondContact O-CB 3.25Å; F140-L144 PolarHBondContact O-N 2.84Å; F140-C193 HydrophobicContact CD1-CB 4.21Å; F140-C193 HydrophobicContact CE1-CB 3.75Å; F140-M197 HydrophobicContact CE1-CE 3.8Å; F140-M197 HydrophobicContact CE2-CE 4.2Å; F140-M197 HydrophobicContact CZ-CE 3.25Å
141Q94.9Very high90.7Very high1 Ų152.7 Ų52.71%0.00526%0.261CS..Hα-helixtrans-64.6-44.4179-74.5-177.5-19.700112.6V137 D138 K145 C146 W155 S168 C169V137-Q141 HydrophobicContact CG1-CG 4.42Å; V137-Q141 WeakPolarHBondContact O-CB 3.35Å; V137-Q141 WeakPolarHBondContact O-CG 3.31Å; V137-Q141 PolarHBondContact O-N 3.48Å; D138-Q141 PolarHBondContact O-N 3.35Å; Q141-K145 VanDerWaalsContact O-CA 3.29Å; Q141-K145 WeakPolarHBondContact O-CA 3.27Å; Q141-K145 PolarHBondContact O-N 3.47Å; Q141-C146 WeakPolarHBondContact CB-O 3.46Å; Q141-C146 PolarHBondContact O-N 2.89Å; Q141-W155 VanDerWaalsContact NE2-CZ2 3.27Å; Q141-S168 PolarHBondContact OE1-OG 3.29Å; Q141-S168 VanDerWaalsContact OE1-OG 3.07Å; Q141-C169 PolarHBondContact OE1-SG 3.31Å
142T94.9Very high91.4Very high54 Ų5446.9 Ų46.933%0.33123%0.234SC..Hα-helixtrans-67.8-39.4177.551.60000112.6D138 K139 S168 V173D138-T142 WeakPolarHBondContact O-CB 3.33Å; D138-T142 WeakPolarHBondContact O-CG2 3.41Å; D138-T142 PolarHBondContact O-N 2.9Å; D138-T142 PolarHBondContact O-OG1 3.02Å; K139-T142 WeakPolarHBondContact CA-OG1 3.24Å; K139-T142 PolarHBondContact O-OG1 2.92Å; K139-T142 VanDerWaalsContact O-OG1 3.1Å; T142-S168 WeakPolarHBondContact CG2-O 3.25Å; T142-V173 HydrophobicContact CG2-CG2 3.83Å
143T92.3Very high92.4Very high106 Ų10648.8 Ų48.865%0.6525%0.247SC*.Hα-helixtrans-71.1-44.6-179.7-58.60000111.7K139 F140K139-T143 WeakPolarHBondContact O-CB 3.49Å; K139-T143 PolarHBondContact O-N 3.32Å; K139-T143 PolarHBondContact O-OG1 3.31Å; F140-T143 PolarHBondContact O-N 3.09Å
144L92.7Very high92.9Very high27 Ų2749.5 Ų49.514%0.14125%0.251CS..Hα-helixtrans-86.8-7.2-178.8-65.6-165.6000113.8F140 C146 I196 M200F140-L144 HydrophobicContact CD1-CD1 4.31Å; F140-L144 HydrophobicContact CD2-CD1 4.11Å; F140-L144 HydrophobicContact CD2-CG 4.41Å; F140-L144 HydrophobicContact CE1-CD1 3.67Å; F140-L144 HydrophobicContact CE2-CD1 3.41Å; F140-L144 VanDerWaalsContact CE2-CD1 3.41Å; F140-L144 HydrophobicContact CE2-CG 4.11Å; F140-L144 HydrophobicContact CG-CD1 4.48Å; F140-L144 HydrophobicContact CZ-CD1 3.12Å; F140-L144 HydrophobicContact CZ-CG 4.22Å; F140-L144 WeakPolarHBondContact O-CB 3.25Å; F140-L144 PolarHBondContact O-N 2.84Å; L144-C146 VanDerWaalsContact CB-SG 3.57Å; L144-I196 HydrophobicContact CB-CG2 4.36Å; L144-I196 VanDerWaalsContact O-CD1 3.27Å; L144-I196 WeakPolarHBondContact O-CD1 3.45Å; L144-M200 HydrophobicContact CD2-CE 4.13Å; L144-M200 HydrophobicContact CD2-SD 3.53Å; L144-M200 VanDerWaalsContact CD2-SD 3.53Å
145K95.3Very high93.3Very high131 Ų13147.2 Ų47.257%0.5724%0.241SC*.THydrogen-bonded Turntrans55.553-179.4-59.2-173.1179.2-172.80111.8Q141 Y189Q141-K145 VanDerWaalsContact O-CA 3.29Å; Q141-K145 WeakPolarHBondContact O-CA 3.27Å; Q141-K145 PolarHBondContact O-N 3.47Å; K145-Y189 HydrophobicContact CB-CD1 4.21Å; K145-Y189 HydrophobicContact CB-CE1 3.66Å; K145-Y189 HydrophobicContact CB-CE2 4.06Å; K145-Y189 HydrophobicContact CG-CE1 4.34Å; K145-Y189 HydrophobicContact CG-CE2 4.45Å; K145-Y189 WeakPolarHBondContact O-CD1 3.38Å
146C96.3Very high93.5Very high0 Ų049.6 Ų49.60%025%0.25CS..  trans-136.8168.5-178.754.90000111Q141 L144 Q191 C193 I196Q141-C146 WeakPolarHBondContact CB-O 3.46Å; Q141-C146 PolarHBondContact O-N 2.89Å; L144-C146 VanDerWaalsContact CB-SG 3.57Å; C146-Q191 CarbonylContact C-O 3.34Å; C146-Q191 VanDerWaalsContact CA-O 3.32Å; C146-Q191 WeakPolarHBondContact CA-O 3.43Å; C146-Q191 VanDerWaalsContact CB-O 3.3Å; C146-Q191 WeakPolarHBondContact CB-O 3.32Å; C146-C193 HydrophobicContact CB-CB 3.85Å; C146-C193 WeakPolarHBondContact CB-SG 3.36Å; C146-C193 WeakPolarHBondContact SG-CA 3.38Å; C146-C193 WeakPolarHBondContact SG-CB 3.44Å; C146-C193 CovalentContact SG-SG 2.03Å; C146-C193 PolarHBondContact SG-SG 3.27Å; C146-I196 HydrophobicContact CB-CD1 3.74Å; C146-I196 HydrophobicContact CB-CG1 4.49Å
147C96.7Very high93.8Very high0 Ų052.9 Ų52.90%027%0.266CS..  trans-139.9132.2174.2-170.60000111.2N151 S152 W155 C169 V188 Y189 Q191 G192C147-N151 CarbonylContact O-C 3.4Å; C147-N151 WeakPolarHBondContact O-CA 3.46Å; C147-S152 PolarHBondContact O-N 2.92Å; C147-W155 PolarHBondContact SG-NE1 3.5Å; C147-W155 VanDerWaalsContact SG-NE1 3.36Å; C147-C169 WeakPolarHBondContact CA-SG 3.36Å; C147-C169 HydrophobicContact CB-CB 3.64Å; C147-C169 WeakPolarHBondContact CB-SG 3.35Å; C147-C169 WeakPolarHBondContact SG-CB 3.39Å; C147-C169 CovalentContact SG-SG 2.03Å; C147-C169 PolarHBondContact SG-SG 2.93Å; C147-V188 HydrophobicContact CB-CG1 4.34Å; C147-Y189 WeakPolarHBondContact CB-O 3.31Å; C147-Q191 PolarHBondContact N-O 3.29Å; C147-G192 WeakPolarHBondContact O-CA 3.47Å
148G95.2Very high93.7Very high0 Ų056 Ų560%028%0.277CS..SBendtrans71.7-170.2-177.800000113.8N151 C193G148-N151 WeakPolarHBondContact CA-O 3.41Å; G148-C193 VanDerWaalsContact O-CB 3.3Å; G148-C193 WeakPolarHBondContact O-CB 3.32Å; G148-C193 PolarHBondContact O-N 3.02Å; G148-C193 PolarHBondContact O-SG 3.11Å
149D93.9Very high93.5Very high6 Ų654.6 Ų54.63%0.03227%0.274CS..SBendtrans-82.1-61.7177.717321.9000109.5L119 S120 I123 D154 G192 C193 R194L119-D149 HydrophobicContact CD2-CB 4.47Å; L119-D149 WeakPolarHBondContact CD2-OD1 3.27Å; L119-D149 HydrophobicContact CG-CB 4.23Å; S120-D149 WeakPolarHBondContact CB-OD2 3.5Å; I123-D149 HydrophobicContact CG1-CB 4.21Å; D149-D154 WeakPolarHBondContact CA-OD2 3.34Å; D149-D154 PolarHBondContact N-OD2 3.4Å; D149-G192 CarbonylContact O-C 3.04Å; D149-G192 WeakPolarHBondContact O-CA 3.49Å; D149-C193 PolarHBondContact O-N 2.86Å; D149-C193 VanDerWaalsContact O-N 3.16Å; D149-R194 WeakPolarHBondContact O-CB 3.13Å; D149-R194 PolarHBondContact O-N 3.32Å; D149-R194 WeakPolarHBondContact OD1-CB 3.47Å; D149-R194 IonicContact OD1-CZ 3.46Å; D149-R194 IonicContact OD1-NE 2.82Å; D149-R194 PolarHBondContact OD1-NE 3.34Å; D149-R194 IonicContact OD1-NH2 3.25Å; D149-R194 PolarHBondContact OD1-NH2 3.1Å; D149-R194 IonicContact OD2-CZ 3.57Å; D149-R194 IonicContact OD2-NE 3.67Å; D149-R194 IonicContact OD2-NH2 2.7Å; D149-R194 PolarHBondContact OD2-NH2 2.91Å
150Q94.1Very high93.4Very high110 Ų11056.2 Ų56.251%0.51429%0.289SS..SBendtrans-94.9-36.7175.7-61.4-170.1-17.400112.8D154 G192Q150-D154 PolarHBondContact N-OD2 2.76Å; Q150-G192 WeakPolarHBondContact O-CA 3.29Å; Q150-G192 PolarHBondContact O-N 2.83Å; Q150-G192 VanDerWaalsContact O-N 3.09Å
151N95.3Very high93.4Very high51 Ų5156.7 Ų56.727%0.27329%0.294SS..BIsolated β-bridgetrans-169.6-179.2175.458.155.8000111.6C147 G148 T153 D154 Q190C147-N151 CarbonylContact O-C 3.4Å; C147-N151 WeakPolarHBondContact O-CA 3.46Å; G148-N151 WeakPolarHBondContact CA-O 3.41Å; N151-T153 PolarHBondContact O-N 3.43Å; N151-T153 VanDerWaalsContact O-N 3.11Å; N151-T153 WeakPolarHBondContact OD1-CA 3.3Å; N151-T153 VanDerWaalsContact OD1-CB 3.25Å; N151-T153 WeakPolarHBondContact OD1-CB 3.23Å; N151-T153 PolarHBondContact OD1-N 3.41Å; N151-T153 PolarHBondContact OD1-OG1 2.86Å; N151-D154 PolarHBondContact N-OD2 2.94Å; N151-D154 VanDerWaalsContact N-OD2 3.09Å; N151-D154 WeakPolarHBondContact O-CB 3.39Å; N151-D154 PolarHBondContact O-N 3.47Å; N151-D154 VanDerWaalsContact O-OD2 3.05Å; N151-Q190 VanDerWaalsContact CB-O 3.3Å; N151-Q190 WeakPolarHBondContact CB-O 3.44Å
152S95.5Very high93.2Very high0 Ų057.9 Ų57.90%031%0.307CS..G310 helixtrans-56-26.8178.659.30000114.5C147 D154 W155 M182 Q190C147-S152 PolarHBondContact O-N 2.92Å; S152-D154 PolarHBondContact O-N 3.04Å; S152-W155 WeakPolarHBondContact O-CB 3.38Å; S152-W155 PolarHBondContact O-N 2.98Å; S152-M182 VanDerWaalsContact CB-O 3.3Å; S152-M182 WeakPolarHBondContact CB-O 3.33Å; S152-M182 WeakPolarHBondContact O-CG 3.35Å; S152-M182 PolarHBondContact OG-O 3.42Å; S152-Q190 PolarHBondContact OG-OE1 3.17Å
153T95.3Very high93.2Very high64 Ų6461.3 Ų61.339%0.39332%0.317SS..G310 helixtrans-72.7-12-177.975.50000114.1N151 W155 K156N151-T153 PolarHBondContact O-N 3.43Å; N151-T153 VanDerWaalsContact O-N 3.11Å; N151-T153 WeakPolarHBondContact OD1-CA 3.3Å; N151-T153 VanDerWaalsContact OD1-CB 3.25Å; N151-T153 WeakPolarHBondContact OD1-CB 3.23Å; N151-T153 PolarHBondContact OD1-N 3.41Å; N151-T153 PolarHBondContact OD1-OG1 2.86Å; T153-W155 PolarHBondContact O-N 3.47Å; T153-W155 VanDerWaalsContact O-N 3.13Å; T153-K156 WeakPolarHBondContact O-CB 3.22Å; T153-K156 PolarHBondContact O-N 3.34Å; T153-K156 VanDerWaalsContact O-N 3.08Å
154D94.9Very high93.3Very high52 Ų5257.2 Ų57.228%0.27829%0.292SS..G310 helixtrans-60.8-20.9171.4-63.9-35.6000111.9I123 D149 Q150 N151 S152 K156I123-D154 HydrophobicContact CG2-CB 4.12Å; D149-D154 WeakPolarHBondContact CA-OD2 3.34Å; D149-D154 PolarHBondContact N-OD2 3.4Å; Q150-D154 PolarHBondContact N-OD2 2.76Å; N151-D154 PolarHBondContact N-OD2 2.94Å; N151-D154 VanDerWaalsContact N-OD2 3.09Å; N151-D154 WeakPolarHBondContact O-CB 3.39Å; N151-D154 PolarHBondContact O-N 3.47Å; N151-D154 VanDerWaalsContact O-OD2 3.05Å; S152-D154 PolarHBondContact O-N 3.04Å; D154-K156 VanDerWaalsContact C-N 3.31Å; D154-K156 PolarHBondContact O-N 2.83Å
155W95.3Very high93.5Very high6 Ų656 Ų562%0.02329%0.286CS..G310 helixtrans-84.58.1176.7-65.9118.8000115.1I123 Y126 V137 Q141 C147 S152 T153 N157 Y158 V165 P166 C169I123-W155 HydrophobicContact CD1-CH2 3.97Å; I123-W155 HydrophobicContact CD1-CZ2 3.63Å; I123-W155 HydrophobicContact CG2-CD2 4.26Å; I123-W155 HydrophobicContact CG2-CE3 4.13Å; I123-W155 HydrophobicContact CG2-CH2 4.12Å; I123-W155 HydrophobicContact CG2-CZ2 4.23Å; I123-W155 HydrophobicContact CG2-CZ3 4.06Å; Y126-W155 AromaticContact CD1-CH2 3.65Å; Y126-W155 HydrophobicContact CD1-CH2 3.65Å; Y126-W155 AromaticContact CD1-CZ3 3.53Å; Y126-W155 HydrophobicContact CD1-CZ3 3.53Å; Y126-W155 AromaticContact CD2-CH2 3.78Å; Y126-W155 HydrophobicContact CD2-CH2 3.78Å; Y126-W155 HydrophobicContact CD2-CZ3 4.42Å; Y126-W155 HydrophobicContact CE1-CH2 4.22Å; Y126-W155 HydrophobicContact CE1-CZ3 4.31Å; Y126-W155 HydrophobicContact CE2-CH2 4.31Å; Y126-W155 AromaticContact CG-CH2 3.41Å; Y126-W155 HydrophobicContact CG-CH2 3.41Å; Y126-W155 VanDerWaalsContact CG-CH2 3.41Å; Y126-W155 AromaticContact CG-CZ3 3.61Å; Y126-W155 HydrophobicContact CG-CZ3 3.61Å; V137-W155 HydrophobicContact CG1-CH2 4.17Å; V137-W155 HydrophobicContact CG1-CZ2 4.12Å; Q141-W155 VanDerWaalsContact NE2-CZ2 3.27Å; C147-W155 PolarHBondContact SG-NE1 3.5Å; C147-W155 VanDerWaalsContact SG-NE1 3.36Å; S152-W155 WeakPolarHBondContact O-CB 3.38Å; S152-W155 PolarHBondContact O-N 2.98Å; T153-W155 PolarHBondContact O-N 3.47Å; T153-W155 VanDerWaalsContact O-N 3.13Å; W155-N157 PolarHBondContact O-N 3.34Å; W155-Y158 HydrophobicContact CE3-CD2 4.49Å; W155-Y158 HydrophobicContact CE3-CG 4.22Å; W155-Y158 WeakPolarHBondContact O-CB 3.35Å; W155-Y158 PolarHBondContact O-N 3.2Å; W155-V165 HydrophobicContact CB-CB 4.4Å; W155-V165 HydrophobicContact CB-CG1 3.91Å; W155-V165 HydrophobicContact CG-CB 4.31Å; W155-V165 HydrophobicContact CG-CG1 4.12Å; W155-P166 VanDerWaalsContact CD2-CD 3.46Å; W155-P166 HydrophobicContact CD2-CG 3.99Å; W155-P166 VanDerWaalsContact CE2-CD 3.42Å; W155-P166 HydrophobicContact CE3-CG 4.08Å; W155-P166 HydrophobicContact CH2-CG 3.64Å; W155-P166 HydrophobicContact CZ2-CG 3.53Å; W155-P166 HydrophobicContact CZ3-CG 3.92Å; W155-C169 PolarHBondContact NE1-SG 3.44Å
156K92.8Very high93.6Very high128 Ų12849.9 Ų49.956%0.55726%0.259SS*.THydrogen-bonded Turntrans-52.3-20.7179.666.8-176.9-178.2-174.40115.7T153 D154 G162T153-K156 WeakPolarHBondContact O-CB 3.22Å; T153-K156 PolarHBondContact O-N 3.34Å; T153-K156 VanDerWaalsContact O-N 3.08Å; D154-K156 VanDerWaalsContact C-N 3.31Å; D154-K156 PolarHBondContact O-N 2.83Å; K156-G162 WeakPolarHBondContact O-CA 3.39Å
157N90.7Very high93.6Very high126 Ų12652 Ų5267%0.67427%0.271SS*.THydrogen-bonded Turntrans-104.75.6179.5-63.1-31.9000113.2W155W155-N157 PolarHBondContact O-N 3.34Å
158Y89.9Confident93.5Very high72 Ų7252.4 Ų52.428%0.28227%0.273SS..THydrogen-bonded Turntrans-76.4-65.7-177.6176-119.4000111.4Y126 K127 W155 T164 P166Y126-Y158 HydrophobicContact CD1-CD2 4.01Å; Y126-Y158 AromaticContact CD1-CE2 3.84Å; Y126-Y158 HydrophobicContact CD1-CE2 3.84Å; Y126-Y158 HydrophobicContact CE1-CD2 4.14Å; Y126-Y158 AromaticContact CE1-CE2 3.53Å; Y126-Y158 HydrophobicContact CE1-CE2 3.53Å; K127-Y158 PolarHBondContact NZ-O 3.49Å; W155-Y158 HydrophobicContact CE3-CD2 4.49Å; W155-Y158 HydrophobicContact CE3-CG 4.22Å; W155-Y158 WeakPolarHBondContact O-CB 3.35Å; W155-Y158 PolarHBondContact O-N 3.2Å; Y158-T164 HydrophobicContact CD1-CG2 3.95Å; Y158-T164 WeakPolarHBondContact CD1-O 3.34Å; Y158-T164 HydrophobicContact CE1-CG2 3.92Å; Y158-P166 HydrophobicContact CD1-CG 4.24Å; Y158-P166 HydrophobicContact CE1-CB 4.47Å; Y158-P166 HydrophobicContact CE1-CG 3.99Å; Y158-P166 HydrophobicContact CE2-CG 4.36Å
159G86.9Confident93.6Very high17 Ų1752.4 Ų52.418%0.17527%0.273CS..SBendtrans-89.3154.4173.600000112.8D161 G162G159-D161 PolarHBondContact O-N 2.84Å; G159-G162 PolarHBondContact O-N 3.46Å; G159-G162 VanDerWaalsContact O-N 3.16Å
160D88.3Confident93.8Very high166 Ų16652.1 Ų52.189%0.88827%0.272SS*.THydrogen-bonded Turntrans-67.2-17.5-178.2-57.5-32.8000112.8K127K127-D160 IonicContact NZ-OD1 3.96Å
161D90.5Very high93.9Very high73 Ų7350.5 Ų50.539%0.3927%0.266SS..THydrogen-bonded Turntrans-84.1-8.3177.870.9-18.8000113.9G159 K163 T164G159-D161 PolarHBondContact O-N 2.84Å; D161-K163 PolarHBondContact O-N 2.86Å; D161-K163 PolarHBondContact OD1-N 3.46Å; D161-T164 WeakPolarHBondContact OD1-CB 3.34Å; D161-T164 PolarHBondContact OD1-N 3.14Å; D161-T164 PolarHBondContact OD1-OG1 2.88Å; D161-T164 PolarHBondContact OD2-OG1 3.3Å
162G91.3Very high93.9Very high26 Ų2654 Ų5427%0.26828%0.281SS..SBendtrans61.915.7-174.500000114.7K156 G159 M182K156-G162 WeakPolarHBondContact O-CA 3.39Å; G159-G162 PolarHBondContact O-N 3.46Å; G159-G162 VanDerWaalsContact O-N 3.16Å; G162-M182 VanDerWaalsContact O-CE 3.28Å; G162-M182 WeakPolarHBondContact O-CE 3.26Å
163K94.1Very high93.8Very high127 Ų12758.3 Ų58.355%0.55231%0.307SS*.  trans-131.9-1.3-176.2-63.8175.5-175.8176.50113.3D161 G180 T181 M182D161-K163 PolarHBondContact O-N 2.86Å; D161-K163 PolarHBondContact OD1-N 3.46Å; K163-G180 CarbonylContact O-C 3.6Å; K163-G180 WeakPolarHBondContact O-CA 3.45Å; K163-T181 PolarHBondContact O-N 3.47Å; K163-M182 WeakPolarHBondContact O-CB 3.28Å; K163-M182 PolarHBondContact O-N 3.43Å
164T95.3Very high93.8Very high20 Ų2061.2 Ų61.212%0.12331%0.314CS..  trans-91.2137.3178.5-62.30000111.3Y158 D161 G178 N179 G180Y158-T164 HydrophobicContact CD1-CG2 3.95Å; Y158-T164 WeakPolarHBondContact CD1-O 3.34Å; Y158-T164 HydrophobicContact CE1-CG2 3.92Å; D161-T164 WeakPolarHBondContact OD1-CB 3.34Å; D161-T164 PolarHBondContact OD1-N 3.14Å; D161-T164 PolarHBondContact OD1-OG1 2.88Å; D161-T164 PolarHBondContact OD2-OG1 3.3Å; T164-G178 VanDerWaalsContact CA-O 3.3Å; T164-G178 WeakPolarHBondContact CA-O 3.45Å; T164-N179 PolarHBondContact OG1-OD1 3.46Å; T164-G180 PolarHBondContact OG1-N 3.41Å
165V96.3Very high93.8Very high2 Ų267.2 Ų67.21%0.01235%0.345CS..  trans-114.9161.6170.4-58.90000109.7W155 C169 G178 M182 V188W155-V165 HydrophobicContact CB-CB 4.4Å; W155-V165 HydrophobicContact CB-CG1 3.91Å; W155-V165 HydrophobicContact CG-CB 4.31Å; W155-V165 HydrophobicContact CG-CG1 4.12Å; V165-C169 HydrophobicContact CB-CB 4.13Å; V165-C169 HydrophobicContact CG2-CB 3.81Å; V165-G178 PolarHBondContact N-O 2.79Å; V165-G178 WeakPolarHBondContact O-CA 3.44Å; V165-M182 HydrophobicContact CG1-CB 3.82Å; V165-M182 HydrophobicContact CG1-CG 3.92Å; V165-V188 HydrophobicContact CG2-CG1 4.06Å; V165-V188 HydrophobicContact CG2-CG2 3.74Å
166P96.3Very high93.7Very high1 Ų169 Ų691%0.00637%0.365CS..  trans-59.8147167.3-2536.8000111.8Y126 W155 Y158 S168 C169Y126-P166 HydrophobicContact CD1-CG 4.3Å; Y126-P166 HydrophobicContact CE1-CB 4.28Å; Y126-P166 HydrophobicContact CE1-CG 3.7Å; W155-P166 VanDerWaalsContact CD2-CD 3.46Å; W155-P166 HydrophobicContact CD2-CG 3.99Å; W155-P166 VanDerWaalsContact CE2-CD 3.42Å; W155-P166 HydrophobicContact CE3-CG 4.08Å; W155-P166 HydrophobicContact CH2-CG 3.64Å; W155-P166 HydrophobicContact CZ2-CG 3.53Å; W155-P166 HydrophobicContact CZ3-CG 3.92Å; Y158-P166 HydrophobicContact CD1-CG 4.24Å; Y158-P166 HydrophobicContact CE1-CB 4.47Å; Y158-P166 HydrophobicContact CE1-CG 3.99Å; Y158-P166 HydrophobicContact CE2-CG 4.36Å; P166-S168 WeakPolarHBondContact CB-OG 3.37Å; P166-S168 PolarHBondContact O-N 3.29Å; P166-S168 VanDerWaalsContact O-N 3.09Å; P166-C169 VanDerWaalsContact O-CB 3.3Å; P166-C169 WeakPolarHBondContact O-CB 3.5Å; P166-C169 PolarHBondContact O-N 2.74Å
167D96.4Very high93.8Very high46 Ų4664 Ų6425%0.24635%0.346CS..G310 helixtrans-62.3-20.5-179.4-70.5-25.5000113.1C169 C170 G176 C177 G178D167-C169 PolarHBondContact O-N 3.43Å; D167-C170 VanDerWaalsContact O-CB 3.3Å; D167-C170 WeakPolarHBondContact O-CB 3.45Å; D167-C170 PolarHBondContact O-N 3.28Å; D167-C170 VanDerWaalsContact O-N 3.08Å; D167-C170 PolarHBondContact O-SG 3.18Å; D167-C170 VanDerWaalsContact O-SG 3.42Å; D167-G176 VanDerWaalsContact CG-N 3.34Å; D167-G176 WeakPolarHBondContact OD1-CA 3.31Å; D167-G176 PolarHBondContact OD1-N 3.49Å; D167-G176 PolarHBondContact OD2-N 2.97Å; D167-C177 PolarHBondContact OD1-N 2.94Å; D167-C177 PolarHBondContact OD1-SG 3.47Å; D167-G178 PolarHBondContact OD1-N 2.92Å
168S96.3Very high94Very high7 Ų758 Ų585%0.04931%0.314CS..G310 helixtrans-64.9-18.3173.252.90000114.1D138 Q141 T142 P166 C170D138-S168 VanDerWaalsContact CA-CB 3.45Å; D138-S168 VanDerWaalsContact OD1-CB 3.22Å; D138-S168 WeakPolarHBondContact OD1-CB 3.47Å; D138-S168 PolarHBondContact OD1-OG 2.93Å; Q141-S168 PolarHBondContact OE1-OG 3.29Å; Q141-S168 VanDerWaalsContact OE1-OG 3.07Å; T142-S168 WeakPolarHBondContact CG2-O 3.25Å; P166-S168 WeakPolarHBondContact CB-OG 3.37Å; P166-S168 PolarHBondContact O-N 3.29Å; P166-S168 VanDerWaalsContact O-N 3.09Å; S168-C170 VanDerWaalsContact C-N 3.31Å
169C96.9Very high94.3Very high0 Ų060 Ų600%033%0.329CS..G310 helixtrans-78.9-11171.8-800000114Q141 C147 W155 V165 P166 D167 V188 Y189Q141-C169 PolarHBondContact OE1-SG 3.31Å; C147-C169 WeakPolarHBondContact CA-SG 3.36Å; C147-C169 HydrophobicContact CB-CB 3.64Å; C147-C169 WeakPolarHBondContact CB-SG 3.35Å; C147-C169 WeakPolarHBondContact SG-CB 3.39Å; C147-C169 CovalentContact SG-SG 2.03Å; C147-C169 PolarHBondContact SG-SG 2.93Å; W155-C169 PolarHBondContact NE1-SG 3.44Å; V165-C169 HydrophobicContact CB-CB 4.13Å; V165-C169 HydrophobicContact CG2-CB 3.81Å; P166-C169 VanDerWaalsContact O-CB 3.3Å; P166-C169 WeakPolarHBondContact O-CB 3.5Å; P166-C169 PolarHBondContact O-N 2.74Å; D167-C169 PolarHBondContact O-N 3.43Å; C169-V188 HydrophobicContact CB-CG1 4.04Å; C169-Y189 WeakPolarHBondContact O-CD2 3.4Å; C169-Y189 PolarHBondContact O-N 3.35Å
170C97.4Very high94.7Very high1 Ų161 Ų611%0.00734%0.34CS..BIsolated β-bridgetrans-76.5146.3-176.7-59.30000112D167 S168 E172 C177 G178 I187 Y189D167-C170 VanDerWaalsContact O-CB 3.3Å; D167-C170 WeakPolarHBondContact O-CB 3.45Å; D167-C170 PolarHBondContact O-N 3.28Å; D167-C170 VanDerWaalsContact O-N 3.08Å; D167-C170 PolarHBondContact O-SG 3.18Å; D167-C170 VanDerWaalsContact O-SG 3.42Å; S168-C170 VanDerWaalsContact C-N 3.31Å; C170-E172 WeakPolarHBondContact CB-O 3.47Å; C170-C177 HydrophobicContact CB-CB 3.94Å; C170-C177 WeakPolarHBondContact CB-SG 3.46Å; C170-C177 WeakPolarHBondContact SG-CB 3.46Å; C170-C177 CovalentContact SG-SG 2.02Å; C170-C177 PolarHBondContact SG-SG 2.92Å; C170-G178 PolarHBondContact SG-N 3.3Å; C170-I187 CarbonylContact C-O 3.54Å; C170-I187 VanDerWaalsContact CA-O 3.27Å; C170-I187 WeakPolarHBondContact CA-O 3.46Å; C170-Y189 WeakPolarHBondContact O-CE2 3.28Å
171I96.1Very high95Very high76 Ų7654 Ų5439%0.3930%0.304SS..SBendtrans-63.6-46.4174.4-62.7172.6000109.8I187 Y189I171-I187 PolarHBondContact N-O 3.46Å; I171-Y189 HydrophobicContact CG1-CD1 4.01Å; I171-Y189 HydrophobicContact CG1-CE1 3.8Å; I171-Y189 HydrophobicContact CG1-CE2 4.42Å; I171-Y189 HydrophobicContact CG1-CG 4.41Å
172E95.1Very high95.2Very high124 Ų12451.5 Ų51.558%0.57929%0.29SS*.SBendtrans-108.1108.6167-68.3-173.2179.900109C170 K174C170-E172 WeakPolarHBondContact CB-O 3.47Å; E172-K174 PolarHBondContact O-N 3.24Å; E172-K174 VanDerWaalsContact O-N 3.11Å; E172-K174 VanDerWaalsContact OE2-CE 3.27Å; E172-K174 WeakPolarHBondContact OE2-CE 3.49Å; E172-K174 IonicContact OE2-NZ 2.68Å; E172-K174 PolarHBondContact OE2-NZ 3.34Å
173V93.9Very high95.3Very high91 Ų9155.5 Ų55.555%0.55231%0.309SS*.  trans-69.6109.5-179.5-175.60000109.3T142T142-V173 HydrophobicContact CG2-CG2 3.83Å
174K94.5Very high95.4Very high124 Ų12452.3 Ų52.354%0.53930%0.298SS..  trans-135.3149.1175.3-65.6176.1-172.5161.10108.2E172 G176 C177E172-K174 PolarHBondContact O-N 3.24Å; E172-K174 VanDerWaalsContact O-N 3.11Å; E172-K174 VanDerWaalsContact OE2-CE 3.27Å; E172-K174 WeakPolarHBondContact OE2-CE 3.49Å; E172-K174 IonicContact OE2-NZ 2.68Å; E172-K174 PolarHBondContact OE2-NZ 3.34Å; K174-G176 PolarHBondContact O-N 3.03Å; K174-G176 VanDerWaalsContact O-N 3.14Å; K174-C177 HydrophobicContact CB-CB 4.32Å; K174-C177 WeakPolarHBondContact O-CB 3.31Å; K174-C177 PolarHBondContact O-N 3.28Å; K174-C177 VanDerWaalsContact O-N 3.11Å; K174-C177 PolarHBondContact O-SG 3.44Å
175L94.6Very high95.4Very high178 Ų17855.2 Ų55.293%0.93232%0.319SS*.THydrogen-bonded Turntrans-57.2120.9178.2-174.269.2000110.5
176G93.9Very high95.3Very high43 Ų4360.4 Ų60.444%0.44335%0.351SS..THydrogen-bonded Turntrans78.411.4178.100000115.8D167 K174 G178 N179D167-G176 VanDerWaalsContact CG-N 3.34Å; D167-G176 WeakPolarHBondContact OD1-CA 3.31Å; D167-G176 PolarHBondContact OD1-N 3.49Å; D167-G176 PolarHBondContact OD2-N 2.97Å; K174-G176 PolarHBondContact O-N 3.03Å; K174-G176 VanDerWaalsContact O-N 3.14Å; G176-G178 PolarHBondContact O-N 2.89Å; G176-N179 WeakPolarHBondContact O-CB 3.4Å; G176-N179 PolarHBondContact O-N 3.09Å
177C95.8Very high95.3Very high23 Ų2363.1 Ų63.116%0.15537%0.365CS..THydrogen-bonded Turntrans-63.1-26.8177.663.20000113D167 C170 K174 N179 T181D167-C177 PolarHBondContact OD1-N 2.94Å; D167-C177 PolarHBondContact OD1-SG 3.47Å; C170-C177 HydrophobicContact CB-CB 3.94Å; C170-C177 WeakPolarHBondContact CB-SG 3.46Å; C170-C177 WeakPolarHBondContact SG-CB 3.46Å; C170-C177 CovalentContact SG-SG 2.02Å; C170-C177 PolarHBondContact SG-SG 2.92Å; K174-C177 HydrophobicContact CB-CB 4.32Å; K174-C177 WeakPolarHBondContact O-CB 3.31Å; K174-C177 PolarHBondContact O-N 3.28Å; K174-C177 VanDerWaalsContact O-N 3.11Å; K174-C177 PolarHBondContact O-SG 3.44Å; C177-N179 VanDerWaalsContact C-N 3.29Å; C177-N179 PolarHBondContact O-N 3.44Å; C177-T181 WeakPolarHBondContact O-CG2 3.09Å; C177-T181 PolarHBondContact O-OG1 2.74Å
178G94.9Very high95.3Very high0 Ų061 Ų610%035%0.353CS..THydrogen-bonded Turntrans-77.5-8.9-179.300000114.8T164 V165 D167 C170 G176 G180 T181T164-G178 VanDerWaalsContact CA-O 3.3Å; T164-G178 WeakPolarHBondContact CA-O 3.45Å; V165-G178 PolarHBondContact N-O 2.79Å; V165-G178 WeakPolarHBondContact O-CA 3.44Å; D167-G178 PolarHBondContact OD1-N 2.92Å; C170-G178 PolarHBondContact SG-N 3.3Å; G176-G178 PolarHBondContact O-N 2.89Å; G178-G180 PolarHBondContact O-N 3.49Å; G178-T181 VanDerWaalsContact C-OG1 3.23Å; G178-T181 WeakPolarHBondContact CA-OG1 3.28Å; G178-T181 PolarHBondContact O-N 3.27Å; G178-T181 PolarHBondContact O-OG1 2.94Å
179N95.9Very high95.3Very high114 Ų11462.9 Ų62.961%0.6136%0.36SS*.THydrogen-bonded Turntrans-71.4111-171.7-16823.7000112.2T164 G176 C177 T181T164-N179 PolarHBondContact OG1-OD1 3.46Å; G176-N179 WeakPolarHBondContact O-CB 3.4Å; G176-N179 PolarHBondContact O-N 3.09Å; C177-N179 VanDerWaalsContact C-N 3.29Å; C177-N179 PolarHBondContact O-N 3.44Å; N179-T181 PolarHBondContact O-N 2.87Å
180G94.1Very high95.3Very high38 Ų3865.8 Ų65.839%0.39237%0.373SS..THydrogen-bonded Turntrans67.312.1-178.800000116K163 T164 G178K163-G180 CarbonylContact O-C 3.6Å; K163-G180 WeakPolarHBondContact O-CA 3.45Å; T164-G180 PolarHBondContact OG1-N 3.41Å; G178-G180 PolarHBondContact O-N 3.49Å
181T95.3Very high95.2Very high21 Ų2170.4 Ų70.413%0.12940%0.395CS..  trans-106.77.7-171.956.90000114.6K163 C177 G178 N179 T183 N184 I187 V188K163-T181 PolarHBondContact O-N 3.47Å; C177-T181 WeakPolarHBondContact O-CG2 3.09Å; C177-T181 PolarHBondContact O-OG1 2.74Å; G178-T181 VanDerWaalsContact C-OG1 3.23Å; G178-T181 WeakPolarHBondContact CA-OG1 3.28Å; G178-T181 PolarHBondContact O-N 3.27Å; G178-T181 PolarHBondContact O-OG1 2.94Å; N179-T181 PolarHBondContact O-N 2.87Å; T181-T183 VanDerWaalsContact C-N 3.29Å; T181-T183 PolarHBondContact O-N 2.93Å; T181-N184 WeakPolarHBondContact O-CB 3.3Å; T181-N184 PolarHBondContact O-N 2.86Å; T181-I187 HydrophobicContact CG2-CD1 3.81Å; T181-I187 HydrophobicContact CG2-CG2 4.22Å; T181-V188 WeakPolarHBondContact OG1-CG2 3.36Å
182M94.6Very high95.1Very high20 Ų2066.9 Ų66.910%0.09938%0.377CS..THydrogen-bonded Turntrans-44.8-45.4-174177.6177.673.500115.1S152 G162 K163 V165 Q190S152-M182 VanDerWaalsContact CB-O 3.3Å; S152-M182 WeakPolarHBondContact CB-O 3.33Å; S152-M182 WeakPolarHBondContact O-CG 3.35Å; S152-M182 PolarHBondContact OG-O 3.42Å; G162-M182 VanDerWaalsContact O-CE 3.28Å; G162-M182 WeakPolarHBondContact O-CE 3.26Å; K163-M182 WeakPolarHBondContact O-CB 3.28Å; K163-M182 PolarHBondContact O-N 3.43Å; V165-M182 HydrophobicContact CG1-CB 3.82Å; V165-M182 HydrophobicContact CG1-CG 3.92Å; M182-Q190 PolarHBondContact O-NE2 3.47Å; M182-Q190 PolarHBondContact O-OE1 2.82Å
183T94.6Very high95.1Very high109 Ų10961 Ų6167%0.66935%0.35SS*.THydrogen-bonded Turntrans-91.4-0.1-177.858.60000113.9T181 S185T181-T183 VanDerWaalsContact C-N 3.29Å; T181-T183 PolarHBondContact O-N 2.93Å; T183-S185 PolarHBondContact O-N 3.41Å
184N95.6Very high95Very high61 Ų6158.3 Ų58.333%0.32633%0.329SS..  trans-86.6102.3-177.6-169.1-15.6000111T181 T186 I187 V188T181-N184 WeakPolarHBondContact O-CB 3.3Å; T181-N184 PolarHBondContact O-N 2.86Å; N184-T186 PolarHBondContact O-N 3.33Å; N184-T186 PolarHBondContact OD1-N 2.88Å; N184-T186 VanDerWaalsContact OD1-N 3.12Å; N184-T186 PolarHBondContact OD1-OG1 3.45Å; N184-I187 VanDerWaalsContact ND2-CD1 3.34Å; N184-I187 WeakPolarHBondContact ND2-CD1 3.12Å; N184-I187 PolarHBondContact O-N 3.26Å; N184-V188 PolarHBondContact O-N 3.02Å
185S94.5Very high94.8Very high81 Ų8156.8 Ų56.857%0.56633%0.327SS*.THydrogen-bonded Turntrans-68.8-12.7-17858.80000115.2T183T183-S185 PolarHBondContact O-N 3.41Å
186T95.7Very high94.5Very high110 Ų11049.6 Ų49.668%0.67529%0.289SS*.THydrogen-bonded Turntrans-87.6-15.2175.364.10000113N184N184-T186 PolarHBondContact O-N 3.33Å; N184-T186 PolarHBondContact OD1-N 2.88Å; N184-T186 VanDerWaalsContact OD1-N 3.12Å; N184-T186 PolarHBondContact OD1-OG1 3.45Å
187I95.3Very high94.2Very high59 Ų5949.5 Ų49.530%0.30328%0.278SS..THydrogen-bonded Turntrans-111.3-39.4-178.8-56.8178.8000110.8C170 I171 T181 N184C170-I187 CarbonylContact C-O 3.54Å; C170-I187 VanDerWaalsContact CA-O 3.27Å; C170-I187 WeakPolarHBondContact CA-O 3.46Å; I171-I187 PolarHBondContact N-O 3.46Å; T181-I187 HydrophobicContact CG2-CD1 3.81Å; T181-I187 HydrophobicContact CG2-CG2 4.22Å; N184-I187 VanDerWaalsContact ND2-CD1 3.34Å; N184-I187 WeakPolarHBondContact ND2-CD1 3.12Å; N184-I187 PolarHBondContact O-N 3.26Å
188V96.9Very high93.7Very high1 Ų150 Ų501%0.00628%0.28CS..BIsolated β-bridgetrans-121.9137.2-170.6170.50000110.9C147 V165 C169 T181 N184 Q190C147-V188 HydrophobicContact CB-CG1 4.34Å; V165-V188 HydrophobicContact CG2-CG1 4.06Å; V165-V188 HydrophobicContact CG2-CG2 3.74Å; C169-V188 HydrophobicContact CB-CG1 4.04Å; T181-V188 WeakPolarHBondContact OG1-CG2 3.36Å; N184-V188 PolarHBondContact O-N 3.02Å; V188-Q190 PolarHBondContact O-N 2.95Å; V188-Q190 PolarHBondContact O-NE2 2.94Å; V188-Q190 VanDerWaalsContact O-NE2 3.15Å
189Y96.6Very high93.3Very high46 Ų4657.2 Ų57.218%0.1831%0.311CS..  trans-60.1125.4170.7-64.2-66.3000110.3K145 C147 C169 C170 I171K145-Y189 HydrophobicContact CB-CD1 4.21Å; K145-Y189 HydrophobicContact CB-CE1 3.66Å; K145-Y189 HydrophobicContact CB-CE2 4.06Å; K145-Y189 HydrophobicContact CG-CE1 4.34Å; K145-Y189 HydrophobicContact CG-CE2 4.45Å; K145-Y189 WeakPolarHBondContact O-CD1 3.38Å; C147-Y189 WeakPolarHBondContact CB-O 3.31Å; C169-Y189 WeakPolarHBondContact O-CD2 3.4Å; C169-Y189 PolarHBondContact O-N 3.35Å; C170-Y189 WeakPolarHBondContact O-CE2 3.28Å; I171-Y189 HydrophobicContact CG1-CD1 4.01Å; I171-Y189 HydrophobicContact CG1-CE1 3.8Å; I171-Y189 HydrophobicContact CG1-CE2 4.42Å; I171-Y189 HydrophobicContact CG1-CG 4.41Å
190Q95.8Very high92.6Very high62 Ų6255.6 Ų55.629%0.2930%0.301SS..  trans-91.9-16.7179.1-61.6-57.7-49.800113N151 S152 M182 V188N151-Q190 VanDerWaalsContact CB-O 3.3Å; N151-Q190 WeakPolarHBondContact CB-O 3.44Å; S152-Q190 PolarHBondContact OG-OE1 3.17Å; M182-Q190 PolarHBondContact O-NE2 3.47Å; M182-Q190 PolarHBondContact O-OE1 2.82Å; V188-Q190 PolarHBondContact O-N 2.95Å; V188-Q190 PolarHBondContact O-NE2 2.94Å; V188-Q190 VanDerWaalsContact O-NE2 3.15Å
191Q95.2Very high92Very high98 Ų9857.9 Ų57.946%0.45830%0.304SS..BIsolated β-bridgetrans-80131.9-179-172171.21.600110.9C146 C147 I196C146-Q191 CarbonylContact C-O 3.34Å; C146-Q191 VanDerWaalsContact CA-O 3.32Å; C146-Q191 WeakPolarHBondContact CA-O 3.43Å; C146-Q191 VanDerWaalsContact CB-O 3.3Å; C146-Q191 WeakPolarHBondContact CB-O 3.32Å; C147-Q191 PolarHBondContact N-O 3.29Å; Q191-I196 HydrophobicContact CG-CD1 4.24Å; Q191-I196 HydrophobicContact CG-CG1 4.04Å
192G94.4Very high91.4Very high1 Ų164.7 Ų64.71%0.0133%0.332CS..  trans-68148.8174.700000113.8C147 D149 Q150 R194C147-G192 WeakPolarHBondContact O-CA 3.47Å; D149-G192 CarbonylContact O-C 3.04Å; D149-G192 WeakPolarHBondContact O-CA 3.49Å; Q150-G192 WeakPolarHBondContact O-CA 3.29Å; Q150-G192 PolarHBondContact O-N 2.83Å; Q150-G192 VanDerWaalsContact O-N 3.09Å; G192-R194 VanDerWaalsContact C-N 3.27Å; G192-R194 PolarHBondContact O-N 3.34Å
193C94.1Very high90.8Very high1 Ų171 Ų711%0.00736%0.359CS..Hα-helixtrans-69-26.1179.5-62.50000113.1L119 F140 C146 G148 D149 I196 M197L119-C193 HydrophobicContact CD2-CB 4.09Å; F140-C193 HydrophobicContact CD1-CB 4.21Å; F140-C193 HydrophobicContact CE1-CB 3.75Å; C146-C193 HydrophobicContact CB-CB 3.85Å; C146-C193 WeakPolarHBondContact CB-SG 3.36Å; C146-C193 WeakPolarHBondContact SG-CA 3.38Å; C146-C193 WeakPolarHBondContact SG-CB 3.44Å; C146-C193 CovalentContact SG-SG 2.03Å; C146-C193 PolarHBondContact SG-SG 3.27Å; G148-C193 VanDerWaalsContact O-CB 3.3Å; G148-C193 WeakPolarHBondContact O-CB 3.32Å; G148-C193 PolarHBondContact O-N 3.02Å; G148-C193 PolarHBondContact O-SG 3.11Å; D149-C193 PolarHBondContact O-N 2.86Å; D149-C193 VanDerWaalsContact O-N 3.16Å; C193-I196 PolarHBondContact O-N 3.5Å; C193-M197 WeakPolarHBondContact O-CB 3.42Å; C193-M197 PolarHBondContact O-N 3.48Å
194R91.9Very high90.1Very high34 Ų3469.1 Ų69.113%0.12835%0.345CS..Hα-helixtrans-59.6-50177.5-176-171.1-69.2-138.4-3.2111.8E116 L119 D149 G192 I196 M197 V198E116-R194 VanDerWaalsContact CB-NH1 3.28Å; E116-R194 HydrophobicContact CG-CG 4.48Å; E116-R194 PolarHBondContact O-NH2 2.95Å; E116-R194 IonicContact OE1-NH1 3.75Å; E116-R194 IonicContact OE2-NH1 3.17Å; E116-R194 PolarHBondContact OE2-NH1 3.48Å; E116-R194 VanDerWaalsContact OE2-NH1 3.17Å; L119-R194 HydrophobicContact CD2-CB 3.81Å; D149-R194 WeakPolarHBondContact O-CB 3.13Å; D149-R194 PolarHBondContact O-N 3.32Å; D149-R194 WeakPolarHBondContact OD1-CB 3.47Å; D149-R194 IonicContact OD1-CZ 3.46Å; D149-R194 IonicContact OD1-NE 2.82Å; D149-R194 PolarHBondContact OD1-NE 3.34Å; D149-R194 IonicContact OD1-NH2 3.25Å; D149-R194 PolarHBondContact OD1-NH2 3.1Å; D149-R194 IonicContact OD2-CZ 3.57Å; D149-R194 IonicContact OD2-NE 3.67Å; D149-R194 IonicContact OD2-NH2 2.7Å; D149-R194 PolarHBondContact OD2-NH2 2.91Å; G192-R194 VanDerWaalsContact C-N 3.27Å; G192-R194 PolarHBondContact O-N 3.34Å; R194-I196 VanDerWaalsContact C-N 3.32Å; R194-I196 PolarHBondContact O-N 3.23Å; R194-M197 PolarHBondContact O-N 3.33Å; R194-V198 HydrophobicContact CG-CG2 4.45Å; R194-V198 WeakPolarHBondContact O-CG2 3.46Å; R194-V198 PolarHBondContact O-N 3.2Å
195D90.4Very high89.4Confident93 Ų9367.9 Ų67.950%0.49734%0.343SS..Hα-helixtrans-66.1-39.4-175.7-74.8-16.9000111.3K199D195-K199 WeakPolarHBondContact O-CB 3.48Å; D195-K199 PolarHBondContact O-N 3.41Å
196I89.9Confident88.9Confident26 Ų2670.1 Ų70.113%0.13335%0.345CS..Hα-helixtrans-63-47.8174-59.4-168.3000109.9L144 C146 Q191 C193 R194 V198 K199 M200L144-I196 HydrophobicContact CB-CG2 4.36Å; L144-I196 VanDerWaalsContact O-CD1 3.27Å; L144-I196 WeakPolarHBondContact O-CD1 3.45Å; C146-I196 HydrophobicContact CB-CD1 3.74Å; C146-I196 HydrophobicContact CB-CG1 4.49Å; Q191-I196 HydrophobicContact CG-CD1 4.24Å; Q191-I196 HydrophobicContact CG-CG1 4.04Å; C193-I196 PolarHBondContact O-N 3.5Å; R194-I196 VanDerWaalsContact C-N 3.32Å; R194-I196 PolarHBondContact O-N 3.23Å; I196-V198 PolarHBondContact O-N 2.9Å; I196-K199 PolarHBondContact O-N 3.34Å; I196-M200 HydrophobicContact CG2-CG 4.23Å; I196-M200 HydrophobicContact CG2-SD 3.91Å; I196-M200 WeakPolarHBondContact O-CB 3.45Å; I196-M200 VanDerWaalsContact O-CG 3.31Å; I196-M200 WeakPolarHBondContact O-CG 3.32Å; I196-M200 PolarHBondContact O-N 3.36Å
197M86.7Confident88.5Confident42 Ų4273.2 Ų73.221%0.20734%0.344CS..Hα-helixtrans-61-45.5179.7-165.5-161.9-64.800111.7I115 L119 F140 C193 R194 K199 M200 L201I115-M197 HydrophobicContact CG2-CE 4.26Å; I115-M197 HydrophobicContact CG2-SD 3.34Å; I115-M197 WeakPolarHBondContact CG2-SD 3.28Å; L119-M197 HydrophobicContact CD2-CE 4.32Å; F140-M197 HydrophobicContact CE1-CE 3.8Å; F140-M197 HydrophobicContact CE2-CE 4.2Å; F140-M197 HydrophobicContact CZ-CE 3.25Å; C193-M197 WeakPolarHBondContact O-CB 3.42Å; C193-M197 PolarHBondContact O-N 3.48Å; R194-M197 PolarHBondContact O-N 3.33Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 2.7Å; M197-M200 PolarHBondContact O-N 3.1Å; M197-L201 HydrophobicContact CG-CD1 4.4Å; M197-L201 WeakPolarHBondContact O-CB 3.32Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.42Å; M197-L201 PolarHBondContact O-N 3.34Å
198V85.4Confident88.1Confident33 Ų3376.2 Ų76.220%0.236%0.36CS..Hα-helixtrans-64.3-39177.1172.60000111.2R194 I196 L201 K202R194-V198 HydrophobicContact CG-CG2 4.45Å; R194-V198 WeakPolarHBondContact O-CG2 3.46Å; R194-V198 PolarHBondContact O-N 3.2Å; I196-V198 PolarHBondContact O-N 2.9Å; V198-L201 PolarHBondContact O-N 3Å; V198-K202 WeakPolarHBondContact O-CG 3.34Å; V198-K202 PolarHBondContact O-N 3.05Å
199K86.6Confident87.6Confident151 Ų15181.2 Ų81.266%0.65739%0.385SS*.Hα-helixtrans-67.4-42.1176.9-172.9177.1-178179.20111.7D195 I196 M197 K202 K203D195-K199 WeakPolarHBondContact O-CB 3.48Å; D195-K199 PolarHBondContact O-N 3.41Å; I196-K199 PolarHBondContact O-N 3.34Å; M197-K199 VanDerWaalsContact C-N 3.33Å; M197-K199 PolarHBondContact O-N 2.7Å; K199-K202 PolarHBondContact O-N 3.21Å; K199-K203 WeakPolarHBondContact O-CB 3.27Å; K199-K203 PolarHBondContact O-N 3.02Å
200M82.1Confident87.3Confident80 Ų8082.2 Ų82.239%0.39439%0.393SS..Hα-helixtrans-61.7-48.6173.7-73.9-179.271.400110.6L144 I196 M197 K202 K203 D204L144-M200 HydrophobicContact CD2-CE 4.13Å; L144-M200 HydrophobicContact CD2-SD 3.53Å; L144-M200 VanDerWaalsContact CD2-SD 3.53Å; I196-M200 HydrophobicContact CG2-CG 4.23Å; I196-M200 HydrophobicContact CG2-SD 3.91Å; I196-M200 WeakPolarHBondContact O-CB 3.45Å; I196-M200 VanDerWaalsContact O-CG 3.31Å; I196-M200 WeakPolarHBondContact O-CG 3.32Å; I196-M200 PolarHBondContact O-N 3.36Å; M197-M200 PolarHBondContact O-N 3.1Å; M200-K202 VanDerWaalsContact C-N 3.3Å; M200-K202 PolarHBondContact O-N 2.91Å; M200-K203 PolarHBondContact O-N 3.39Å; M200-K203 VanDerWaalsContact O-N 3.12Å; M200-D204 VanDerWaalsContact O-CB 3.32Å; M200-D204 WeakPolarHBondContact O-CB 3.42Å; M200-D204 PolarHBondContact O-N 2.88Å
201L81.4Confident87.1Confident87 Ų8781.6 Ų81.646%0.45540%0.398SS..Hα-helixtrans-55.4-44.8176-75.3170.7000111.9I115 M197 V198 A205I115-L201 HydrophobicContact CD1-CD1 3.74Å; M197-L201 HydrophobicContact CG-CD1 4.4Å; M197-L201 WeakPolarHBondContact O-CB 3.32Å; M197-L201 VanDerWaalsContact O-CG 3.27Å; M197-L201 WeakPolarHBondContact O-CG 3.42Å; M197-L201 PolarHBondContact O-N 3.34Å; V198-L201 PolarHBondContact O-N 3Å; L201-A205 WeakPolarHBondContact O-CA 3.26Å; L201-A205 WeakPolarHBondContact O-CB 3.1Å; L201-A205 PolarHBondContact O-N 3.14Å
202K81.6Confident86.9Confident163 Ų16379.4 Ų79.471%0.70940%0.397SS*.Hα-helixtrans-66.9-39.9177.6-74.4-179.1179.1-176.70113.2V198 K199 M200V198-K202 WeakPolarHBondContact O-CG 3.34Å; V198-K202 PolarHBondContact O-N 3.05Å; K199-K202 PolarHBondContact O-N 3.21Å; M200-K202 VanDerWaalsContact C-N 3.3Å; M200-K202 PolarHBondContact O-N 2.91Å
203K81.4Confident86.8Confident154 Ų15484.2 Ų84.267%0.6742%0.421SS*.Hα-helixtrans-71.5-44.8-179-174.2-179.8176.4-1770111.5K199 M200K199-K203 WeakPolarHBondContact O-CB 3.27Å; K199-K203 PolarHBondContact O-N 3.02Å; M200-K203 PolarHBondContact O-N 3.39Å; M200-K203 VanDerWaalsContact O-N 3.12Å
204D80.4Confident86.7Confident68 Ų6888.6 Ų88.636%0.36444%0.444SS..Hα-helixtrans-82.2-22.2-176.5-60.8-22.7000111.7M200 Q206 W207 L208M200-D204 VanDerWaalsContact O-CB 3.32Å; M200-D204 WeakPolarHBondContact O-CB 3.42Å; M200-D204 PolarHBondContact O-N 2.88Å; D204-Q206 PolarHBondContact O-N 2.94Å; D204-Q206 VanDerWaalsContact O-N 3.15Å; D204-W207 PolarHBondContact O-N 2.99Å; D204-L208 WeakPolarHBondContact O-CG 2.9Å; D204-L208 PolarHBondContact O-N 2.85Å
205A81.8Confident86.8Confident35 Ų3589.9 Ų89.929%0.28946%0.456SS..Hα-helixtrans-53.6-34.6170.900000112.1L201 L208 I209L201-A205 WeakPolarHBondContact O-CA 3.26Å; L201-A205 WeakPolarHBondContact O-CB 3.1Å; L201-A205 PolarHBondContact O-N 3.14Å; A205-L208 PolarHBondContact O-N 2.92Å; A205-I209 WeakPolarHBondContact O-CB 3.27Å; A205-I209 WeakPolarHBondContact O-CD1 3.19Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 2.95Å
206Q83.2Confident86.9Confident129 Ų12987.2 Ų87.260%0.60345%0.446SS*.Hα-helixtrans-62.2-45.3176.5-172.7179.7-49.800111.7D204 L208 I209 I210D204-Q206 PolarHBondContact O-N 2.94Å; D204-Q206 VanDerWaalsContact O-N 3.15Å; Q206-L208 VanDerWaalsContact C-N 3.35Å; Q206-I209 PolarHBondContact O-N 3.39Å; Q206-I210 HydrophobicContact CG-CD1 4.15Å; Q206-I210 VanDerWaalsContact O-CG1 3.28Å; Q206-I210 WeakPolarHBondContact O-CG1 3.46Å; Q206-I210 PolarHBondContact O-N 3.28Å
207W87.5Confident87.1Confident175 Ų17589.6 Ų89.666%0.66346%0.462SS*.Hα-helixtrans-65.9-38.8177.3-75.5109000112.1D204 I210 A211D204-W207 PolarHBondContact O-N 2.99Å; W207-I210 HydrophobicContact CE3-CD1 4.49Å; W207-I210 PolarHBondContact O-N 3.11Å; W207-A211 WeakPolarHBondContact O-CB 3.07Å; W207-A211 PolarHBondContact O-N 3.48Å
208L86.4Confident87.4Confident122 Ų12291.9 Ų91.964%0.63948%0.475SS*.Hα-helixtrans-62.9-42.5174.9-66.4176.1000112D204 A205 Q206 A211 A212D204-L208 WeakPolarHBondContact O-CG 2.9Å; D204-L208 PolarHBondContact O-N 2.85Å; A205-L208 PolarHBondContact O-N 2.92Å; Q206-L208 VanDerWaalsContact C-N 3.35Å; L208-A211 PolarHBondContact O-N 3.39Å; L208-A212 WeakPolarHBondContact O-CB 3.49Å; L208-A212 PolarHBondContact O-N 3.26Å
209I87.7Confident87.9Confident105 Ų10591.2 Ų91.254%0.53847%0.469SS..Hα-helixtrans-63.4-45176.7-69.6162.8000110.4A205 Q206 A211 A212 I213A205-I209 WeakPolarHBondContact O-CB 3.27Å; A205-I209 WeakPolarHBondContact O-CD1 3.19Å; A205-I209 WeakPolarHBondContact O-CG1 3.42Å; A205-I209 PolarHBondContact O-N 2.95Å; Q206-I209 PolarHBondContact O-N 3.39Å; I209-A211 VanDerWaalsContact C-N 3.35Å; I209-A211 PolarHBondContact O-N 3.35Å; I209-A212 PolarHBondContact O-N 3.05Å; I209-I213 HydrophobicContact CG2-CD1 3.96Å; I209-I213 WeakPolarHBondContact O-CG1 3.18Å; I209-I213 PolarHBondContact O-N 3.43Å
210I90.1Very high88.3Confident68 Ų6888.7 Ų88.735%0.34946%0.462SS..Hα-helixtrans-60-46.9176.8-68.4165.5000110.4Q206 W207 A212 I213 I214Q206-I210 HydrophobicContact CG-CD1 4.15Å; Q206-I210 VanDerWaalsContact O-CG1 3.28Å; Q206-I210 WeakPolarHBondContact O-CG1 3.46Å; Q206-I210 PolarHBondContact O-N 3.28Å; W207-I210 HydrophobicContact CE3-CD1 4.49Å; W207-I210 PolarHBondContact O-N 3.11Å; I210-A212 VanDerWaalsContact C-N 3.35Å; I210-A212 PolarHBondContact O-N 3.46Å; I210-I213 PolarHBondContact O-N 2.98Å; I210-I214 HydrophobicContact CG2-CD1 4.01Å; I210-I214 WeakPolarHBondContact O-CG1 3.49Å; I210-I214 PolarHBondContact O-N 3.48Å; I210-I214 VanDerWaalsContact O-N 3.09Å
211A90.9Very high88.9Confident48 Ų4888.5 Ų88.540%0.39746%0.463SS..Hα-helixtrans-60.3-43.6177.500000112W207 L208 I209 I213 I214 V215W207-A211 WeakPolarHBondContact O-CB 3.07Å; W207-A211 PolarHBondContact O-N 3.48Å; L208-A211 PolarHBondContact O-N 3.39Å; I209-A211 VanDerWaalsContact C-N 3.35Å; I209-A211 PolarHBondContact O-N 3.35Å; A211-I213 PolarHBondContact O-N 2.7Å; A211-I214 PolarHBondContact O-N 2.9Å; A211-V215 WeakPolarHBondContact O-CG2 3.1Å; A211-V215 PolarHBondContact O-N 3.02Å
212A90.6Very high89.5Confident52 Ų5285 Ų8543%0.4345%0.447SS..Hα-helixtrans-61.4-41.2177.600000112.4L208 I209 I210 V215 A216L208-A212 WeakPolarHBondContact O-CB 3.49Å; L208-A212 PolarHBondContact O-N 3.26Å; I209-A212 PolarHBondContact O-N 3.05Å; I210-A212 VanDerWaalsContact C-N 3.35Å; I210-A212 PolarHBondContact O-N 3.46Å; A212-V215 PolarHBondContact O-N 3.48Å; A212-A216 WeakPolarHBondContact O-CB 3.29Å; A212-A216 PolarHBondContact O-N 2.85Å
213I91.9Very high90.2Very high102 Ų10278.7 Ų78.752%0.52342%0.421SS..Hα-helixtrans-63.4-43.6176.3-67.5166.3000110.8I209 I210 A211 V215 A216 V217I209-I213 HydrophobicContact CG2-CD1 3.96Å; I209-I213 WeakPolarHBondContact O-CG1 3.18Å; I209-I213 PolarHBondContact O-N 3.43Å; I210-I213 PolarHBondContact O-N 2.98Å; A211-I213 PolarHBondContact O-N 2.7Å; I213-V215 VanDerWaalsContact C-N 3.34Å; I213-V215 PolarHBondContact O-N 3.46Å; I213-A216 PolarHBondContact O-N 3.48Å; I213-V217 WeakPolarHBondContact O-CG2 3.16Å; I213-V217 PolarHBondContact O-N 2.95Å
214I93.7Very high90.9Very high94 Ų9475 Ų7548%0.48241%0.411SS..Hα-helixtrans-60.8-45.8177.5-67.5167.1000110.3I210 A211 V217 L218I210-I214 HydrophobicContact CG2-CD1 4.01Å; I210-I214 WeakPolarHBondContact O-CG1 3.49Å; I210-I214 PolarHBondContact O-N 3.48Å; I210-I214 VanDerWaalsContact O-N 3.09Å; A211-I214 PolarHBondContact O-N 2.9Å; I214-V217 PolarHBondContact O-N 3.45Å; I214-L218 HydrophobicContact CG2-CD1 3.95Å; I214-L218 HydrophobicContact CG2-CG 4.39Å; I214-L218 WeakPolarHBondContact O-CG 3.41Å; I214-L218 PolarHBondContact O-N 2.98Å
215V92.4Very high91.6Very high61 Ų6174.2 Ų74.237%0.3740%0.404SS..Hα-helixtrans-59.6-47.8177.51710000110.9E97 A211 A212 I213 V217 L218 Q219E97-V215 WeakPolarHBondContact OE1-CG1 3.26Å; A211-V215 WeakPolarHBondContact O-CG2 3.1Å; A211-V215 PolarHBondContact O-N 3.02Å; A212-V215 PolarHBondContact O-N 3.48Å; I213-V215 VanDerWaalsContact C-N 3.34Å; I213-V215 PolarHBondContact O-N 3.46Å; V215-V217 VanDerWaalsContact C-N 3.34Å; V215-V217 PolarHBondContact O-N 3.34Å; V215-L218 PolarHBondContact O-N 3.47Å; V215-Q219 HydrophobicContact CG1-CG 4.33Å; V215-Q219 VanDerWaalsContact O-CG 3.31Å; V215-Q219 WeakPolarHBondContact O-CG 3.21Å; V215-Q219 PolarHBondContact O-N 3.41Å
216A93.1Very high92.1Very high36 Ų3672.5 Ų72.530%0.29839%0.391SS..Hα-helixtrans-58.9-43.7178.300000112.2A212 I213 Q219 L220A212-A216 WeakPolarHBondContact O-CB 3.29Å; A212-A216 PolarHBondContact O-N 2.85Å; I213-A216 PolarHBondContact O-N 3.48Å; A216-Q219 PolarHBondContact O-N 3.42Å; A216-L220 WeakPolarHBondContact O-CG 3.24Å; A216-L220 PolarHBondContact O-N 3.03Å
217V94.6Very high92.6Very high77 Ų7768.7 Ų68.747%0.46738%0.377SS..Hα-helixtrans-63.2-45176.51720000111.2I213 I214 V215 Q219 L220 L221I213-V217 WeakPolarHBondContact O-CG2 3.16Å; I213-V217 PolarHBondContact O-N 2.95Å; I214-V217 PolarHBondContact O-N 3.45Å; V215-V217 VanDerWaalsContact C-N 3.34Å; V215-V217 PolarHBondContact O-N 3.34Å; V217-Q219 VanDerWaalsContact C-N 3.33Å; V217-Q219 PolarHBondContact O-N 2.88Å; V217-L220 PolarHBondContact O-N 3.37Å; V217-L221 HydrophobicContact CG1-CD1 4.09Å; V217-L221 HydrophobicContact CG1-CG 4.48Å; V217-L221 WeakPolarHBondContact O-CG 3.48Å; V217-L221 PolarHBondContact O-N 3.23Å
218L93.6Very high92.8Very high90 Ų9063.9 Ų63.947%0.47137%0.365SS..Hα-helixtrans-63.3-38.6178.2-71.5174.7000112.2I214 V215 L221 G222I214-L218 HydrophobicContact CG2-CD1 3.95Å; I214-L218 HydrophobicContact CG2-CG 4.39Å; I214-L218 WeakPolarHBondContact O-CG 3.41Å; I214-L218 PolarHBondContact O-N 2.98Å; V215-L218 PolarHBondContact O-N 3.47Å; L218-L221 PolarHBondContact O-N 2.89Å; L218-G222 PolarHBondContact O-N 3.28Å
219Q94.8Very high92.9Very high19 Ų1958.1 Ų58.19%0.08933%0.334CS..Hα-helixtrans-64-46.7175.6-71.7173.4-2.500111.6L90 V93 V94 E97 V215 A216 V217 L221 G222 I223L90-Q219 HydrophobicContact CD1-CB 4.32Å; L90-Q219 HydrophobicContact CD1-CG 3.9Å; L90-Q219 WeakPolarHBondContact CD2-O 3.44Å; L90-Q219 HydrophobicContact CG-CB 4.33Å; L90-Q219 HydrophobicContact CG-CG 4.44Å; V93-Q219 VanDerWaalsContact CG1-NE2 3.32Å; V94-Q219 HydrophobicContact CG2-CB 3.84Å; E97-Q219 PolarHBondContact OE1-NE2 2.88Å; E97-Q219 PolarHBondContact OE2-OE1 3.42Å; V215-Q219 HydrophobicContact CG1-CG 4.33Å; V215-Q219 VanDerWaalsContact O-CG 3.31Å; V215-Q219 WeakPolarHBondContact O-CG 3.21Å; V215-Q219 PolarHBondContact O-N 3.41Å; A216-Q219 PolarHBondContact O-N 3.42Å; V217-Q219 VanDerWaalsContact C-N 3.33Å; V217-Q219 PolarHBondContact O-N 2.88Å; Q219-L221 PolarHBondContact O-N 3.3Å; Q219-G222 WeakPolarHBondContact O-CA 3.4Å; Q219-G222 PolarHBondContact O-N 3.49Å; Q219-G222 VanDerWaalsContact O-N 3.14Å; Q219-I223 WeakPolarHBondContact O-CG1 3.36Å; Q219-I223 PolarHBondContact O-N 3.39Å
220L95.3Very high93.1Very high97 Ų9754.4 Ų54.451%0.50832%0.315SS..Hα-helixtrans-60.5-44.7177.1-69.8175.6000111.7A216 V217 G222 I223 V224A216-L220 WeakPolarHBondContact O-CG 3.24Å; A216-L220 PolarHBondContact O-N 3.03Å; V217-L220 PolarHBondContact O-N 3.37Å; L220-G222 VanDerWaalsContact C-N 3.32Å; L220-G222 PolarHBondContact O-N 2.98Å; L220-I223 PolarHBondContact O-N 3.31Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 2.86Å
221L94.7Very high93Very high77 Ų7760.3 Ų60.340%0.40333%0.333SS..Hα-helixtrans-61-41.8174.2-70.7175.1000111.7V217 L218 Q219 I223 V224 F225V217-L221 HydrophobicContact CG1-CD1 4.09Å; V217-L221 HydrophobicContact CG1-CG 4.48Å; V217-L221 WeakPolarHBondContact O-CG 3.48Å; V217-L221 PolarHBondContact O-N 3.23Å; L218-L221 PolarHBondContact O-N 2.89Å; Q219-L221 PolarHBondContact O-N 3.3Å; L221-I223 PolarHBondContact O-N 2.95Å; L221-V224 PolarHBondContact O-N 3.42Å; L221-F225 HydrophobicContact CB-CE2 4.47Å; L221-F225 WeakPolarHBondContact O-CB 3.48Å; L221-F225 VanDerWaalsContact O-CG 3.25Å; L221-F225 WeakPolarHBondContact O-CG 3.31Å; L221-F225 PolarHBondContact O-N 3.05Å
222G94.8Very high92.7Very high13 Ų1358.8 Ų58.813%0.13432%0.322CS..Hα-helixtrans-58.3-44.2175.200000112.9L218 Q219 L220 A226L218-G222 PolarHBondContact O-N 3.28Å; Q219-G222 WeakPolarHBondContact O-CA 3.4Å; Q219-G222 PolarHBondContact O-N 3.49Å; Q219-G222 VanDerWaalsContact O-N 3.14Å; L220-G222 VanDerWaalsContact C-N 3.32Å; L220-G222 PolarHBondContact O-N 2.98Å; G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.44Å; G222-A226 PolarHBondContact O-N 3.47Å
223I96.2Very high92.5Very high30 Ų3057 Ų5715%0.15431%0.305CS..Hα-helixtrans-64.8-45.9176.3-65.2168.5000110.7L90 V94 Q219 L220 L221 F225 A226 C227L90-I223 HydrophobicContact CB-CG1 4.2Å; L90-I223 HydrophobicContact CD2-CG1 3.81Å; L90-I223 HydrophobicContact CG-CD1 4.48Å; L90-I223 HydrophobicContact CG-CG1 4.05Å; V94-I223 HydrophobicContact CG2-CD1 4.13Å; Q219-I223 WeakPolarHBondContact O-CG1 3.36Å; Q219-I223 PolarHBondContact O-N 3.39Å; L220-I223 PolarHBondContact O-N 3.31Å; L221-I223 PolarHBondContact O-N 2.95Å; I223-F225 PolarHBondContact O-N 3.08Å; I223-A226 PolarHBondContact O-N 3.36Å; I223-C227 WeakPolarHBondContact O-CB 3.5Å; I223-C227 PolarHBondContact O-N 3.16Å; I223-C227 PolarHBondContact O-SG 3.39Å
224V95.3Very high92Very high76 Ų7659.4 Ų59.446%0.46131%0.307SS..Hα-helixtrans-60.6-48.5178.5170.90000110.3L220 L221 A226 C227 L228L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 2.86Å; L221-V224 PolarHBondContact O-N 3.42Å; V224-A226 PolarHBondContact O-N 3.17Å; V224-C227 WeakPolarHBondContact O-CB 3.24Å; V224-C227 PolarHBondContact O-N 3.04Å; V224-L228 HydrophobicContact CG1-CD1 4.14Å; V224-L228 HydrophobicContact CG1-CG 4.44Å; V224-L228 WeakPolarHBondContact O-CG 3.36Å; V224-L228 PolarHBondContact O-N 3.25Å
225F94.3Very high91.2Very high52 Ų5256.6 Ų56.623%0.22830%0.301CS..Hα-helixtrans-65.1-38178.8-68.1-15.3000112.7V10 V13 L14 L221 I223 L228 L229V10-F225 HydrophobicContact CG1-CB 3.79Å; V10-F225 HydrophobicContact CG1-CD1 4.22Å; V10-F225 HydrophobicContact CG1-CG 4.07Å; V13-F225 HydrophobicContact CG1-CD2 4.31Å; V13-F225 HydrophobicContact CG1-CE2 3.92Å; L14-F225 HydrophobicContact CD1-CB 3.75Å; L221-F225 HydrophobicContact CB-CE2 4.47Å; L221-F225 WeakPolarHBondContact O-CB 3.48Å; L221-F225 VanDerWaalsContact O-CG 3.25Å; L221-F225 WeakPolarHBondContact O-CG 3.31Å; L221-F225 PolarHBondContact O-N 3.05Å; I223-F225 PolarHBondContact O-N 3.08Å; F225-L228 HydrophobicContact CD1-CD1 4.32Å; F225-L228 PolarHBondContact O-N 3.23Å; F225-L229 WeakPolarHBondContact O-CB 3.48Å; F225-L229 PolarHBondContact O-N 2.83Å
226A93.8Very high89.9Confident0 Ų054.8 Ų54.80%030%0.295CS..Hα-helixtrans-61.3-45.3172.500000111.3L14 V83 F86 G222 I223 V224 L229 M230L14-A226 HydrophobicContact CD1-CB 4.28Å; V83-A226 HydrophobicContact CG1-CB 3.78Å; F86-A226 HydrophobicContact CD1-CB 3.89Å; F86-A226 HydrophobicContact CE1-CB 4Å; G222-A226 VanDerWaalsContact O-CB 3.26Å; G222-A226 WeakPolarHBondContact O-CB 3.44Å; G222-A226 PolarHBondContact O-N 3.47Å; I223-A226 PolarHBondContact O-N 3.36Å; V224-A226 PolarHBondContact O-N 3.17Å; A226-L229 PolarHBondContact O-N 2.94Å; A226-M230 WeakPolarHBondContact O-CB 3.25Å; A226-M230 VanDerWaalsContact O-CG 3.31Å; A226-M230 WeakPolarHBondContact O-CG 3.37Å; A226-M230 PolarHBondContact O-N 2.98Å
227C92.6Very high88.4Confident48 Ų4860.3 Ų60.332%0.32431%0.31SS..Hα-helixtrans-61.3-44.5176.4-70.10000112.7I223 V224 L229 M230 R231I223-C227 WeakPolarHBondContact O-CB 3.5Å; I223-C227 PolarHBondContact O-N 3.16Å; I223-C227 PolarHBondContact O-SG 3.39Å; V224-C227 WeakPolarHBondContact O-CB 3.24Å; V224-C227 PolarHBondContact O-N 3.04Å; C227-L229 VanDerWaalsContact C-N 3.35Å; C227-M230 HydrophobicContact CB-CE 4.47Å; C227-M230 PolarHBondContact O-N 2.92Å; C227-R231 WeakPolarHBondContact O-CG 3.45Å; C227-R231 PolarHBondContact O-N 3.26Å
228L91.4Very high86.9Confident75 Ų7563.4 Ų63.439%0.39332%0.319SS..Hα-helixtrans-61.9-44.1176.3-69176.9000111.1V224 F225 R231 G232V224-L228 HydrophobicContact CG1-CD1 4.14Å; V224-L228 HydrophobicContact CG1-CG 4.44Å; V224-L228 WeakPolarHBondContact O-CG 3.36Å; V224-L228 PolarHBondContact O-N 3.25Å; F225-L228 HydrophobicContact CD1-CD1 4.32Å; F225-L228 PolarHBondContact O-N 3.23Å; L228-R231 PolarHBondContact O-N 3.42Å; L228-G232 PolarHBondContact O-N 3.47Å
229L90.3Very high85.3Confident1 Ų164.4 Ų64.41%0.00533%0.328CS..Hα-helixtrans-65.8-41.7178.4-171.665.6000111.8K11 A75 V83 F225 A226 C227 R231 G232 I233K11-L229 HydrophobicContact CB-CD1 4.24Å; A75-L229 HydrophobicContact CB-CD2 4.22Å; V83-L229 HydrophobicContact CG2-CD2 4.07Å; F225-L229 WeakPolarHBondContact O-CB 3.48Å; F225-L229 PolarHBondContact O-N 2.83Å; A226-L229 PolarHBondContact O-N 2.94Å; C227-L229 VanDerWaalsContact C-N 3.35Å; L229-R231 PolarHBondContact O-N 3.37Å; L229-G232 PolarHBondContact O-N 3.42Å; L229-I233 HydrophobicContact CG-CD1 3.97Å; L229-I233 WeakPolarHBondContact O-CD1 3.42Å; L229-I233 VanDerWaalsContact O-CG1 3.24Å; L229-I233 WeakPolarHBondContact O-CG1 3.33Å; L229-I233 PolarHBondContact O-N 3.41Å
230M90.4Very high83.1Confident26 Ų2671.4 Ų71.413%0.12836%0.363CS..Hα-helixtrans-60-44175.1-75.7-175-71.300112.2V83 A84 A226 C227 G232 I233 R234V83-M230 HydrophobicContact CB-CG 3.92Å; V83-M230 HydrophobicContact CG1-CG 3.6Å; V83-M230 HydrophobicContact CG1-SD 4.27Å; A84-M230 VanDerWaalsContact CA-SD 3.52Å; A84-M230 HydrophobicContact CB-SD 3.7Å; A226-M230 WeakPolarHBondContact O-CB 3.25Å; A226-M230 VanDerWaalsContact O-CG 3.31Å; A226-M230 WeakPolarHBondContact O-CG 3.37Å; A226-M230 PolarHBondContact O-N 2.98Å; C227-M230 HydrophobicContact CB-CE 4.47Å; C227-M230 PolarHBondContact O-N 2.92Å; M230-G232 VanDerWaalsContact C-N 3.35Å; M230-I233 PolarHBondContact O-N 2.99Å; M230-R234 WeakPolarHBondContact O-CB 3.48Å; M230-R234 PolarHBondContact O-N 3.4Å
231R88.3Confident82.5Confident193 Ų19370.2 Ų70.273%0.72836%0.356SS*.Hα-helixtrans-62-42.8174.9-74.2-179.6177.4178.7-0.3111.7C227 L228 L229 R234 G235C227-R231 WeakPolarHBondContact O-CG 3.45Å; C227-R231 PolarHBondContact O-N 3.26Å; L228-R231 PolarHBondContact O-N 3.42Å; L229-R231 PolarHBondContact O-N 3.37Å; R231-R234 PolarHBondContact O-N 3.17Å; R231-G235 PolarHBondContact O-N 3.18Å
232G85.7Confident81.8Confident16 Ų1669.8 Ų69.817%0.16535%0.354CS..Hα-helixtrans-60-45.4175.200000113.3M7 L228 L229 M230 G236M7-G232 WeakPolarHBondContact SD-CA 3.3Å; L228-G232 PolarHBondContact O-N 3.47Å; L229-G232 PolarHBondContact O-N 3.42Å; M230-G232 VanDerWaalsContact C-N 3.35Å; G232-G236 PolarHBondContact O-N 2.96Å
233I84.9Confident81.1Confident14 Ų1472.9 Ų72.97%0.07237%0.366CS..Hα-helixtrans-62.1-47.9177.5-68161.8000110.4E78 H80 V83 L229 M230 G236 Y237E78-I233 HydrophobicContact CB-CD1 4.31Å; E78-I233 HydrophobicContact CB-CG1 4.19Å; E78-I233 WeakPolarHBondContact O-CD1 3.27Å; E78-I233 WeakPolarHBondContact O-CG2 3.21Å; H80-I233 HydrophobicContact CB-CG2 4.12Å; V83-I233 HydrophobicContact CG2-CD1 4.43Å; L229-I233 HydrophobicContact CG-CD1 3.97Å; L229-I233 WeakPolarHBondContact O-CD1 3.42Å; L229-I233 VanDerWaalsContact O-CG1 3.24Å; L229-I233 WeakPolarHBondContact O-CG1 3.33Å; L229-I233 PolarHBondContact O-N 3.41Å; M230-I233 PolarHBondContact O-N 2.99Å; I233-G236 PolarHBondContact O-N 3.28Å; I233-Y237 HydrophobicContact CG2-CD2 4.14Å; I233-Y237 HydrophobicContact CG2-CE2 3.66Å; I233-Y237 WeakPolarHBondContact O-CD2 3.49Å; I233-Y237 PolarHBondContact O-N 2.9Å
234R81.9Confident80.2Confident152 Ų15275.5 Ų75.557%0.57438%0.378SS*.Hα-helixtrans-66.3-42.9-178.3-173.2173.1175.5165.12.3112.9M230 R231 G236 Y237 E238M230-R234 WeakPolarHBondContact O-CB 3.48Å; M230-R234 PolarHBondContact O-N 3.4Å; R231-R234 PolarHBondContact O-N 3.17Å; R234-G236 PolarHBondContact O-N 3.47Å; R234-Y237 WeakPolarHBondContact O-CB 3.43Å; R234-Y237 PolarHBondContact O-N 3.39Å; R234-E238 IonicContact NE-OE1 3.65Å; R234-E238 PolarHBondContact O-N 3.29Å
235G76.4Confident79.3Confident35 Ų3575.4 Ų75.436%0.36137%0.373SS..Hα-helixtrans-60.3-29.9175.500000112.7R231 V239R231-G235 PolarHBondContact O-N 3.18Å; G235-V239 WeakPolarHBondContact O-CG2 3.42Å
236G66.6Low78.3Confident23 Ų2377 Ų7724%0.23738%0.383CS..Hα-helixtrans-68.6-28.8172.400000114.5G232 I233 R234 V239 M240G232-G236 PolarHBondContact O-N 2.96Å; I233-G236 PolarHBondContact O-N 3.28Å; R234-G236 PolarHBondContact O-N 3.47Å; G236-V239 WeakPolarHBondContact O-CG2 3.5Å; G236-M240 WeakPolarHBondContact O-CE 3.02Å
237Y61.6Low77.2Confident153 Ų15382.5 Ų82.560%0.641%0.41SS*.Hα-helixtrans-78.4-31.4176.6-77.4-74.8000113.2I233 R234 V239I233-Y237 HydrophobicContact CG2-CD2 4.14Å; I233-Y237 HydrophobicContact CG2-CE2 3.66Å; I233-Y237 WeakPolarHBondContact O-CD2 3.49Å; I233-Y237 PolarHBondContact O-N 2.9Å; R234-Y237 WeakPolarHBondContact O-CB 3.43Å; R234-Y237 PolarHBondContact O-N 3.39Å; Y237-V239 VanDerWaalsContact C-N 3.29Å; Y237-V239 PolarHBondContact O-N 2.99Å
238E61.7Low76Confident141 Ų14185.2 Ų85.266%0.65942%0.417SS*.Hα-helixtrans-77.5-13.6-177.9-69.1-179.6172.600113.5R234R234-E238 IonicContact NE-OE1 3.65Å; R234-E238 PolarHBondContact O-N 3.29Å
239V59.6Low74.7Confident111 Ų11186 Ų8667%0.67342%0.419SS*.THydrogen-bonded Turntrans-101.66.6178-61.80000113.6M1 G235 G236 Y237M1-V239 HydrophobicContact CE-CG2 3.64Å; G235-V239 WeakPolarHBondContact O-CG2 3.42Å; G236-V239 WeakPolarHBondContact O-CG2 3.5Å; Y237-V239 VanDerWaalsContact C-N 3.29Å; Y237-V239 PolarHBondContact O-N 2.99Å
240M49.1Very low73.3Confident167 Ų16793.7 Ų93.782%0.82346%0.456SS*.  trans-109.20172.8-67.1-170.2-10100110.2M1 G236M1-M240 HydrophobicContact CE-CE 3.8Å; M1-M240 HydrophobicContact CE-CG 3.21Å; M1-M240 HydrophobicContact CE-SD 3.71Å; M1-M240 HydrophobicContact SD-CG 4.43Å; G236-M240 WeakPolarHBondContact O-CE 3.02Å

Retrieved 240 of 240 residues in 83 ms (Link to these results)

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