A0A087YGJ0_POEFO Loading...

Cornichon family member 1

AlphaFold DB (A0A3B3UN70), UniProt , Accession A0A087YGJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 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
1M48.3Very low77.5Confident213 Ų21370.8 Ų70.8100%1.04937%0.365SS*.  0116.40-68.7-168.2-139.600105.7F3M1-F3 PolarHBondContact O-N 3.37Å
2A53.4Low78.4Confident77 Ų7769.2 Ų69.264%0.63636%0.357SS*.  trans-68.97-16400000116.2
3F66.9Low79.1Confident120 Ų12063.8 Ų63.853%0.52633%0.33SS..  trans-134.590.3175.9-154.7-102000108.9M1 F8 M11M1-F3 PolarHBondContact O-N 3.37Å; F3-F8 HydrophobicContact CE1-CB 3.75Å; F3-F8 HydrophobicContact CE1-CD2 4.13Å; F3-F8 HydrophobicContact CE1-CG 4.37Å; F3-F8 HydrophobicContact CZ-CB 4.18Å; F3-F8 HydrophobicContact CZ-CD2 4.34Å; F3-M11 HydrophobicContact CE2-CE 4.4Å; F3-M11 HydrophobicContact CZ-CE 4.38Å
4T81.1Confident79.9Confident49 Ų4960.9 Ų60.930%0.30132%0.315SS..  trans-77.2152.6176.260.20000109.9A6 A7 F8 V156T4-A6 PolarHBondContact O-N 2.77Å; T4-A7 WeakPolarHBondContact O-CB 3.29Å; T4-A7 PolarHBondContact O-N 3.01Å; T4-A7 PolarHBondContact OG1-N 3.28Å; T4-F8 PolarHBondContact O-N 3.06Å; T4-V156 WeakPolarHBondContact OG1-CG1 3.11Å
5F84Confident80.6Confident114 Ų11465.4 Ų65.450%0.534%0.338SS..Hα-helixtrans-55-35.2174.4177.5-110.3000111.8A7 F8 C9 C84 A85F5-A7 PolarHBondContact O-N 3.2Å; F5-F8 WeakPolarHBondContact O-CB 3.49Å; F5-F8 PolarHBondContact O-N 2.81Å; F5-C9 PolarHBondContact O-N 3.47Å; F5-C9 PolarHBondContact O-SG 3.12Å; F5-C84 HydrophobicContact CE1-CB 4.14Å; F5-C84 HydrophobicContact CZ-CB 4.4Å; F5-A85 HydrophobicContact CD1-CB 4.1Å; F5-A85 HydrophobicContact CE1-CB 4.03Å
6A83.1Confident81.1Confident14 Ų1463.4 Ų63.412%0.11633%0.328CS..Hα-helixtrans-59.9-44.8174.600000112.7T4 F8 C9 Y10 V156T4-A6 PolarHBondContact O-N 2.77Å; A6-F8 VanDerWaalsContact C-N 3.31Å; A6-F8 PolarHBondContact O-N 3.06Å; A6-C9 WeakPolarHBondContact O-CB 3.32Å; A6-C9 PolarHBondContact O-N 2.74Å; A6-C9 VanDerWaalsContact O-N 3.12Å; A6-Y10 HydrophobicContact CB-CE2 4.46Å; A6-Y10 WeakPolarHBondContact O-CD2 3.45Å; A6-Y10 PolarHBondContact O-N 3.15Å; A6-V156 HydrophobicContact CB-CG1 4.21Å
7A85.1Confident81.6Confident0 Ų059.8 Ų59.80%031%0.309CS..Hα-helixtrans-60-41.2177.900000112T4 F5 Y10 M11 V156 L157T4-A7 WeakPolarHBondContact O-CB 3.29Å; T4-A7 PolarHBondContact O-N 3.01Å; T4-A7 PolarHBondContact OG1-N 3.28Å; F5-A7 PolarHBondContact O-N 3.2Å; A7-Y10 PolarHBondContact O-N 3.42Å; A7-M11 WeakPolarHBondContact O-CG 3.1Å; A7-M11 PolarHBondContact O-N 2.87Å; A7-V156 HydrophobicContact CB-CG1 4.02Å; A7-L157 HydrophobicContact CB-CD2 3.89Å; A7-L157 HydrophobicContact CB-CG 4.36Å
8F86.3Confident82Confident96 Ų9659.1 Ų59.142%0.42131%0.314SS..Hα-helixtrans-61.8-44.7173.6179.4-103.8000112.2F3 T4 F5 A6 Y10 M11 L12F3-F8 HydrophobicContact CE1-CB 3.75Å; F3-F8 HydrophobicContact CE1-CD2 4.13Å; F3-F8 HydrophobicContact CE1-CG 4.37Å; F3-F8 HydrophobicContact CZ-CB 4.18Å; F3-F8 HydrophobicContact CZ-CD2 4.34Å; T4-F8 PolarHBondContact O-N 3.06Å; F5-F8 WeakPolarHBondContact O-CB 3.49Å; F5-F8 PolarHBondContact O-N 2.81Å; A6-F8 VanDerWaalsContact C-N 3.31Å; A6-F8 PolarHBondContact O-N 3.06Å; F8-Y10 PolarHBondContact O-N 2.75Å; F8-M11 PolarHBondContact O-N 3.42Å; F8-L12 HydrophobicContact CE1-CD1 4.04Å; F8-L12 HydrophobicContact CZ-CD1 3.92Å; F8-L12 WeakPolarHBondContact O-CB 3.01Å; F8-L12 PolarHBondContact O-N 3.17Å
9C87.4Confident82.3Confident0 Ų058 Ų580%031%0.314CS..Hα-helixtrans-59.9-43.6176.9-67.70000112F5 A6 L12 A13 M81 A85F5-C9 PolarHBondContact O-N 3.47Å; F5-C9 PolarHBondContact O-SG 3.12Å; A6-C9 WeakPolarHBondContact O-CB 3.32Å; A6-C9 PolarHBondContact O-N 2.74Å; A6-C9 VanDerWaalsContact O-N 3.12Å; C9-L12 PolarHBondContact O-N 2.96Å; C9-A13 WeakPolarHBondContact O-CB 3.49Å; C9-A13 PolarHBondContact O-N 3.14Å; C9-M81 HydrophobicContact CB-CE 3.96Å; C9-M81 HydrophobicContact CB-CG 4.17Å; C9-M81 HydrophobicContact CB-SD 4.21Å; C9-M81 VanDerWaalsContact O-CE 3.24Å; C9-M81 WeakPolarHBondContact O-CE 3.44Å; C9-M81 VanDerWaalsContact SG-CG 3.52Å; C9-A85 HydrophobicContact CB-CB 4.4Å
10Y87.7Confident82.5Confident4 Ų455.1 Ų55.12%0.01630%0.299CS..Hα-helixtrans-65.8-41.1176.9-77.1-68.9000112.8A6 A7 F8 A13 L14 F82 E87 T90 Y149 V156A6-Y10 HydrophobicContact CB-CE2 4.46Å; A6-Y10 WeakPolarHBondContact O-CD2 3.45Å; A6-Y10 PolarHBondContact O-N 3.15Å; A7-Y10 PolarHBondContact O-N 3.42Å; F8-Y10 PolarHBondContact O-N 2.75Å; Y10-A13 PolarHBondContact O-N 2.85Å; Y10-L14 WeakPolarHBondContact O-CG 3.25Å; Y10-L14 PolarHBondContact O-N 2.85Å; Y10-F82 AromaticContact CD1-CE1 3.83Å; Y10-F82 HydrophobicContact CD1-CE1 3.83Å; Y10-F82 HydrophobicContact CD1-CZ 4.15Å; Y10-F82 AromaticContact CE1-CE1 3.75Å; Y10-F82 HydrophobicContact CE1-CE1 3.75Å; Y10-F82 HydrophobicContact CE1-CZ 4.26Å; Y10-F82 HydrophobicContact CG-CE1 4.38Å; Y10-E87 HydrophobicContact CE2-CG 4.14Å; Y10-E87 PolarHBondContact OH-OE2 3.03Å; Y10-T90 HydrophobicContact CE1-CG2 3.87Å; Y10-T90 WeakPolarHBondContact OH-CG2 3.49Å; Y10-Y149 HydrophobicContact CD1-CD1 4.22Å; Y10-Y149 HydrophobicContact CE1-CD1 4.24Å; Y10-V156 HydrophobicContact CD2-CG2 4.23Å; Y10-V156 HydrophobicContact CE2-CG2 3.89Å
11M89.3Confident82.8Confident92 Ų9254 Ų5445%0.45329%0.292SS..Hα-helixtrans-61.5-44.9175.7-69.4-116.7-73.200111.9F3 A7 F8 L14 L15 M153F3-M11 HydrophobicContact CE2-CE 4.4Å; F3-M11 HydrophobicContact CZ-CE 4.38Å; A7-M11 WeakPolarHBondContact O-CG 3.1Å; A7-M11 PolarHBondContact O-N 2.87Å; F8-M11 PolarHBondContact O-N 3.42Å; M11-L14 PolarHBondContact O-N 3.48Å; M11-L15 PolarHBondContact O-N 2.94Å; M11-M153 HydrophobicContact CG-CG 4.18Å; M11-M153 HydrophobicContact CG-SD 3.75Å; M11-M153 HydrophobicContact SD-SD 3.84Å
12L88.7Confident84.6Confident51 Ų5150.6 Ų50.627%0.26727%0.272SS..Hα-helixtrans-68.6-40178-167.9150.8000111.2F8 C9 L14 L15 L16 F77 M81F8-L12 HydrophobicContact CE1-CD1 4.04Å; F8-L12 HydrophobicContact CZ-CD1 3.92Å; F8-L12 WeakPolarHBondContact O-CB 3.01Å; F8-L12 PolarHBondContact O-N 3.17Å; C9-L12 PolarHBondContact O-N 2.96Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 2.72Å; L12-L16 HydrophobicContact CD2-CD1 3.33Å; L12-L16 HydrophobicContact CD2-CG 3.89Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.32Å; L12-F77 HydrophobicContact CD2-CE1 4.18Å; L12-M81 HydrophobicContact CB-CE 4.29Å; L12-M81 HydrophobicContact CD2-CE 3.78Å; L12-M81 HydrophobicContact CD2-SD 3.9Å
13A87.4Confident86Confident0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-62.2-39176.200000112.1C9 Y10 L16 T17 M81 F82 Y149C9-A13 WeakPolarHBondContact O-CB 3.49Å; C9-A13 PolarHBondContact O-N 3.14Å; Y10-A13 PolarHBondContact O-N 2.85Å; A13-L16 PolarHBondContact O-N 3.2Å; A13-T17 VanDerWaalsContact O-CB 3.23Å; A13-T17 WeakPolarHBondContact O-CB 3.11Å; A13-T17 PolarHBondContact O-N 2.83Å; A13-T17 PolarHBondContact O-OG1 3.11Å; A13-M81 HydrophobicContact CB-CE 4.36Å; A13-F82 HydrophobicContact CB-CE2 3.9Å; A13-F82 HydrophobicContact CB-CZ 3.5Å; A13-F82 VanDerWaalsContact CB-CZ 3.5Å; A13-Y149 HydrophobicContact CB-CD2 4.32Å; A13-Y149 HydrophobicContact CB-CE2 4.5Å
14L90.4Very high86.9Confident23 Ų2344.5 Ų44.512%0.1223%0.231CC..Hα-helixtrans-59.9-47.7174.4-83168.9000112.1Y10 M11 L12 T17 A18 F146 L150 M153Y10-L14 WeakPolarHBondContact O-CG 3.25Å; Y10-L14 PolarHBondContact O-N 2.85Å; M11-L14 PolarHBondContact O-N 3.48Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.25Å; L14-T17 PolarHBondContact O-N 3.16Å; L14-A18 PolarHBondContact O-N 2.91Å; L14-F146 HydrophobicContact CD2-CD2 3.86Å; L14-F146 HydrophobicContact CD2-CE2 3.76Å; L14-F146 HydrophobicContact CD2-CG 4.4Å; L14-F146 HydrophobicContact CD2-CZ 4.23Å; L14-F146 WeakPolarHBondContact CD2-O 3.06Å; L14-L150 HydrophobicContact CD2-CB 4.16Å; L14-M153 HydrophobicContact CD1-CB 4.38Å; L14-M153 HydrophobicContact CD1-CE 4.18Å; L14-M153 HydrophobicContact CD1-SD 3.66Å
15L90.3Very high87.1Confident128 Ų12845.7 Ų45.767%0.6724%0.235SC*.Hα-helixtrans-63.2-45.7179.3-173150.8000111.5M11 L12 A18 A19M11-L15 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 2.72Å; L15-A18 PolarHBondContact O-N 2.89Å; L15-A19 PolarHBondContact O-N 3.38Å
16L88.3Confident87.1Confident34 Ų3444.4 Ų44.418%0.17823%0.227CC..Hα-helixtrans-65.4-37.7176.8-70.7-179.3000112.3L12 A13 A19 L20 I74 F77L12-L16 HydrophobicContact CD2-CD1 3.33Å; L12-L16 HydrophobicContact CD2-CG 3.89Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.32Å; A13-L16 PolarHBondContact O-N 3.2Å; L16-A19 WeakPolarHBondContact O-CB 3.46Å; L16-A19 PolarHBondContact O-N 3.16Å; L16-L20 WeakPolarHBondContact O-CG 3.25Å; L16-L20 PolarHBondContact O-N 3.49Å; L16-I74 HydrophobicContact CB-CG2 3.99Å; L16-I74 HydrophobicContact CD1-CG2 4.13Å; L16-I74 HydrophobicContact CD2-CG2 4.13Å; L16-I74 HydrophobicContact CG-CG2 4.33Å; L16-F77 HydrophobicContact CD1-CD1 4.02Å; L16-F77 HydrophobicContact CD1-CE1 4.24Å
17T89.7Confident86.9Confident1 Ų144.6 Ų44.61%0.00623%0.226CC..Hα-helixtrans-67.2-37.6178.2-55.80000111.3A13 L14 A19 L20 I21 F146 Y149A13-T17 VanDerWaalsContact O-CB 3.23Å; A13-T17 WeakPolarHBondContact O-CB 3.11Å; A13-T17 PolarHBondContact O-N 2.83Å; A13-T17 PolarHBondContact O-OG1 3.11Å; L14-T17 PolarHBondContact O-N 3.16Å; T17-A19 VanDerWaalsContact C-N 3.33Å; T17-A19 PolarHBondContact O-N 2.8Å; T17-L20 WeakPolarHBondContact O-CB 3.48Å; T17-L20 PolarHBondContact O-N 2.83Å; T17-I21 HydrophobicContact CG2-CD1 4.33Å; T17-I21 WeakPolarHBondContact O-CG1 3.29Å; T17-I21 PolarHBondContact O-N 3.47Å; T17-F146 HydrophobicContact CG2-CB 4.06Å; T17-F146 HydrophobicContact CG2-CD2 4.34Å; T17-Y149 HydrophobicContact CG2-CD2 4.47Å; T17-Y149 HydrophobicContact CG2-CE2 4.4Å; T17-Y149 WeakPolarHBondContact OG1-CD2 3.45Å; T17-Y149 VanDerWaalsContact OG1-CE2 3.29Å; T17-Y149 WeakPolarHBondContact OG1-CE2 3.22Å
18A88.4Confident86.9Confident48 Ų4845.3 Ų45.340%0.39723%0.229SC..Hα-helixtrans-61-42.3172.600000111.9L14 L15 I21 F22 F146L14-A18 PolarHBondContact O-N 2.91Å; L15-A18 PolarHBondContact O-N 2.89Å; A18-I21 PolarHBondContact O-N 3.44Å; A18-F22 PolarHBondContact O-N 3.08Å; A18-F146 HydrophobicContact CB-CE2 4.42Å
19A87.7Confident86.8Confident38 Ų3844.9 Ų44.931%0.31423%0.231SC..Hα-helixtrans-64.1-40.3173.800000112.2L15 L16 T17 F22 F23L15-A19 PolarHBondContact O-N 3.38Å; L16-A19 WeakPolarHBondContact O-CB 3.46Å; L16-A19 PolarHBondContact O-N 3.16Å; T17-A19 VanDerWaalsContact C-N 3.33Å; T17-A19 PolarHBondContact O-N 2.8Å; A19-F22 WeakPolarHBondContact O-CB 3.48Å; A19-F22 PolarHBondContact O-N 3.23Å; A19-F23 WeakPolarHBondContact O-CD2 3.16Å; A19-F23 PolarHBondContact O-N 3.01Å; A19-F23 VanDerWaalsContact O-N 3.08Å
20L86.3Confident86.3Confident0 Ų045.1 Ų45.10%023%0.232CC..Hα-helixtrans-62.2-40.9175.8-73.9170.2000112.6L16 T17 F22 F23 A24 E71 I74 F78 Y142L16-L20 WeakPolarHBondContact O-CG 3.25Å; L16-L20 PolarHBondContact O-N 3.49Å; T17-L20 WeakPolarHBondContact O-CB 3.48Å; T17-L20 PolarHBondContact O-N 2.83Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.03Å; L20-F23 PolarHBondContact O-N 2.73Å; L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 3.14Å; L20-E71 HydrophobicContact CD2-CB 4.18Å; L20-E71 HydrophobicContact CD2-CG 3.75Å; L20-I74 HydrophobicContact CD1-CG2 3.9Å; L20-I74 HydrophobicContact CD2-CB 4.07Å; L20-I74 HydrophobicContact CD2-CD1 4.33Å; L20-I74 HydrophobicContact CD2-CG2 4.06Å; L20-I74 HydrophobicContact CG-CG2 3.97Å; L20-F78 HydrophobicContact CD1-CD1 4.35Å; L20-F78 HydrophobicContact CD1-CE1 3.91Å; L20-Y142 HydrophobicContact CD1-CE1 4.17Å
21I88.8Confident85.8Confident33 Ų3345.2 Ų45.217%0.16923%0.233CC..Hα-helixtrans-59.9-43.8175.4-69.9166.3000110.3T17 A18 F23 A24 I25 L139 F146T17-I21 HydrophobicContact CG2-CD1 4.33Å; T17-I21 WeakPolarHBondContact O-CG1 3.29Å; T17-I21 PolarHBondContact O-N 3.47Å; A18-I21 PolarHBondContact O-N 3.44Å; I21-F23 PolarHBondContact O-N 2.99Å; I21-A24 PolarHBondContact O-N 3.44Å; I21-I25 HydrophobicContact CG2-CD1 3.85Å; I21-I25 HydrophobicContact CG2-CG1 4.5Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.39Å; I21-I25 PolarHBondContact O-N 2.93Å; I21-L139 HydrophobicContact CG2-CD1 4.07Å; I21-F146 HydrophobicContact CD1-CB 4.17Å; I21-F146 HydrophobicContact CD1-CD2 4.41Å; I21-F146 HydrophobicContact CD1-CG 4.4Å
22F86.7Confident85.5Confident140 Ų14044.3 Ų44.361%0.61423%0.23SC*.Hα-helixtrans-60.8-45.1176.5-178-97000112.1A18 A19 L20 A24 I25 W26A18-F22 PolarHBondContact O-N 3.08Å; A19-F22 WeakPolarHBondContact O-CB 3.48Å; A19-F22 PolarHBondContact O-N 3.23Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.03Å; F22-A24 PolarHBondContact O-N 3.26Å; F22-I25 PolarHBondContact O-N 3.47Å; F22-W26 PolarHBondContact O-N 2.96Å
23F82.2Confident85Confident65 Ų6545.3 Ų45.329%0.28523%0.233SC..Hα-helixtrans-63.4-39.6175.7-73.3-60.4000112.8A19 L20 I21 W26 H27A19-F23 WeakPolarHBondContact O-CD2 3.16Å; A19-F23 PolarHBondContact O-N 3.01Å; A19-F23 VanDerWaalsContact O-N 3.08Å; L20-F23 PolarHBondContact O-N 2.73Å; I21-F23 PolarHBondContact O-N 2.99Å; F23-W26 PolarHBondContact O-N 3.05Å; F23-H27 WeakPolarHBondContact O-CB 3.46Å; F23-H27 PolarHBondContact O-N 2.8Å
24A84.9Confident84.4Confident4 Ų446.3 Ų46.33%0.03324%0.238CC..Hα-helixtrans-63.1-43.117700000111.8L20 I21 F22 H27 I28 L139 Y142L20-A24 WeakPolarHBondContact O-CB 3.45Å; L20-A24 PolarHBondContact O-N 3.14Å; I21-A24 PolarHBondContact O-N 3.44Å; F22-A24 PolarHBondContact O-N 3.26Å; A24-H27 PolarHBondContact O-N 3.38Å; A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 2.83Å; A24-L139 HydrophobicContact CB-CD1 4.19Å; A24-Y142 HydrophobicContact CB-CD2 4.25Å
25I86.9Confident83.6Confident74 Ų7451 Ų5138%0.37926%0.258SS..Hα-helixtrans-63-46.9175.9-67.2166.6000110.5I21 F22 H27 I28 I29 L139I21-I25 HydrophobicContact CG2-CD1 3.85Å; I21-I25 HydrophobicContact CG2-CG1 4.5Å; I21-I25 VanDerWaalsContact O-CG1 3.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.39Å; I21-I25 PolarHBondContact O-N 2.93Å; F22-I25 PolarHBondContact O-N 3.47Å; I25-H27 VanDerWaalsContact C-N 3.27Å; I25-H27 PolarHBondContact O-N 3.07Å; I25-I28 PolarHBondContact O-N 3.33Å; I25-I28 VanDerWaalsContact O-N 3.16Å; I25-I29 HydrophobicContact CG2-CD1 3.78Å; I25-I29 HydrophobicContact CG2-CG1 4.43Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 2.98Å; I25-L139 HydrophobicContact CD1-CD1 4.39Å; I25-L139 HydrophobicContact CG1-CD1 3.78Å; I25-L139 HydrophobicContact CG1-CD2 4.47Å
26W83.3Confident82.9Confident88 Ų8849 Ų4933%0.33325%0.251SS..Hα-helixtrans-58.8-40.2177.3-174.984000111.8F22 F23 I29 A30 T47 L48 L67F22-W26 PolarHBondContact O-N 2.96Å; F23-W26 PolarHBondContact O-N 3.05Å; W26-I29 PolarHBondContact O-N 3.49Å; W26-A30 WeakPolarHBondContact O-CB 3.44Å; W26-A30 PolarHBondContact O-N 3.47Å; W26-T47 HydrophobicContact CH2-CG2 4.16Å; W26-T47 HydrophobicContact CZ2-CG2 4.31Å; W26-L48 HydrophobicContact CH2-CD1 4.31Å; W26-L48 HydrophobicContact CZ3-CD1 4.47Å; W26-L67 HydrophobicContact CE3-CD2 4.21Å; W26-L67 HydrophobicContact CH2-CD2 3.23Å; W26-L67 HydrophobicContact CZ2-CD2 4.04Å; W26-L67 HydrophobicContact CZ3-CD2 3.34Å
27H79.1Confident81.9Confident18 Ų1853.5 Ų53.58%0.08328%0.275CS..Hα-helixtrans-62.7-43.7174.6-104.5-65.3000113F23 A24 I25 A30 F31 V68F23-H27 WeakPolarHBondContact O-CB 3.46Å; F23-H27 PolarHBondContact O-N 2.8Å; A24-H27 PolarHBondContact O-N 3.38Å; I25-H27 VanDerWaalsContact C-N 3.27Å; I25-H27 PolarHBondContact O-N 3.07Å; H27-A30 PolarHBondContact O-N 3.01Å; H27-F31 AromaticContact ND1-CE2 3.86Å; H27-F31 WeakPolarHBondContact O-CD2 3.34Å; H27-F31 PolarHBondContact O-N 3.29Å; H27-F31 VanDerWaalsContact O-N 3.12Å; H27-V68 VanDerWaalsContact CE1-CG2 3.5Å; H27-V68 WeakPolarHBondContact CE1-CG2 3.5Å
28I84.6Confident80.5Confident15 Ų1563 Ų638%0.07731%0.312CS..Hα-helixtrans-62.3-45.1177.8-67.9163.9000110.5A24 I25 A30 F31 D32 W136 L139A24-I28 WeakPolarHBondContact O-CG1 3.31Å; A24-I28 PolarHBondContact O-N 2.83Å; I25-I28 PolarHBondContact O-N 3.33Å; I25-I28 VanDerWaalsContact O-N 3.16Å; I28-A30 PolarHBondContact O-N 3.16Å; I28-F31 PolarHBondContact O-N 3.16Å; I28-D32 PolarHBondContact O-N 2.95Å; I28-W136 HydrophobicContact CD1-CD2 4.34Å; I28-W136 HydrophobicContact CD1-CG 4.45Å; I28-W136 HydrophobicContact CG2-CZ2 4.11Å; I28-L139 HydrophobicContact CD1-CB 4Å; I28-L139 HydrophobicContact CD1-CD2 3.79Å; I28-L139 HydrophobicContact CD1-CG 4.44Å
29I83.8Confident79.2Confident87 Ų8764.5 Ų64.545%0.44631%0.31SS..Hα-helixtrans-61.6-44.9177.9-64.8166.8000110.3I25 W26 F31 D32 E33I25-I29 HydrophobicContact CG2-CD1 3.78Å; I25-I29 HydrophobicContact CG2-CG1 4.43Å; I25-I29 WeakPolarHBondContact O-CG1 3.38Å; I25-I29 PolarHBondContact O-N 2.98Å; W26-I29 PolarHBondContact O-N 3.49Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 2.83Å; I29-D32 PolarHBondContact O-N 3.29Å; I29-E33 HydrophobicContact CG2-CG 4.4Å; I29-E33 WeakPolarHBondContact O-CG 3.39Å; I29-E33 PolarHBondContact O-N 2.9Å
30A77.8Confident78.2Confident4 Ų467.7 Ų67.73%0.03332%0.322CS..Hα-helixtrans-60.8-34.617900000113.1W26 H27 I28 L34 Q44 L48W26-A30 WeakPolarHBondContact O-CB 3.44Å; W26-A30 PolarHBondContact O-N 3.47Å; H27-A30 PolarHBondContact O-N 3.01Å; I28-A30 PolarHBondContact O-N 3.16Å; A30-L34 WeakPolarHBondContact O-CG 3.16Å; A30-L34 PolarHBondContact O-N 2.96Å; A30-Q44 PolarHBondContact O-NE2 3.29Å; A30-L48 HydrophobicContact CB-CD1 4.21Å
31F76.9Confident76.9Confident7 Ų768.6 Ų68.63%0.03133%0.328CS..Hα-helixtrans-75.8-30.3173.4-74.4-60.7000113.2H27 I28 I29 L34 K35 L48 Y117 L128 C131H27-F31 AromaticContact ND1-CE2 3.86Å; H27-F31 WeakPolarHBondContact O-CD2 3.34Å; H27-F31 PolarHBondContact O-N 3.29Å; H27-F31 VanDerWaalsContact O-N 3.12Å; I28-F31 PolarHBondContact O-N 3.16Å; I29-F31 VanDerWaalsContact C-N 3.27Å; I29-F31 PolarHBondContact O-N 2.83Å; F31-L34 HydrophobicContact CD1-CD1 3.95Å; F31-L34 HydrophobicContact CE1-CD1 4.43Å; F31-L34 WeakPolarHBondContact O-CB 3.47Å; F31-L34 PolarHBondContact O-N 3.08Å; F31-K35 PolarHBondContact O-N 3.34Å; F31-K35 VanDerWaalsContact O-N 3.11Å; F31-L48 HydrophobicContact CE1-CD2 4.42Å; F31-L48 HydrophobicContact CZ-CD2 4.05Å; F31-Y117 AromaticContact CZ-CE1 3.99Å; F31-Y117 HydrophobicContact CZ-CE1 3.99Å; F31-Y117 HydrophobicContact CZ-CE2 4.2Å; F31-Y117 AromaticContact CZ-CZ 3.79Å; F31-L128 HydrophobicContact CB-CD1 4.36Å; F31-L128 HydrophobicContact CD1-CD1 3.82Å; F31-C131 HydrophobicContact CE1-CB 4.31Å; F31-C131 HydrophobicContact CZ-CB 4.35Å
32D82.4Confident75.5Confident72 Ų7271.9 Ų71.939%0.38535%0.345SS..Hα-helixtrans-72.3-37.2175.2-15766000112I28 I29 L34 K35 T36 Q132I28-D32 PolarHBondContact O-N 2.95Å; I29-D32 PolarHBondContact O-N 3.29Å; D32-L34 VanDerWaalsContact C-N 3.32Å; D32-L34 PolarHBondContact O-N 3.27Å; D32-K35 WeakPolarHBondContact O-CB 3.32Å; D32-K35 PolarHBondContact O-N 3.14Å; D32-T36 PolarHBondContact O-N 2.91Å; D32-T36 PolarHBondContact O-OG1 3.03Å; D32-Q132 PolarHBondContact OD1-NE2 3.46Å; D32-Q132 VanDerWaalsContact OD1-NE2 3.14Å
33E79.8Confident74.4Confident72 Ų7269 Ų6934%0.33634%0.335SS..Hα-helixtrans-61.7-38170.4-73.7-177.7171.800112.5I29 K35 T36 D37 Y38 Q44I29-E33 HydrophobicContact CG2-CG 4.4Å; I29-E33 WeakPolarHBondContact O-CG 3.39Å; I29-E33 PolarHBondContact O-N 2.9Å; E33-K35 VanDerWaalsContact C-N 3.35Å; E33-T36 WeakPolarHBondContact CA-OG1 3.14Å; E33-T36 PolarHBondContact O-OG1 3.31Å; E33-D37 PolarHBondContact O-N 3.19Å; E33-Y38 PolarHBondContact O-N 3.46Å; E33-Y38 VanDerWaalsContact O-N 3.14Å; E33-Q44 PolarHBondContact OE2-NE2 2.95Å
34L73.4Confident73.3Confident21 Ų2166.1 Ų66.111%0.1132%0.323CS..Hα-helixtrans-65.1-39.2173.7-84.3161.8000111.8A30 F31 D32 T36 D37 P41 Q44 I122 L128A30-L34 WeakPolarHBondContact O-CG 3.16Å; A30-L34 PolarHBondContact O-N 2.96Å; F31-L34 HydrophobicContact CD1-CD1 3.95Å; F31-L34 HydrophobicContact CE1-CD1 4.43Å; F31-L34 WeakPolarHBondContact O-CB 3.47Å; F31-L34 PolarHBondContact O-N 3.08Å; D32-L34 VanDerWaalsContact C-N 3.32Å; D32-L34 PolarHBondContact O-N 3.27Å; L34-T36 VanDerWaalsContact C-N 3.34Å; L34-D37 PolarHBondContact O-N 3.4Å; L34-P41 HydrophobicContact CD2-CB 4.04Å; L34-Q44 HydrophobicContact CD1-CB 4.21Å; L34-Q44 HydrophobicContact CD1-CG 3.73Å; L34-Q44 HydrophobicContact CD2-CB 3.87Å; L34-Q44 HydrophobicContact CD2-CG 4.14Å; L34-Q44 HydrophobicContact CG-CB 4.09Å; L34-Q44 HydrophobicContact CG-CG 3.77Å; L34-I122 HydrophobicContact CD1-CG2 4.28Å; L34-L128 HydrophobicContact CB-CD1 4.44Å
35K74.8Confident72.1Confident122 Ų12266.3 Ų66.353%0.5332%0.324SS..Hα-helixtrans-70.2-32.7-179.9-173.7-179.4177.2-177.30112.8F31 D32 E33 D37 L128F31-K35 PolarHBondContact O-N 3.34Å; F31-K35 VanDerWaalsContact O-N 3.11Å; D32-K35 WeakPolarHBondContact O-CB 3.32Å; D32-K35 PolarHBondContact O-N 3.14Å; E33-K35 VanDerWaalsContact C-N 3.35Å; K35-D37 PolarHBondContact O-N 3.5Å; K35-L128 HydrophobicContact CB-CD2 3.78Å; K35-L128 HydrophobicContact CG-CD2 4.19Å
36T76.1Confident70.8Confident87 Ų8766.3 Ų66.353%0.53433%0.325SS..THydrogen-bonded Turntrans-87.28.7179.450.20000112.8D32 E33 L34 Y38D32-T36 PolarHBondContact O-N 2.91Å; D32-T36 PolarHBondContact O-OG1 3.03Å; E33-T36 WeakPolarHBondContact CA-OG1 3.14Å; E33-T36 PolarHBondContact O-OG1 3.31Å; L34-T36 VanDerWaalsContact C-N 3.34Å; T36-Y38 PolarHBondContact O-N 3.44Å; T36-Y38 VanDerWaalsContact O-N 3.09Å
37D67.3Low69.6Low127 Ų12765 Ų6568%0.67933%0.326SS*.THydrogen-bonded Turntrans53.824.1-179-92.2-54.8000113.8E33 L34 K35 K39E33-D37 PolarHBondContact O-N 3.19Å; L34-D37 PolarHBondContact O-N 3.4Å; K35-D37 PolarHBondContact O-N 3.5Å; D37-K39 PolarHBondContact O-N 3.3Å
38Y58.6Low68.4Low201 Ų20164.3 Ų64.379%0.78832%0.323SS*.  trans-74.1-17.5-175-149.3-93.8000112.6E33 T36E33-Y38 PolarHBondContact O-N 3.46Å; E33-Y38 VanDerWaalsContact O-N 3.14Å; T36-Y38 PolarHBondContact O-N 3.44Å; T36-Y38 VanDerWaalsContact O-N 3.09Å
39K61.4Low67Low79 Ų7964.2 Ų64.234%0.34332%0.323SS..SBendtrans-148.4146.5-174.8-170161.3166.6-158.10111.8D37D37-K39 PolarHBondContact O-N 3.3Å
40N66.9Low65.2Low106 Ų10663.2 Ų63.257%0.56732%0.322SS*.  trans-61.2135.1179.2-76.1-36.4000111.6I42 D43 Q44N40-I42 PolarHBondContact O-N 2.84Å; N40-D43 HydrophobicContact CB-CB 4.33Å; N40-D43 WeakPolarHBondContact CB-OD2 3.38Å; N40-D43 PolarHBondContact O-N 3.5Å; N40-D43 VanDerWaalsContact O-N 3.14Å; N40-Q44 PolarHBondContact O-N 3.48Å
41P59.7Low63.5Low19 Ų1965.7 Ų65.712%0.12334%0.337CS..Hα-helixtrans-62.9-30.1-178.126.8-37.6000112.9L34 C45 M123L34-P41 HydrophobicContact CD2-CB 4.04Å; P41-C45 VanDerWaalsContact O-CB 3.29Å; P41-C45 WeakPolarHBondContact O-CB 3.47Å; P41-C45 PolarHBondContact O-N 3.12Å; P41-C45 PolarHBondContact O-SG 3.49Å; P41-M123 HydrophobicContact CB-CE 4.31Å; P41-M123 HydrophobicContact CB-CG 3.79Å; P41-M123 HydrophobicContact CB-SD 3.92Å; P41-M123 HydrophobicContact CG-CE 3.77Å; P41-M123 HydrophobicContact CG-CG 4.07Å; P41-M123 HydrophobicContact CG-SD 3.48Å; P41-M123 WeakPolarHBondContact CG-SD 3.48Å
42I60Low61.9Low102 Ų10271.1 Ų71.152%0.52337%0.365SS..Hα-helixtrans-70-43.7177.3-59.5170.3000110.4N40 C45 N46 P119N40-I42 PolarHBondContact O-N 2.84Å; I42-C45 PolarHBondContact O-N 3.31Å; I42-N46 VanDerWaalsContact O-CB 3.32Å; I42-N46 WeakPolarHBondContact O-CB 3.36Å; I42-N46 PolarHBondContact O-N 3.44Å; I42-N46 PolarHBondContact O-ND2 3.24Å; I42-N46 VanDerWaalsContact O-ND2 3.17Å; I42-P119 HydrophobicContact CG1-CB 4.43Å
43D61.8Low59.7Low78 Ų7876.1 Ų76.142%0.41739%0.386SS..Hα-helixtrans-70.8-35.1179.6-65.7-38.9000111.8N40 T47N40-D43 HydrophobicContact CB-CB 4.33Å; N40-D43 WeakPolarHBondContact CB-OD2 3.38Å; N40-D43 PolarHBondContact O-N 3.5Å; N40-D43 VanDerWaalsContact O-N 3.14Å; D43-T47 WeakPolarHBondContact O-CB 2.98Å; D43-T47 PolarHBondContact O-N 2.85Å; D43-T47 PolarHBondContact O-OG1 3.24Å
44Q60.7Low57.6Low5 Ų582.4 Ų82.42%0.02341%0.412CS..Hα-helixtrans-68.8-44.5173.4-152.985.8-42.500111A30 E33 L34 N40 N46 T47 L48A30-Q44 PolarHBondContact O-NE2 3.29Å; E33-Q44 PolarHBondContact OE2-NE2 2.95Å; L34-Q44 HydrophobicContact CD1-CB 4.21Å; L34-Q44 HydrophobicContact CD1-CG 3.73Å; L34-Q44 HydrophobicContact CD2-CB 3.87Å; L34-Q44 HydrophobicContact CD2-CG 4.14Å; L34-Q44 HydrophobicContact CG-CB 4.09Å; L34-Q44 HydrophobicContact CG-CG 3.77Å; N40-Q44 PolarHBondContact O-N 3.48Å; Q44-N46 VanDerWaalsContact C-N 3.34Å; Q44-N46 PolarHBondContact O-N 3.32Å; Q44-T47 WeakPolarHBondContact O-CB 3.4Å; Q44-T47 PolarHBondContact O-N 2.9Å; Q44-T47 VanDerWaalsContact O-N 3.08Å; Q44-L48 HydrophobicContact CG-CD1 3.86Å; Q44-L48 WeakPolarHBondContact O-CD1 3.5Å; Q44-L48 PolarHBondContact O-N 3.47Å
45C59.4Low55.9Low8 Ų886.4 Ų86.45%0.05444%0.437CS..Hα-helixtrans-64-36.9175.4-71.90000112.3P41 I42 T47 L48 N49 P119P41-C45 VanDerWaalsContact O-CB 3.29Å; P41-C45 WeakPolarHBondContact O-CB 3.47Å; P41-C45 PolarHBondContact O-N 3.12Å; P41-C45 PolarHBondContact O-SG 3.49Å; I42-C45 PolarHBondContact O-N 3.31Å; C45-T47 VanDerWaalsContact C-N 3.29Å; C45-T47 PolarHBondContact O-N 3.4Å; C45-L48 PolarHBondContact O-N 3.03Å; C45-N49 WeakPolarHBondContact O-CA 3.04Å; C45-N49 VanDerWaalsContact O-CB 3.25Å; C45-N49 WeakPolarHBondContact O-CB 3.28Å; C45-N49 PolarHBondContact O-N 3.45Å; C45-P119 HydrophobicContact CB-CB 4.09Å; C45-P119 VanDerWaalsContact SG-CA 3.59Å
46N60.1Low54Low75 Ų7589.9 Ų89.940%0.40145%0.452SS..Hα-helixtrans-68.4-27.3172.7-73.2-27.6000112.7I42 Q44 N49 P50I42-N46 VanDerWaalsContact O-CB 3.32Å; I42-N46 WeakPolarHBondContact O-CB 3.36Å; I42-N46 PolarHBondContact O-N 3.44Å; I42-N46 PolarHBondContact O-ND2 3.24Å; I42-N46 VanDerWaalsContact O-ND2 3.17Å; Q44-N46 VanDerWaalsContact C-N 3.34Å; Q44-N46 PolarHBondContact O-N 3.32Å; N46-N49 CarbonylContact O-C 3.32Å; N46-N49 VanDerWaalsContact O-C 3.32Å; N46-P50 WeakPolarHBondContact O-CA 3.49Å
47T56.8Low52Low59 Ų5994.7 Ų94.736%0.36247%0.466SS..Hα-helixtrans-77.3-44.2173.6-55.40000111.7W26 D43 Q44 C45 N49W26-T47 HydrophobicContact CH2-CG2 4.16Å; W26-T47 HydrophobicContact CZ2-CG2 4.31Å; D43-T47 WeakPolarHBondContact O-CB 2.98Å; D43-T47 PolarHBondContact O-N 2.85Å; D43-T47 PolarHBondContact O-OG1 3.24Å; Q44-T47 WeakPolarHBondContact O-CB 3.4Å; Q44-T47 PolarHBondContact O-N 2.9Å; Q44-T47 VanDerWaalsContact O-N 3.08Å; C45-T47 VanDerWaalsContact C-N 3.29Å; C45-T47 PolarHBondContact O-N 3.4Å; T47-N49 VanDerWaalsContact C-N 3.31Å
48L53.4Low50.9Low5 Ų595.5 Ų95.53%0.02647%0.469CS..Hα-helixtrans-70.3-30.3176.7-9077.3000112.2W26 A30 F31 Q44 C45 V68 Y117W26-L48 HydrophobicContact CH2-CD1 4.31Å; W26-L48 HydrophobicContact CZ3-CD1 4.47Å; A30-L48 HydrophobicContact CB-CD1 4.21Å; F31-L48 HydrophobicContact CE1-CD2 4.42Å; F31-L48 HydrophobicContact CZ-CD2 4.05Å; Q44-L48 HydrophobicContact CG-CD1 3.86Å; Q44-L48 WeakPolarHBondContact O-CD1 3.5Å; Q44-L48 PolarHBondContact O-N 3.47Å; C45-L48 PolarHBondContact O-N 3.03Å; L48-V68 HydrophobicContact CB-CG2 4.29Å; L48-V68 WeakPolarHBondContact O-CG2 3.32Å; L48-Y117 HydrophobicContact CD2-CD2 4.11Å; L48-Y117 HydrophobicContact CD2-CE2 4.32Å
49N55.6Low49.8Very low13 Ų1395.9 Ų95.97%0.0747%0.474CS..SBendtrans-131.783.7-179.8-173.359.6000108.4C45 N46 T47 T51 P114 G115C45-N49 WeakPolarHBondContact O-CA 3.04Å; C45-N49 VanDerWaalsContact O-CB 3.25Å; C45-N49 WeakPolarHBondContact O-CB 3.28Å; C45-N49 PolarHBondContact O-N 3.45Å; N46-N49 CarbonylContact O-C 3.32Å; N46-N49 VanDerWaalsContact O-C 3.32Å; T47-N49 VanDerWaalsContact C-N 3.31Å; N49-T51 VanDerWaalsContact C-N 3.27Å; N49-T51 PolarHBondContact O-N 2.92Å; N49-P114 PolarHBondContact ND2-O 2.75Å; N49-P114 PolarHBondContact OD1-O 3.09Å; N49-G115 WeakPolarHBondContact ND2-CA 3.36Å; N49-G115 VanDerWaalsContact OD1-CA 3.29Å; N49-G115 WeakPolarHBondContact OD1-CA 3.13Å
50P46.5Very low48.7Very low66 Ų66103.6 Ų103.643%0.42950%0.501SS..  trans-62.599.2171.424.9-31.7000107.4N46 I52N46-P50 WeakPolarHBondContact O-CA 3.49Å; P50-I52 PolarHBondContact O-N 2.76Å
51T42.9Very low47.1Very low55 Ų55103.1 Ų103.134%0.33750%0.502SS..  trans-54.1134.5170.814.90000107.8N49 E53N49-T51 VanDerWaalsContact C-N 3.27Å; N49-T51 PolarHBondContact O-N 2.92Å; T51-E53 PolarHBondContact O-N 3.41Å
52I41.5Very low45.8Very low122 Ų122112.3 Ų112.363%0.62654%0.54SS*.THydrogen-bonded Turntrans-5985169-63-171.3000107.8P50 V55P50-I52 PolarHBondContact O-N 2.76Å; I52-V55 HydrophobicContact CG2-CB 4.35Å; I52-V55 HydrophobicContact CG2-CG2 4.48Å
53E37.5Very low44.6Very low177 Ų177113.5 Ų113.583%0.82755%0.546SS*.THydrogen-bonded Turntrans-133.1-18.6160.5-76.5-147.1148.400112.7T51T51-E53 PolarHBondContact O-N 3.41Å
54K34.7Very low43.4Very low204 Ų204113.4 Ų113.489%0.88756%0.556SS**SBendtrans-101.120.4170.2-60.6-156.3-179.9-175.50114.5
55V38.4Very low42.4Very low104 Ų104118.1 Ų118.163%0.6358%0.581SS**  trans-100.844.4173.9-162.20000111.1I52I52-V55 HydrophobicContact CG2-CB 4.35Å; I52-V55 HydrophobicContact CG2-CG2 4.48Å
56K35.6Very low41.6Very low195 Ų195122 Ų12285%0.84860%0.596SS**SBendtrans-124.237.7168-153178.7-177.4177.80113.1
57K34Very low40.9Very low189 Ų189120.8 Ų120.882%0.82259%0.59SS**SBendtrans-175.994.1155.7-113174.7179.6-1800108.7
58I42.8Very low40.3Very low144 Ų144118.4 Ų118.474%0.73858%0.575SS**  trans174.685.5148.3-84.6147.3000105R60I58-R60 VanDerWaalsContact C-N 3.27Å; I58-R60 PolarHBondContact O-N 2.88Å; I58-R60 VanDerWaalsContact O-N 3.14Å
59K36.4Very low40.3Very low209 Ų209121 Ų12191%0.90959%0.589SS**THydrogen-bonded Turntrans-84.367.5177-165.7-174.3-156.8-174.80107.8
60R37.8Very low40.5Very low241 Ų241121.2 Ų121.291%0.90959%0.591SS**THydrogen-bonded Turntrans-170.5-0.2165.9-88.7-127.6176.5138.21.2117.2I58I58-R60 VanDerWaalsContact C-N 3.27Å; I58-R60 PolarHBondContact O-N 2.88Å; I58-R60 VanDerWaalsContact O-N 3.14Å
61V34.5Very low41.5Very low95 Ų95118.7 Ų118.758%0.57657%0.573SS**  trans-126.980.4164.8-175.80000107.3I63V61-I63 HydrophobicContact CG1-CB 3.96Å; V61-I63 PolarHBondContact O-N 3.4Å
62K31.5Very low42.9Very low213 Ų213117.7 Ų117.793%0.92656%0.563SS**  trans-78.234.2172-150.7-178-171.2-172.80110.7A64K62-A64 VanDerWaalsContact C-N 3.35Å
63I35.4Very low44.6Very low126 Ų126117.2 Ų117.265%0.64656%0.561SS**  trans-108.954.5169.1-57.9166000104.7V61 I65V61-I63 HydrophobicContact CG1-CB 3.96Å; V61-I63 PolarHBondContact O-N 3.4Å; I63-I65 HydrophobicContact CG2-CD1 3.93Å; I63-I65 HydrophobicContact CG2-CG1 3.77Å; I63-I65 PolarHBondContact O-N 2.98Å
64A36.3Very low46.6Very low77 Ų77110.1 Ų110.164%0.63653%0.529SS*.  trans-79.485.6172.200000106.2K62 K66K62-A64 VanDerWaalsContact C-N 3.35Å; A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.27Å
65I39.8Very low48.8Very low104 Ų104100.4 Ų100.453%0.53349%0.487SS..  trans-60.297.3-179.9-66.7163.9000107.5I63 L67 P70I63-I65 HydrophobicContact CG2-CD1 3.93Å; I63-I65 HydrophobicContact CG2-CG1 3.77Å; I63-I65 PolarHBondContact O-N 2.98Å; I65-L67 PolarHBondContact O-N 3.26Å; I65-P70 HydrophobicContact CG2-CB 4.14Å; I65-P70 HydrophobicContact CG2-CG 3.67Å
66K42.3Very low50.9Low88 Ų88101.3 Ų101.338%0.38348%0.483SS..  trans-73.7107.7174.8-171.4170.4-173.4-179.90105.8A64 V68 L69 P70A64-K66 VanDerWaalsContact C-N 3.34Å; A64-K66 PolarHBondContact O-N 3.27Å; K66-V68 VanDerWaalsContact C-N 3.26Å; K66-V68 PolarHBondContact O-N 2.88Å; K66-V68 VanDerWaalsContact O-N 3.08Å; K66-L69 HydrophobicContact CB-CB 3.85Å; K66-L69 HydrophobicContact CD-CB 4.21Å; K66-L69 HydrophobicContact CD-CD1 4.06Å; K66-L69 HydrophobicContact CD-CD2 4.24Å; K66-L69 HydrophobicContact CD-CG 4.41Å; K66-L69 HydrophobicContact CG-CB 4.07Å; K66-L69 WeakPolarHBondContact O-CA 3.39Å; K66-L69 WeakPolarHBondContact O-CB 3.43Å; K66-L69 PolarHBondContact O-N 3.42Å; K66-P70 WeakPolarHBondContact O-CD 3.42Å; K66-P70 VanDerWaalsContact O-CG 3.28Å; K66-P70 WeakPolarHBondContact O-CG 3.39Å
67L45.3Very low53.3Low51 Ų5197.3 Ų97.327%0.26747%0.465SS..THydrogen-bonded Turntrans-59.5-22.2-159-133.485.1000116.7W26 I65 P70W26-L67 HydrophobicContact CE3-CD2 4.21Å; W26-L67 HydrophobicContact CH2-CD2 3.23Å; W26-L67 HydrophobicContact CZ2-CD2 4.04Å; W26-L67 HydrophobicContact CZ3-CD2 3.34Å; I65-L67 PolarHBondContact O-N 3.26Å; L67-P70 WeakPolarHBondContact O-CD 3.28Å; L67-P70 WeakPolarHBondContact O-CG 3.45Å
68V45.1Very low55.5Low8 Ų888.3 Ų88.35%0.04843%0.426CS..THydrogen-bonded Turntrans-92.5-21.9171.8160.70000113.8H27 L48 K66 Y72 L116 Y117H27-V68 VanDerWaalsContact CE1-CG2 3.5Å; H27-V68 WeakPolarHBondContact CE1-CG2 3.5Å; L48-V68 HydrophobicContact CB-CG2 4.29Å; L48-V68 WeakPolarHBondContact O-CG2 3.32Å; K66-V68 VanDerWaalsContact C-N 3.26Å; K66-V68 PolarHBondContact O-N 2.88Å; K66-V68 VanDerWaalsContact O-N 3.08Å; V68-Y72 HydrophobicContact CG1-CE2 4.17Å; V68-Y72 WeakPolarHBondContact O-CD2 3.18Å; V68-Y72 WeakPolarHBondContact O-CE2 3.28Å; V68-L116 HydrophobicContact CB-CB 4.39Å; V68-L116 HydrophobicContact CG1-CB 3.5Å; V68-L116 VanDerWaalsContact CG1-CB 3.5Å; V68-L116 HydrophobicContact CG1-CD1 3.86Å; V68-L116 HydrophobicContact CG1-CD2 3.48Å; V68-L116 VanDerWaalsContact CG1-CD2 3.48Å; V68-L116 HydrophobicContact CG1-CG 3.74Å; V68-Y117 HydrophobicContact CG1-CE2 4.16Å; V68-Y117 HydrophobicContact CG2-CD2 3.97Å; V68-Y117 HydrophobicContact CG2-CE2 3.75Å
69L52.2Low57.5Low60 Ų6082 Ų8231%0.31439%0.394SS..Hα-helixtrans-81.3-15.2175.2-124.888.8000117.2K66 L73K66-L69 HydrophobicContact CB-CB 3.85Å; K66-L69 HydrophobicContact CD-CB 4.21Å; K66-L69 HydrophobicContact CD-CD1 4.06Å; K66-L69 HydrophobicContact CD-CD2 4.24Å; K66-L69 HydrophobicContact CD-CG 4.41Å; K66-L69 HydrophobicContact CG-CB 4.07Å; K66-L69 WeakPolarHBondContact O-CA 3.39Å; K66-L69 WeakPolarHBondContact O-CB 3.43Å; K66-L69 PolarHBondContact O-N 3.42Å; L69-L73 WeakPolarHBondContact O-CB 3.17Å; L69-L73 PolarHBondContact O-N 3.08Å; L69-L73 VanDerWaalsContact O-N 3.16Å
70P59.3Low59.8Low17 Ų1775 Ų7511%0.1137%0.369CS..Hα-helixtrans-75.2-35.6-173.1-223.5000109.5I65 K66 L67 L73 I74I65-P70 HydrophobicContact CG2-CB 4.14Å; I65-P70 HydrophobicContact CG2-CG 3.67Å; K66-P70 WeakPolarHBondContact O-CD 3.42Å; K66-P70 VanDerWaalsContact O-CG 3.28Å; K66-P70 WeakPolarHBondContact O-CG 3.39Å; L67-P70 WeakPolarHBondContact O-CD 3.28Å; L67-P70 WeakPolarHBondContact O-CG 3.45Å; P70-L73 PolarHBondContact O-N 2.85Å; P70-I74 HydrophobicContact CB-CD1 4.33Å; P70-I74 VanDerWaalsContact O-CB 3.31Å; P70-I74 WeakPolarHBondContact O-CB 3.49Å; P70-I74 WeakPolarHBondContact O-CD1 3.39Å; P70-I74 WeakPolarHBondContact O-CG1 3.46Å; P70-I74 PolarHBondContact O-N 2.81Å
71E69.3Low62Low13 Ų1364.5 Ų64.56%0.06133%0.331CS..Hα-helixtrans-58.2-52.4176.9-170.3-175.1152.100110.9L20 L73 I74 H75 Y142L20-E71 HydrophobicContact CD2-CB 4.18Å; L20-E71 HydrophobicContact CD2-CG 3.75Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.46Å; E71-I74 PolarHBondContact O-N 3.37Å; E71-H75 WeakPolarHBondContact O-CB 3.48Å; E71-H75 PolarHBondContact O-N 3.26Å; E71-Y142 HydrophobicContact CG-CE2 4.32Å; E71-Y142 WeakPolarHBondContact CG-OH 2.96Å; E71-Y142 WeakPolarHBondContact OE1-CE2 3.44Å; E71-Y142 PolarHBondContact OE1-OH 3.37Å
72Y72Confident64.4Low34 Ų3460 Ų6013%0.13330%0.304CS..Hα-helixtrans-60.2-40.1176.9-63.3-66.2000112.7V68 F76 H101 L116V68-Y72 HydrophobicContact CG1-CE2 4.17Å; V68-Y72 WeakPolarHBondContact O-CD2 3.18Å; V68-Y72 WeakPolarHBondContact O-CE2 3.28Å; Y72-F76 VanDerWaalsContact O-CB 3.28Å; Y72-F76 WeakPolarHBondContact O-CB 3.25Å; Y72-F76 PolarHBondContact O-N 3.46Å; Y72-H101 HydrophobicContact CD1-CB 3.44Å; Y72-H101 VanDerWaalsContact CD1-CB 3.44Å; Y72-H101 AromaticContact CD1-CD2 3.64Å; Y72-H101 AromaticContact CD1-CE1 3.96Å; Y72-H101 AromaticContact CD1-CG 3.27Å; Y72-H101 AromaticContact CD1-ND1 3.55Å; Y72-H101 HydrophobicContact CE1-CB 3.56Å; Y72-H101 AromaticContact CE1-CD2 3.17Å; Y72-H101 WeakPolarHBondContact CE1-CD2 3.37Å; Y72-H101 AromaticContact CE1-CG 3.3Å; Y72-H101 AromaticContact CE1-ND1 3.94Å; Y72-H101 AromaticContact CE1-NE2 3.69Å; Y72-L116 HydrophobicContact CE2-CD1 4.43Å; Y72-L116 HydrophobicContact CE2-CD2 4.45Å
73L76.1Confident67Low112 Ų11254.6 Ų54.659%0.58628%0.284SS*.Hα-helixtrans-72.1-44.6-178.2-172.1147.1000111.9L69 P70 E71 H75 F76 F77L69-L73 WeakPolarHBondContact O-CB 3.17Å; L69-L73 PolarHBondContact O-N 3.08Å; L69-L73 VanDerWaalsContact O-N 3.16Å; P70-L73 PolarHBondContact O-N 2.85Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.46Å; L73-H75 VanDerWaalsContact C-N 3.3Å; L73-F76 PolarHBondContact O-N 2.93Å; L73-F77 VanDerWaalsContact O-CB 3.25Å; L73-F77 WeakPolarHBondContact O-CB 3.31Å; L73-F77 PolarHBondContact O-N 2.96Å
74I79.5Confident69.3Low29 Ų2952.9 Ų52.915%0.14928%0.282CS..Hα-helixtrans-64.1-40.6175.5-64.3162.6000109.2L16 L20 P70 E71 F77 F78L16-I74 HydrophobicContact CB-CG2 3.99Å; L16-I74 HydrophobicContact CD1-CG2 4.13Å; L16-I74 HydrophobicContact CD2-CG2 4.13Å; L16-I74 HydrophobicContact CG-CG2 4.33Å; L20-I74 HydrophobicContact CD1-CG2 3.9Å; L20-I74 HydrophobicContact CD2-CB 4.07Å; L20-I74 HydrophobicContact CD2-CD1 4.33Å; L20-I74 HydrophobicContact CD2-CG2 4.06Å; L20-I74 HydrophobicContact CG-CG2 3.97Å; P70-I74 HydrophobicContact CB-CD1 4.33Å; P70-I74 VanDerWaalsContact O-CB 3.31Å; P70-I74 WeakPolarHBondContact O-CB 3.49Å; P70-I74 WeakPolarHBondContact O-CD1 3.39Å; P70-I74 WeakPolarHBondContact O-CG1 3.46Å; P70-I74 PolarHBondContact O-N 2.81Å; E71-I74 PolarHBondContact O-N 3.37Å; I74-F77 PolarHBondContact O-N 3.37Å; I74-F78 WeakPolarHBondContact O-CD1 3.38Å; I74-F78 PolarHBondContact O-N 3.28Å
75H81.8Confident71.5Confident0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-63-46.1177.4-166.381.1000112.8E71 L73 F78 C79 N94 L97 H101 Y142E71-H75 WeakPolarHBondContact O-CB 3.48Å; E71-H75 PolarHBondContact O-N 3.26Å; L73-H75 VanDerWaalsContact C-N 3.3Å; H75-F78 VanDerWaalsContact CA-CD1 3.42Å; H75-F78 HydrophobicContact CB-CD1 4.45Å; H75-F78 HydrophobicContact CB-CE1 3.92Å; H75-F78 HydrophobicContact CB-CZ 4.47Å; H75-F78 AromaticContact CE1-CE1 3.79Å; H75-F78 AromaticContact CE1-CE2 3.9Å; H75-F78 AromaticContact CE1-CZ 3.1Å; H75-F78 WeakPolarHBondContact CE1-CZ 3.49Å; H75-F78 AromaticContact CG-CE1 3.66Å; H75-F78 AromaticContact CG-CZ 3.73Å; H75-F78 AromaticContact ND1-CE1 3.07Å; H75-F78 WeakPolarHBondContact ND1-CE1 3.09Å; H75-F78 AromaticContact ND1-CE2 3.99Å; H75-F78 AromaticContact ND1-CZ 2.91Å; H75-F78 WeakPolarHBondContact ND1-CZ 3.11Å; H75-F78 WeakPolarHBondContact O-CD1 3.33Å; H75-F78 WeakPolarHBondContact O-CG 3.42Å; H75-C79 PolarHBondContact O-N 3.26Å; H75-C79 VanDerWaalsContact O-N 3.14Å; H75-C79 PolarHBondContact O-SG 3.49Å; H75-N94 PolarHBondContact CE1-OD1 3.11Å; H75-L97 WeakPolarHBondContact CE1-CD2 3.31Å; H75-H101 AromaticContact CD2-ND1 3.69Å; H75-H101 AromaticContact CG-ND1 4Å; H75-Y142 AromaticContact ND1-CE1 3.85Å
76F82.8Confident73.5Confident123 Ų12347.8 Ų47.854%0.53926%0.256SS..Hα-helixtrans-63-43.6174.1-176.6-96.3000111.9Y72 L73 F78 C79 V80 L98Y72-F76 VanDerWaalsContact O-CB 3.28Å; Y72-F76 WeakPolarHBondContact O-CB 3.25Å; Y72-F76 PolarHBondContact O-N 3.46Å; L73-F76 PolarHBondContact O-N 2.93Å; F76-F78 PolarHBondContact O-N 3.34Å; F76-C79 PolarHBondContact O-N 3.32Å; F76-V80 HydrophobicContact CD1-CG2 4.18Å; F76-V80 HydrophobicContact CE1-CG2 3.76Å; F76-V80 HydrophobicContact CE2-CG2 4.5Å; F76-V80 HydrophobicContact CZ-CG2 3.93Å; F76-V80 WeakPolarHBondContact O-CG2 3.48Å; F76-V80 PolarHBondContact O-N 3.43Å; F76-L98 HydrophobicContact CB-CD1 4.44Å; F76-L98 HydrophobicContact CD2-CD1 4.09Å
77F84.2Confident75.4Confident110 Ų11046 Ų4648%0.48225%0.249SC..Hα-helixtrans-59.1-47.3179.6176.5-100.7000112.1L12 L16 L73 I74 C79 V80 M81L12-F77 HydrophobicContact CD2-CE1 4.18Å; L16-F77 HydrophobicContact CD1-CD1 4.02Å; L16-F77 HydrophobicContact CD1-CE1 4.24Å; L73-F77 VanDerWaalsContact O-CB 3.25Å; L73-F77 WeakPolarHBondContact O-CB 3.31Å; L73-F77 PolarHBondContact O-N 2.96Å; I74-F77 PolarHBondContact O-N 3.37Å; F77-C79 VanDerWaalsContact C-N 3.34Å; F77-C79 PolarHBondContact O-N 3.12Å; F77-V80 PolarHBondContact O-N 3.36Å; F77-M81 PolarHBondContact O-N 2.87Å
78F81.9Confident77.2Confident1 Ų151.2 Ų51.20%0.00427%0.265CS..Hα-helixtrans-70.3-32.2179.378.5-119.4000112.2L20 I74 H75 F76 V80 M81 F82 N94 Y149L20-F78 HydrophobicContact CD1-CD1 4.35Å; L20-F78 HydrophobicContact CD1-CE1 3.91Å; I74-F78 WeakPolarHBondContact O-CD1 3.38Å; I74-F78 PolarHBondContact O-N 3.28Å; H75-F78 VanDerWaalsContact CA-CD1 3.42Å; H75-F78 HydrophobicContact CB-CD1 4.45Å; H75-F78 HydrophobicContact CB-CE1 3.92Å; H75-F78 HydrophobicContact CB-CZ 4.47Å; H75-F78 AromaticContact CE1-CE1 3.79Å; H75-F78 AromaticContact CE1-CE2 3.9Å; H75-F78 AromaticContact CE1-CZ 3.1Å; H75-F78 WeakPolarHBondContact CE1-CZ 3.49Å; H75-F78 AromaticContact CG-CE1 3.66Å; H75-F78 AromaticContact CG-CZ 3.73Å; H75-F78 AromaticContact ND1-CE1 3.07Å; H75-F78 WeakPolarHBondContact ND1-CE1 3.09Å; H75-F78 AromaticContact ND1-CE2 3.99Å; H75-F78 AromaticContact ND1-CZ 2.91Å; H75-F78 WeakPolarHBondContact ND1-CZ 3.11Å; H75-F78 WeakPolarHBondContact O-CD1 3.33Å; H75-F78 WeakPolarHBondContact O-CG 3.42Å; F76-F78 PolarHBondContact O-N 3.34Å; F78-V80 VanDerWaalsContact C-N 3.34Å; F78-M81 WeakPolarHBondContact O-CB 3.35Å; F78-M81 PolarHBondContact O-N 3.04Å; F78-F82 AromaticContact CD2-CD2 3.79Å; F78-F82 HydrophobicContact CD2-CD2 3.79Å; F78-F82 AromaticContact CD2-CE2 3.79Å; F78-F82 HydrophobicContact CD2-CE2 3.79Å; F78-F82 HydrophobicContact CE2-CD2 4.46Å; F78-F82 HydrophobicContact CE2-CE2 4.39Å; F78-F82 VanDerWaalsContact O-CD2 3.22Å; F78-F82 WeakPolarHBondContact O-CD2 3.11Å; F78-F82 PolarHBondContact O-N 3.16Å; F78-N94 HydrophobicContact CE2-CB 4.1Å; F78-N94 VanDerWaalsContact CE2-OD1 3.31Å; F78-N94 WeakPolarHBondContact CE2-OD1 3.47Å; F78-N94 WeakPolarHBondContact CZ-OD1 3.43Å; F78-Y149 VanDerWaalsContact CE2-OH 3.31Å; F78-Y149 WeakPolarHBondContact CE2-OH 3.48Å
79C84.2Confident79Confident10 Ų1056.2 Ų56.27%0.06829%0.291CS..Hα-helixtrans-63.2-41.5175.1-750000111.5H75 F76 F77 M81 F82 L83 L98H75-C79 PolarHBondContact O-N 3.26Å; H75-C79 VanDerWaalsContact O-N 3.14Å; H75-C79 PolarHBondContact O-SG 3.49Å; F76-C79 PolarHBondContact O-N 3.32Å; F77-C79 VanDerWaalsContact C-N 3.34Å; F77-C79 PolarHBondContact O-N 3.12Å; C79-M81 VanDerWaalsContact C-N 3.32Å; C79-F82 PolarHBondContact O-N 3.01Å; C79-L83 PolarHBondContact O-N 3.02Å; C79-L98 HydrophobicContact CB-CD1 4.3Å
80V84.9Confident80.5Confident62 Ų6253.3 Ų53.338%0.37628%0.276SS..Hα-helixtrans-64-40.2173.5173.70000110.8F76 F77 F78 L83 C84F76-V80 HydrophobicContact CD1-CG2 4.18Å; F76-V80 HydrophobicContact CE1-CG2 3.76Å; F76-V80 HydrophobicContact CE2-CG2 4.5Å; F76-V80 HydrophobicContact CZ-CG2 3.93Å; F76-V80 WeakPolarHBondContact O-CG2 3.48Å; F76-V80 PolarHBondContact O-N 3.43Å; F77-V80 PolarHBondContact O-N 3.36Å; F78-V80 VanDerWaalsContact C-N 3.34Å; V80-L83 WeakPolarHBondContact O-CB 3.17Å; V80-L83 PolarHBondContact O-N 3.09Å; V80-C84 PolarHBondContact O-N 2.83Å; V80-C84 PolarHBondContact O-SG 3.44Å; V80-C84 VanDerWaalsContact O-SG 3.4Å
81M84.5Confident81.7Confident22 Ų2253.5 Ų53.511%0.10828%0.275CS..Hα-helixtrans-63-42.8176.8-171178.665.100112.3C9 L12 A13 F77 F78 C79 L83 C84 A85C9-M81 HydrophobicContact CB-CE 3.96Å; C9-M81 HydrophobicContact CB-CG 4.17Å; C9-M81 HydrophobicContact CB-SD 4.21Å; C9-M81 VanDerWaalsContact O-CE 3.24Å; C9-M81 WeakPolarHBondContact O-CE 3.44Å; C9-M81 VanDerWaalsContact SG-CG 3.52Å; L12-M81 HydrophobicContact CB-CE 4.29Å; L12-M81 HydrophobicContact CD2-CE 3.78Å; L12-M81 HydrophobicContact CD2-SD 3.9Å; A13-M81 HydrophobicContact CB-CE 4.36Å; F77-M81 PolarHBondContact O-N 2.87Å; F78-M81 WeakPolarHBondContact O-CB 3.35Å; F78-M81 PolarHBondContact O-N 3.04Å; C79-M81 VanDerWaalsContact C-N 3.32Å; M81-L83 VanDerWaalsContact C-N 3.34Å; M81-C84 WeakPolarHBondContact O-CB 3.49Å; M81-C84 PolarHBondContact O-N 3.18Å; M81-A85 PolarHBondContact O-N 2.96Å
82F84.1Confident82.4Confident1 Ų159.2 Ų59.20%0.00430%0.301CS..Hα-helixtrans-68.2-31.5174.7-76-58.6000113.2Y10 A13 F78 C79 C84 A85 A86 E87 T90 Y149Y10-F82 AromaticContact CD1-CE1 3.83Å; Y10-F82 HydrophobicContact CD1-CE1 3.83Å; Y10-F82 HydrophobicContact CD1-CZ 4.15Å; Y10-F82 AromaticContact CE1-CE1 3.75Å; Y10-F82 HydrophobicContact CE1-CE1 3.75Å; Y10-F82 HydrophobicContact CE1-CZ 4.26Å; Y10-F82 HydrophobicContact CG-CE1 4.38Å; A13-F82 HydrophobicContact CB-CE2 3.9Å; A13-F82 HydrophobicContact CB-CZ 3.5Å; A13-F82 VanDerWaalsContact CB-CZ 3.5Å; F78-F82 AromaticContact CD2-CD2 3.79Å; F78-F82 HydrophobicContact CD2-CD2 3.79Å; F78-F82 AromaticContact CD2-CE2 3.79Å; F78-F82 HydrophobicContact CD2-CE2 3.79Å; F78-F82 HydrophobicContact CE2-CD2 4.46Å; F78-F82 HydrophobicContact CE2-CE2 4.39Å; F78-F82 VanDerWaalsContact O-CD2 3.22Å; F78-F82 WeakPolarHBondContact O-CD2 3.11Å; F78-F82 PolarHBondContact O-N 3.16Å; C79-F82 PolarHBondContact O-N 3.01Å; F82-C84 VanDerWaalsContact C-N 3.34Å; F82-A85 PolarHBondContact O-N 2.88Å; F82-A86 PolarHBondContact O-N 2.98Å; F82-E87 HydrophobicContact CD1-CB 4.23Å; F82-E87 PolarHBondContact O-N 2.99Å; F82-T90 WeakPolarHBondContact CD1-OG1 3.22Å; F82-Y149 HydrophobicContact CE2-CD1 4.38Å; F82-Y149 AromaticContact CE2-CE1 3.64Å; F82-Y149 HydrophobicContact CE2-CE1 3.64Å; F82-Y149 AromaticContact CE2-CZ 3.82Å; F82-Y149 AromaticContact CZ-CD1 3.87Å; F82-Y149 HydrophobicContact CZ-CD1 3.87Å; F82-Y149 AromaticContact CZ-CE1 3.58Å; F82-Y149 HydrophobicContact CZ-CE1 3.58Å
83L85.9Confident83Confident98 Ų9861.4 Ų61.451%0.51331%0.314SS..Hα-helixtrans-61-44.6170.7-171.579.9000110.6C79 V80 M81 A85 A86 L91C79-L83 PolarHBondContact O-N 3.02Å; V80-L83 WeakPolarHBondContact O-CB 3.17Å; V80-L83 PolarHBondContact O-N 3.09Å; M81-L83 VanDerWaalsContact C-N 3.34Å; L83-A85 VanDerWaalsContact C-N 3.29Å; L83-A85 PolarHBondContact O-N 3.32Å; L83-A86 PolarHBondContact O-N 3.44Å; L83-L91 HydrophobicContact CB-CD1 3.66Å; L83-L91 HydrophobicContact CD1-CD1 3.53Å; L83-L91 HydrophobicContact CG-CD1 4.21Å
84C84.3Confident83.5Confident90 Ų9056.1 Ų56.161%0.60829%0.286SS*.Hα-helixtrans-66.2-30175.8-66.80000113.1F5 V80 M81 F82 A86F5-C84 HydrophobicContact CE1-CB 4.14Å; F5-C84 HydrophobicContact CZ-CB 4.4Å; V80-C84 PolarHBondContact O-N 2.83Å; V80-C84 PolarHBondContact O-SG 3.44Å; V80-C84 VanDerWaalsContact O-SG 3.4Å; M81-C84 WeakPolarHBondContact O-CB 3.49Å; M81-C84 PolarHBondContact O-N 3.18Å; F82-C84 VanDerWaalsContact C-N 3.34Å; C84-A86 VanDerWaalsContact C-N 3.25Å; C84-A86 PolarHBondContact O-N 3.27Å
85A81.9Confident83.6Confident17 Ų1758.5 Ų58.514%0.1430%0.299CS..THydrogen-bonded Turntrans-79.6-4.1175.800000113.6F5 C9 M81 F82 L83 E87F5-A85 HydrophobicContact CD1-CB 4.1Å; F5-A85 HydrophobicContact CE1-CB 4.03Å; C9-A85 HydrophobicContact CB-CB 4.4Å; M81-A85 PolarHBondContact O-N 2.96Å; F82-A85 PolarHBondContact O-N 2.88Å; L83-A85 VanDerWaalsContact C-N 3.29Å; L83-A85 PolarHBondContact O-N 3.32Å; A85-E87 HydrophobicContact CB-CG 4.03Å; A85-E87 PolarHBondContact O-N 3.15Å
86A82.5Confident83.7Confident57 Ų5762.6 Ų62.647%0.47133%0.326SS..THydrogen-bonded Turntrans5628.7-175.600000114.3F82 L83 C84 W88F82-A86 PolarHBondContact O-N 2.98Å; L83-A86 PolarHBondContact O-N 3.44Å; C84-A86 VanDerWaalsContact C-N 3.25Å; C84-A86 PolarHBondContact O-N 3.27Å; A86-W88 VanDerWaalsContact C-N 3.34Å; A86-W88 PolarHBondContact O-N 3.04Å; A86-W88 VanDerWaalsContact O-N 3.09Å; A86-W88 PolarHBondContact O-NE1 3.02Å
87E82.2Confident83.8Confident52 Ų5257.6 Ų57.624%0.24330%0.304CS..  trans-87.770.4-179.1-75.3-69.5153.600110.6Y10 F82 A85 L89 T90 L91Y10-E87 HydrophobicContact CE2-CG 4.14Å; Y10-E87 PolarHBondContact OH-OE2 3.03Å; F82-E87 HydrophobicContact CD1-CB 4.23Å; F82-E87 PolarHBondContact O-N 2.99Å; A85-E87 HydrophobicContact CB-CG 4.03Å; A85-E87 PolarHBondContact O-N 3.15Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 2.89Å; E87-T90 HydrophobicContact CB-CG2 4.14Å; E87-T90 WeakPolarHBondContact CB-OG1 3.46Å; E87-T90 PolarHBondContact O-N 3.4Å; E87-T90 PolarHBondContact O-OG1 3.14Å; E87-L91 PolarHBondContact O-N 3.24Å
88W82.3Confident83.7Confident160 Ų16054.1 Ų54.161%0.60629%0.291SS*.Hα-helixtrans-54.9-41.6-170.3-61.2101.1000114.1A86 T90 L91 F92A86-W88 VanDerWaalsContact C-N 3.34Å; A86-W88 PolarHBondContact O-N 3.04Å; A86-W88 VanDerWaalsContact O-N 3.09Å; A86-W88 PolarHBondContact O-NE1 3.02Å; W88-T90 PolarHBondContact O-N 3.41Å; W88-L91 PolarHBondContact O-N 2.89Å; W88-F92 WeakPolarHBondContact O-CD2 3.36Å; W88-F92 PolarHBondContact O-N 3.21Å
89L83.6Confident83.8Confident112 Ų11256.8 Ų56.859%0.58631%0.313SS*.Hα-helixtrans-64-42.6-177-162.1150.3000111.4E87 L91 F92 L93 Y148E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 2.89Å; L89-L91 VanDerWaalsContact C-N 3.31Å; L89-L91 PolarHBondContact O-N 3.48Å; L89-F92 PolarHBondContact O-N 3.01Å; L89-L93 HydrophobicContact CD2-CD1 3.65Å; L89-L93 PolarHBondContact O-N 3.49Å; L89-L93 VanDerWaalsContact O-N 3.15Å; L89-Y148 HydrophobicContact CD2-CE2 4.14Å; L89-Y148 WeakPolarHBondContact CD2-OH 3.21Å
90T83Confident83.7Confident0 Ų059.2 Ų59.20%032%0.321CS..Hα-helixtrans-65.3-37.5177.3720000112.1Y10 F82 E87 W88 L93 N94 Y148Y10-T90 HydrophobicContact CE1-CG2 3.87Å; Y10-T90 WeakPolarHBondContact OH-CG2 3.49Å; F82-T90 WeakPolarHBondContact CD1-OG1 3.22Å; E87-T90 HydrophobicContact CB-CG2 4.14Å; E87-T90 WeakPolarHBondContact CB-OG1 3.46Å; E87-T90 PolarHBondContact O-N 3.4Å; E87-T90 PolarHBondContact O-OG1 3.14Å; W88-T90 PolarHBondContact O-N 3.41Å; T90-L93 PolarHBondContact O-N 3.45Å; T90-N94 PolarHBondContact O-N 3.38Å; T90-N94 PolarHBondContact O-ND2 3.27Å; T90-Y148 HydrophobicContact CG2-CE1 3.48Å; T90-Y148 VanDerWaalsContact CG2-CE1 3.48Å; T90-Y148 WeakPolarHBondContact CG2-OH 3.31Å
91L84.3Confident83.5Confident20 Ų2056.8 Ų56.811%0.10531%0.305CS..Hα-helixtrans-69.3-42.3-179.8-171.8146.1000110.7L83 E87 W88 L89 L93 N94 L95L83-L91 HydrophobicContact CB-CD1 3.66Å; L83-L91 HydrophobicContact CD1-CD1 3.53Å; L83-L91 HydrophobicContact CG-CD1 4.21Å; E87-L91 PolarHBondContact O-N 3.24Å; W88-L91 PolarHBondContact O-N 2.89Å; L89-L91 VanDerWaalsContact C-N 3.31Å; L89-L91 PolarHBondContact O-N 3.48Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 2.94Å; L91-N94 PolarHBondContact O-N 3.5Å; L91-L95 HydrophobicContact CD2-CD1 3.53Å; L91-L95 HydrophobicContact CG-CD1 4.48Å; L91-L95 PolarHBondContact O-N 2.99Å
92F85.4Confident83.2Confident134 Ų13459.9 Ų59.959%0.58833%0.325SS*.Hα-helixtrans-62.4-35.8174.6-84.2-65.4000113W88 L89 N94 P96W88-F92 WeakPolarHBondContact O-CD2 3.36Å; W88-F92 PolarHBondContact O-N 3.21Å; L89-F92 PolarHBondContact O-N 3.01Å; F92-N94 VanDerWaalsContact C-N 3.33Å; F92-P96 WeakPolarHBondContact O-CD 3.1Å
93L84.4Confident83.1Confident79 Ų7966.7 Ų66.741%0.41435%0.351SS..Hα-helixtrans-65.7-34.3174.7-100143.8000112.8L89 T90 L91 P96 F141 Y148L89-L93 HydrophobicContact CD2-CD1 3.65Å; L89-L93 PolarHBondContact O-N 3.49Å; L89-L93 VanDerWaalsContact O-N 3.15Å; T90-L93 PolarHBondContact O-N 3.45Å; L91-L93 VanDerWaalsContact C-N 3.31Å; L91-L93 PolarHBondContact O-N 2.94Å; L93-P96 WeakPolarHBondContact O-CD 2.91Å; L93-F141 WeakPolarHBondContact O-CE2 3.33Å; L93-F141 VanDerWaalsContact O-CZ 3.28Å; L93-F141 WeakPolarHBondContact O-CZ 3.43Å; L93-Y148 HydrophobicContact CD1-CE1 4.31Å; L93-Y148 HydrophobicContact CD1-CE2 4.31Å
94N85.3Confident82.4Confident1 Ų164.6 Ų64.61%0.00534%0.337CS..Hα-helixtrans-88.6-19.2179.5-73.7-81.6000114.2H75 F78 T90 L91 F92 P96 L97 L98 Y149H75-N94 PolarHBondContact CE1-OD1 3.11Å; F78-N94 HydrophobicContact CE2-CB 4.1Å; F78-N94 VanDerWaalsContact CE2-OD1 3.31Å; F78-N94 WeakPolarHBondContact CE2-OD1 3.47Å; F78-N94 WeakPolarHBondContact CZ-OD1 3.43Å; T90-N94 PolarHBondContact O-N 3.38Å; T90-N94 PolarHBondContact O-ND2 3.27Å; L91-N94 PolarHBondContact O-N 3.5Å; F92-N94 VanDerWaalsContact C-N 3.33Å; N94-P96 VanDerWaalsContact C-CD 3.49Å; N94-L97 PolarHBondContact O-N 2.95Å; N94-L97 VanDerWaalsContact O-N 3.15Å; N94-L98 PolarHBondContact O-N 3.01Å; N94-Y149 VanDerWaalsContact CG-OH 3.31Å; N94-Y149 PolarHBondContact ND2-OH 3.45Å; N94-Y149 PolarHBondContact OD1-OH 3.43Å; N94-Y149 VanDerWaalsContact OD1-OH 3.1Å
95L82.6Confident81.7Confident79 Ų7967.8 Ų67.841%0.41434%0.337SS..Hα-helixtrans-55.7-41.8-178.8-143.191.5000113.9L91 L97 L98 A99L91-L95 HydrophobicContact CD2-CD1 3.53Å; L91-L95 HydrophobicContact CG-CD1 4.48Å; L91-L95 PolarHBondContact O-N 2.99Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L97 PolarHBondContact O-N 3.34Å; L95-L98 PolarHBondContact O-N 3.33Å; L95-A99 WeakPolarHBondContact O-CB 3.07Å; L95-A99 PolarHBondContact O-N 3.46Å
96P84.4Confident81.3Confident87 Ų8772 Ų7257%0.56536%0.361SS*.Hα-helixtrans-60.4-41.2176.9-25.334.7000112.8F92 L93 N94 Y100F92-P96 WeakPolarHBondContact O-CD 3.1Å; L93-P96 WeakPolarHBondContact O-CD 2.91Å; N94-P96 VanDerWaalsContact C-CD 3.49Å; P96-Y100 WeakPolarHBondContact O-CB 3.48Å; P96-Y100 PolarHBondContact O-N 3.28Å
97L84.1Confident80.7Confident17 Ų1772.4 Ų72.49%0.08936%0.36CS..Hα-helixtrans-69.6-41.6178.2-158.694.1000110.8H75 N94 L95 Y100 H101 F141 Y142H75-L97 WeakPolarHBondContact CE1-CD2 3.31Å; N94-L97 PolarHBondContact O-N 2.95Å; N94-L97 VanDerWaalsContact O-N 3.15Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L97 PolarHBondContact O-N 3.34Å; L97-Y100 WeakPolarHBondContact O-CB 3.31Å; L97-Y100 PolarHBondContact O-N 3.16Å; L97-H101 VanDerWaalsContact CD2-CE1 3.44Å; L97-H101 WeakPolarHBondContact CD2-CE1 3.17Å; L97-H101 WeakPolarHBondContact O-CB 3.39Å; L97-H101 PolarHBondContact O-CD2 3Å; L97-H101 PolarHBondContact O-N 3.42Å; L97-H101 PolarHBondContact O-ND1 3.4Å; L97-F141 HydrophobicContact CB-CD1 4.34Å; L97-F141 HydrophobicContact CB-CE1 3.96Å; L97-F141 HydrophobicContact CB-CZ 4.15Å; L97-F141 HydrophobicContact CD1-CB 4.21Å; L97-F141 HydrophobicContact CD1-CD1 3.69Å; L97-F141 HydrophobicContact CD1-CD2 4.4Å; L97-F141 HydrophobicContact CD1-CE1 4.18Å; L97-F141 HydrophobicContact CD1-CG 3.83Å; L97-F141 HydrophobicContact CD2-CD1 3.85Å; L97-F141 HydrophobicContact CD2-CE1 3.91Å; L97-F141 HydrophobicContact CG-CD1 4.17Å; L97-F141 HydrophobicContact CG-CE1 4.23Å; L97-Y142 HydrophobicContact CD2-CE1 3.71Å
98L82.4Confident79.7Confident38 Ų3872.8 Ų72.820%0.19936%0.359CS..Hα-helixtrans-60.4-45.7175-167.384.5000111.7F76 C79 N94 L95 Y100 H101 V102F76-L98 HydrophobicContact CB-CD1 4.44Å; F76-L98 HydrophobicContact CD2-CD1 4.09Å; C79-L98 HydrophobicContact CB-CD1 4.3Å; N94-L98 PolarHBondContact O-N 3.01Å; L95-L98 PolarHBondContact O-N 3.33Å; L98-Y100 VanDerWaalsContact C-N 3.34Å; L98-H101 WeakPolarHBondContact O-CB 3.39Å; L98-H101 PolarHBondContact O-N 3.14Å; L98-V102 WeakPolarHBondContact O-CG2 3.35Å; L98-V102 PolarHBondContact O-N 3.08Å
99A82.8Confident78.5Confident57 Ų5769.5 Ų69.547%0.47136%0.359SS..Hα-helixtrans-63.1-42.1176.800000111.2L95 H101 V102 W103L95-A99 WeakPolarHBondContact O-CB 3.07Å; L95-A99 PolarHBondContact O-N 3.46Å; A99-H101 VanDerWaalsContact C-N 3.32Å; A99-H101 PolarHBondContact O-N 2.91Å; A99-V102 PolarHBondContact O-N 3.21Å; A99-W103 VanDerWaalsContact O-CB 3.31Å; A99-W103 WeakPolarHBondContact O-CB 3.48Å; A99-W103 PolarHBondContact O-N 3.26Å
100Y82.4Confident77Confident61 Ų6171.6 Ų71.624%0.23938%0.376CS..Hα-helixtrans-59.8-43.3174.2-178.2-100.4000111.7P96 L97 L98 W103 R104 Y130 E134P96-Y100 WeakPolarHBondContact O-CB 3.48Å; P96-Y100 PolarHBondContact O-N 3.28Å; L97-Y100 WeakPolarHBondContact O-CB 3.31Å; L97-Y100 PolarHBondContact O-N 3.16Å; L98-Y100 VanDerWaalsContact C-N 3.34Å; Y100-W103 HydrophobicContact CD2-CE3 4.24Å; Y100-W103 HydrophobicContact CE2-CE3 4.17Å; Y100-W103 HydrophobicContact CE2-CZ3 4.08Å; Y100-W103 PolarHBondContact O-N 3.22Å; Y100-R104 WeakPolarHBondContact O-CB 3.49Å; Y100-R104 PolarHBondContact O-N 2.98Å; Y100-Y130 PolarHBondContact OH-OH 3.05Å; Y100-Y130 VanDerWaalsContact OH-OH 3.12Å; Y100-E134 HydrophobicContact CE1-CG 4.03Å; Y100-E134 WeakPolarHBondContact CE1-OE1 3.49Å; Y100-E134 WeakPolarHBondContact OH-CG 3.19Å; Y100-E134 PolarHBondContact OH-OE1 2.86Å; Y100-E134 PolarHBondContact OH-OE2 3.5Å
101H81.6Confident75.7Confident10 Ų1074 Ų745%0.04639%0.388CS..Hα-helixtrans-61.6-43.9176.5-71.9172.7000113.1Y72 H75 L97 L98 A99 R104 Y105Y72-H101 HydrophobicContact CD1-CB 3.44Å; Y72-H101 VanDerWaalsContact CD1-CB 3.44Å; Y72-H101 AromaticContact CD1-CD2 3.64Å; Y72-H101 AromaticContact CD1-CE1 3.96Å; Y72-H101 AromaticContact CD1-CG 3.27Å; Y72-H101 AromaticContact CD1-ND1 3.55Å; Y72-H101 HydrophobicContact CE1-CB 3.56Å; Y72-H101 AromaticContact CE1-CD2 3.17Å; Y72-H101 WeakPolarHBondContact CE1-CD2 3.37Å; Y72-H101 AromaticContact CE1-CG 3.3Å; Y72-H101 AromaticContact CE1-ND1 3.94Å; Y72-H101 AromaticContact CE1-NE2 3.69Å; H75-H101 AromaticContact CD2-ND1 3.69Å; H75-H101 AromaticContact CG-ND1 4Å; L97-H101 VanDerWaalsContact CD2-CE1 3.44Å; L97-H101 WeakPolarHBondContact CD2-CE1 3.17Å; L97-H101 WeakPolarHBondContact O-CB 3.39Å; L97-H101 PolarHBondContact O-CD2 3Å; L97-H101 PolarHBondContact O-N 3.42Å; L97-H101 PolarHBondContact O-ND1 3.4Å; L98-H101 WeakPolarHBondContact O-CB 3.39Å; L98-H101 PolarHBondContact O-N 3.14Å; A99-H101 VanDerWaalsContact C-N 3.32Å; A99-H101 PolarHBondContact O-N 2.91Å; H101-R104 PolarHBondContact O-N 3.49Å; H101-Y105 WeakPolarHBondContact O-CB 3.34Å; H101-Y105 PolarHBondContact O-N 3.25Å
102V78.5Confident73.9Confident87 Ų8779.5 Ų79.553%0.52743%0.428SS..Hα-helixtrans-67.7-44.6176.8173.70000111.4L98 A99 R104 Y105 T106L98-V102 WeakPolarHBondContact O-CG2 3.35Å; L98-V102 PolarHBondContact O-N 3.08Å; A99-V102 PolarHBondContact O-N 3.21Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 3.44Å; V102-Y105 PolarHBondContact O-N 3.26Å; V102-T106 WeakPolarHBondContact O-CB 3.45Å; V102-T106 PolarHBondContact O-N 2.99Å; V102-T106 PolarHBondContact O-OG1 2.94Å
103W80.8Confident72.3Confident144 Ų14477.1 Ų77.155%0.54543%0.427SS..Hα-helixtrans-61.2-43.7176.3175.776.3000111.1A99 Y100 Y105 T106 S107A99-W103 VanDerWaalsContact O-CB 3.31Å; A99-W103 WeakPolarHBondContact O-CB 3.48Å; A99-W103 PolarHBondContact O-N 3.26Å; Y100-W103 HydrophobicContact CD2-CE3 4.24Å; Y100-W103 HydrophobicContact CE2-CE3 4.17Å; Y100-W103 HydrophobicContact CE2-CZ3 4.08Å; Y100-W103 PolarHBondContact O-N 3.22Å; W103-Y105 VanDerWaalsContact C-N 3.35Å; W103-Y105 PolarHBondContact O-N 3Å; W103-T106 PolarHBondContact O-N 3.39Å; W103-S107 PolarHBondContact NE1-OG 3.27Å; W103-S107 VanDerWaalsContact O-CB 3.25Å; W103-S107 WeakPolarHBondContact O-CB 3.5Å; W103-S107 PolarHBondContact O-N 3.25Å; W103-S107 PolarHBondContact O-OG 3.26Å
104R72.8Confident70.7Confident55 Ų5576.9 Ų76.921%0.20843%0.43CS..Hα-helixtrans-60.7-45.1176.2-170.663.4156.4158.9-3.1110.6Y100 H101 V102 T106 R108 E134Y100-R104 WeakPolarHBondContact O-CB 3.49Å; Y100-R104 PolarHBondContact O-N 2.98Å; H101-R104 PolarHBondContact O-N 3.49Å; V102-R104 VanDerWaalsContact C-N 3.32Å; V102-R104 PolarHBondContact O-N 3.44Å; R104-T106 VanDerWaalsContact C-N 3.34Å; R104-T106 PolarHBondContact O-N 3.45Å; R104-R108 WeakPolarHBondContact O-CD 3.44Å; R104-R108 WeakPolarHBondContact O-CG 3.31Å; R104-E134 IonicContact CZ-OE2 3.4Å; R104-E134 IonicContact NE-OE1 3.76Å; R104-E134 IonicContact NE-OE2 3.38Å; R104-E134 PolarHBondContact NE-OE2 3.41Å; R104-E134 IonicContact NH2-OE2 2.83Å; R104-E134 PolarHBondContact NH2-OE2 2.92Å
105Y68.9Low69.3Low156 Ų15677.6 Ų77.661%0.61244%0.438SS*.Hα-helixtrans-65.6-32.8177.8-173.4-93.6000113.5H101 V102 W103 R108H101-Y105 WeakPolarHBondContact O-CB 3.34Å; H101-Y105 PolarHBondContact O-N 3.25Å; V102-Y105 PolarHBondContact O-N 3.26Å; W103-Y105 VanDerWaalsContact C-N 3.35Å; W103-Y105 PolarHBondContact O-N 3Å; Y105-R108 WeakPolarHBondContact O-CG 3.47Å
106T72.4Confident68.1Low107 Ų10774.6 Ų74.666%0.65642%0.422SS*.Hα-helixtrans-81.9-34.9-179.6-51.40000112.1V102 W103 R104 R108V102-T106 WeakPolarHBondContact O-CB 3.45Å; V102-T106 PolarHBondContact O-N 2.99Å; V102-T106 PolarHBondContact O-OG1 2.94Å; W103-T106 PolarHBondContact O-N 3.39Å; R104-T106 VanDerWaalsContact C-N 3.34Å; R104-T106 PolarHBondContact O-N 3.45Å; T106-R108 PolarHBondContact O-N 3.46Å; T106-R108 VanDerWaalsContact O-N 3.11Å
107S70.3Confident66.9Low64 Ų6471.6 Ų71.645%0.44840%0.4SS..SBendtrans-8424.6-177.4-51.50000113.2W103W103-S107 PolarHBondContact NE1-OG 3.27Å; W103-S107 VanDerWaalsContact O-CB 3.25Å; W103-S107 WeakPolarHBondContact O-CB 3.5Å; W103-S107 PolarHBondContact O-N 3.25Å; W103-S107 PolarHBondContact O-OG 3.26Å
108R60.9Low65.8Low60 Ų6073 Ų7323%0.22641%0.407CS..  trans-85.7129-176.8-54.1-81.3-106.781.444.2108.3R104 Y105 T106 G115 L116R104-R108 WeakPolarHBondContact O-CD 3.44Å; R104-R108 WeakPolarHBondContact O-CG 3.31Å; Y105-R108 WeakPolarHBondContact O-CG 3.47Å; T106-R108 PolarHBondContact O-N 3.46Å; T106-R108 VanDerWaalsContact O-N 3.11Å; R108-G115 PolarHBondContact NH1-O 3.21Å; R108-G115 PolarHBondContact NH2-O 3.2Å; R108-L116 VanDerWaalsContact NE-CG 3.26Å; R108-L116 PolarHBondContact NH1-O 3.25Å; R108-L116 VanDerWaalsContact NH2-CA 3.31Å
109P56.7Low64.6Low92 Ų9273.1 Ų73.160%0.59741%0.41SS*.  trans-63.7140.7170.925.8-30.4000109.5M111P109-M111 HydrophobicContact CG-CE 4.02Å; P109-M111 PolarHBondContact O-N 3.48Å; P109-M111 VanDerWaalsContact O-N 3.15Å
110V53.8Low63.5Low155 Ų15575.5 Ų75.594%0.93942%0.419SS*.  trans-69111.3-179.9-173.30000108.2
111M55.2Low62.7Low50 Ų5075.2 Ų75.225%0.24642%0.424CS..  trans-100.7148.8179.1-66167.2-174.300110.7P109 C113 D118P109-M111 HydrophobicContact CG-CE 4.02Å; P109-M111 PolarHBondContact O-N 3.48Å; P109-M111 VanDerWaalsContact O-N 3.15Å; M111-C113 PolarHBondContact O-N 3.2Å; M111-D118 HydrophobicContact CE-CB 3.44Å; M111-D118 VanDerWaalsContact CE-CB 3.44Å; M111-D118 HydrophobicContact CG-CB 4.43Å; M111-D118 HydrophobicContact SD-CB 3.66Å
112S45.5Very low62Low136 Ų13675 Ų7595%0.95142%0.423SS*.SBendtrans-65.1-27176.1-43.80000113
113C51.8Low61.4Low84 Ų8476.3 Ų76.357%0.56843%0.425SS*.SBendtrans-106.3139.8175.9-69.50000110.7M111 G115M111-C113 PolarHBondContact O-N 3.2Å; C113-G115 PolarHBondContact O-N 3.24Å
114P52.1Low61.2Low74 Ų7473.2 Ų73.248%0.48142%0.419SS..SBendtrans-69.3106.6177.126.5-31.7000110.1N49N49-P114 PolarHBondContact ND2-O 2.75Å; N49-P114 PolarHBondContact OD1-O 3.09Å
115G54.6Low61.3Low16 Ų1674 Ų7417%0.16544%0.437CS..  trans-165.4162.5178.300000116.9N49 R108 C113 Y117N49-G115 WeakPolarHBondContact ND2-CA 3.36Å; N49-G115 VanDerWaalsContact OD1-CA 3.29Å; N49-G115 WeakPolarHBondContact OD1-CA 3.13Å; R108-G115 PolarHBondContact NH1-O 3.21Å; R108-G115 PolarHBondContact NH2-O 3.2Å; C113-G115 PolarHBondContact O-N 3.24Å; G115-Y117 VanDerWaalsContact C-N 3.33Å
116L57.6Low61.9Low16 Ų1672.5 Ų72.58%0.08444%0.44CS..SBendtrans-79.8-19.1173.1-147.2101.9000114.4V68 Y72 R108V68-L116 HydrophobicContact CB-CB 4.39Å; V68-L116 HydrophobicContact CG1-CB 3.5Å; V68-L116 VanDerWaalsContact CG1-CB 3.5Å; V68-L116 HydrophobicContact CG1-CD1 3.86Å; V68-L116 HydrophobicContact CG1-CD2 3.48Å; V68-L116 VanDerWaalsContact CG1-CD2 3.48Å; V68-L116 HydrophobicContact CG1-CG 3.74Å; Y72-L116 HydrophobicContact CE2-CD1 4.43Å; Y72-L116 HydrophobicContact CE2-CD2 4.45Å; R108-L116 VanDerWaalsContact NE-CG 3.26Å; R108-L116 PolarHBondContact NH1-O 3.25Å; R108-L116 VanDerWaalsContact NH2-CA 3.31Å
117Y58.9Low62.1Low25 Ų2570.5 Ų70.510%0.09842%0.424CS..  trans-147.7113.2-154.8-81.6-52.2000106.2F31 L48 V68 G115 I122F31-Y117 AromaticContact CZ-CE1 3.99Å; F31-Y117 HydrophobicContact CZ-CE1 3.99Å; F31-Y117 HydrophobicContact CZ-CE2 4.2Å; F31-Y117 AromaticContact CZ-CZ 3.79Å; L48-Y117 HydrophobicContact CD2-CD2 4.11Å; L48-Y117 HydrophobicContact CD2-CE2 4.32Å; V68-Y117 HydrophobicContact CG1-CE2 4.16Å; V68-Y117 HydrophobicContact CG2-CD2 3.97Å; V68-Y117 HydrophobicContact CG2-CE2 3.75Å; G115-Y117 VanDerWaalsContact C-N 3.33Å; Y117-I122 HydrophobicContact CD1-CD1 3.5Å; Y117-I122 VanDerWaalsContact CD1-CD1 3.5Å; Y117-I122 HydrophobicContact CD1-CG1 4.14Å; Y117-I122 HydrophobicContact CG-CD1 3.66Å
118D61.5Low62.5Low45 Ų4568.3 Ų68.324%0.24141%0.407CS..  trans-88.2122.8174.7178.6-13000108.4M111 T120 T121 I122M111-D118 HydrophobicContact CE-CB 3.44Å; M111-D118 VanDerWaalsContact CE-CB 3.44Å; M111-D118 HydrophobicContact CG-CB 4.43Å; M111-D118 HydrophobicContact SD-CB 3.66Å; D118-T120 PolarHBondContact O-N 3.15Å; D118-T120 VanDerWaalsContact O-N 3.12Å; D118-T120 PolarHBondContact OD1-N 3.42Å; D118-T120 PolarHBondContact OD1-OG1 3.42Å; D118-T120 PolarHBondContact OD2-OG1 3.39Å; D118-T121 HydrophobicContact CB-CG2 4.1Å; D118-T121 WeakPolarHBondContact CB-OG1 3.46Å; D118-T121 PolarHBondContact O-N 3.18Å; D118-T121 PolarHBondContact O-OG1 3.46Å; D118-I122 WeakPolarHBondContact O-CD1 3.28Å; D118-I122 WeakPolarHBondContact O-CG1 3.49Å; D118-I122 PolarHBondContact O-N 2.83Å; D118-I122 VanDerWaalsContact O-N 3.16Å
119P56.8Low63.5Low41 Ų4167.5 Ų67.527%0.26641%0.413SS..Hα-helixtrans-55.5-28.9-178.622-33.8000113.5I42 C45I42-P119 HydrophobicContact CG1-CB 4.43Å; C45-P119 HydrophobicContact CB-CB 4.09Å; C45-P119 VanDerWaalsContact SG-CA 3.59Å
120T60.4Low64.7Low107 Ų10768 Ų6866%0.65640%0.404SS*.Hα-helixtrans-75.4-34.1179.262.10000112.7D118D118-T120 PolarHBondContact O-N 3.15Å; D118-T120 VanDerWaalsContact O-N 3.12Å; D118-T120 PolarHBondContact OD1-N 3.42Å; D118-T120 PolarHBondContact OD1-OG1 3.42Å; D118-T120 PolarHBondContact OD2-OG1 3.39Å
121T65.5Low66Low55 Ų5560.9 Ų60.934%0.33736%0.361SS..Hα-helixtrans-82.1-28-178.463.50000113.3D118 N124 I127D118-T121 HydrophobicContact CB-CG2 4.1Å; D118-T121 WeakPolarHBondContact CB-OG1 3.46Å; D118-T121 PolarHBondContact O-N 3.18Å; D118-T121 PolarHBondContact O-OG1 3.46Å; T121-N124 PolarHBondContact O-N 3.23Å; T121-I127 VanDerWaalsContact O-CD1 3.27Å; T121-I127 WeakPolarHBondContact O-CD1 3.21Å
122I66.9Low67.3Low7 Ų759.7 Ų59.74%0.03636%0.355CS..Hα-helixtrans-77.9-24.2-175.3-73160.6000112.9L34 Y117 D118 N124 L128L34-I122 HydrophobicContact CD1-CG2 4.28Å; Y117-I122 HydrophobicContact CD1-CD1 3.5Å; Y117-I122 VanDerWaalsContact CD1-CD1 3.5Å; Y117-I122 HydrophobicContact CD1-CG1 4.14Å; Y117-I122 HydrophobicContact CG-CD1 3.66Å; D118-I122 WeakPolarHBondContact O-CD1 3.28Å; D118-I122 WeakPolarHBondContact O-CG1 3.49Å; D118-I122 PolarHBondContact O-N 2.83Å; D118-I122 VanDerWaalsContact O-N 3.16Å; I122-N124 PolarHBondContact O-N 2.83Å; I122-L128 HydrophobicContact CG2-CD1 4.34Å
123M66Low69.2Low113 Ų11360.8 Ų60.856%0.55734%0.343SS*.THydrogen-bonded Turntrans-70.7-12.9174.2-66.9-164.88900113.2P41 A125P41-M123 HydrophobicContact CB-CE 4.31Å; P41-M123 HydrophobicContact CB-CG 3.79Å; P41-M123 HydrophobicContact CB-SD 3.92Å; P41-M123 HydrophobicContact CG-CE 3.77Å; P41-M123 HydrophobicContact CG-CG 4.07Å; P41-M123 HydrophobicContact CG-SD 3.48Å; P41-M123 WeakPolarHBondContact CG-SD 3.48Å; M123-A125 PolarHBondContact O-N 2.82Å
124N76.3Confident70.8Confident80 Ų8057.5 Ų57.543%0.42832%0.319SS..SBendtrans-69123.1173.9-170.18.1000109.7T121 I122 D126 I127 L128T121-N124 PolarHBondContact O-N 3.23Å; I122-N124 PolarHBondContact O-N 2.83Å; N124-D126 PolarHBondContact O-N 3.1Å; N124-D126 VanDerWaalsContact O-N 3.16Å; N124-I127 HydrophobicContact CB-CB 4.29Å; N124-I127 HydrophobicContact CB-CD1 4Å; N124-I127 HydrophobicContact CB-CG1 4.14Å; N124-I127 PolarHBondContact O-N 3.4Å; N124-L128 PolarHBondContact O-N 3.23Å
125A75.1Confident72.3Confident70 Ų7054.6 Ų54.658%0.57930%0.303SS*.Hα-helixtrans-55.6-37.1-174.100000112.9M123 A129M123-A125 PolarHBondContact O-N 2.82Å; A125-A129 WeakPolarHBondContact O-CB 3.33Å; A125-A129 PolarHBondContact O-N 2.91Å
126D80.9Confident73.9Confident126 Ų12660.8 Ų60.867%0.67432%0.321SS*.Hα-helixtrans-66.9-40.2178.6-63.9-33.8000112.2N124 Y130N124-D126 PolarHBondContact O-N 3.1Å; N124-D126 VanDerWaalsContact O-N 3.16Å; D126-Y130 WeakPolarHBondContact O-CB 3.33Å; D126-Y130 PolarHBondContact O-N 3.31Å; D126-Y130 VanDerWaalsContact O-N 3.07Å
127I77.6Confident75.4Confident65 Ų6564.3 Ų64.333%0.33335%0.346SS..Hα-helixtrans-72.6-40.9179.7-63.1176.4000109.9T121 N124 Y130 C131T121-I127 VanDerWaalsContact O-CD1 3.27Å; T121-I127 WeakPolarHBondContact O-CD1 3.21Å; N124-I127 HydrophobicContact CB-CB 4.29Å; N124-I127 HydrophobicContact CB-CD1 4Å; N124-I127 HydrophobicContact CB-CG1 4.14Å; N124-I127 PolarHBondContact O-N 3.4Å; I127-Y130 PolarHBondContact O-N 3.46Å; I127-C131 PolarHBondContact O-N 2.89Å; I127-C131 PolarHBondContact O-SG 2.84Å; I127-C131 VanDerWaalsContact O-SG 3.33Å
128L78Confident76.7Confident17 Ų1763.9 Ų63.99%0.08935%0.345CS..Hα-helixtrans-62.9-45.1176.5-172.260.6000111.5F31 L34 K35 I122 N124 Y130 C131 Q132F31-L128 HydrophobicContact CB-CD1 4.36Å; F31-L128 HydrophobicContact CD1-CD1 3.82Å; L34-L128 HydrophobicContact CB-CD1 4.44Å; K35-L128 HydrophobicContact CB-CD2 3.78Å; K35-L128 HydrophobicContact CG-CD2 4.19Å; I122-L128 HydrophobicContact CG2-CD1 4.34Å; N124-L128 PolarHBondContact O-N 3.23Å; L128-Y130 VanDerWaalsContact C-N 3.31Å; L128-Y130 PolarHBondContact O-N 3Å; L128-C131 PolarHBondContact O-N 3.28Å; L128-Q132 WeakPolarHBondContact O-CB 3.18Å; L128-Q132 PolarHBondContact O-N 3.36Å
129A81.9Confident78Confident43 Ų4363.1 Ų63.136%0.35534%0.34SS..Hα-helixtrans-62-38.5175.900000112.1A125 K133A125-A129 WeakPolarHBondContact O-CB 3.33Å; A125-A129 PolarHBondContact O-N 2.91Å; A129-K133 WeakPolarHBondContact O-CG 3.24Å; A129-K133 PolarHBondContact O-N 3.42Å; A129-K133 VanDerWaalsContact O-N 3.08Å
130Y82.6Confident79.6Confident104 Ų10463.6 Ų63.641%0.40835%0.348SS..Hα-helixtrans-63.9-48.5173.3176.5-90.5000111.9Y100 D126 I127 L128 Q132 K133 E134Y100-Y130 PolarHBondContact OH-OH 3.05Å; Y100-Y130 VanDerWaalsContact OH-OH 3.12Å; D126-Y130 WeakPolarHBondContact O-CB 3.33Å; D126-Y130 PolarHBondContact O-N 3.31Å; D126-Y130 VanDerWaalsContact O-N 3.07Å; I127-Y130 PolarHBondContact O-N 3.46Å; L128-Y130 VanDerWaalsContact C-N 3.31Å; L128-Y130 PolarHBondContact O-N 3Å; Y130-Q132 VanDerWaalsContact C-N 3.32Å; Y130-Q132 PolarHBondContact O-N 3.46Å; Y130-K133 PolarHBondContact O-N 3.46Å; Y130-E134 WeakPolarHBondContact O-CB 3.43Å; Y130-E134 PolarHBondContact O-N 3.32Å
131C80.9Confident81Confident5 Ų560.5 Ų60.53%0.03433%0.325CS..Hα-helixtrans-62.1-37.5178.1-72.10000112.5F31 I127 L128 E134 G135F31-C131 HydrophobicContact CE1-CB 4.31Å; F31-C131 HydrophobicContact CZ-CB 4.35Å; I127-C131 PolarHBondContact O-N 2.89Å; I127-C131 PolarHBondContact O-SG 2.84Å; I127-C131 VanDerWaalsContact O-SG 3.33Å; L128-C131 PolarHBondContact O-N 3.28Å; C131-E134 WeakPolarHBondContact O-CB 3.29Å; C131-E134 PolarHBondContact O-N 3.12Å; C131-G135 PolarHBondContact O-N 3.04Å
132Q82.2Confident82.1Confident25 Ų2558 Ų5812%0.11731%0.31CS..Hα-helixtrans-64.4-48.6175.6-165.6170.312.400110.2D32 L128 Y130 E134 G135 W136D32-Q132 PolarHBondContact OD1-NE2 3.46Å; D32-Q132 VanDerWaalsContact OD1-NE2 3.14Å; L128-Q132 WeakPolarHBondContact O-CB 3.18Å; L128-Q132 PolarHBondContact O-N 3.36Å; Y130-Q132 VanDerWaalsContact C-N 3.32Å; Y130-Q132 PolarHBondContact O-N 3.46Å; Q132-E134 VanDerWaalsContact C-N 3.32Å; Q132-E134 PolarHBondContact O-N 2.93Å; Q132-G135 PolarHBondContact O-N 3.47Å; Q132-G135 VanDerWaalsContact O-N 3.16Å; Q132-W136 PolarHBondContact O-N 3.47Å
133K85.4Confident83.2Confident159 Ų15961.6 Ų61.669%0.69133%0.329SS*.Hα-helixtrans-59.7-39.9175.1-72.2176.2-178.2-179.90112.6A129 Y130 W136 C137A129-K133 WeakPolarHBondContact O-CG 3.24Å; A129-K133 PolarHBondContact O-N 3.42Å; A129-K133 VanDerWaalsContact O-N 3.08Å; Y130-K133 PolarHBondContact O-N 3.46Å; K133-W136 PolarHBondContact O-N 2.82Å; K133-C137 WeakPolarHBondContact O-CB 3.23Å; K133-C137 PolarHBondContact O-N 2.64Å
134E84.8Confident84.4Confident14 Ų1462 Ų627%0.06533%0.332CS..Hα-helixtrans-58.1-47.9173.8-176.8-175.4159.900110.8Y100 R104 Y130 C131 Q132 C137 K138Y100-E134 HydrophobicContact CE1-CG 4.03Å; Y100-E134 WeakPolarHBondContact CE1-OE1 3.49Å; Y100-E134 WeakPolarHBondContact OH-CG 3.19Å; Y100-E134 PolarHBondContact OH-OE1 2.86Å; Y100-E134 PolarHBondContact OH-OE2 3.5Å; R104-E134 IonicContact CZ-OE2 3.4Å; R104-E134 IonicContact NE-OE1 3.76Å; R104-E134 IonicContact NE-OE2 3.38Å; R104-E134 PolarHBondContact NE-OE2 3.41Å; R104-E134 IonicContact NH2-OE2 2.83Å; R104-E134 PolarHBondContact NH2-OE2 2.92Å; Y130-E134 WeakPolarHBondContact O-CB 3.43Å; Y130-E134 PolarHBondContact O-N 3.32Å; C131-E134 WeakPolarHBondContact O-CB 3.29Å; C131-E134 PolarHBondContact O-N 3.12Å; Q132-E134 VanDerWaalsContact C-N 3.32Å; Q132-E134 PolarHBondContact O-N 2.93Å; E134-C137 PolarHBondContact O-N 2.97Å; E134-K138 HydrophobicContact CG-CD 4.47Å; E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 2.99Å; E134-K138 VanDerWaalsContact OE1-CE 3.28Å; E134-K138 WeakPolarHBondContact OE1-CE 3.37Å; E134-K138 IonicContact OE1-NZ 2.76Å; E134-K138 PolarHBondContact OE1-NZ 3.41Å
135G85.3Confident85Confident14 Ų1458.6 Ų58.614%0.14432%0.315CS..Hα-helixtrans-60.4-46.1176.900000113.4C131 Q132 C137 K138 L139C131-G135 PolarHBondContact O-N 3.04Å; Q132-G135 PolarHBondContact O-N 3.47Å; Q132-G135 VanDerWaalsContact O-N 3.16Å; G135-C137 VanDerWaalsContact C-N 3.35Å; G135-C137 PolarHBondContact O-N 2.88Å; G135-K138 PolarHBondContact O-N 3Å; G135-L139 WeakPolarHBondContact O-CB 3.48Å; G135-L139 PolarHBondContact O-N 3.31Å
136W86.8Confident85.7Confident146 Ų14658.2 Ų58.255%0.55330%0.3SS*.Hα-helixtrans-62.9-39176.5-78.9102.1000112.8I28 Q132 K133 L139 A140I28-W136 HydrophobicContact CD1-CD2 4.34Å; I28-W136 HydrophobicContact CD1-CG 4.45Å; I28-W136 HydrophobicContact CG2-CZ2 4.11Å; Q132-W136 PolarHBondContact O-N 3.47Å; K133-W136 PolarHBondContact O-N 2.82Å; W136-L139 HydrophobicContact CE3-CD2 4.32Å; W136-L139 HydrophobicContact CZ3-CD2 4.41Å; W136-L139 PolarHBondContact O-N 3.33Å; W136-A140 PolarHBondContact O-N 2.97Å
137C89.1Confident86.2Confident90 Ų9058.1 Ų58.161%0.60829%0.294SS*.Hα-helixtrans-65.6-44176.4-174.10000111.7K133 E134 G135 L139 A140 F141K133-C137 WeakPolarHBondContact O-CB 3.23Å; K133-C137 PolarHBondContact O-N 2.64Å; E134-C137 PolarHBondContact O-N 2.97Å; G135-C137 VanDerWaalsContact C-N 3.35Å; G135-C137 PolarHBondContact O-N 2.88Å; C137-L139 PolarHBondContact O-N 3.47Å; C137-A140 PolarHBondContact O-N 3.32Å; C137-F141 PolarHBondContact O-N 3.36Å
138K86.3Confident86.8Confident16 Ų1658 Ų587%0.0729%0.29CS..Hα-helixtrans-61.8-42.7175.1-71.5178.8-174.7174.10112.1E134 G135 A140 F141 Y142E134-K138 HydrophobicContact CG-CD 4.47Å; E134-K138 WeakPolarHBondContact O-CG 3.33Å; E134-K138 PolarHBondContact O-N 2.99Å; E134-K138 VanDerWaalsContact OE1-CE 3.28Å; E134-K138 WeakPolarHBondContact OE1-CE 3.37Å; E134-K138 IonicContact OE1-NZ 2.76Å; E134-K138 PolarHBondContact OE1-NZ 3.41Å; G135-K138 PolarHBondContact O-N 3Å; K138-A140 PolarHBondContact O-N 3.21Å; K138-F141 PolarHBondContact O-N 2.84Å; K138-Y142 HydrophobicContact CB-CE2 4.21Å; K138-Y142 WeakPolarHBondContact O-CD2 3.38Å; K138-Y142 PolarHBondContact O-N 3.39Å
139L88.5Confident87.4Confident28 Ų2857.2 Ų57.215%0.14729%0.286CS..Hα-helixtrans-58.1-48175.6-179.868.2000111.5I21 A24 I25 I28 G135 W136 C137 F141 Y142 L143I21-L139 HydrophobicContact CG2-CD1 4.07Å; A24-L139 HydrophobicContact CB-CD1 4.19Å; I25-L139 HydrophobicContact CD1-CD1 4.39Å; I25-L139 HydrophobicContact CG1-CD1 3.78Å; I25-L139 HydrophobicContact CG1-CD2 4.47Å; I28-L139 HydrophobicContact CD1-CB 4Å; I28-L139 HydrophobicContact CD1-CD2 3.79Å; I28-L139 HydrophobicContact CD1-CG 4.44Å; G135-L139 WeakPolarHBondContact O-CB 3.48Å; G135-L139 PolarHBondContact O-N 3.31Å; W136-L139 HydrophobicContact CE3-CD2 4.32Å; W136-L139 HydrophobicContact CZ3-CD2 4.41Å; W136-L139 PolarHBondContact O-N 3.33Å; C137-L139 PolarHBondContact O-N 3.47Å; L139-F141 VanDerWaalsContact C-N 3.31Å; L139-F141 PolarHBondContact O-N 3.27Å; L139-Y142 PolarHBondContact O-N 3Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 PolarHBondContact O-N 3.31Å
140A90.4Very high87.8Confident51 Ų5158.1 Ų58.142%0.42128%0.284SS..Hα-helixtrans-60.1-42.3177.500000111.7W136 C137 K138 L143 L144W136-A140 PolarHBondContact O-N 2.97Å; C137-A140 PolarHBondContact O-N 3.32Å; K138-A140 PolarHBondContact O-N 3.21Å; A140-L143 PolarHBondContact O-N 2.73Å; A140-L144 WeakPolarHBondContact O-CG 3.18Å; A140-L144 PolarHBondContact O-N 3.37Å
141F89.8Confident88.2Confident43 Ų4360.1 Ų60.119%0.18929%0.292CS..Hα-helixtrans-63.2-45.2176.7-177.4-90000112.6L93 L97 C137 K138 L139 L143 L144 S145L93-F141 WeakPolarHBondContact O-CE2 3.33Å; L93-F141 VanDerWaalsContact O-CZ 3.28Å; L93-F141 WeakPolarHBondContact O-CZ 3.43Å; L97-F141 HydrophobicContact CB-CD1 4.34Å; L97-F141 HydrophobicContact CB-CE1 3.96Å; L97-F141 HydrophobicContact CB-CZ 4.15Å; L97-F141 HydrophobicContact CD1-CB 4.21Å; L97-F141 HydrophobicContact CD1-CD1 3.69Å; L97-F141 HydrophobicContact CD1-CD2 4.4Å; L97-F141 HydrophobicContact CD1-CE1 4.18Å; L97-F141 HydrophobicContact CD1-CG 3.83Å; L97-F141 HydrophobicContact CD2-CD1 3.85Å; L97-F141 HydrophobicContact CD2-CE1 3.91Å; L97-F141 HydrophobicContact CG-CD1 4.17Å; L97-F141 HydrophobicContact CG-CE1 4.23Å; C137-F141 PolarHBondContact O-N 3.36Å; K138-F141 PolarHBondContact O-N 2.84Å; L139-F141 VanDerWaalsContact C-N 3.31Å; L139-F141 PolarHBondContact O-N 3.27Å; F141-L143 VanDerWaalsContact C-N 3.32Å; F141-L143 PolarHBondContact O-N 3.44Å; F141-L144 PolarHBondContact O-N 3.09Å; F141-S145 WeakPolarHBondContact CE1-OG 3.49Å; F141-S145 WeakPolarHBondContact O-CB 3.38Å; F141-S145 PolarHBondContact O-N 3.37Å; F141-S145 PolarHBondContact O-OG 3.01Å
142Y88.9Confident88.5Confident2 Ų260.1 Ų60.11%0.00829%0.293CS..Hα-helixtrans-65-36.7177.7-68.9-43.4000112.7L20 A24 E71 H75 L97 K138 L139 S145 F146L20-Y142 HydrophobicContact CD1-CE1 4.17Å; A24-Y142 HydrophobicContact CB-CD2 4.25Å; E71-Y142 HydrophobicContact CG-CE2 4.32Å; E71-Y142 WeakPolarHBondContact CG-OH 2.96Å; E71-Y142 WeakPolarHBondContact OE1-CE2 3.44Å; E71-Y142 PolarHBondContact OE1-OH 3.37Å; H75-Y142 AromaticContact ND1-CE1 3.85Å; L97-Y142 HydrophobicContact CD2-CE1 3.71Å; K138-Y142 HydrophobicContact CB-CE2 4.21Å; K138-Y142 WeakPolarHBondContact O-CD2 3.38Å; K138-Y142 PolarHBondContact O-N 3.39Å; L139-Y142 PolarHBondContact O-N 3Å; Y142-S145 PolarHBondContact O-N 2.93Å; Y142-F146 WeakPolarHBondContact O-CB 3.06Å; Y142-F146 PolarHBondContact O-N 3.41Å
143L90.9Very high88.8Confident83 Ų8360.6 Ų60.644%0.43530%0.295SS..Hα-helixtrans-67-43.8176.5-174.6147.1000111.8L139 A140 F141 F146 F147L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 PolarHBondContact O-N 3.31Å; A140-L143 PolarHBondContact O-N 2.73Å; F141-L143 VanDerWaalsContact C-N 3.32Å; F141-L143 PolarHBondContact O-N 3.44Å; L143-F146 WeakPolarHBondContact O-CB 3.47Å; L143-F146 PolarHBondContact O-N 3.33Å; L143-F147 HydrophobicContact CD2-CD2 4.11Å; L143-F147 HydrophobicContact CD2-CE2 3.66Å; L143-F147 HydrophobicContact CG-CE2 4.17Å; L143-F147 VanDerWaalsContact O-CD2 3.22Å; L143-F147 WeakPolarHBondContact O-CD2 3.11Å; L143-F147 PolarHBondContact O-N 3.46Å
144L90.9Very high89Confident121 Ų12157 Ų5763%0.63428%0.283SS*.Hα-helixtrans-63.5-43.4173.8-71.7172.5000111.7A140 F141 F146 F147 Y148A140-L144 WeakPolarHBondContact O-CG 3.18Å; A140-L144 PolarHBondContact O-N 3.37Å; F141-L144 PolarHBondContact O-N 3.09Å; L144-F146 VanDerWaalsContact C-N 3.28Å; L144-F146 PolarHBondContact O-N 3.5Å; L144-F147 PolarHBondContact O-N 3.06Å; L144-Y148 PolarHBondContact O-N 3.39Å; L144-Y148 VanDerWaalsContact O-N 3.09Å
145S88.2Confident89.2Confident8 Ų863.1 Ų63.16%0.05631%0.307CS..Hα-helixtrans-63-35.2177.6-59.60000112F141 Y142 Y148 Y149F141-S145 WeakPolarHBondContact CE1-OG 3.49Å; F141-S145 WeakPolarHBondContact O-CB 3.38Å; F141-S145 PolarHBondContact O-N 3.37Å; F141-S145 PolarHBondContact O-OG 3.01Å; Y142-S145 PolarHBondContact O-N 2.93Å; S145-Y148 PolarHBondContact O-N 3.21Å; S145-Y149 WeakPolarHBondContact O-CD2 3.48Å; S145-Y149 PolarHBondContact O-N 3.35Å
146F90Very high89.3Confident62 Ų6263.2 Ų63.227%0.27230%0.304SS..Hα-helixtrans-60.4-49.3176.4-179.7-93000112.3L14 T17 A18 I21 Y142 L143 L144 Y148 Y149 L150L14-F146 HydrophobicContact CD2-CD2 3.86Å; L14-F146 HydrophobicContact CD2-CE2 3.76Å; L14-F146 HydrophobicContact CD2-CG 4.4Å; L14-F146 HydrophobicContact CD2-CZ 4.23Å; L14-F146 WeakPolarHBondContact CD2-O 3.06Å; T17-F146 HydrophobicContact CG2-CB 4.06Å; T17-F146 HydrophobicContact CG2-CD2 4.34Å; A18-F146 HydrophobicContact CB-CE2 4.42Å; I21-F146 HydrophobicContact CD1-CB 4.17Å; I21-F146 HydrophobicContact CD1-CD2 4.41Å; I21-F146 HydrophobicContact CD1-CG 4.4Å; Y142-F146 WeakPolarHBondContact O-CB 3.06Å; Y142-F146 PolarHBondContact O-N 3.41Å; L143-F146 WeakPolarHBondContact O-CB 3.47Å; L143-F146 PolarHBondContact O-N 3.33Å; L144-F146 VanDerWaalsContact C-N 3.28Å; L144-F146 PolarHBondContact O-N 3.5Å; F146-Y148 VanDerWaalsContact C-N 3.28Å; F146-Y148 PolarHBondContact O-N 2.91Å; F146-Y149 PolarHBondContact O-N 2.97Å; F146-L150 PolarHBondContact O-N 3.39Å
147F91.4Very high89.2Confident125 Ų12559.5 Ų59.555%0.54830%0.295SS..Hα-helixtrans-63.6-37.4175.9-70.6-64.4000112.1L143 L144 L150 Y151L143-F147 HydrophobicContact CD2-CD2 4.11Å; L143-F147 HydrophobicContact CD2-CE2 3.66Å; L143-F147 HydrophobicContact CG-CE2 4.17Å; L143-F147 VanDerWaalsContact O-CD2 3.22Å; L143-F147 WeakPolarHBondContact O-CD2 3.11Å; L143-F147 PolarHBondContact O-N 3.46Å; L144-F147 PolarHBondContact O-N 3.06Å; F147-L150 PolarHBondContact O-N 2.86Å; F147-Y151 PolarHBondContact O-N 3.48Å
148Y91Very high89.1Confident62 Ų6261 Ų6124%0.24330%0.301CS..Hα-helixtrans-64.9-43.9176.6178.3-100.2000112.5L89 T90 L93 L144 S145 F146 L150 Y151 G152L89-Y148 HydrophobicContact CD2-CE2 4.14Å; L89-Y148 WeakPolarHBondContact CD2-OH 3.21Å; T90-Y148 HydrophobicContact CG2-CE1 3.48Å; T90-Y148 VanDerWaalsContact CG2-CE1 3.48Å; T90-Y148 WeakPolarHBondContact CG2-OH 3.31Å; L93-Y148 HydrophobicContact CD1-CE1 4.31Å; L93-Y148 HydrophobicContact CD1-CE2 4.31Å; L144-Y148 PolarHBondContact O-N 3.39Å; L144-Y148 VanDerWaalsContact O-N 3.09Å; S145-Y148 PolarHBondContact O-N 3.21Å; F146-Y148 VanDerWaalsContact C-N 3.28Å; F146-Y148 PolarHBondContact O-N 2.91Å; Y148-L150 VanDerWaalsContact C-N 3.3Å; Y148-L150 PolarHBondContact O-N 3.39Å; Y148-Y151 PolarHBondContact O-N 3.06Å; Y148-G152 PolarHBondContact O-N 3.25Å
149Y89.9Confident88.9Confident0 Ų063.9 Ų63.90%032%0.323CS..Hα-helixtrans-65.1-33.7175.5-62.1-34.4000112.7Y10 A13 T17 F78 F82 N94 S145 F146 G152 M153Y10-Y149 HydrophobicContact CD1-CD1 4.22Å; Y10-Y149 HydrophobicContact CE1-CD1 4.24Å; A13-Y149 HydrophobicContact CB-CD2 4.32Å; A13-Y149 HydrophobicContact CB-CE2 4.5Å; T17-Y149 HydrophobicContact CG2-CD2 4.47Å; T17-Y149 HydrophobicContact CG2-CE2 4.4Å; T17-Y149 WeakPolarHBondContact OG1-CD2 3.45Å; T17-Y149 VanDerWaalsContact OG1-CE2 3.29Å; T17-Y149 WeakPolarHBondContact OG1-CE2 3.22Å; F78-Y149 VanDerWaalsContact CE2-OH 3.31Å; F78-Y149 WeakPolarHBondContact CE2-OH 3.48Å; F82-Y149 HydrophobicContact CE2-CD1 4.38Å; F82-Y149 AromaticContact CE2-CE1 3.64Å; F82-Y149 HydrophobicContact CE2-CE1 3.64Å; F82-Y149 AromaticContact CE2-CZ 3.82Å; F82-Y149 AromaticContact CZ-CD1 3.87Å; F82-Y149 HydrophobicContact CZ-CD1 3.87Å; F82-Y149 AromaticContact CZ-CE1 3.58Å; F82-Y149 HydrophobicContact CZ-CE1 3.58Å; N94-Y149 VanDerWaalsContact CG-OH 3.31Å; N94-Y149 PolarHBondContact ND2-OH 3.45Å; N94-Y149 PolarHBondContact OD1-OH 3.43Å; N94-Y149 VanDerWaalsContact OD1-OH 3.1Å; S145-Y149 WeakPolarHBondContact O-CD2 3.48Å; S145-Y149 PolarHBondContact O-N 3.35Å; F146-Y149 PolarHBondContact O-N 2.97Å; Y149-G152 PolarHBondContact O-N 3.42Å; Y149-M153 VanDerWaalsContact O-CB 3.31Å; Y149-M153 WeakPolarHBondContact O-CB 3.49Å; Y149-M153 PolarHBondContact O-N 3.45Å
150L90.1Very high87.8Confident63 Ų6365.8 Ų65.833%0.3334%0.339SS..Hα-helixtrans-63.5-47.6173.4-168.5162.2000110.4L14 F146 F147 Y148 M153 I154L14-L150 HydrophobicContact CD2-CB 4.16Å; F146-L150 PolarHBondContact O-N 3.39Å; F147-L150 PolarHBondContact O-N 2.86Å; Y148-L150 VanDerWaalsContact C-N 3.3Å; Y148-L150 PolarHBondContact O-N 3.39Å; L150-M153 PolarHBondContact O-N 2.93Å; L150-I154 HydrophobicContact CD2-CD1 3.48Å; L150-I154 VanDerWaalsContact CD2-CD1 3.48Å; L150-I154 HydrophobicContact CD2-CG1 4.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.18Å; L150-I154 PolarHBondContact O-N 3.27Å; L150-I154 VanDerWaalsContact O-N 3.09Å
151Y90.9Very high87.7Confident146 Ų14666.5 Ų66.557%0.57334%0.335SS*.Hα-helixtrans-59.8-48.2175.1173.8-97.6000112.1F147 Y148 M153 I154 Y155F147-Y151 PolarHBondContact O-N 3.48Å; Y148-Y151 PolarHBondContact O-N 3.06Å; Y151-M153 VanDerWaalsContact C-N 3.34Å; Y151-M153 PolarHBondContact O-N 2.9Å; Y151-I154 PolarHBondContact O-N 3.27Å; Y151-Y155 WeakPolarHBondContact O-CB 3.48Å; Y151-Y155 PolarHBondContact O-N 3.43Å
152G87.4Confident87.6Confident5 Ų567.7 Ų67.75%0.05234%0.342CS..Hα-helixtrans-59.3-42.9178.400000112.5Y148 Y149 Y155 V156Y148-G152 PolarHBondContact O-N 3.25Å; Y149-G152 PolarHBondContact O-N 3.42Å; G152-Y155 PolarHBondContact O-N 3.43Å; G152-V156 WeakPolarHBondContact O-CB 3.39Å; G152-V156 VanDerWaalsContact O-CG2 3.3Å; G152-V156 WeakPolarHBondContact O-CG2 3.26Å; G152-V156 PolarHBondContact O-N 3.05Å
153M89.1Confident87.5Confident34 Ų3471.4 Ų71.417%0.16736%0.361CS..Hα-helixtrans-58.3-51.3174.8-174.2-17069.400111.8M11 L14 Y149 L150 Y151 V156 L157M11-M153 HydrophobicContact CG-CG 4.18Å; M11-M153 HydrophobicContact CG-SD 3.75Å; M11-M153 HydrophobicContact SD-SD 3.84Å; L14-M153 HydrophobicContact CD1-CB 4.38Å; L14-M153 HydrophobicContact CD1-CE 4.18Å; L14-M153 HydrophobicContact CD1-SD 3.66Å; Y149-M153 VanDerWaalsContact O-CB 3.31Å; Y149-M153 WeakPolarHBondContact O-CB 3.49Å; Y149-M153 PolarHBondContact O-N 3.45Å; L150-M153 PolarHBondContact O-N 2.93Å; Y151-M153 VanDerWaalsContact C-N 3.34Å; Y151-M153 PolarHBondContact O-N 2.9Å; M153-V156 PolarHBondContact O-N 3.09Å; M153-L157 HydrophobicContact CG-CD1 3.87Å; M153-L157 WeakPolarHBondContact O-CB 3.3Å; M153-L157 VanDerWaalsContact O-CG 3.26Å; M153-L157 WeakPolarHBondContact O-CG 3.41Å; M153-L157 PolarHBondContact O-N 3.37Å
154I90.3Very high87.3Confident84 Ų8470.7 Ų70.743%0.43136%0.356SS..Hα-helixtrans-63-45.9-179.2-66.3176.6000110.3L150 Y151 V156 L157 V158L150-I154 HydrophobicContact CD2-CD1 3.48Å; L150-I154 VanDerWaalsContact CD2-CD1 3.48Å; L150-I154 HydrophobicContact CD2-CG1 4.26Å; L150-I154 WeakPolarHBondContact O-CG1 3.18Å; L150-I154 PolarHBondContact O-N 3.27Å; L150-I154 VanDerWaalsContact O-N 3.09Å; Y151-I154 PolarHBondContact O-N 3.27Å; I154-V156 PolarHBondContact O-N 3.41Å; I154-L157 PolarHBondContact O-N 3.06Å; I154-V158 HydrophobicContact CG2-CG2 4.08Å; I154-V158 WeakPolarHBondContact O-CB 3.42Å; I154-V158 VanDerWaalsContact O-CG2 3.27Å; I154-V158 WeakPolarHBondContact O-CG2 3.24Å; I154-V158 PolarHBondContact O-N 3.36Å
155Y88.7Confident87.1Confident143 Ų14367.6 Ų67.656%0.56134%0.339SS*.Hα-helixtrans-58.7-47.9180179.3-98.2000111.6Y151 G152 V158 S159Y151-Y155 WeakPolarHBondContact O-CB 3.48Å; Y151-Y155 PolarHBondContact O-N 3.43Å; G152-Y155 PolarHBondContact O-N 3.43Å; Y155-V158 PolarHBondContact O-N 2.98Å; Y155-S159 VanDerWaalsContact O-CB 3.24Å; Y155-S159 WeakPolarHBondContact O-CB 3.27Å; Y155-S159 PolarHBondContact O-N 2.65Å; Y155-S159 PolarHBondContact O-OG 2.99Å
156V86.4Confident87Confident16 Ų1671.5 Ų71.510%0.09736%0.358CS..Hα-helixtrans-63.9-42.2178.1173.90000111.3T4 A6 A7 Y10 G152 M153 I154 S159 S160T4-V156 WeakPolarHBondContact OG1-CG1 3.11Å; A6-V156 HydrophobicContact CB-CG1 4.21Å; A7-V156 HydrophobicContact CB-CG1 4.02Å; Y10-V156 HydrophobicContact CD2-CG2 4.23Å; Y10-V156 HydrophobicContact CE2-CG2 3.89Å; G152-V156 WeakPolarHBondContact O-CB 3.39Å; G152-V156 VanDerWaalsContact O-CG2 3.3Å; G152-V156 WeakPolarHBondContact O-CG2 3.26Å; G152-V156 PolarHBondContact O-N 3.05Å; M153-V156 PolarHBondContact O-N 3.09Å; I154-V156 PolarHBondContact O-N 3.41Å; V156-S159 PolarHBondContact O-N 3.46Å; V156-S159 PolarHBondContact O-OG 3.45Å; V156-S160 WeakPolarHBondContact O-CB 3.45Å; V156-S160 PolarHBondContact O-N 3.25Å; V156-S160 PolarHBondContact O-OG 3Å; V156-S160 VanDerWaalsContact O-OG 3.05Å
157L85.7Confident86.8Confident68 Ų6872.2 Ų72.236%0.35636%0.364SS..Hα-helixtrans-68-34.2179.9-73.6171.8000113.7A7 M153 I154 S160A7-L157 HydrophobicContact CB-CD2 3.89Å; A7-L157 HydrophobicContact CB-CG 4.36Å; M153-L157 HydrophobicContact CG-CD1 3.87Å; M153-L157 WeakPolarHBondContact O-CB 3.3Å; M153-L157 VanDerWaalsContact O-CG 3.26Å; M153-L157 WeakPolarHBondContact O-CG 3.41Å; M153-L157 PolarHBondContact O-N 3.37Å; I154-L157 PolarHBondContact O-N 3.06Å; L157-S160 PolarHBondContact O-OG 2.92Å
158V86.9Confident86.4Confident120 Ų12068.2 Ų68.273%0.72735%0.35SS*.Hα-helixtrans-78.9-31.7178.4173.30000111.5I154 Y155I154-V158 HydrophobicContact CG2-CG2 4.08Å; I154-V158 WeakPolarHBondContact O-CB 3.42Å; I154-V158 VanDerWaalsContact O-CG2 3.27Å; I154-V158 WeakPolarHBondContact O-CG2 3.24Å; I154-V158 PolarHBondContact O-N 3.36Å; Y155-V158 PolarHBondContact O-N 2.98Å
159S80.5Confident86Confident77 Ų7768.7 Ų68.754%0.53836%0.359SS..Hα-helixtrans-89.5-9.1-177.862.80000114.5Y155 V156Y155-S159 VanDerWaalsContact O-CB 3.24Å; Y155-S159 WeakPolarHBondContact O-CB 3.27Å; Y155-S159 PolarHBondContact O-N 2.65Å; Y155-S159 PolarHBondContact O-OG 2.99Å; V156-S159 PolarHBondContact O-N 3.46Å; V156-S159 PolarHBondContact O-OG 3.45Å
160S66.6Low85.7Confident68 Ų6874.9 Ų74.948%0.47639%0.392SS..  trans-93.50-178.466.70000115V156 L157V156-S160 WeakPolarHBondContact O-CB 3.45Å; V156-S160 PolarHBondContact O-N 3.25Å; V156-S160 PolarHBondContact O-OG 3Å; V156-S160 VanDerWaalsContact O-OG 3.05Å; L157-S160 PolarHBondContact O-OG 2.92Å

Retrieved 160 of 160 residues in 461.1 ms (Link to these results)

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