G4V9V8_SCHMA Loading...

DNAj-related

AlphaFold DB , UniProt , Accession G4V9V8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 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
1M61.1Low88.7Confident124 Ų12456.7 Ų56.761%0.61134%0.341SS*.  0122.90-74.2-165-177.200107.5L5 I51 Y52 I55M1-L5 HydrophobicContact SD-CD2 4.29Å; M1-I51 HydrophobicContact CE-CG2 4.13Å; M1-Y52 HydrophobicContact CE-CD1 4.4Å; M1-Y52 HydrophobicContact CE-CE1 4.26Å; M1-Y52 HydrophobicContact SD-CD1 4.22Å; M1-Y52 HydrophobicContact SD-CE1 4Å; M1-I55 HydrophobicContact CE-CD1 3.23Å; M1-I55 HydrophobicContact SD-CD1 3.71Å
2D79.1Confident89.1Confident129 Ų12966.6 Ų66.669%0.6937%0.367SS*.  trans-93.1-4.2-179-66.1-51.6000114.3W69 K72D2-W69 WeakPolarHBondContact O-CH2 2.99Å; D2-K72 IonicContact OD1-NZ 3.06Å; D2-K72 PolarHBondContact OD1-NZ 3.35Å
3V86.3Confident88.9Confident59 Ų5968.2 Ų68.236%0.35838%0.375SS..SBendtrans-93.9134.2-175.6-175.80000110.2L5 Y8 Y65V3-L5 PolarHBondContact O-N 3.48Å; V3-Y8 HydrophobicContact CG1-CD2 4.49Å; V3-Y65 PolarHBondContact O-OH 2.81Å
4D92Very high89.1Confident50 Ų5070.6 Ų70.627%0.26739%0.387SS..  trans-71.4105.4167.2-166.4-35000109.4Y6 A7 Y8 Y65 W69D4-Y6 VanDerWaalsContact C-N 3.26Å; D4-Y6 PolarHBondContact O-N 3.21Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.09Å; D4-Y6 PolarHBondContact OD1-N 3.42Å; D4-A7 HydrophobicContact CB-CB 3.72Å; D4-A7 PolarHBondContact O-N 2.96Å; D4-A7 PolarHBondContact OD1-N 3.44Å; D4-A7 VanDerWaalsContact OD1-N 3.16Å; D4-Y8 WeakPolarHBondContact O-CB 3.25Å; D4-Y8 PolarHBondContact O-N 3.44Å; D4-Y65 WeakPolarHBondContact CA-OH 3.46Å; D4-W69 HydrophobicContact CB-CH2 3.98Å; D4-W69 HydrophobicContact CB-CZ2 3.4Å; D4-W69 PolarHBondContact OD2-NE1 3.05Å; D4-W69 VanDerWaalsContact OD2-NE1 3.12Å
5L93.7Very high89.3Confident0 Ų066.5 Ų66.50%037%0.365CS..Hα-helixtrans-61-35.3179.6-59.9-175.7000112.1M1 V3 Y8 F9 Y52 I55 L56 Y65M1-L5 HydrophobicContact SD-CD2 4.29Å; V3-L5 PolarHBondContact O-N 3.48Å; L5-Y8 PolarHBondContact O-N 3.08Å; L5-F9 VanDerWaalsContact O-CD2 3.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.33Å; L5-F9 PolarHBondContact O-N 3.2Å; L5-F9 VanDerWaalsContact O-N 3.15Å; L5-Y52 HydrophobicContact CD2-CD1 3.44Å; L5-Y52 VanDerWaalsContact CD2-CD1 3.44Å; L5-Y52 HydrophobicContact CD2-CD2 4.08Å; L5-Y52 HydrophobicContact CD2-CE1 3.92Å; L5-Y52 HydrophobicContact CD2-CG 3.53Å; L5-I55 HydrophobicContact CD1-CB 4.05Å; L5-I55 HydrophobicContact CD1-CD1 4.32Å; L5-I55 HydrophobicContact CD1-CG2 3.65Å; L5-L56 HydrophobicContact CB-CD1 3.99Å; L5-L56 HydrophobicContact CB-CD2 4.04Å; L5-L56 HydrophobicContact CB-CG 4.12Å; L5-L56 HydrophobicContact CD1-CD2 4.09Å; L5-L56 HydrophobicContact CD1-CG 4.19Å; L5-Y65 HydrophobicContact CB-CE1 4.03Å; L5-Y65 HydrophobicContact CB-CE2 4.27Å; L5-Y65 HydrophobicContact CD1-CD1 4.16Å; L5-Y65 HydrophobicContact CD1-CD2 3.58Å; L5-Y65 HydrophobicContact CD1-CE1 4.08Å; L5-Y65 HydrophobicContact CD1-CE2 3.48Å; L5-Y65 VanDerWaalsContact CD1-CE2 3.48Å; L5-Y65 HydrophobicContact CD1-CG 3.94Å; L5-Y65 HydrophobicContact CG-CD2 4.13Å; L5-Y65 HydrophobicContact CG-CE1 4.11Å; L5-Y65 HydrophobicContact CG-CE2 3.47Å; L5-Y65 VanDerWaalsContact CG-CE2 3.47Å; L5-Y65 VanDerWaalsContact CG-CZ 3.48Å; L5-Y65 PolarHBondContact N-OH 3.45Å
6Y94.2Very high89.6Confident8 Ų866.8 Ų66.83%0.03137%0.37CS..Hα-helixtrans-67.9-48177.5-65.1-71.7000110.3D4 Y8 F9 G10 L11 R12 D13 L56 R62 Y65 D66D4-Y6 VanDerWaalsContact C-N 3.26Å; D4-Y6 PolarHBondContact O-N 3.21Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.09Å; D4-Y6 PolarHBondContact OD1-N 3.42Å; Y6-Y8 VanDerWaalsContact C-N 3.28Å; Y6-Y8 PolarHBondContact O-N 3.49Å; Y6-F9 CarbonylContact O-C 3.46Å; Y6-F9 PolarHBondContact O-N 2.74Å; Y6-F9 VanDerWaalsContact O-N 3.14Å; Y6-G10 PolarHBondContact O-N 2.91Å; Y6-L11 CarbonylContact C-O 3.39Å; Y6-L11 WeakPolarHBondContact CB-O 3.28Å; Y6-L11 HydrophobicContact CD1-CB 4.47Å; Y6-L11 PolarHBondContact O-N 3.43Å; Y6-R12 WeakPolarHBondContact CD1-O 3.38Å; Y6-D13 HydrophobicContact CD2-CB 4.23Å; Y6-D13 HydrophobicContact CE2-CB 4.32Å; Y6-L56 HydrophobicContact CE1-CD2 3.98Å; Y6-L56 HydrophobicContact CE2-CD2 4.39Å; Y6-R62 PolarHBondContact OH-NE 2.92Å; Y6-Y65 HydrophobicContact CD2-CE1 4.07Å; Y6-Y65 HydrophobicContact CE2-CD1 4.2Å; Y6-Y65 AromaticContact CE2-CE1 3.75Å; Y6-Y65 HydrophobicContact CE2-CE1 3.75Å; Y6-D66 VanDerWaalsContact CE2-OD1 3.29Å; Y6-D66 WeakPolarHBondContact CE2-OD1 3.46Å; Y6-D66 PolarHBondContact OH-OD1 3.43Å; Y6-D66 PolarHBondContact OH-OD2 3.02Å
7A93.2Very high89.9Confident67 Ų6766.5 Ų66.555%0.55437%0.371SS*.Hα-helixtrans-61.8-37.5175.800000111.9D4 F9 G10D4-A7 HydrophobicContact CB-CB 3.72Å; D4-A7 PolarHBondContact O-N 2.96Å; D4-A7 PolarHBondContact OD1-N 3.44Å; D4-A7 VanDerWaalsContact OD1-N 3.16Å; A7-F9 VanDerWaalsContact C-N 3.3Å; A7-F9 PolarHBondContact O-N 2.94Å; A7-G10 PolarHBondContact O-N 2.94Å
8Y93.6Very high90.1Very high61 Ų6172.2 Ų72.224%0.23939%0.391CS..Hα-helixtrans-59.2-40.7175.6-179.3-91.5000111.9V3 D4 L5 Y6 G10 K27 L49 Y52V3-Y8 HydrophobicContact CG1-CD2 4.49Å; D4-Y8 WeakPolarHBondContact O-CB 3.25Å; D4-Y8 PolarHBondContact O-N 3.44Å; L5-Y8 PolarHBondContact O-N 3.08Å; Y6-Y8 VanDerWaalsContact C-N 3.28Å; Y6-Y8 PolarHBondContact O-N 3.49Å; Y8-G10 VanDerWaalsContact C-N 3.31Å; Y8-K27 HydrophobicContact CD1-CD 4.34Å; Y8-K27 HydrophobicContact CE1-CD 3.83Å; Y8-K27 VanDerWaalsContact CE1-CE 3.49Å; Y8-K27 PolarHBondContact O-NZ 3.03Å; Y8-L49 HydrophobicContact CE1-CD1 4.21Å; Y8-Y52 AromaticContact CD1-CD2 3.67Å; Y8-Y52 HydrophobicContact CD1-CD2 3.67Å; Y8-Y52 HydrophobicContact CD1-CE2 4.3Å; Y8-Y52 HydrophobicContact CD2-CD2 4.25Å; Y8-Y52 HydrophobicContact CD2-CE2 4.05Å; Y8-Y52 AromaticContact CE1-CD2 3.59Å; Y8-Y52 HydrophobicContact CE1-CD2 3.59Å; Y8-Y52 HydrophobicContact CE1-CE2 4.18Å; Y8-Y52 HydrophobicContact CE2-CD2 4.18Å; Y8-Y52 AromaticContact CE2-CE2 3.92Å; Y8-Y52 HydrophobicContact CE2-CE2 3.92Å; Y8-Y52 HydrophobicContact CG-CD2 4.01Å; Y8-Y52 HydrophobicContact CG-CE2 4.23Å; Y8-Y52 AromaticContact CZ-CD2 3.84Å; Y8-Y52 AromaticContact CZ-CE2 3.98Å
9F94.2Very high90.4Very high18 Ų1871.6 Ų71.68%0.07939%0.387CS..Hα-helixtrans-84.7-0.8175.4-73.7-70.6000114L5 Y6 A7 L11 A23 Y24 K27 L49 F53 L56L5-F9 VanDerWaalsContact O-CD2 3.24Å; L5-F9 WeakPolarHBondContact O-CD2 3.33Å; L5-F9 PolarHBondContact O-N 3.2Å; L5-F9 VanDerWaalsContact O-N 3.15Å; Y6-F9 CarbonylContact O-C 3.46Å; Y6-F9 PolarHBondContact O-N 2.74Å; Y6-F9 VanDerWaalsContact O-N 3.14Å; A7-F9 VanDerWaalsContact C-N 3.3Å; A7-F9 PolarHBondContact O-N 2.94Å; F9-L11 HydrophobicContact CB-CD1 3.79Å; F9-L11 HydrophobicContact CB-CG 3.93Å; F9-L11 PolarHBondContact O-N 2.91Å; F9-A23 HydrophobicContact CB-CB 4.12Å; F9-A23 HydrophobicContact CD1-CB 4.28Å; F9-Y24 HydrophobicContact CE1-CD2 4.34Å; F9-K27 HydrophobicContact CD1-CD 4.3Å; F9-K27 HydrophobicContact CE1-CD 4.48Å; F9-L49 HydrophobicContact CE1-CD1 4.36Å; F9-L49 HydrophobicContact CE1-CG 4.48Å; F9-F53 HydrophobicContact CZ-CB 4.01Å; F9-L56 HydrophobicContact CD2-CD1 3.53Å; F9-L56 HydrophobicContact CE2-CD1 3.8Å
10G93.4Very high90.7Very high70 Ų7068 Ų6872%0.72237%0.368SS*.THydrogen-bonded Turntrans6531-174.400000112.6Y6 A7 Y8Y6-G10 PolarHBondContact O-N 2.91Å; A7-G10 PolarHBondContact O-N 2.94Å; Y8-G10 VanDerWaalsContact C-N 3.31Å
11L94.8Very high90.9Very high38 Ų3871.6 Ų71.620%0.19938%0.376CS..  trans-107.9157.6-178.9-65.4174.8000110.4Y6 F9 C15 D19 I20 A23Y6-L11 CarbonylContact C-O 3.39Å; Y6-L11 WeakPolarHBondContact CB-O 3.28Å; Y6-L11 HydrophobicContact CD1-CB 4.47Å; Y6-L11 PolarHBondContact O-N 3.43Å; F9-L11 HydrophobicContact CB-CD1 3.79Å; F9-L11 HydrophobicContact CB-CG 3.93Å; F9-L11 PolarHBondContact O-N 2.91Å; L11-C15 HydrophobicContact CB-CB 4.17Å; L11-C15 HydrophobicContact CD1-CB 4.46Å; L11-C15 HydrophobicContact CD2-CB 4.35Å; L11-D19 HydrophobicContact CD2-CB 4.16Å; L11-I20 HydrophobicContact CD1-CB 4.35Å; L11-I20 HydrophobicContact CD1-CG1 3.83Å; L11-A23 HydrophobicContact CD1-CB 3.84Å; L11-A23 HydrophobicContact CD2-CB 4.14Å; L11-A23 HydrophobicContact CG-CB 4.07Å
12R93.1Very high92.6Very high175 Ų17575.1 Ų75.166%0.6638%0.383SS*.  trans-84.8158.9165.9-69.3167.257.4123.81.4109.7Y6 D14 C15Y6-R12 WeakPolarHBondContact CD1-O 3.38Å; R12-D14 WeakPolarHBondContact CB-OD1 3.42Å; R12-D14 IonicContact CZ-OD2 3.37Å; R12-D14 IonicContact NE-OD1 3.25Å; R12-D14 PolarHBondContact NE-OD1 2.94Å; R12-D14 IonicContact NE-OD2 3.08Å; R12-D14 PolarHBondContact NE-OD2 2.78Å; R12-D14 VanDerWaalsContact NE-OD2 3.08Å; R12-D14 IonicContact NH2-OD2 2.81Å; R12-D14 PolarHBondContact NH2-OD2 3.4Å; R12-D14 PolarHBondContact O-N 2.82Å; R12-C15 VanDerWaalsContact O-CB 3.24Å; R12-C15 WeakPolarHBondContact O-CB 3.49Å; R12-C15 PolarHBondContact O-N 3.25Å; R12-C15 PolarHBondContact O-SG 3.24Å
13D87.1Confident93.4Very high88 Ų8869.7 Ų69.747%0.47136%0.356SS..THydrogen-bonded Turntrans-65.2-24.8177.250.7-2.4000112.9Y6 C15 R62 R73Y6-D13 HydrophobicContact CD2-CB 4.23Å; Y6-D13 HydrophobicContact CE2-CB 4.32Å; D13-C15 VanDerWaalsContact C-N 3.26Å; D13-C15 PolarHBondContact O-N 3.33Å; D13-R62 PolarHBondContact O-NH2 3.23Å; D13-R62 VanDerWaalsContact O-NH2 3.08Å; D13-R73 IonicContact OD2-NH1 3.94Å
14D91.2Very high93.9Very high101 Ų10169.4 Ų69.454%0.5435%0.349SS..THydrogen-bonded Turntrans-77.22.8173.562.99.7000115R12R12-D14 WeakPolarHBondContact CB-OD1 3.42Å; R12-D14 IonicContact CZ-OD2 3.37Å; R12-D14 IonicContact NE-OD1 3.25Å; R12-D14 PolarHBondContact NE-OD1 2.94Å; R12-D14 IonicContact NE-OD2 3.08Å; R12-D14 PolarHBondContact NE-OD2 2.78Å; R12-D14 VanDerWaalsContact NE-OD2 3.08Å; R12-D14 IonicContact NH2-OD2 2.81Å; R12-D14 PolarHBondContact NH2-OD2 3.4Å; R12-D14 PolarHBondContact O-N 2.82Å
15C92.8Very high94.1Very high9 Ų973.3 Ų73.36%0.06136%0.363CS..  trans-67147.1-174.167.30000114.3L11 R12 D13 D19 R62L11-C15 HydrophobicContact CB-CB 4.17Å; L11-C15 HydrophobicContact CD1-CB 4.46Å; L11-C15 HydrophobicContact CD2-CB 4.35Å; R12-C15 VanDerWaalsContact O-CB 3.24Å; R12-C15 WeakPolarHBondContact O-CB 3.49Å; R12-C15 PolarHBondContact O-N 3.25Å; R12-C15 PolarHBondContact O-SG 3.24Å; D13-C15 VanDerWaalsContact C-N 3.26Å; D13-C15 PolarHBondContact O-N 3.33Å; C15-D19 HydrophobicContact CB-CB 4.16Å; C15-R62 PolarHBondContact O-NH1 3.37Å; C15-R62 PolarHBondContact O-NH2 2.71Å
16T94.6Very high94.1Very high72 Ų7279.6 Ų79.644%0.44239%0.391SS..  trans-81.1161177.772.70000111.9K18 D19 I20T16-K18 PolarHBondContact O-N 2.83Å; T16-K18 VanDerWaalsContact O-N 3.13Å; T16-K18 PolarHBondContact OG1-N 3.28Å; T16-D19 WeakPolarHBondContact CB-OD2 3.1Å; T16-D19 PolarHBondContact N-OD2 3.3Å; T16-D19 WeakPolarHBondContact O-CB 3.48Å; T16-D19 PolarHBondContact O-N 3.49Å; T16-D19 VanDerWaalsContact OG1-CG 3.25Å; T16-D19 PolarHBondContact OG1-N 3.07Å; T16-D19 PolarHBondContact OG1-OD2 3.49Å; T16-I20 PolarHBondContact O-N 3.32Å; T16-I20 VanDerWaalsContact O-N 3.11Å
17T93.1Very high94.2Very high62 Ų6281.7 Ų81.738%0.3840%0.4SS..Hα-helixtrans-57.4-28.4174.1-46.20000112.5R21T17-R21 WeakPolarHBondContact O-CG 3.26Å; T17-R21 PolarHBondContact O-N 2.95Å; T17-R21 VanDerWaalsContact O-N 3.15Å
18K95Very high94.3Very high169 Ų16979.1 Ų79.174%0.73538%0.378SS*.Hα-helixtrans-68.2-40.6175.4-173-179.9178.6-1780111.3T16 R21 R22T16-K18 PolarHBondContact O-N 2.83Å; T16-K18 VanDerWaalsContact O-N 3.13Å; T16-K18 PolarHBondContact OG1-N 3.28Å; K18-R21 PolarHBondContact O-N 3.36Å; K18-R22 WeakPolarHBondContact O-CB 3.37Å; K18-R22 PolarHBondContact O-N 2.95Å
19D95.9Very high94.2Very high60 Ų6082.9 Ų82.932%0.32139%0.392SS..Hα-helixtrans-67.4-41.8178.5-56.8-44.3000111.1L11 C15 T16 R21 R22 A23L11-D19 HydrophobicContact CD2-CB 4.16Å; C15-D19 HydrophobicContact CB-CB 4.16Å; T16-D19 WeakPolarHBondContact CB-OD2 3.1Å; T16-D19 PolarHBondContact N-OD2 3.3Å; T16-D19 WeakPolarHBondContact O-CB 3.48Å; T16-D19 PolarHBondContact O-N 3.49Å; T16-D19 VanDerWaalsContact OG1-CG 3.25Å; T16-D19 PolarHBondContact OG1-N 3.07Å; T16-D19 PolarHBondContact OG1-OD2 3.49Å; D19-R21 PolarHBondContact O-N 3.45Å; D19-R22 PolarHBondContact O-N 3.22Å; D19-R22 VanDerWaalsContact O-N 3.15Å; D19-A23 WeakPolarHBondContact O-CB 3.38Å; D19-A23 PolarHBondContact O-N 2.71Å
20I95.5Very high94.1Very high0 Ų087.2 Ų87.20%041%0.413CS..Hα-helixtrans-57.7-47.4174.3-64.5164.4000110.8L11 T16 R22 A23 Y24 F53 L56 R62L11-I20 HydrophobicContact CD1-CB 4.35Å; L11-I20 HydrophobicContact CD1-CG1 3.83Å; T16-I20 PolarHBondContact O-N 3.32Å; T16-I20 VanDerWaalsContact O-N 3.11Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.05Å; I20-A23 PolarHBondContact O-N 3.19Å; I20-Y24 WeakPolarHBondContact O-CB 3.49Å; I20-Y24 PolarHBondContact O-N 3.03Å; I20-F53 HydrophobicContact CG2-CD2 3.87Å; I20-F53 HydrophobicContact CG2-CE2 3.98Å; I20-L56 HydrophobicContact CD1-CB 4.16Å; I20-L56 HydrophobicContact CG2-CB 3.84Å; I20-L56 HydrophobicContact CG2-CD1 4.47Å; I20-R62 VanDerWaalsContact CD1-NH1 3.26Å
21R95.5Very high94Very high144 Ų14485 Ų8554%0.54339%0.388SS..Hα-helixtrans-62.7-39.8176.3-71.4176.5-172.7175.94.2112.4T17 K18 D19 K25 F53T17-R21 WeakPolarHBondContact O-CG 3.26Å; T17-R21 PolarHBondContact O-N 2.95Å; T17-R21 VanDerWaalsContact O-N 3.15Å; K18-R21 PolarHBondContact O-N 3.36Å; D19-R21 PolarHBondContact O-N 3.45Å; R21-K25 WeakPolarHBondContact O-CB 3.48Å; R21-K25 PolarHBondContact O-N 2.97Å; R21-F53 HydrophobicContact CG-CE2 4.06Å; R21-F53 HydrophobicContact CG-CZ 4.12Å
22R96.1Very high93.9Very high198 Ų19887 Ų8775%0.74740%0.396SS*.Hα-helixtrans-65.6-45.8178.2-173.5-179.7-179.6-174.80.5111.3K18 D19 I20 K25 K26K18-R22 WeakPolarHBondContact O-CB 3.37Å; K18-R22 PolarHBondContact O-N 2.95Å; D19-R22 PolarHBondContact O-N 3.22Å; D19-R22 VanDerWaalsContact O-N 3.15Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.05Å; R22-K25 PolarHBondContact O-N 3.37Å; R22-K26 PolarHBondContact O-N 3.12Å
23A96.2Very high93.8Very high15 Ų1581 Ų8112%0.12438%0.379CS..Hα-helixtrans-63.5-44.7177.700000111.4F9 L11 D19 I20 K25 K26 K27F9-A23 HydrophobicContact CB-CB 4.12Å; F9-A23 HydrophobicContact CD1-CB 4.28Å; L11-A23 HydrophobicContact CD1-CB 3.84Å; L11-A23 HydrophobicContact CD2-CB 4.14Å; L11-A23 HydrophobicContact CG-CB 4.07Å; D19-A23 WeakPolarHBondContact O-CB 3.38Å; D19-A23 PolarHBondContact O-N 2.71Å; I20-A23 PolarHBondContact O-N 3.19Å; A23-K25 PolarHBondContact O-N 3.13Å; A23-K26 PolarHBondContact O-N 3.05Å; A23-K27 WeakPolarHBondContact O-CB 3.37Å; A23-K27 PolarHBondContact O-N 3.22Å
24Y96.4Very high94.1Very high52 Ų5281.8 Ų81.820%0.20438%0.384CS..Hα-helixtrans-57.6-49.6173.4174.3-105.3000111.7F9 I20 K26 K27 A28 L49 F53F9-Y24 HydrophobicContact CE1-CD2 4.34Å; I20-Y24 WeakPolarHBondContact O-CB 3.49Å; I20-Y24 PolarHBondContact O-N 3.03Å; Y24-K26 PolarHBondContact O-N 3.33Å; Y24-K27 PolarHBondContact O-N 3.34Å; Y24-A28 HydrophobicContact CE1-CB 4.43Å; Y24-A28 HydrophobicContact CE2-CB 4.43Å; Y24-A28 WeakPolarHBondContact O-CB 3.22Å; Y24-A28 PolarHBondContact O-N 3Å; Y24-L49 HydrophobicContact CD2-CD2 3.7Å; Y24-L49 HydrophobicContact CD2-CG 4.14Å; Y24-L49 HydrophobicContact CE2-CD2 3.31Å; Y24-L49 HydrophobicContact CE2-CG 4.07Å; Y24-F53 VanDerWaalsContact CB-CD2 3.43Å; Y24-F53 HydrophobicContact CD1-CD1 4.04Å; Y24-F53 HydrophobicContact CD1-CD2 4.17Å; Y24-F53 HydrophobicContact CD1-CE1 4.06Å; Y24-F53 HydrophobicContact CD1-CE2 4.2Å; Y24-F53 HydrophobicContact CD1-CG 4.08Å; Y24-F53 HydrophobicContact CD1-CZ 4.14Å; Y24-F53 HydrophobicContact CD2-CB 3.37Å; Y24-F53 AromaticContact CD2-CD1 3.98Å; Y24-F53 HydrophobicContact CD2-CD1 3.98Å; Y24-F53 AromaticContact CD2-CD2 3.92Å; Y24-F53 HydrophobicContact CD2-CD2 3.92Å; Y24-F53 AromaticContact CD2-CG 3.47Å; Y24-F53 HydrophobicContact CD2-CG 3.47Å; Y24-F53 VanDerWaalsContact CD2-CG 3.47Å; Y24-F53 HydrophobicContact CE1-CD1 4.09Å; Y24-F53 HydrophobicContact CE1-CE1 4.19Å; Y24-F53 HydrophobicContact CE1-CG 4.48Å; Y24-F53 HydrophobicContact CE2-CB 3.71Å; Y24-F53 AromaticContact CE2-CD1 3.98Å; Y24-F53 HydrophobicContact CE2-CD1 3.98Å; Y24-F53 AromaticContact CE2-CG 3.89Å; Y24-F53 HydrophobicContact CE2-CG 3.89Å; Y24-F53 HydrophobicContact CG-CB 3.98Å; Y24-F53 AromaticContact CG-CD1 3.98Å; Y24-F53 HydrophobicContact CG-CD1 3.98Å; Y24-F53 AromaticContact CG-CD2 3.57Å; Y24-F53 HydrophobicContact CG-CD2 3.57Å; Y24-F53 HydrophobicContact CG-CE1 4.36Å; Y24-F53 AromaticContact CG-CE2 4Å; Y24-F53 HydrophobicContact CG-CE2 4Å; Y24-F53 AromaticContact CG-CG 3.55Å; Y24-F53 HydrophobicContact CG-CG 3.55Å; Y24-F53 HydrophobicContact CG-CZ 4.37Å
25K95.6Very high94.1Very high132 Ų13284 Ų8457%0.57439%0.388SS*.Hα-helixtrans-63-31179.6-170.2-179.9175.11730112.8R21 R22 A23 R29R21-K25 WeakPolarHBondContact O-CB 3.48Å; R21-K25 PolarHBondContact O-N 2.97Å; R22-K25 PolarHBondContact O-N 3.37Å; A23-K25 PolarHBondContact O-N 3.13Å; K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 2.81Å; K25-R29 PolarHBondContact O-NE 2.78Å
26K95.6Very high94Very high133 Ų13386.1 Ų86.158%0.57840%0.399SS*.Hα-helixtrans-68.8-55.7174.1-175.1-173.6178.9-166.40109.8R22 A23 Y24 A28 R29 E30R22-K26 PolarHBondContact O-N 3.12Å; A23-K26 PolarHBondContact O-N 3.05Å; Y24-K26 PolarHBondContact O-N 3.33Å; K26-A28 PolarHBondContact O-N 2.79Å; K26-R29 WeakPolarHBondContact O-CB 3.41Å; K26-R29 PolarHBondContact O-N 2.87Å; K26-R29 VanDerWaalsContact O-N 3.11Å; K26-E30 VanDerWaalsContact CE-OE1 3.31Å; K26-E30 WeakPolarHBondContact CE-OE1 3.49Å; K26-E30 WeakPolarHBondContact CG-OE1 3.33Å; K26-E30 PolarHBondContact O-N 2.82Å
27K94.8Very high93.7Very high51 Ų5189.4 Ų89.422%0.22241%0.41CS..Hα-helixtrans-69.3-34-174.6-161.4174.5-177.91690113Y8 F9 A23 Y24 R29 E30 A31 L49Y8-K27 HydrophobicContact CD1-CD 4.34Å; Y8-K27 HydrophobicContact CE1-CD 3.83Å; Y8-K27 VanDerWaalsContact CE1-CE 3.49Å; Y8-K27 PolarHBondContact O-NZ 3.03Å; F9-K27 HydrophobicContact CD1-CD 4.3Å; F9-K27 HydrophobicContact CE1-CD 4.48Å; A23-K27 WeakPolarHBondContact O-CB 3.37Å; A23-K27 PolarHBondContact O-N 3.22Å; Y24-K27 PolarHBondContact O-N 3.34Å; K27-R29 VanDerWaalsContact C-N 3.3Å; K27-R29 PolarHBondContact O-N 2.83Å; K27-E30 PolarHBondContact O-N 2.87Å; K27-A31 WeakPolarHBondContact O-CB 3.26Å; K27-A31 PolarHBondContact O-N 2.96Å; K27-L49 HydrophobicContact CB-CD1 3.67Å; K27-L49 HydrophobicContact CD-CD1 3.54Å; K27-L49 HydrophobicContact CG-CD1 3.34Å
28A94.9Very high93.6Very high13 Ų1394.4 Ų94.411%0.10743%0.434CS..Hα-helixtrans-63.1-33.6171.500000112.8Y24 K26 E30 H32 F46 L49Y24-A28 HydrophobicContact CE1-CB 4.43Å; Y24-A28 HydrophobicContact CE2-CB 4.43Å; Y24-A28 WeakPolarHBondContact O-CB 3.22Å; Y24-A28 PolarHBondContact O-N 3Å; K26-A28 PolarHBondContact O-N 2.79Å; A28-E30 VanDerWaalsContact C-N 3.31Å; A28-H32 WeakPolarHBondContact O-CB 3.31Å; A28-H32 PolarHBondContact O-N 3.44Å; A28-F46 HydrophobicContact CB-CE2 3.96Å; A28-L49 HydrophobicContact CB-CD2 3.84Å
29R93.5Very high93.4Very high141 Ų14189.7 Ų89.753%0.53242%0.417SS..Hα-helixtrans-73.6-24.4176.4-85.3-175.5-88.9175.6-7.6113.2K25 K26 K27 K35K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 2.81Å; K25-R29 PolarHBondContact O-NE 2.78Å; K26-R29 WeakPolarHBondContact O-CB 3.41Å; K26-R29 PolarHBondContact O-N 2.87Å; K26-R29 VanDerWaalsContact O-N 3.11Å; K27-R29 VanDerWaalsContact C-N 3.3Å; K27-R29 PolarHBondContact O-N 2.83Å; R29-K35 WeakPolarHBondContact O-CD 3.39Å; R29-K35 PolarHBondContact O-NZ 3.49Å
30E91.6Very high93.1Very high109 Ų10992.5 Ų92.551%0.50944%0.438SS..Hα-helixtrans-85.9-44.2177.2-67.3163.6-175.900110.1K26 K27 A28 H32 N36K26-E30 VanDerWaalsContact CE-OE1 3.31Å; K26-E30 WeakPolarHBondContact CE-OE1 3.49Å; K26-E30 WeakPolarHBondContact CG-OE1 3.33Å; K26-E30 PolarHBondContact O-N 2.82Å; K27-E30 PolarHBondContact O-N 2.87Å; A28-E30 VanDerWaalsContact C-N 3.31Å; E30-H32 PolarHBondContact O-N 2.81Å; E30-N36 PolarHBondContact O-ND2 2.8Å
31A91.7Very high92.9Very high23 Ų2396.9 Ų96.919%0.1946%0.461CS..SBendtrans-88.610.4-177.300000114.7K27K27-A31 WeakPolarHBondContact O-CB 3.26Å; K27-A31 PolarHBondContact O-N 2.96Å
32H91.7Very high92.8Very high79 Ų7990.3 Ų90.337%0.36644%0.437SS..  trans-65134.6-177.6-166.4-92000110.6A28 E30 D34 K35 N36A28-H32 WeakPolarHBondContact O-CB 3.31Å; A28-H32 PolarHBondContact O-N 3.44Å; E30-H32 PolarHBondContact O-N 2.81Å; H32-D34 VanDerWaalsContact CE1-CB 3.44Å; H32-D34 WeakPolarHBondContact CE1-CB 3.38Å; H32-D34 WeakPolarHBondContact ND1-CB 3.33Å; H32-D34 PolarHBondContact ND1-N 2.9Å; H32-D34 VanDerWaalsContact ND1-N 3.13Å; H32-D34 PolarHBondContact O-N 2.77Å; H32-K35 PolarHBondContact O-N 2.86Å; H32-N36 PolarHBondContact O-N 3.44Å; H32-N36 PolarHBondContact O-ND2 2.94Å
33P92.1Very high92.5Very high49 Ų4987.6 Ų87.632%0.31843%0.431SS..G310 helixtrans-59.9-32.8-177.922.5-33.6000112.9K35 N36 Q37 A42P33-K35 VanDerWaalsContact C-N 3.26Å; P33-K35 PolarHBondContact O-N 2.87Å; P33-N36 CarbonylContact O-C 3.29Å; P33-N36 VanDerWaalsContact O-C 3.29Å; P33-N36 PolarHBondContact O-N 2.97Å; P33-N36 VanDerWaalsContact O-N 3.12Å; P33-Q37 PolarHBondContact O-N 2.81Å; P33-A42 HydrophobicContact CB-CB 4.5Å
34D92.1Very high92.4Very high105 Ų10592.1 Ų92.156%0.56145%0.45SS*.G310 helixtrans-63.3-27.4176.6-169.549000114.1H32 Q37H32-D34 VanDerWaalsContact CE1-CB 3.44Å; H32-D34 WeakPolarHBondContact CE1-CB 3.38Å; H32-D34 WeakPolarHBondContact ND1-CB 3.33Å; H32-D34 PolarHBondContact ND1-N 2.9Å; H32-D34 VanDerWaalsContact ND1-N 3.13Å; H32-D34 PolarHBondContact O-N 2.77Å; D34-Q37 WeakPolarHBondContact O-CG 3.45Å; D34-Q37 PolarHBondContact O-NE2 3.41Å; D34-Q37 PolarHBondContact OD1-NE2 3.42Å; D34-Q37 VanDerWaalsContact OD1-NE2 3.09Å
35K91.7Very high92.2Very high147 Ų14791.7 Ų91.764%0.63946%0.455SS*.G310 helixtrans-91.1-14.4175.5-69.2-171.2-177.51760113.3R29 H32 P33R29-K35 WeakPolarHBondContact O-CD 3.39Å; R29-K35 PolarHBondContact O-NZ 3.49Å; H32-K35 PolarHBondContact O-N 2.86Å; P33-K35 VanDerWaalsContact C-N 3.26Å; P33-K35 PolarHBondContact O-N 2.87Å
36N91.2Very high92.1Very high54 Ų5487.9 Ų87.929%0.28944%0.438SS..  trans-122.542.9-174.8-60.3-74.9000109.6E30 H32 P33 D38 N39 A42E30-N36 PolarHBondContact O-ND2 2.8Å; H32-N36 PolarHBondContact O-N 3.44Å; H32-N36 PolarHBondContact O-ND2 2.94Å; P33-N36 CarbonylContact O-C 3.29Å; P33-N36 VanDerWaalsContact O-C 3.29Å; P33-N36 PolarHBondContact O-N 2.97Å; P33-N36 VanDerWaalsContact O-N 3.12Å; N36-D38 PolarHBondContact O-N 2.99Å; N36-N39 HydrophobicContact CB-CB 4.39Å; N36-N39 PolarHBondContact O-N 2.83Å; N36-A42 HydrophobicContact CB-CB 3.67Å; N36-A42 WeakPolarHBondContact O-CB 3.5Å
37Q87.8Confident92Very high141 Ų14186.5 Ų86.566%0.65943%0.434SS*.THydrogen-bonded Turntrans-61.1-29.4-175.9-64.7-179.7-6.800111.9P33 D34 N39P33-Q37 PolarHBondContact O-N 2.81Å; D34-Q37 WeakPolarHBondContact O-CG 3.45Å; D34-Q37 PolarHBondContact O-NE2 3.41Å; D34-Q37 PolarHBondContact OD1-NE2 3.42Å; D34-Q37 VanDerWaalsContact OD1-NE2 3.09Å; Q37-N39 VanDerWaalsContact C-N 3.28Å; Q37-N39 PolarHBondContact O-N 3.43Å
38D91.4Very high92Very high167 Ų16788.4 Ų88.489%0.89344%0.443SS*.THydrogen-bonded Turntrans-75.1-14.1177.9-54.5-39.5000113.5N36 P40N36-D38 PolarHBondContact O-N 2.99Å; D38-P40 WeakPolarHBondContact O-CD 3.4Å
39N89.7Confident92Very high71 Ų7187.8 Ų87.838%0.3844%0.438SS..  trans-101.9109.3-178.3-175.4-6.8000110.8N36 Q37 L41 A42N36-N39 HydrophobicContact CB-CB 4.39Å; N36-N39 PolarHBondContact O-N 2.83Å; Q37-N39 VanDerWaalsContact C-N 3.28Å; Q37-N39 PolarHBondContact O-N 3.43Å; N39-L41 PolarHBondContact O-N 3.26Å; N39-L41 VanDerWaalsContact O-N 3.11Å; N39-L41 WeakPolarHBondContact OD1-CB 3.43Å; N39-L41 PolarHBondContact OD1-N 3.03Å; N39-A42 HydrophobicContact CB-CB 4.27Å; N39-A42 WeakPolarHBondContact O-CB 2.96Å; N39-A42 PolarHBondContact O-N 3.38Å
40P89.7Confident92Very high118 Ų11882.6 Ų82.677%0.76643%0.426SS*.THydrogen-bonded Turntrans-61.9-23.918025.7-34.2000113D38 A42D38-P40 WeakPolarHBondContact O-CD 3.4Å; P40-A42 VanDerWaalsContact C-N 3.33Å
41L92.1Very high92.2Very high93 Ų9381.8 Ų81.849%0.48742%0.424SS..THydrogen-bonded Turntrans-86.8-0178.8-57.3176.2000113.3N39 K43 E44 S45N39-L41 PolarHBondContact O-N 3.26Å; N39-L41 VanDerWaalsContact O-N 3.11Å; N39-L41 WeakPolarHBondContact OD1-CB 3.43Å; N39-L41 PolarHBondContact OD1-N 3.03Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.79Å; L41-E44 PolarHBondContact O-N 3.13Å; L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.01Å; L41-S45 PolarHBondContact O-OG 3.15Å
42A92.2Very high92.4Very high5 Ų582.2 Ų82.24%0.04142%0.421CS..Hα-helixtrans-60.2-41.3-178.100000112P33 N36 N39 P40 S45 F46P33-A42 HydrophobicContact CB-CB 4.5Å; N36-A42 HydrophobicContact CB-CB 3.67Å; N36-A42 WeakPolarHBondContact O-CB 3.5Å; N39-A42 HydrophobicContact CB-CB 4.27Å; N39-A42 WeakPolarHBondContact O-CB 2.96Å; N39-A42 PolarHBondContact O-N 3.38Å; P40-A42 VanDerWaalsContact C-N 3.33Å; A42-S45 PolarHBondContact O-N 2.99Å; A42-F46 WeakPolarHBondContact O-CB 3.41Å; A42-F46 PolarHBondContact O-N 3.16Å
43K91.2Very high92.5Very high142 Ų14279.6 Ų79.662%0.61741%0.408SS*.Hα-helixtrans-63.7-45.8178.2-172.7178.3-179.6-178.70111.7L41 F46 Q47L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 2.79Å; K43-F46 PolarHBondContact O-N 2.74Å; K43-Q47 WeakPolarHBondContact O-CG 3.42Å; K43-Q47 PolarHBondContact O-N 2.9Å
44E93.3Very high92.7Very high109 Ų10980.5 Ų80.551%0.50941%0.408SS..Hα-helixtrans-65.6-43.9178.6-64-174.1171.300111.5L41 F46 Q47 Q48L41-E44 PolarHBondContact O-N 3.13Å; E44-F46 VanDerWaalsContact C-N 3.3Å; E44-F46 PolarHBondContact O-N 3.38Å; E44-Q47 WeakPolarHBondContact O-CB 3.5Å; E44-Q47 PolarHBondContact O-N 3.28Å; E44-Q48 WeakPolarHBondContact O-CG 3.17Å; E44-Q48 PolarHBondContact O-N 3.45Å
45S91.6Very high92.8Very high44 Ų4476.9 Ų76.931%0.30839%0.389SS..Hα-helixtrans-60.5-40.6177-60.40000111.7L41 A42 Q48 L49L41-S45 WeakPolarHBondContact O-CB 3.41Å; L41-S45 PolarHBondContact O-N 3.01Å; L41-S45 PolarHBondContact O-OG 3.15Å; A42-S45 PolarHBondContact O-N 2.99Å; S45-Q48 PolarHBondContact O-N 3.31Å; S45-L49 WeakPolarHBondContact O-CB 3.38Å; S45-L49 PolarHBondContact O-N 2.51Å
46F94.3Very high93Very high52 Ų5269.9 Ų69.923%0.22836%0.358CS..Hα-helixtrans-67.8-39.2175.9-171.1-95.4000112.3A28 A42 K43 E44 L49 A50A28-F46 HydrophobicContact CB-CE2 3.96Å; A42-F46 WeakPolarHBondContact O-CB 3.41Å; A42-F46 PolarHBondContact O-N 3.16Å; K43-F46 PolarHBondContact O-N 2.74Å; E44-F46 VanDerWaalsContact C-N 3.3Å; E44-F46 PolarHBondContact O-N 3.38Å; F46-L49 HydrophobicContact CD2-CD2 4.3Å; F46-L49 HydrophobicContact CE2-CD2 4.33Å; F46-L49 WeakPolarHBondContact O-CB 3.23Å; F46-L49 PolarHBondContact O-N 2.88Å; F46-A50 PolarHBondContact O-N 2.92Å
47Q93.8Very high93.1Very high103 Ų10373.3 Ų73.348%0.48137%0.367SS..Hα-helixtrans-62.9-44.8173.6-73.8174.4-11.200111.7K43 E44 L49 A50 I51K43-Q47 WeakPolarHBondContact O-CG 3.42Å; K43-Q47 PolarHBondContact O-N 2.9Å; E44-Q47 WeakPolarHBondContact O-CB 3.5Å; E44-Q47 PolarHBondContact O-N 3.28Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-L49 PolarHBondContact O-N 3.32Å; Q47-A50 WeakPolarHBondContact O-CB 3.37Å; Q47-A50 PolarHBondContact O-N 3.07Å; Q47-I51 WeakPolarHBondContact O-CG1 3.48Å; Q47-I51 PolarHBondContact O-N 3.44Å
48Q93.8Very high93.4Very high91 Ų9168.9 Ų68.943%0.42535%0.348SS..Hα-helixtrans-59.9-44.6175-72.5178.5-2.100111.8E44 S45 A50 I51 Y52E44-Q48 WeakPolarHBondContact O-CG 3.17Å; E44-Q48 PolarHBondContact O-N 3.45Å; S45-Q48 PolarHBondContact O-N 3.31Å; Q48-A50 VanDerWaalsContact C-N 3.3Å; Q48-A50 PolarHBondContact O-N 3.03Å; Q48-I51 PolarHBondContact O-N 3.45Å; Q48-Y52 VanDerWaalsContact O-CG 3.27Å; Q48-Y52 PolarHBondContact O-N 3.34Å
49L95.1Very high93.5Very high0 Ų065.3 Ų65.30%033%0.334CS..Hα-helixtrans-57.1-42.9175.2175.4123.9000112.1Y8 F9 Y24 K27 A28 S45 F46 Q47 Y52 F53Y8-L49 HydrophobicContact CE1-CD1 4.21Å; F9-L49 HydrophobicContact CE1-CD1 4.36Å; F9-L49 HydrophobicContact CE1-CG 4.48Å; Y24-L49 HydrophobicContact CD2-CD2 3.7Å; Y24-L49 HydrophobicContact CD2-CG 4.14Å; Y24-L49 HydrophobicContact CE2-CD2 3.31Å; Y24-L49 HydrophobicContact CE2-CG 4.07Å; K27-L49 HydrophobicContact CB-CD1 3.67Å; K27-L49 HydrophobicContact CD-CD1 3.54Å; K27-L49 HydrophobicContact CG-CD1 3.34Å; A28-L49 HydrophobicContact CB-CD2 3.84Å; S45-L49 WeakPolarHBondContact O-CB 3.38Å; S45-L49 PolarHBondContact O-N 2.51Å; F46-L49 HydrophobicContact CD2-CD2 4.3Å; F46-L49 HydrophobicContact CE2-CD2 4.33Å; F46-L49 WeakPolarHBondContact O-CB 3.23Å; F46-L49 PolarHBondContact O-N 2.88Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-L49 PolarHBondContact O-N 3.32Å; L49-Y52 PolarHBondContact O-N 3.1Å; L49-F53 WeakPolarHBondContact O-CB 3.45Å; L49-F53 PolarHBondContact O-N 3.28Å
50A95.1Very high93.8Very high33 Ų3365.7 Ų65.727%0.27334%0.339SS..Hα-helixtrans-65-42.1175.600000112.3F46 Q47 Q48 F53 E54F46-A50 PolarHBondContact O-N 2.92Å; Q47-A50 WeakPolarHBondContact O-CB 3.37Å; Q47-A50 PolarHBondContact O-N 3.07Å; Q48-A50 VanDerWaalsContact C-N 3.3Å; Q48-A50 PolarHBondContact O-N 3.03Å; A50-F53 PolarHBondContact O-N 2.99Å; A50-E54 WeakPolarHBondContact O-CB 3.36Å; A50-E54 PolarHBondContact O-N 3.49Å
51I94.7Very high94.1Very high92 Ų9263.8 Ų63.847%0.47232%0.318SS..Hα-helixtrans-60.4-47.1176.1-67.9164.3000110.8M1 Q47 Q48 F53 E54 I55M1-I51 HydrophobicContact CE-CG2 4.13Å; Q47-I51 WeakPolarHBondContact O-CG1 3.48Å; Q47-I51 PolarHBondContact O-N 3.44Å; Q48-I51 PolarHBondContact O-N 3.45Å; I51-F53 PolarHBondContact O-N 3.41Å; I51-E54 PolarHBondContact O-N 2.84Å; I51-I55 HydrophobicContact CG2-CD1 4.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.2Å; I51-I55 PolarHBondContact O-N 2.99Å; I51-I55 VanDerWaalsContact O-N 3.15Å
52Y95.2Very high94.2Very high32 Ų3261.2 Ų61.213%0.12530%0.302CS..Hα-helixtrans-63.8-41179.1-65.1-16.4000112.4M1 L5 Y8 Q48 L49 E54 I55 L56M1-Y52 HydrophobicContact CE-CD1 4.4Å; M1-Y52 HydrophobicContact CE-CE1 4.26Å; M1-Y52 HydrophobicContact SD-CD1 4.22Å; M1-Y52 HydrophobicContact SD-CE1 4Å; L5-Y52 HydrophobicContact CD2-CD1 3.44Å; L5-Y52 VanDerWaalsContact CD2-CD1 3.44Å; L5-Y52 HydrophobicContact CD2-CD2 4.08Å; L5-Y52 HydrophobicContact CD2-CE1 3.92Å; L5-Y52 HydrophobicContact CD2-CG 3.53Å; Y8-Y52 AromaticContact CD1-CD2 3.67Å; Y8-Y52 HydrophobicContact CD1-CD2 3.67Å; Y8-Y52 HydrophobicContact CD1-CE2 4.3Å; Y8-Y52 HydrophobicContact CD2-CD2 4.25Å; Y8-Y52 HydrophobicContact CD2-CE2 4.05Å; Y8-Y52 AromaticContact CE1-CD2 3.59Å; Y8-Y52 HydrophobicContact CE1-CD2 3.59Å; Y8-Y52 HydrophobicContact CE1-CE2 4.18Å; Y8-Y52 HydrophobicContact CE2-CD2 4.18Å; Y8-Y52 AromaticContact CE2-CE2 3.92Å; Y8-Y52 HydrophobicContact CE2-CE2 3.92Å; Y8-Y52 HydrophobicContact CG-CD2 4.01Å; Y8-Y52 HydrophobicContact CG-CE2 4.23Å; Y8-Y52 AromaticContact CZ-CD2 3.84Å; Y8-Y52 AromaticContact CZ-CE2 3.98Å; Q48-Y52 VanDerWaalsContact O-CG 3.27Å; Q48-Y52 PolarHBondContact O-N 3.34Å; L49-Y52 PolarHBondContact O-N 3.1Å; Y52-E54 VanDerWaalsContact C-N 3.35Å; Y52-I55 PolarHBondContact O-N 2.97Å; Y52-L56 PolarHBondContact O-N 3.06Å
53F95.6Very high94.3Very high23 Ų2368.6 Ų68.610%0.10133%0.329CS..Hα-helixtrans-63.4-41.7175.1171.3-110.8000112F9 I20 R21 Y24 L49 A50 I51 I55 L56 R57F9-F53 HydrophobicContact CZ-CB 4.01Å; I20-F53 HydrophobicContact CG2-CD2 3.87Å; I20-F53 HydrophobicContact CG2-CE2 3.98Å; R21-F53 HydrophobicContact CG-CE2 4.06Å; R21-F53 HydrophobicContact CG-CZ 4.12Å; Y24-F53 VanDerWaalsContact CB-CD2 3.43Å; Y24-F53 HydrophobicContact CD1-CD1 4.04Å; Y24-F53 HydrophobicContact CD1-CD2 4.17Å; Y24-F53 HydrophobicContact CD1-CE1 4.06Å; Y24-F53 HydrophobicContact CD1-CE2 4.2Å; Y24-F53 HydrophobicContact CD1-CG 4.08Å; Y24-F53 HydrophobicContact CD1-CZ 4.14Å; Y24-F53 HydrophobicContact CD2-CB 3.37Å; Y24-F53 AromaticContact CD2-CD1 3.98Å; Y24-F53 HydrophobicContact CD2-CD1 3.98Å; Y24-F53 AromaticContact CD2-CD2 3.92Å; Y24-F53 HydrophobicContact CD2-CD2 3.92Å; Y24-F53 AromaticContact CD2-CG 3.47Å; Y24-F53 HydrophobicContact CD2-CG 3.47Å; Y24-F53 VanDerWaalsContact CD2-CG 3.47Å; Y24-F53 HydrophobicContact CE1-CD1 4.09Å; Y24-F53 HydrophobicContact CE1-CE1 4.19Å; Y24-F53 HydrophobicContact CE1-CG 4.48Å; Y24-F53 HydrophobicContact CE2-CB 3.71Å; Y24-F53 AromaticContact CE2-CD1 3.98Å; Y24-F53 HydrophobicContact CE2-CD1 3.98Å; Y24-F53 AromaticContact CE2-CG 3.89Å; Y24-F53 HydrophobicContact CE2-CG 3.89Å; Y24-F53 HydrophobicContact CG-CB 3.98Å; Y24-F53 AromaticContact CG-CD1 3.98Å; Y24-F53 HydrophobicContact CG-CD1 3.98Å; Y24-F53 AromaticContact CG-CD2 3.57Å; Y24-F53 HydrophobicContact CG-CD2 3.57Å; Y24-F53 HydrophobicContact CG-CE1 4.36Å; Y24-F53 AromaticContact CG-CE2 4Å; Y24-F53 HydrophobicContact CG-CE2 4Å; Y24-F53 AromaticContact CG-CG 3.55Å; Y24-F53 HydrophobicContact CG-CG 3.55Å; Y24-F53 HydrophobicContact CG-CZ 4.37Å; L49-F53 WeakPolarHBondContact O-CB 3.45Å; L49-F53 PolarHBondContact O-N 3.28Å; A50-F53 PolarHBondContact O-N 2.99Å; I51-F53 PolarHBondContact O-N 3.41Å; F53-I55 VanDerWaalsContact C-N 3.29Å; F53-I55 PolarHBondContact O-N 3.19Å; F53-L56 PolarHBondContact O-N 3.34Å; F53-R57 HydrophobicContact CE1-CB 4.38Å; F53-R57 HydrophobicContact CE1-CG 4.47Å; F53-R57 HydrophobicContact CE2-CB 4.21Å; F53-R57 HydrophobicContact CZ-CB 4.14Å; F53-R57 HydrophobicContact CZ-CG 4.15Å; F53-R57 WeakPolarHBondContact O-CB 3.34Å; F53-R57 PolarHBondContact O-N 3.38Å
54E95.3Very high94.4Very high68 Ų6866.6 Ų66.632%0.31832%0.322SS..Hα-helixtrans-63.2-35.3179.9-17756.9-157.900112.2A50 I51 Y52 R57 D58 K61A50-E54 WeakPolarHBondContact O-CB 3.36Å; A50-E54 PolarHBondContact O-N 3.49Å; I51-E54 PolarHBondContact O-N 2.84Å; Y52-E54 VanDerWaalsContact C-N 3.35Å; E54-R57 IonicContact OE2-NH1 3.38Å; E54-R57 PolarHBondContact OE2-NH1 3.34Å; E54-D58 PolarHBondContact O-N 2.96Å; E54-K61 IonicContact OE1-NZ 3.73Å; E54-K61 PolarHBondContact OE1-NZ 3.36Å
55I94.7Very high94.5Very high29 Ų2962.3 Ų62.315%0.14930%0.301CS..Hα-helixtrans-65.6-45.5173.3-66.7166.2000111.3M1 L5 I51 Y52 F53 K61 R62 Y65M1-I55 HydrophobicContact CE-CD1 3.23Å; M1-I55 HydrophobicContact SD-CD1 3.71Å; L5-I55 HydrophobicContact CD1-CB 4.05Å; L5-I55 HydrophobicContact CD1-CD1 4.32Å; L5-I55 HydrophobicContact CD1-CG2 3.65Å; I51-I55 HydrophobicContact CG2-CD1 4.3Å; I51-I55 WeakPolarHBondContact O-CG1 3.2Å; I51-I55 PolarHBondContact O-N 2.99Å; I51-I55 VanDerWaalsContact O-N 3.15Å; Y52-I55 PolarHBondContact O-N 2.97Å; F53-I55 VanDerWaalsContact C-N 3.29Å; F53-I55 PolarHBondContact O-N 3.19Å; I55-K61 HydrophobicContact CG2-CB 4.41Å; I55-K61 CarbonylContact O-C 3.54Å; I55-K61 WeakPolarHBondContact O-CB 3.38Å; I55-R62 WeakPolarHBondContact O-CA 3.45Å; I55-R62 PolarHBondContact O-N 3.42Å; I55-R62 VanDerWaalsContact O-N 3.08Å; I55-Y65 HydrophobicContact CG2-CD2 4.45Å; I55-Y65 HydrophobicContact CG2-CG 4.19Å
56L94.5Very high94.5Very high1 Ų162.9 Ų62.91%0.00530%0.301CS..Hα-helixtrans-77.2-25.1-177.5-67.7-174.9000113.6L5 Y6 F9 I20 Y52 F53 Y65L5-L56 HydrophobicContact CB-CD1 3.99Å; L5-L56 HydrophobicContact CB-CD2 4.04Å; L5-L56 HydrophobicContact CB-CG 4.12Å; L5-L56 HydrophobicContact CD1-CD2 4.09Å; L5-L56 HydrophobicContact CD1-CG 4.19Å; Y6-L56 HydrophobicContact CE1-CD2 3.98Å; Y6-L56 HydrophobicContact CE2-CD2 4.39Å; F9-L56 HydrophobicContact CD2-CD1 3.53Å; F9-L56 HydrophobicContact CE2-CD1 3.8Å; I20-L56 HydrophobicContact CD1-CB 4.16Å; I20-L56 HydrophobicContact CG2-CB 3.84Å; I20-L56 HydrophobicContact CG2-CD1 4.47Å; Y52-L56 PolarHBondContact O-N 3.06Å; F53-L56 PolarHBondContact O-N 3.34Å; L56-Y65 HydrophobicContact CD2-CD1 4.29Å
57R93.3Very high94.5Very high125 Ų12566.4 Ų66.447%0.47232%0.318SS..Hα-helixtrans-74.7-42.2-178.4175.7-170.4170.1-151.80.9112F53 E54F53-R57 HydrophobicContact CE1-CB 4.38Å; F53-R57 HydrophobicContact CE1-CG 4.47Å; F53-R57 HydrophobicContact CE2-CB 4.21Å; F53-R57 HydrophobicContact CZ-CB 4.14Å; F53-R57 HydrophobicContact CZ-CG 4.15Å; F53-R57 WeakPolarHBondContact O-CB 3.34Å; F53-R57 PolarHBondContact O-N 3.38Å; E54-R57 IonicContact OE2-NH1 3.38Å; E54-R57 PolarHBondContact OE2-NH1 3.34Å
58D94.6Very high94.5Very high48 Ų4868.6 Ų68.626%0.25733%0.326SS..SBendtrans-79.4119.7-179.6-179.7-13.8000109.7E54 V60 K61 R62E54-D58 PolarHBondContact O-N 2.96Å; D58-V60 PolarHBondContact O-N 2.97Å; D58-V60 PolarHBondContact OD1-N 2.93Å; D58-K61 HydrophobicContact CB-CB 4.07Å; D58-K61 HydrophobicContact CB-CD 3.93Å; D58-K61 HydrophobicContact CB-CG 4.01Å; D58-K61 PolarHBondContact O-N 2.84Å; D58-K61 WeakPolarHBondContact OD2-CE 3.45Å; D58-K61 IonicContact OD2-NZ 2.7Å; D58-R62 VanDerWaalsContact O-CB 3.31Å; D58-R62 WeakPolarHBondContact O-CB 3.36Å; D58-R62 PolarHBondContact O-N 3.29Å
59P94.2Very high94.4Very high92 Ų9265.9 Ų65.960%0.59731%0.312SS*.Hα-helixtrans-59.7-28.5-178.325.3-35.2000113.6R63P59-R63 WeakPolarHBondContact O-CB 3.48Å; P59-R63 PolarHBondContact O-N 3.5Å
60V95.8Very high94.2Very high80 Ų8071.4 Ų71.449%0.48534%0.336SS..Hα-helixtrans-73-52.4178.2-178.50000109.8D58 R62 R63 E64D58-V60 PolarHBondContact O-N 2.97Å; D58-V60 PolarHBondContact OD1-N 2.93Å; V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 3.07Å; V60-R63 PolarHBondContact O-N 3.46Å; V60-E64 PolarHBondContact O-N 2.88Å; V60-E64 VanDerWaalsContact O-N 3.1Å
61K94.9Very high94.1Very high77 Ų7772.5 Ų72.534%0.33535%0.345SS..Hα-helixtrans-62.1-39.4178-62.9177.7-168.6165.20112.1E54 I55 D58 E64 Y65E54-K61 IonicContact OE1-NZ 3.73Å; E54-K61 PolarHBondContact OE1-NZ 3.36Å; I55-K61 HydrophobicContact CG2-CB 4.41Å; I55-K61 CarbonylContact O-C 3.54Å; I55-K61 WeakPolarHBondContact O-CB 3.38Å; D58-K61 HydrophobicContact CB-CB 4.07Å; D58-K61 HydrophobicContact CB-CD 3.93Å; D58-K61 HydrophobicContact CB-CG 4.01Å; D58-K61 PolarHBondContact O-N 2.84Å; D58-K61 WeakPolarHBondContact OD2-CE 3.45Å; D58-K61 IonicContact OD2-NZ 2.7Å; K61-E64 PolarHBondContact O-N 2.87Å; K61-Y65 WeakPolarHBondContact O-CB 3.41Å; K61-Y65 PolarHBondContact O-N 3.08Å
62R94.7Very high94Very high40 Ų4071.4 Ų71.415%0.15134%0.337CS..Hα-helixtrans-59.8-46.4175.5-178.5178.1173.5168.95.4110.8Y6 D13 C15 I20 I55 D58 V60 E64 Y65 D66Y6-R62 PolarHBondContact OH-NE 2.92Å; D13-R62 PolarHBondContact O-NH2 3.23Å; D13-R62 VanDerWaalsContact O-NH2 3.08Å; C15-R62 PolarHBondContact O-NH1 3.37Å; C15-R62 PolarHBondContact O-NH2 2.71Å; I20-R62 VanDerWaalsContact CD1-NH1 3.26Å; I55-R62 WeakPolarHBondContact O-CA 3.45Å; I55-R62 PolarHBondContact O-N 3.42Å; I55-R62 VanDerWaalsContact O-N 3.08Å; D58-R62 VanDerWaalsContact O-CB 3.31Å; D58-R62 WeakPolarHBondContact O-CB 3.36Å; D58-R62 PolarHBondContact O-N 3.29Å; V60-R62 VanDerWaalsContact C-N 3.33Å; V60-R62 PolarHBondContact O-N 3.07Å; R62-E64 PolarHBondContact O-N 3.03Å; R62-Y65 WeakPolarHBondContact O-CB 3.37Å; R62-Y65 PolarHBondContact O-N 2.86Å; R62-D66 IonicContact NE-OD2 3.98Å; R62-D66 WeakPolarHBondContact O-CB 3.32Å; R62-D66 PolarHBondContact O-N 3.16Å
63R94.3Very high93.8Very high160 Ų16075 Ų7560%0.60435%0.35SS*.Hα-helixtrans-61.1-44.3178.2-174.5-176-64150.10.1112.2P59 V60 D66 Q67P59-R63 WeakPolarHBondContact O-CB 3.48Å; P59-R63 PolarHBondContact O-N 3.5Å; V60-R63 PolarHBondContact O-N 3.46Å; R63-D66 PolarHBondContact O-N 3.08Å; R63-Q67 WeakPolarHBondContact O-CG 3.38Å; R63-Q67 PolarHBondContact O-N 3.45Å
64E94.4Very high93.7Very high99 Ų9979.1 Ų79.146%0.46337%0.369SS..Hα-helixtrans-64.1-40.9176.8-69.4-179-175.800112.3V60 K61 R62 K68V60-E64 PolarHBondContact O-N 2.88Å; V60-E64 VanDerWaalsContact O-N 3.1Å; K61-E64 PolarHBondContact O-N 2.87Å; R62-E64 PolarHBondContact O-N 3.03Å; E64-K68 WeakPolarHBondContact O-CG 3.44Å; E64-K68 PolarHBondContact O-N 2.9Å; E64-K68 VanDerWaalsContact O-N 3.1Å
65Y94.1Very high93.6Very high20 Ų2078.8 Ų78.88%0.07838%0.378CS..Hα-helixtrans-61.2-48.4174.4172.3-96.3000111.1V3 D4 L5 Y6 I55 L56 K61 R62 Q67 K68 W69V3-Y65 PolarHBondContact O-OH 2.81Å; D4-Y65 WeakPolarHBondContact CA-OH 3.46Å; L5-Y65 HydrophobicContact CB-CE1 4.03Å; L5-Y65 HydrophobicContact CB-CE2 4.27Å; L5-Y65 HydrophobicContact CD1-CD1 4.16Å; L5-Y65 HydrophobicContact CD1-CD2 3.58Å; L5-Y65 HydrophobicContact CD1-CE1 4.08Å; L5-Y65 HydrophobicContact CD1-CE2 3.48Å; L5-Y65 VanDerWaalsContact CD1-CE2 3.48Å; L5-Y65 HydrophobicContact CD1-CG 3.94Å; L5-Y65 HydrophobicContact CG-CD2 4.13Å; L5-Y65 HydrophobicContact CG-CE1 4.11Å; L5-Y65 HydrophobicContact CG-CE2 3.47Å; L5-Y65 VanDerWaalsContact CG-CE2 3.47Å; L5-Y65 VanDerWaalsContact CG-CZ 3.48Å; L5-Y65 PolarHBondContact N-OH 3.45Å; Y6-Y65 HydrophobicContact CD2-CE1 4.07Å; Y6-Y65 HydrophobicContact CE2-CD1 4.2Å; Y6-Y65 AromaticContact CE2-CE1 3.75Å; Y6-Y65 HydrophobicContact CE2-CE1 3.75Å; I55-Y65 HydrophobicContact CG2-CD2 4.45Å; I55-Y65 HydrophobicContact CG2-CG 4.19Å; L56-Y65 HydrophobicContact CD2-CD1 4.29Å; K61-Y65 WeakPolarHBondContact O-CB 3.41Å; K61-Y65 PolarHBondContact O-N 3.08Å; R62-Y65 WeakPolarHBondContact O-CB 3.37Å; R62-Y65 PolarHBondContact O-N 2.86Å; Y65-Q67 VanDerWaalsContact C-N 3.33Å; Y65-Q67 PolarHBondContact O-N 3.26Å; Y65-K68 PolarHBondContact O-N 3.26Å; Y65-W69 HydrophobicContact CE1-CB 4.32Å; Y65-W69 HydrophobicContact CE1-CG 4.45Å; Y65-W69 HydrophobicContact CE2-CE3 4.28Å; Y65-W69 WeakPolarHBondContact O-CB 3.39Å; Y65-W69 PolarHBondContact O-N 2.97Å
66D93.3Very high93.5Very high55 Ų5580.6 Ų80.629%0.29439%0.388SS..Hα-helixtrans-60.7-41.4-179.3-69.4-18.1000111.9Y6 R62 R63 W69 K70Y6-D66 VanDerWaalsContact CE2-OD1 3.29Å; Y6-D66 WeakPolarHBondContact CE2-OD1 3.46Å; Y6-D66 PolarHBondContact OH-OD1 3.43Å; Y6-D66 PolarHBondContact OH-OD2 3.02Å; R62-D66 IonicContact NE-OD2 3.98Å; R62-D66 WeakPolarHBondContact O-CB 3.32Å; R62-D66 PolarHBondContact O-N 3.16Å; R63-D66 PolarHBondContact O-N 3.08Å; D66-W69 PolarHBondContact O-N 3.48Å; D66-K70 VanDerWaalsContact O-CB 3.26Å; D66-K70 WeakPolarHBondContact O-CB 3.42Å; D66-K70 PolarHBondContact O-N 2.99Å
67Q93.4Very high93.4Very high126 Ų12687.4 Ų87.459%0.58942%0.417SS*.Hα-helixtrans-62.1-48.8175.1-73.9175.66.100111.8R63 Y65 W69 K70 A71R63-Q67 WeakPolarHBondContact O-CG 3.38Å; R63-Q67 PolarHBondContact O-N 3.45Å; Y65-Q67 VanDerWaalsContact C-N 3.33Å; Y65-Q67 PolarHBondContact O-N 3.26Å; Q67-W69 VanDerWaalsContact C-N 3.34Å; Q67-W69 PolarHBondContact O-N 2.96Å; Q67-K70 PolarHBondContact O-N 3.06Å; Q67-A71 PolarHBondContact O-N 3.33Å
68K93.3Very high93.4Very high150 Ų15090 Ų9065%0.65243%0.427SS*.Hα-helixtrans-62.4-42.1177.6-73.1173.9-179169.90111.5E64 Y65 A71 K72E64-K68 WeakPolarHBondContact O-CG 3.44Å; E64-K68 PolarHBondContact O-N 2.9Å; E64-K68 VanDerWaalsContact O-N 3.1Å; Y65-K68 PolarHBondContact O-N 3.26Å; K68-A71 PolarHBondContact O-N 3.17Å; K68-K72 WeakPolarHBondContact O-CB 3.39Å; K68-K72 PolarHBondContact O-N 3.4Å
69W91.4Very high93.2Very high33 Ų3392.9 Ų92.913%0.12544%0.44CS..Hα-helixtrans-67.5-40.5-179.9-161.2-115.5000111.9D2 D4 Y65 D66 Q67 K72 R73D2-W69 WeakPolarHBondContact O-CH2 2.99Å; D4-W69 HydrophobicContact CB-CH2 3.98Å; D4-W69 HydrophobicContact CB-CZ2 3.4Å; D4-W69 PolarHBondContact OD2-NE1 3.05Å; D4-W69 VanDerWaalsContact OD2-NE1 3.12Å; Y65-W69 HydrophobicContact CE1-CB 4.32Å; Y65-W69 HydrophobicContact CE1-CG 4.45Å; Y65-W69 HydrophobicContact CE2-CE3 4.28Å; Y65-W69 WeakPolarHBondContact O-CB 3.39Å; Y65-W69 PolarHBondContact O-N 2.97Å; D66-W69 PolarHBondContact O-N 3.48Å; Q67-W69 VanDerWaalsContact C-N 3.34Å; Q67-W69 PolarHBondContact O-N 2.96Å; W69-K72 HydrophobicContact CE3-CD 4.33Å; W69-K72 HydrophobicContact CZ3-CD 4.04Å; W69-K72 PolarHBondContact O-N 3.31Å; W69-R73 WeakPolarHBondContact O-CG 3.41Å; W69-R73 PolarHBondContact O-N 3.45Å
70K91.8Very high93.1Very high117 Ų11794 Ų9451%0.50944%0.438SS..Hα-helixtrans-60.6-49.5173.9-172.4-179.3176.4-175.70111.5D66 Q67 K72 R73 E74D66-K70 VanDerWaalsContact O-CB 3.26Å; D66-K70 WeakPolarHBondContact O-CB 3.42Å; D66-K70 PolarHBondContact O-N 2.99Å; Q67-K70 PolarHBondContact O-N 3.06Å; K70-K72 VanDerWaalsContact C-N 3.32Å; K70-K72 PolarHBondContact O-N 3.05Å; K70-R73 PolarHBondContact O-N 3.16Å; K70-E74 WeakPolarHBondContact CE-OE1 3.46Å; K70-E74 WeakPolarHBondContact O-CG 3.47Å; K70-E74 PolarHBondContact O-N 3.25Å
71A93.4Very high92.9Very high56 Ų5693 Ų9346%0.46343%0.434SS..Hα-helixtrans-59.9-41.2177.300000112.1Q67 K68 E74 A75Q67-A71 PolarHBondContact O-N 3.33Å; K68-A71 PolarHBondContact O-N 3.17Å; A71-E74 PolarHBondContact O-N 2.63Å; A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.21Å
72K92Very high92.3Very high68 Ų6894.8 Ų94.830%0.29645%0.445SS..Hα-helixtrans-62.1-46.1175.6-172.6176.4179.9-179.40111.9D2 K68 W69 K70 E74 A75 I76D2-K72 IonicContact OD1-NZ 3.06Å; D2-K72 PolarHBondContact OD1-NZ 3.35Å; K68-K72 WeakPolarHBondContact O-CB 3.39Å; K68-K72 PolarHBondContact O-N 3.4Å; W69-K72 HydrophobicContact CE3-CD 4.33Å; W69-K72 HydrophobicContact CZ3-CD 4.04Å; W69-K72 PolarHBondContact O-N 3.31Å; K70-K72 VanDerWaalsContact C-N 3.32Å; K70-K72 PolarHBondContact O-N 3.05Å; K72-E74 VanDerWaalsContact C-N 3.32Å; K72-E74 PolarHBondContact O-N 3.47Å; K72-A75 PolarHBondContact O-N 3.47Å; K72-I76 HydrophobicContact CG-CD1 4.12Å; K72-I76 WeakPolarHBondContact O-CG1 3.36Å; K72-I76 PolarHBondContact O-N 3.19Å
73R91.1Very high92.1Very high109 Ų10997.1 Ų97.141%0.41146%0.461SS..Hα-helixtrans-60.9-40.6176.7-73.8-171.5-64178.9-2.3112D13 W69 K70 I76 K77D13-R73 IonicContact OD2-NH1 3.94Å; W69-R73 WeakPolarHBondContact O-CG 3.41Å; W69-R73 PolarHBondContact O-N 3.45Å; K70-R73 PolarHBondContact O-N 3.16Å; R73-I76 PolarHBondContact O-N 2.68Å; R73-K77 WeakPolarHBondContact O-CG 3.39Å; R73-K77 PolarHBondContact O-N 2.84Å; R73-K77 VanDerWaalsContact O-N 3.08Å
74E93.3Very high92Very high108 Ų10892.3 Ų92.351%0.50545%0.451SS..Hα-helixtrans-67-40.2177.1-72.3169.9-176.700111.9K70 A71 K72 K77 R78K70-E74 WeakPolarHBondContact CE-OE1 3.46Å; K70-E74 WeakPolarHBondContact O-CG 3.47Å; K70-E74 PolarHBondContact O-N 3.25Å; A71-E74 PolarHBondContact O-N 2.63Å; K72-E74 VanDerWaalsContact C-N 3.32Å; K72-E74 PolarHBondContact O-N 3.47Å; E74-K77 PolarHBondContact O-N 3Å; E74-R78 WeakPolarHBondContact O-CB 3.44Å; E74-R78 PolarHBondContact O-N 3.41Å
75A93.8Very high91.9Very high61 Ų6191.1 Ų91.150%0.50445%0.454SS..Hα-helixtrans-63.4-43.217500000112.4A71 K72 R78 M79A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.21Å; K72-A75 PolarHBondContact O-N 3.47Å; A75-R78 PolarHBondContact O-N 3.01Å; A75-M79 PolarHBondContact O-N 3.48Å
76I91.8Very high91.8Very high68 Ų6899.2 Ų99.235%0.34948%0.484SS..Hα-helixtrans-59.7-50.8175.6-68.9165.2000110.1K72 R73 R78 M79 E80K72-I76 HydrophobicContact CG-CD1 4.12Å; K72-I76 WeakPolarHBondContact O-CG1 3.36Å; K72-I76 PolarHBondContact O-N 3.19Å; R73-I76 PolarHBondContact O-N 2.68Å; I76-R78 VanDerWaalsContact C-N 3.28Å; I76-R78 PolarHBondContact O-N 2.93Å; I76-M79 PolarHBondContact O-N 3.5Å; I76-M79 VanDerWaalsContact O-N 3.14Å; I76-E80 HydrophobicContact CG2-CG 4.32Å; I76-E80 WeakPolarHBondContact O-CG 3.35Å; I76-E80 PolarHBondContact O-N 3.36Å
77K93Very high91.8Very high144 Ų144102.9 Ų102.963%0.62650%0.498SS*.Hα-helixtrans-57.8-40.2177.3-74179.4179.1-175.20112.7R73 E74 S81R73-K77 WeakPolarHBondContact O-CG 3.39Å; R73-K77 PolarHBondContact O-N 2.84Å; R73-K77 VanDerWaalsContact O-N 3.08Å; E74-K77 PolarHBondContact O-N 3Å; K77-S81 WeakPolarHBondContact O-CB 3.42Å; K77-S81 PolarHBondContact O-N 2.9Å
78R93.2Very high91.9Very high178 Ų178103.9 Ų103.967%0.67250%0.5SS*.Hα-helixtrans-64.1-45.8177.3-173.9173.9178.393.1-1.4110.9E74 A75 I76 S81 M82E74-R78 WeakPolarHBondContact O-CB 3.44Å; E74-R78 PolarHBondContact O-N 3.41Å; A75-R78 PolarHBondContact O-N 3.01Å; I76-R78 VanDerWaalsContact C-N 3.28Å; I76-R78 PolarHBondContact O-N 2.93Å; R78-S81 PolarHBondContact O-N 2.94Å; R78-S81 PolarHBondContact O-OG 3.3Å; R78-M82 HydrophobicContact CG-SD 4.34Å; R78-M82 WeakPolarHBondContact O-CG 3.45Å; R78-M82 PolarHBondContact O-N 3.36Å
79M90Very high92Very high110 Ų110102.3 Ų102.354%0.54250%0.498SS..Hα-helixtrans-61.8-47.5177.4-172.6164.165.200111.4A75 I76 S81 M82 D83A75-M79 PolarHBondContact O-N 3.48Å; I76-M79 PolarHBondContact O-N 3.5Å; I76-M79 VanDerWaalsContact O-N 3.14Å; M79-S81 VanDerWaalsContact C-N 3.29Å; M79-S81 PolarHBondContact O-N 3.46Å; M79-M82 WeakPolarHBondContact O-CB 3.49Å; M79-M82 PolarHBondContact O-N 3.01Å; M79-M82 VanDerWaalsContact O-N 3.1Å; M79-D83 PolarHBondContact O-N 3.45Å
80E92.2Very high92.1Very high116 Ų116106.9 Ų106.954%0.54252%0.519SS..Hα-helixtrans-57.6-41.5175.6-71.2171.7165.100112.1I76 D83 S84I76-E80 HydrophobicContact CG2-CG 4.32Å; I76-E80 WeakPolarHBondContact O-CG 3.35Å; I76-E80 PolarHBondContact O-N 3.36Å; E80-D83 PolarHBondContact O-N 2.89Å; E80-S84 WeakPolarHBondContact O-CB 3.3Å; E80-S84 PolarHBondContact O-N 3Å
81S91.2Very high92.2Very high58 Ų58106 Ų10641%0.40652%0.517SS..Hα-helixtrans-64.5-42.6176.375.70000111.9K77 R78 M79 S84 S85K77-S81 WeakPolarHBondContact O-CB 3.42Å; K77-S81 PolarHBondContact O-N 2.9Å; R78-S81 PolarHBondContact O-N 2.94Å; R78-S81 PolarHBondContact O-OG 3.3Å; M79-S81 VanDerWaalsContact C-N 3.29Å; M79-S81 PolarHBondContact O-N 3.46Å; S81-S84 PolarHBondContact O-N 3.22Å; S81-S84 PolarHBondContact O-OG 3.13Å; S81-S85 PolarHBondContact O-N 3.13Å; S81-S85 PolarHBondContact O-OG 2.98Å
82M82.4Confident92.4Very high115 Ų115109.4 Ų109.457%0.56752%0.523SS*.Hα-helixtrans-64.4-41.9176.6-70.6176.365.500111.3R78 M79 S84 S85 R86R78-M82 HydrophobicContact CG-SD 4.34Å; R78-M82 WeakPolarHBondContact O-CG 3.45Å; R78-M82 PolarHBondContact O-N 3.36Å; M79-M82 WeakPolarHBondContact O-CB 3.49Å; M79-M82 PolarHBondContact O-N 3.01Å; M79-M82 VanDerWaalsContact O-N 3.1Å; M82-S84 VanDerWaalsContact C-N 3.33Å; M82-S84 PolarHBondContact O-N 3.37Å; M82-S85 PolarHBondContact O-N 3.41Å; M82-R86 VanDerWaalsContact O-CB 3.31Å; M82-R86 WeakPolarHBondContact O-CB 3.39Å; M82-R86 PolarHBondContact O-N 3.44Å
83D91.7Very high92.6Very high89 Ų89110.7 Ų110.748%0.47653%0.533SS..Hα-helixtrans-63.7-40.5177-73.5-25.2000111.2M79 E80 R86 K87M79-D83 PolarHBondContact O-N 3.45Å; E80-D83 PolarHBondContact O-N 2.89Å; D83-R86 PolarHBondContact O-N 3.01Å; D83-K87 VanDerWaalsContact O-CB 3.32Å; D83-K87 WeakPolarHBondContact O-CB 3.46Å; D83-K87 PolarHBondContact O-N 3.4Å
84S90.9Very high92.8Very high58 Ų58110.2 Ų110.241%0.40654%0.535SS..Hα-helixtrans-64.5-41.3174.980.30000112.4E80 S81 M82 K87 K88E80-S84 WeakPolarHBondContact O-CB 3.3Å; E80-S84 PolarHBondContact O-N 3Å; S81-S84 PolarHBondContact O-N 3.22Å; S81-S84 PolarHBondContact O-OG 3.13Å; M82-S84 VanDerWaalsContact C-N 3.33Å; M82-S84 PolarHBondContact O-N 3.37Å; S84-K87 PolarHBondContact O-N 2.88Å; S84-K88 WeakPolarHBondContact O-CG 3.47Å; S84-K88 PolarHBondContact O-N 2.95Å
85S92Very high92.9Very high75 Ų75108 Ų10852%0.52454%0.535SS..Hα-helixtrans-65.7-42.4175.1-67.90000111.7S81 M82 K87 K88 L89S81-S85 PolarHBondContact O-N 3.13Å; S81-S85 PolarHBondContact O-OG 2.98Å; M82-S85 PolarHBondContact O-N 3.41Å; S85-K87 VanDerWaalsContact C-N 3.35Å; S85-K88 PolarHBondContact O-N 2.93Å; S85-L89 WeakPolarHBondContact O-CB 3.33Å; S85-L89 PolarHBondContact O-N 3.24Å
86R92.6Very high93Very high189 Ų189114 Ų11471%0.71355%0.545SS*.Hα-helixtrans-63.5-41.9177.2-171.3-178.9-176.7-172.71.5111.2M82 D83 L89 K90M82-R86 VanDerWaalsContact O-CB 3.31Å; M82-R86 WeakPolarHBondContact O-CB 3.39Å; M82-R86 PolarHBondContact O-N 3.44Å; D83-R86 PolarHBondContact O-N 3.01Å; R86-L89 PolarHBondContact O-N 3.31Å; R86-K90 WeakPolarHBondContact O-CB 3.44Å; R86-K90 PolarHBondContact O-N 2.91Å
87K92.8Very high93.2Very high133 Ų133115.5 Ų115.558%0.57855%0.551SS**Hα-helixtrans-62.1-48.6175.6-173.7178.8176.3-177.10111.3D83 S84 S85 L89 K90 E91D83-K87 VanDerWaalsContact O-CB 3.32Å; D83-K87 WeakPolarHBondContact O-CB 3.46Å; D83-K87 PolarHBondContact O-N 3.4Å; S84-K87 PolarHBondContact O-N 2.88Å; S85-K87 VanDerWaalsContact C-N 3.35Å; K87-L89 PolarHBondContact O-N 3.26Å; K87-K90 PolarHBondContact O-N 3.48Å; K87-E91 WeakPolarHBondContact CE-OE1 3.31Å; K87-E91 WeakPolarHBondContact O-CG 3.44Å; K87-E91 PolarHBondContact O-N 2.94Å
88K96Very high93.3Very high147 Ų147111.2 Ų111.264%0.63954%0.542SS*.Hα-helixtrans-58.6-46175.9-75.1-179.8178.4-176.50112.4S84 S85 K90 E91 E92S84-K88 WeakPolarHBondContact O-CG 3.47Å; S84-K88 PolarHBondContact O-N 2.95Å; S85-K88 PolarHBondContact O-N 2.93Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.19Å; K88-E91 PolarHBondContact O-N 2.99Å; K88-E92 WeakPolarHBondContact O-CB 3.48Å; K88-E92 PolarHBondContact O-N 3.38Å
89L94.9Very high93.5Very high116 Ų116105.2 Ų105.261%0.60753%0.53SS*.Hα-helixtrans-62.1-40.9178.7-176.766.2000111.7S85 R86 K87 L93S85-L89 WeakPolarHBondContact O-CB 3.33Å; S85-L89 PolarHBondContact O-N 3.24Å; R86-L89 PolarHBondContact O-N 3.31Å; K87-L89 PolarHBondContact O-N 3.26Å; L89-L93 WeakPolarHBondContact O-CB 2.92Å; L89-L93 PolarHBondContact O-N 3.43Å
90K93.9Very high93.9Very high129 Ų129102.6 Ų102.656%0.56153%0.526SS*.Hα-helixtrans-63-48.7175.5-179.2-179170.7-177.50111.4R86 K87 K88 E92 L93 E94R86-K90 WeakPolarHBondContact O-CB 3.44Å; R86-K90 PolarHBondContact O-N 2.91Å; K87-K90 PolarHBondContact O-N 3.48Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.19Å; K90-E92 VanDerWaalsContact C-N 3.33Å; K90-E92 PolarHBondContact O-N 3.4Å; K90-L93 PolarHBondContact O-N 3.01Å; K90-E94 WeakPolarHBondContact CE-OE1 3.32Å; K90-E94 IonicContact NZ-OE1 3.87Å; K90-E94 WeakPolarHBondContact O-CG 2.97Å; K90-E94 PolarHBondContact O-N 3.41Å
91E94.8Very high94Very high99 Ų99103 Ų10346%0.46353%0.529SS..Hα-helixtrans-61.6-40.5178.5-73.4171.5-179.700111.8K87 K88 A95K87-E91 WeakPolarHBondContact CE-OE1 3.31Å; K87-E91 WeakPolarHBondContact O-CG 3.44Å; K87-E91 PolarHBondContact O-N 2.94Å; K88-E91 PolarHBondContact O-N 2.99Å; E91-A95 VanDerWaalsContact O-CB 3.27Å; E91-A95 WeakPolarHBondContact O-CB 3.35Å; E91-A95 PolarHBondContact O-N 2.88Å
92E96.8Very high94.3Very high128 Ų128102.4 Ų102.460%0.59853%0.528SS*.Hα-helixtrans-65.5-41.7176.6-173.5177.9175.200112.2K88 K90 R96K88-E92 WeakPolarHBondContact O-CB 3.48Å; K88-E92 PolarHBondContact O-N 3.38Å; K90-E92 VanDerWaalsContact C-N 3.33Å; K90-E92 PolarHBondContact O-N 3.4Å; E92-R96 WeakPolarHBondContact O-CB 3.38Å; E92-R96 PolarHBondContact O-N 3.26Å
93L95.4Very high94.9Very high95 Ų95102.7 Ų102.750%0.49753%0.53SS..Hα-helixtrans-62.2-50.5175.618064.6000111.2L89 K90 A95 R96 E97L89-L93 WeakPolarHBondContact O-CB 2.92Å; L89-L93 PolarHBondContact O-N 3.43Å; K90-L93 PolarHBondContact O-N 3.01Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.2Å; L93-R96 WeakPolarHBondContact O-CB 3.46Å; L93-R96 PolarHBondContact O-N 3.01Å; L93-R96 VanDerWaalsContact O-N 3.16Å; L93-E97 HydrophobicContact CD1-CG 4.44Å; L93-E97 WeakPolarHBondContact O-CG 3.43Å; L93-E97 PolarHBondContact O-N 3.49Å
94E95.5Very high95.1Very high99 Ų99107.7 Ų107.746%0.46354%0.542SS..Hα-helixtrans-60.7-41.7179.2-73175.6176.200111.5K90 R96 E97 A98K90-E94 WeakPolarHBondContact CE-OE1 3.32Å; K90-E94 IonicContact NZ-OE1 3.87Å; K90-E94 WeakPolarHBondContact O-CG 2.97Å; K90-E94 PolarHBondContact O-N 3.41Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 3.46Å; E94-E97 PolarHBondContact O-N 2.92Å; E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.4Å; E94-A98 PolarHBondContact O-N 3.44Å
95A96.5Very high95.3Very high62 Ų62111.1 Ų111.151%0.51255%0.55SS..Hα-helixtrans-63.3-40.2175.800000112.2E91 L93 A99E91-A95 VanDerWaalsContact O-CB 3.27Å; E91-A95 WeakPolarHBondContact O-CB 3.35Å; E91-A95 PolarHBondContact O-N 2.88Å; L93-A95 VanDerWaalsContact C-N 3.33Å; L93-A95 PolarHBondContact O-N 3.2Å; A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.08Å
96R96.2Very high95.5Very high186 Ų186116.3 Ų116.370%0.70256%0.557SS**Hα-helixtrans-66-43.4177.2-168.8175.5-158.2115.13.6111.8E92 L93 E94 A99 A100E92-R96 WeakPolarHBondContact O-CB 3.38Å; E92-R96 PolarHBondContact O-N 3.26Å; L93-R96 WeakPolarHBondContact O-CB 3.46Å; L93-R96 PolarHBondContact O-N 3.01Å; L93-R96 VanDerWaalsContact O-N 3.16Å; E94-R96 VanDerWaalsContact C-N 3.35Å; E94-R96 PolarHBondContact O-N 3.46Å; R96-A99 PolarHBondContact O-N 2.91Å; R96-A100 PolarHBondContact O-N 3.48Å
97E94.6Very high95.6Very high100 Ų100113.6 Ų113.647%0.46755%0.553SS.*Hα-helixtrans-65.5-43.2176.7-71.5179.7177.200111.6L93 E94 A99 A100 M101L93-E97 HydrophobicContact CD1-CG 4.44Å; L93-E97 WeakPolarHBondContact O-CG 3.43Å; L93-E97 PolarHBondContact O-N 3.49Å; E94-E97 PolarHBondContact O-N 2.92Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 2.84Å; E97-A100 PolarHBondContact O-N 3.31Å; E97-M101 HydrophobicContact CB-CE 4.15Å; E97-M101 WeakPolarHBondContact O-CG 3.34Å; E97-M101 PolarHBondContact O-N 2.92Å
98A96.5Very high95.7Very high53 Ų53114.6 Ų114.644%0.43856%0.557SS.*Hα-helixtrans-61.2-42.117500000112E94 M101 A102E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.4Å; E94-A98 PolarHBondContact O-N 3.44Å; A98-M101 PolarHBondContact O-N 3.38Å; A98-A102 WeakPolarHBondContact O-CB 3.37Å; A98-A102 PolarHBondContact O-N 2.97Å
99A97.1Very high95.5Very high53 Ų53111.5 Ų111.544%0.43855%0.545SS..Hα-helixtrans-63.4-42175.200000112.1A95 R96 E97 A102 M103A95-A99 WeakPolarHBondContact O-CB 3.47Å; A95-A99 PolarHBondContact O-N 3.08Å; R96-A99 PolarHBondContact O-N 2.91Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 2.84Å; A99-A102 PolarHBondContact O-N 3.36Å; A99-M103 WeakPolarHBondContact O-CG 3.2Å; A99-M103 PolarHBondContact O-N 3.27Å
100A97Very high95.5Very high55 Ų55108.7 Ų108.746%0.45554%0.539SS..Hα-helixtrans-63.6-43.5175.600000112R96 E97 M103 R104R96-A100 PolarHBondContact O-N 3.48Å; E97-A100 PolarHBondContact O-N 3.31Å; A100-M103 PolarHBondContact O-N 3.43Å; A100-R104 PolarHBondContact O-N 3.3Å
101M95.4Very high95.7Very high123 Ų123106 Ų10661%0.60653%0.533SS*.Hα-helixtrans-62.8-42.5175.2-75.2-171.3-101.600112.1E97 A98 R104 K105E97-M101 HydrophobicContact CB-CE 4.15Å; E97-M101 WeakPolarHBondContact O-CG 3.34Å; E97-M101 PolarHBondContact O-N 2.92Å; A98-M101 PolarHBondContact O-N 3.38Å; M101-R104 PolarHBondContact O-N 3.44Å; M101-K105 WeakPolarHBondContact O-CB 3.29Å; M101-K105 PolarHBondContact O-N 3.33Å
102A97.3Very high95.7Very high46 Ų46103.2 Ų103.238%0.3853%0.527SS..Hα-helixtrans-63.8-40.5176.700000112.2A98 A99 K105 R106A98-A102 WeakPolarHBondContact O-CB 3.37Å; A98-A102 PolarHBondContact O-N 2.97Å; A99-A102 PolarHBondContact O-N 3.36Å; A102-K105 PolarHBondContact O-N 3.32Å; A102-R106 WeakPolarHBondContact O-CG 3.29Å; A102-R106 PolarHBondContact O-N 3.43Å
103M95.8Very high95.5Very high121 Ų121104.4 Ų104.460%0.59653%0.53SS*.Hα-helixtrans-62.9-45.1173.7-75.7-152.8-76.400111.9A99 A100 K105 R106 Q107A99-M103 WeakPolarHBondContact O-CG 3.2Å; A99-M103 PolarHBondContact O-N 3.27Å; A100-M103 PolarHBondContact O-N 3.43Å; M103-K105 VanDerWaalsContact C-N 3.33Å; M103-K105 PolarHBondContact O-N 2.93Å; M103-R106 PolarHBondContact O-N 3.32Å; M103-Q107 WeakPolarHBondContact O-CG 3.45Å; M103-Q107 PolarHBondContact O-N 2.91Å
104R95.4Very high95.4Very high194 Ų194105.7 Ų105.773%0.73253%0.534SS*.Hα-helixtrans-60.8-41.8176.5-174.6178.7177.7-178.2-0.4112A100 M101 Q107 F108A100-R104 PolarHBondContact O-N 3.3Å; M101-R104 PolarHBondContact O-N 3.44Å; R104-Q107 PolarHBondContact O-N 3.47Å; R104-F108 PolarHBondContact O-N 3.29Å
105K95.7Very high95.4Very high131 Ų131106.8 Ų106.857%0.5754%0.539SS*.Hα-helixtrans-61.1-47.6175.5-178.8174.7172.4176.90111.4M101 A102 M103 Q107 F108 E109M101-K105 WeakPolarHBondContact O-CB 3.29Å; M101-K105 PolarHBondContact O-N 3.33Å; A102-K105 PolarHBondContact O-N 3.32Å; M103-K105 VanDerWaalsContact C-N 3.33Å; M103-K105 PolarHBondContact O-N 2.93Å; K105-Q107 VanDerWaalsContact C-N 3.33Å; K105-Q107 PolarHBondContact O-N 3.41Å; K105-F108 PolarHBondContact O-N 2.89Å; K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; K105-E109 WeakPolarHBondContact CG-OE1 3.32Å; K105-E109 IonicContact NZ-OE1 3.77Å; K105-E109 WeakPolarHBondContact O-CG 3.31Å; K105-E109 PolarHBondContact O-N 2.99Å
106R95.8Very high95.3Very high183 Ų183105.2 Ų105.269%0.69153%0.526SS*.Hα-helixtrans-59.8-41.7176-74.3177.7179.4177.20.8112.5A102 M103 E109 A110A102-R106 WeakPolarHBondContact O-CG 3.29Å; A102-R106 PolarHBondContact O-N 3.43Å; M103-R106 PolarHBondContact O-N 3.32Å; R106-E109 PolarHBondContact O-N 3.37Å; R106-A110 VanDerWaalsContact O-CB 3.31Å; R106-A110 WeakPolarHBondContact O-CB 3.16Å; R106-A110 PolarHBondContact O-N 3.24Å
107Q94.2Very high95.1Very high133 Ų13398.7 Ų98.762%0.62151%0.512SS*.Hα-helixtrans-62.5-45.8176.1-75.1176.5-1700111.5M103 R104 K105 A110 V111M103-Q107 WeakPolarHBondContact O-CG 3.45Å; M103-Q107 PolarHBondContact O-N 2.91Å; R104-Q107 PolarHBondContact O-N 3.47Å; K105-Q107 VanDerWaalsContact C-N 3.33Å; K105-Q107 PolarHBondContact O-N 3.41Å; Q107-A110 PolarHBondContact O-N 3.42Å; Q107-V111 WeakPolarHBondContact O-CG2 3.48Å; Q107-V111 PolarHBondContact O-N 3.41Å
108F94.3Very high95.1Very high153 Ų15396.6 Ų96.667%0.67150%0.504SS*.Hα-helixtrans-61.7-46.4177-178-97.3000112R104 K105 A110 V111 A112R104-F108 PolarHBondContact O-N 3.29Å; K105-F108 PolarHBondContact O-N 2.89Å; F108-A110 VanDerWaalsContact C-N 3.32Å; F108-A110 PolarHBondContact O-N 3.38Å; F108-V111 PolarHBondContact O-N 2.88Å; F108-A112 WeakPolarHBondContact O-CB 3.3Å; F108-A112 PolarHBondContact O-N 3.31Å
109E93.5Very high95Very high82 Ų8297.8 Ų97.838%0.38350%0.5SS..Hα-helixtrans-62.1-38.2176.5-73.1173.7-175.700112.3K105 R106 A112 K113K105-E109 WeakPolarHBondContact CE-OE1 3.49Å; K105-E109 WeakPolarHBondContact CG-OE1 3.32Å; K105-E109 IonicContact NZ-OE1 3.77Å; K105-E109 WeakPolarHBondContact O-CG 3.31Å; K105-E109 PolarHBondContact O-N 2.99Å; R106-E109 PolarHBondContact O-N 3.37Å; E109-A112 PolarHBondContact O-N 2.97Å; E109-K113 WeakPolarHBondContact O-CB 3.43Å; E109-K113 VanDerWaalsContact O-CG 3.3Å; E109-K113 WeakPolarHBondContact O-CG 3.4Å; E109-K113 PolarHBondContact O-N 3.39Å
110A94.8Very high94.7Very high57 Ų5797.7 Ų97.747%0.47149%0.492SS..Hα-helixtrans-64.8-44.5176.300000111.7R106 Q107 F108 K113 Q114R106-A110 VanDerWaalsContact O-CB 3.31Å; R106-A110 WeakPolarHBondContact O-CB 3.16Å; R106-A110 PolarHBondContact O-N 3.24Å; Q107-A110 PolarHBondContact O-N 3.42Å; F108-A110 VanDerWaalsContact C-N 3.32Å; F108-A110 PolarHBondContact O-N 3.38Å; A110-K113 PolarHBondContact O-N 2.89Å; A110-Q114 WeakPolarHBondContact O-CB 2.86Å; A110-Q114 PolarHBondContact O-N 3Å
111V96.5Very high94.4Very high72 Ų72102.6 Ų102.644%0.43650%0.499SS..Hα-helixtrans-62.8-43.8175.3172.70000110.8Q107 F108 K113 Q114 Q115Q107-V111 WeakPolarHBondContact O-CG2 3.48Å; Q107-V111 PolarHBondContact O-N 3.41Å; F108-V111 PolarHBondContact O-N 2.88Å; V111-K113 PolarHBondContact O-N 2.91Å; V111-Q114 PolarHBondContact O-N 2.87Å; V111-Q115 HydrophobicContact CG1-CG 4.35Å; V111-Q115 WeakPolarHBondContact O-CB 3.39Å; V111-Q115 VanDerWaalsContact O-CG 3.31Å; V111-Q115 WeakPolarHBondContact O-CG 3.39Å; V111-Q115 PolarHBondContact O-N 3.46Å
112A95.3Very high94.3Very high42 Ų42102.1 Ų102.135%0.34749%0.49SS..Hα-helixtrans-62.1-43177.500000112.2F108 E109 Q115 A116F108-A112 WeakPolarHBondContact O-CB 3.3Å; F108-A112 PolarHBondContact O-N 3.31Å; E109-A112 PolarHBondContact O-N 2.97Å; A112-Q115 PolarHBondContact O-N 3.25Å; A112-A116 WeakPolarHBondContact O-CB 3.47Å; A112-A116 PolarHBondContact O-N 2.99Å
113K93.2Very high94Very high152 Ų152103.1 Ų103.166%0.66149%0.489SS*.Hα-helixtrans-62.3-42.1174.6-76.1176.1-179.6179.20112E109 A110 V111 A116 A117E109-K113 WeakPolarHBondContact O-CB 3.43Å; E109-K113 VanDerWaalsContact O-CG 3.3Å; E109-K113 WeakPolarHBondContact O-CG 3.4Å; E109-K113 PolarHBondContact O-N 3.39Å; A110-K113 PolarHBondContact O-N 2.89Å; V111-K113 PolarHBondContact O-N 2.91Å; K113-A116 PolarHBondContact O-N 3.4Å; K113-A117 PolarHBondContact O-N 2.99Å
114Q93.8Very high93.5Very high122 Ų122103.9 Ų103.957%0.5749%0.486SS*.Hα-helixtrans-63.8-46.4176.9-174.3175.8-000111.3A110 V111 A116 A117 D118A110-Q114 WeakPolarHBondContact O-CB 2.86Å; A110-Q114 PolarHBondContact O-N 3Å; V111-Q114 PolarHBondContact O-N 2.87Å; Q114-A116 VanDerWaalsContact C-N 3.31Å; Q114-A116 PolarHBondContact O-N 3.16Å; Q114-A117 PolarHBondContact O-N 3.48Å; Q114-D118 PolarHBondContact O-N 3.42Å
115Q95Very high93.2Very high122 Ų12298.7 Ų98.757%0.5747%0.47SS*.Hα-helixtrans-60.2-40.2176.7-73.2175.8-9.200112.3V111 A112 D118 Q119V111-Q115 HydrophobicContact CG1-CG 4.35Å; V111-Q115 WeakPolarHBondContact O-CB 3.39Å; V111-Q115 VanDerWaalsContact O-CG 3.31Å; V111-Q115 WeakPolarHBondContact O-CG 3.39Å; V111-Q115 PolarHBondContact O-N 3.46Å; A112-Q115 PolarHBondContact O-N 3.25Å; Q115-D118 PolarHBondContact O-N 2.93Å; Q115-Q119 WeakPolarHBondContact O-CB 3.43Å; Q115-Q119 PolarHBondContact O-N 2.95Å
116A93.6Very high93Very high30 Ų3099.7 Ų99.725%0.24847%0.47CS..Hα-helixtrans-64.2-43.9175.200000111.9A112 K113 Q114 Q119 I120A112-A116 WeakPolarHBondContact O-CB 3.47Å; A112-A116 PolarHBondContact O-N 2.99Å; K113-A116 PolarHBondContact O-N 3.4Å; Q114-A116 VanDerWaalsContact C-N 3.31Å; Q114-A116 PolarHBondContact O-N 3.16Å; A116-Q119 PolarHBondContact O-N 3.25Å; A116-I120 WeakPolarHBondContact O-CG1 3.42Å; A116-I120 PolarHBondContact O-N 2.94Å
117A93.1Very high92.4Very high49 Ų4995.9 Ų95.941%0.40546%0.46SS..Hα-helixtrans-63.2-41.4176.100000112.2K113 Q114 Q119 I120 R121K113-A117 PolarHBondContact O-N 2.99Å; Q114-A117 PolarHBondContact O-N 3.48Å; A117-Q119 VanDerWaalsContact C-N 3.33Å; A117-Q119 PolarHBondContact O-N 2.96Å; A117-I120 PolarHBondContact O-N 2.97Å; A117-R121 PolarHBondContact O-N 3.46Å
118D94.4Very high92.2Very high55 Ų5591.4 Ų91.429%0.29444%0.441SS..Hα-helixtrans-66.4-35.8176.6-69.9-20.8000111.8Q114 Q115 R121 R122Q114-D118 PolarHBondContact O-N 3.42Å; Q115-D118 PolarHBondContact O-N 2.93Å; D118-R121 PolarHBondContact O-N 3.42Å; D118-R122 WeakPolarHBondContact O-CB 3.48Å; D118-R122 WeakPolarHBondContact O-CG 3.39Å; D118-R122 PolarHBondContact O-N 3.45Å; D118-R122 PolarHBondContact O-NE 3.32Å
119Q93.1Very high91.7Very high78 Ų7890.1 Ų90.136%0.36444%0.438SS..Hα-helixtrans-64.5-46.9174.1-172.76448.800111.2Q115 A116 A117 R121 R122 D123Q115-Q119 WeakPolarHBondContact O-CB 3.43Å; Q115-Q119 PolarHBondContact O-N 2.95Å; A116-Q119 PolarHBondContact O-N 3.25Å; A117-Q119 VanDerWaalsContact C-N 3.33Å; A117-Q119 PolarHBondContact O-N 2.96Å; Q119-R121 VanDerWaalsContact C-N 3.28Å; Q119-R121 PolarHBondContact O-N 3.44Å; Q119-R122 PolarHBondContact O-N 2.86Å; Q119-D123 PolarHBondContact NE2-OD1 3.02Å; Q119-D123 WeakPolarHBondContact O-CB 3.37Å; Q119-D123 PolarHBondContact O-N 2.82Å
120I92Very high91.2Very high52 Ų5290.8 Ų90.827%0.26744%0.441SS..Hα-helixtrans-59-42.3177.3-68.4166.7000110.5A116 A117 D123 W124 I280 M284A116-I120 WeakPolarHBondContact O-CG1 3.42Å; A116-I120 PolarHBondContact O-N 2.94Å; A117-I120 PolarHBondContact O-N 2.97Å; I120-D123 PolarHBondContact O-N 2.91Å; I120-W124 PolarHBondContact O-N 3.3Å; I120-I280 HydrophobicContact CG2-CD1 3.92Å; I120-M284 HydrophobicContact CD1-CE 3.77Å
121R91Very high90.5Very high157 Ų15793.3 Ų93.359%0.59244%0.444SS*.Hα-helixtrans-62.1-47.7177-168.9-176.3-54-162.53.4112.1A117 D118 Q119 D123 W124 E125A117-R121 PolarHBondContact O-N 3.46Å; D118-R121 PolarHBondContact O-N 3.42Å; Q119-R121 VanDerWaalsContact C-N 3.28Å; Q119-R121 PolarHBondContact O-N 3.44Å; R121-D123 VanDerWaalsContact C-N 3.3Å; R121-D123 PolarHBondContact O-N 2.89Å; R121-W124 WeakPolarHBondContact O-CB 3.37Å; R121-W124 PolarHBondContact O-N 3.46Å; R121-E125 WeakPolarHBondContact O-CG 3.28Å; R121-E125 PolarHBondContact O-N 2.92Å
122R91.8Very high89.8Confident113 Ų11396.9 Ų96.943%0.42645%0.454SS..Hα-helixtrans-62.2-37177.2-77.8-176.5-98.5112.4-2.4112.3D118 Q119 R126D118-R122 WeakPolarHBondContact O-CB 3.48Å; D118-R122 WeakPolarHBondContact O-CG 3.39Å; D118-R122 PolarHBondContact O-N 3.45Å; D118-R122 PolarHBondContact O-NE 3.32Å; Q119-R122 PolarHBondContact O-N 2.86Å; R122-R126 WeakPolarHBondContact O-CG 3.4Å; R122-R126 PolarHBondContact O-N 3.46Å; R122-R126 VanDerWaalsContact O-N 3.16Å
123D91.4Very high89Confident67 Ų67102.8 Ų102.836%0.35847%0.467SS..Hα-helixtrans-67.8-39.3176.7-67.6-2.8000111.2Q119 I120 R121 R126 H127Q119-D123 PolarHBondContact NE2-OD1 3.02Å; Q119-D123 WeakPolarHBondContact O-CB 3.37Å; Q119-D123 PolarHBondContact O-N 2.82Å; I120-D123 PolarHBondContact O-N 2.91Å; R121-D123 VanDerWaalsContact C-N 3.3Å; R121-D123 PolarHBondContact O-N 2.89Å; D123-R126 IonicContact OD1-CZ 3.64Å; D123-R126 IonicContact OD1-NE 3.91Å; D123-R126 IonicContact OD1-NH2 2.63Å; D123-R126 PolarHBondContact OD1-NH2 3.1Å; D123-H127 WeakPolarHBondContact O-CB 3.43Å; D123-H127 PolarHBondContact O-N 2.99Å
124W86.3Confident88.5Confident137 Ų13799.8 Ų99.852%0.51946%0.456SS..Hα-helixtrans-63.3-46.5175177.482.5000112.3I120 R121 R126 H127 T128I120-W124 PolarHBondContact O-N 3.3Å; R121-W124 WeakPolarHBondContact O-CB 3.37Å; R121-W124 PolarHBondContact O-N 3.46Å; W124-R126 PolarHBondContact O-N 3.49Å; W124-H127 PolarHBondContact O-N 2.83Å; W124-T128 WeakPolarHBondContact O-CB 2.81Å; W124-T128 PolarHBondContact O-N 3.38Å; W124-T128 PolarHBondContact O-OG1 3.28Å
125E89.4Confident87.7Confident86 Ų8696.7 Ų96.740%0.40245%0.451SS..Hα-helixtrans-58.4-50.1178.6-71.9169.2178.400110.8R121 H127 T128 E129R121-E125 WeakPolarHBondContact O-CG 3.28Å; R121-E125 PolarHBondContact O-N 2.92Å; E125-H127 PolarHBondContact O-N 3.32Å; E125-T128 PolarHBondContact O-N 2.97Å; E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 2.69Å
126R89.7Confident86.8Confident152 Ų15295.2 Ų95.257%0.57444%0.444SS*.Hα-helixtrans-57.1-46.7177-74.4-170.1-67.6159.6-5.1112.7R122 D123 W124 T128 E129 E130R122-R126 WeakPolarHBondContact O-CG 3.4Å; R122-R126 PolarHBondContact O-N 3.46Å; R122-R126 VanDerWaalsContact O-N 3.16Å; D123-R126 IonicContact OD1-CZ 3.64Å; D123-R126 IonicContact OD1-NE 3.91Å; D123-R126 IonicContact OD1-NH2 2.63Å; D123-R126 PolarHBondContact OD1-NH2 3.1Å; W124-R126 PolarHBondContact O-N 3.49Å; R126-T128 VanDerWaalsContact C-N 3.33Å; R126-T128 PolarHBondContact O-N 3Å; R126-E129 PolarHBondContact O-N 3.38Å; R126-E130 WeakPolarHBondContact O-CB 3.4Å; R126-E130 PolarHBondContact O-N 3.3Å
127H84.9Confident85.9Confident103 Ų103102.6 Ų102.648%0.47747%0.465SS..Hα-helixtrans-64.6-39.8179.5-174.4-86.2000111.8D123 W124 E125 E130 M131D123-H127 WeakPolarHBondContact O-CB 3.43Å; D123-H127 PolarHBondContact O-N 2.99Å; W124-H127 PolarHBondContact O-N 2.83Å; E125-H127 PolarHBondContact O-N 3.32Å; H127-E130 PolarHBondContact O-N 2.72Å; H127-M131 VanDerWaalsContact O-CG 3.3Å; H127-M131 WeakPolarHBondContact O-CG 3.31Å; H127-M131 PolarHBondContact O-N 3.32Å
128T88Confident84.7Confident38 Ų38107.9 Ų107.923%0.23348%0.479CS..Hα-helixtrans-68.5-40-179.9-49.30000111.7W124 E125 R126 K132W124-T128 WeakPolarHBondContact O-CB 2.81Å; W124-T128 PolarHBondContact O-N 3.38Å; W124-T128 PolarHBondContact O-OG1 3.28Å; E125-T128 PolarHBondContact O-N 2.97Å; R126-T128 VanDerWaalsContact C-N 3.33Å; R126-T128 PolarHBondContact O-N 3Å; T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.41Å; T128-K132 VanDerWaalsContact O-N 3.08Å
129E84.2Confident83.1Confident127 Ų127113.5 Ų113.559%0.59350%0.496SS*.Hα-helixtrans-64.7-43.8173-73.7177.2175.100112.4E125 R126 M131 K132 W133E125-E129 WeakPolarHBondContact O-CG 3.39Å; E125-E129 PolarHBondContact O-N 2.69Å; R126-E129 PolarHBondContact O-N 3.38Å; E129-M131 VanDerWaalsContact C-N 3.32Å; E129-M131 PolarHBondContact O-N 2.93Å; E129-K132 WeakPolarHBondContact O-CB 3.27Å; E129-K132 PolarHBondContact O-N 3.26Å; E129-K132 VanDerWaalsContact O-N 3.16Å; E129-W133 WeakPolarHBondContact O-CB 3.4Å; E129-W133 PolarHBondContact O-N 3.5Å
130E83.9Confident81.4Confident96 Ų96116.7 Ų116.745%0.44951%0.509SS..Hα-helixtrans-60-43.5176.3-176.559.6-144.700111.1R126 H127 K132 W133 Q134R126-E130 WeakPolarHBondContact O-CB 3.4Å; R126-E130 PolarHBondContact O-N 3.3Å; H127-E130 PolarHBondContact O-N 2.72Å; E130-K132 PolarHBondContact O-N 2.97Å; E130-W133 PolarHBondContact O-N 3.29Å; E130-Q134 WeakPolarHBondContact O-CG 3.32Å; E130-Q134 PolarHBondContact O-N 2.88Å; E130-Q134 PolarHBondContact OE1-NE2 3.14Å; E130-Q134 VanDerWaalsContact OE1-NE2 3.08Å
131M80Confident79.6Confident110 Ų110118 Ų11854%0.54252%0.521SS..Hα-helixtrans-61-42.5174.9-74.2-67.5-72.400112.2H127 E129 A135H127-M131 VanDerWaalsContact O-CG 3.3Å; H127-M131 WeakPolarHBondContact O-CG 3.31Å; H127-M131 PolarHBondContact O-N 3.32Å; E129-M131 VanDerWaalsContact C-N 3.32Å; E129-M131 PolarHBondContact O-N 2.93Å; M131-A135 WeakPolarHBondContact O-CB 3Å; M131-A135 PolarHBondContact O-N 3.3Å
132K81.9Confident77.7Confident146 Ų146113 Ų11364%0.63551%0.513SS*.Hα-helixtrans-63.7-44.1174.6-73.4174.2-178.4176.90111.4T128 E129 E130 A135 E136T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.41Å; T128-K132 VanDerWaalsContact O-N 3.08Å; E129-K132 WeakPolarHBondContact O-CB 3.27Å; E129-K132 PolarHBondContact O-N 3.26Å; E129-K132 VanDerWaalsContact O-N 3.16Å; E130-K132 PolarHBondContact O-N 2.97Å; K132-A135 PolarHBondContact O-N 2.98Å; K132-E136 PolarHBondContact O-N 2.93Å
133W78.6Confident75.7Confident166 Ų166113.8 Ų113.863%0.62953%0.525SS*.Hα-helixtrans-61.8-44.8177.9-178.7-103.6000111.8E129 E130 A135 E136 R137E129-W133 WeakPolarHBondContact O-CB 3.4Å; E129-W133 PolarHBondContact O-N 3.5Å; E130-W133 PolarHBondContact O-N 3.29Å; W133-A135 PolarHBondContact O-N 2.95Å; W133-E136 PolarHBondContact O-N 2.96Å; W133-R137 WeakPolarHBondContact O-CB 3.34Å; W133-R137 PolarHBondContact O-N 3.43Å
134Q81.3Confident73.5Confident90 Ų90117.9 Ų117.942%0.42155%0.548SS..Hα-helixtrans-63.9-40176.5-72.9-171.923.200112.6E130 E136 R137 K138E130-Q134 WeakPolarHBondContact O-CG 3.32Å; E130-Q134 PolarHBondContact O-N 2.88Å; E130-Q134 PolarHBondContact OE1-NE2 3.14Å; E130-Q134 VanDerWaalsContact OE1-NE2 3.08Å; Q134-E136 VanDerWaalsContact C-N 3.35Å; Q134-R137 PolarHBondContact O-N 3.08Å; Q134-K138 WeakPolarHBondContact O-CG 3.39Å; Q134-K138 PolarHBondContact O-N 3.44Å
135A77.4Confident71.5Confident57 Ų57119.2 Ų119.247%0.47156%0.56SS.*Hα-helixtrans-62.8-41.9174.800000111.8M131 K132 W133 K138 R139M131-A135 WeakPolarHBondContact O-CB 3Å; M131-A135 PolarHBondContact O-N 3.3Å; K132-A135 PolarHBondContact O-N 2.98Å; W133-A135 PolarHBondContact O-N 2.95Å; A135-K138 PolarHBondContact O-N 3.29Å; A135-R139 PolarHBondContact O-N 3.38Å; A135-R139 VanDerWaalsContact O-N 3.1Å
136E75.9Confident69.2Low90 Ų90118.5 Ų118.542%0.42156%0.561SS.*Hα-helixtrans-68.9-38.5177.2-164.259.1-146.900112.1K132 W133 Q134 K138 R139 K140K132-E136 PolarHBondContact O-N 2.93Å; W133-E136 PolarHBondContact O-N 2.96Å; Q134-E136 VanDerWaalsContact C-N 3.35Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 2.97Å; E136-R139 WeakPolarHBondContact O-CA 3.48Å; E136-R139 WeakPolarHBondContact O-CB 3.45Å; E136-R139 PolarHBondContact O-N 3.39Å; E136-K140 PolarHBondContact O-N 3.45Å
137R74.6Confident66.8Low186 Ų186116.7 Ų116.770%0.70256%0.563SS**Hα-helixtrans-66.6-33.4177-146.3178.998.4150.96112.4W133 Q134 P141W133-R137 WeakPolarHBondContact O-CB 3.34Å; W133-R137 PolarHBondContact O-N 3.43Å; Q134-R137 PolarHBondContact O-N 3.08Å; R137-P141 WeakPolarHBondContact O-CD 3.46Å
138K68.7Low64.6Low159 Ų159120 Ų12069%0.69158%0.584SS**Hα-helixtrans-72.6-27.5170.7-72.9-179.5179.3179.40112.3Q134 A135 E136Q134-K138 WeakPolarHBondContact O-CG 3.39Å; Q134-K138 PolarHBondContact O-N 3.44Å; A135-K138 PolarHBondContact O-N 3.29Å; E136-K138 VanDerWaalsContact C-N 3.32Å; E136-K138 PolarHBondContact O-N 2.97Å
139R61.2Low62.5Low173 Ų173123.4 Ų123.465%0.65360%0.6SS**Hα-helixtrans-73.6-39175.1-83.8-175.2167.8173.4-1.9113.8A135 E136 A142 N143A135-R139 PolarHBondContact O-N 3.38Å; A135-R139 VanDerWaalsContact O-N 3.1Å; E136-R139 WeakPolarHBondContact O-CA 3.48Å; E136-R139 WeakPolarHBondContact O-CB 3.45Å; E136-R139 PolarHBondContact O-N 3.39Å; R139-A142 PolarHBondContact O-N 3.04Å; R139-A142 VanDerWaalsContact O-N 3.13Å; R139-N143 PolarHBondContact O-N 3.36Å; R139-N143 VanDerWaalsContact O-N 3.15Å
140K57.3Low60.5Low145 Ų145124.1 Ų124.163%0.6361%0.607SS**Hα-helixtrans-59.1-42.6-175.8-82.9-175.6174.4-1790115.5E136E136-K140 PolarHBondContact O-N 3.45Å
141P54.2Low59Low80 Ų80121.8 Ų121.852%0.51960%0.596SS.*Hα-helixtrans-79-22.5173.229.3-31.6000112.9R137 N143R137-P141 WeakPolarHBondContact O-CD 3.46Å; P141-N143 PolarHBondContact O-N 3.47Å
142A50.7Low57.7Low51 Ų51124.8 Ų124.842%0.42161%0.606SS.*Hα-helixtrans-74.6-13.3176.800000113.6R139 T146R139-A142 PolarHBondContact O-N 3.04Å; R139-A142 VanDerWaalsContact O-N 3.13Å; A142-T146 PolarHBondContact O-OG1 3.41Å
143N49.2Very low56.3Low130 Ų130121 Ų12170%0.69559%0.592SS**THydrogen-bonded Turntrans-98-9.8-178.5-148.550.8000113.6R139 P141R139-N143 PolarHBondContact O-N 3.36Å; R139-N143 VanDerWaalsContact O-N 3.15Å; P141-N143 PolarHBondContact O-N 3.47Å
144D46.8Very low54.9Low154 Ų154116 Ų11682%0.82458%0.58SS**THydrogen-bonded Turntrans-103.3-10172.8-78.1-22.9000113.1
145E44.3Very low53.6Low165 Ų165121.9 Ų121.977%0.77161%0.605SS**SBendtrans-13261.3175.5-75.5-177.2148.200111
146T41.5Very low52.6Low70 Ų70121.4 Ų121.443%0.42960%0.598SS.*  trans-169.3130.1160.650.10000109.4A142A142-T146 PolarHBondContact O-OG1 3.41Å
147D38Very low52Low115 Ų115122.9 Ų122.962%0.61561%0.609SS**  cis-154.4127.8-2.4-76.3-46.7000104.6I149D147-I149 HydrophobicContact CB-CG1 4.12Å; D147-I149 PolarHBondContact O-N 3.22Å
148N39.3Very low51.8Low172 Ų172120.4 Ų120.492%0.9261%0.605SS**  trans-61.988.8156.1-90.2-31000106.8N150N148-N150 VanDerWaalsContact C-N 3.25Å; N148-N150 PolarHBondContact O-N 2.98Å
149I44Very low52.4Low110 Ų110112.9 Ų112.956%0.56457%0.572SS**  trans-68.993.6170.5-59.1174.5000106.2D147 F151 V196D147-I149 HydrophobicContact CB-CG1 4.12Å; D147-I149 PolarHBondContact O-N 3.22Å; I149-F151 VanDerWaalsContact C-N 3.29Å; I149-F151 PolarHBondContact O-N 2.7Å; I149-V196 HydrophobicContact CG2-CG1 4.14Å
150N42.8Very low53.7Low141 Ų141104.9 Ų104.975%0.75454%0.543SS*.  trans-75.583.7178.3-144.8-2.6000108N148 K152N148-N150 VanDerWaalsContact C-N 3.25Å; N148-N150 PolarHBondContact O-N 2.98Å; N150-K152 PolarHBondContact O-N 2.96Å
151F50.4Low55.1Low47 Ų4798 Ų9821%0.20651%0.513CS..  trans-68.299.6172.3-172.3-104.7000108.1I149 L153 V160 A194 V196 I204 E206I149-F151 VanDerWaalsContact C-N 3.29Å; I149-F151 PolarHBondContact O-N 2.7Å; F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 HydrophobicContact CD1-CD1 4.23Å; F151-L153 HydrophobicContact CE1-CD1 3.84Å; F151-L153 PolarHBondContact O-N 3.1Å; F151-V160 HydrophobicContact CE1-CG1 4.17Å; F151-V160 HydrophobicContact CE1-CG2 4.42Å; F151-V160 HydrophobicContact CZ-CG1 4.49Å; F151-A194 HydrophobicContact CE2-CB 3.9Å; F151-A194 HydrophobicContact CZ-CB 3.78Å; F151-V196 HydrophobicContact CD2-CB 4.4Å; F151-V196 HydrophobicContact CD2-CG2 3.67Å; F151-V196 HydrophobicContact CE2-CG2 3.9Å; F151-I204 HydrophobicContact CE1-CG2 4.35Å; F151-I204 HydrophobicContact CE2-CG2 4.1Å; F151-I204 HydrophobicContact CZ-CG2 3.99Å; F151-E206 HydrophobicContact CE1-CB 4.44Å; F151-E206 HydrophobicContact CZ-CB 3.98Å
152K53.7Low56.8Low174 Ų17499.1 Ų99.176%0.75751%0.506SS*.  trans-71.292.2172.6-79.4-175.4178.2179.10108.6N150N150-K152 PolarHBondContact O-N 2.96Å
153L52.2Low58.7Low65 Ų6596.7 Ų96.734%0.3449%0.486SS..  trans-59.6128.2171.4-16879.7000110.4F151 D157 V160F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 HydrophobicContact CD1-CD1 4.23Å; F151-L153 HydrophobicContact CE1-CD1 3.84Å; F151-L153 PolarHBondContact O-N 3.1Å; L153-D157 HydrophobicContact CD2-CB 4Å; L153-D157 WeakPolarHBondContact CD2-OD1 3.45Å; L153-V160 HydrophobicContact CD1-CG2 3.25Å
154T49.8Very low60.5Low62 Ų6295.3 Ų95.338%0.3847%0.474SS..  trans-119.4104.1-178.252.20000111.1S156 I193 E206T154-S156 PolarHBondContact O-N 2.87Å; T154-I193 VanDerWaalsContact OG1-CG2 3.22Å; T154-I193 WeakPolarHBondContact OG1-CG2 3.39Å; T154-E206 VanDerWaalsContact C-OE1 3.28Å; T154-E206 PolarHBondContact N-OE1 3.18Å; T154-E206 PolarHBondContact N-OE2 3.21Å; T154-E206 VanDerWaalsContact N-OE2 3.08Å; T154-E206 PolarHBondContact OG1-OE2 2.88Å
155K53.9Low62.4Low214 Ų21489 Ų8993%0.9344%0.439SS*.SBendtrans78-5.1163.7-72179.2174.8177.70120.2
156S56Low63.9Low47 Ų4784 Ų8433%0.32943%0.426SS..  trans-165.3112163.1-170.50000113.3T154 Q158 A159T154-S156 PolarHBondContact O-N 2.87Å; S156-Q158 PolarHBondContact O-N 3.45Å; S156-A159 PolarHBondContact O-N 2.81Å
157D63.4Low65.1Low121 Ų12186.8 Ų86.865%0.64743%0.43SS*.G310 helixtrans-57.8-14.1173.3-119-23.2000113.6L153L153-D157 HydrophobicContact CD2-CB 4Å; L153-D157 WeakPolarHBondContact CD2-OD1 3.45Å
158Q70Confident66.3Low133 Ų13383.1 Ų83.162%0.62142%0.419SS*.G310 helixtrans-86.5-14.3-175.8-61.2-178.7-1.800113S156 Y210 W236S156-Q158 PolarHBondContact O-N 3.45Å; Q158-Y210 HydrophobicContact CB-CD2 4.17Å; Q158-Y210 WeakPolarHBondContact O-CD2 3.35Å; Q158-W236 WeakPolarHBondContact O-CZ3 3.44Å
159A82.9Confident67.2Low1 Ų184.8 Ų84.81%0.00842%0.422CS..G310 helixtrans-106.220.8-172.800000114.4S156 F207S156-A159 PolarHBondContact O-N 2.81Å; A159-F207 HydrophobicContact CB-CB 4.41Å; A159-F207 VanDerWaalsContact CB-O 3.25Å; A159-F207 WeakPolarHBondContact CB-O 3.48Å; A159-F207 PolarHBondContact O-N 3.38Å
160V86.8Confident67.9Low5 Ų584 Ų843%0.0342%0.418CS..EExtended strand (participates in β ladder)trans-101.4128.5-177.6-167.40000112.6F151 L153 I204 A205 E206 L237F151-V160 HydrophobicContact CE1-CG1 4.17Å; F151-V160 HydrophobicContact CE1-CG2 4.42Å; F151-V160 HydrophobicContact CZ-CG1 4.49Å; L153-V160 HydrophobicContact CD1-CG2 3.25Å; V160-I204 HydrophobicContact CG1-CG2 3.52Å; V160-A205 WeakPolarHBondContact CA-O 3.45Å; V160-E206 HydrophobicContact CG2-CB 4.39Å; V160-E206 HydrophobicContact CG2-CG 4.32Å; V160-L237 HydrophobicContact CB-CB 4.18Å; V160-L237 HydrophobicContact CB-CD2 4.36Å; V160-L237 HydrophobicContact CG1-CB 3.94Å; V160-L237 HydrophobicContact CG1-CD2 3.58Å; V160-L237 HydrophobicContact CG1-CG 4.35Å; V160-L237 PolarHBondContact O-N 2.92Å
161V88.6Confident68.8Low0 Ų085.6 Ų85.60%042%0.419CS..EExtended strand (participates in β ladder)trans-122.2132.2-176.7-170.20000110.3I204 A205 F207 A213 I217 L234 S235 W236V161-I204 WeakPolarHBondContact O-CA 3.31Å; V161-A205 PolarHBondContact N-O 3.12Å; V161-A205 PolarHBondContact O-N 3.04Å; V161-F207 HydrophobicContact CB-CE2 4.3Å; V161-F207 HydrophobicContact CG2-CD2 3.95Å; V161-F207 HydrophobicContact CG2-CE2 3.89Å; V161-A213 HydrophobicContact CG2-CB 3.69Å; V161-I217 HydrophobicContact CG1-CD1 3.96Å; V161-I217 HydrophobicContact CG1-CG1 3.74Å; V161-I217 HydrophobicContact CG2-CD1 3.97Å; V161-I217 HydrophobicContact CG2-CG1 4.26Å; V161-L234 HydrophobicContact CG1-CB 3.63Å; V161-L234 HydrophobicContact CG1-CD2 3.65Å; V161-L234 HydrophobicContact CG1-CG 4.02Å; V161-S235 CarbonylContact C-O 3.51Å; V161-S235 WeakPolarHBondContact CA-O 3.32Å; V161-S235 WeakPolarHBondContact CG1-O 3.1Å; V161-W236 HydrophobicContact CG2-CZ3 4.37Å
162R89.8Confident69.3Low104 Ų10490.4 Ų90.439%0.39244%0.442SS..EExtended strand (participates in β ladder)trans-89.2125.8169.4178.6-176.8-69.3175.7-2.6109.5L234 S235 L237R162-L234 CarbonylContact O-C 3.53Å; R162-L234 WeakPolarHBondContact O-CA 3.35Å; R162-S235 PolarHBondContact N-O 3.48Å; R162-S235 PolarHBondContact O-N 2.97Å; R162-S235 PolarHBondContact O-OG 3.36Å; R162-L237 HydrophobicContact CB-CD1 3.96Å
163I90Very high69.6Low0 Ų082.1 Ų82.10%041%0.406CS..EExtended strand (participates in β ladder)trans-105.9133.6178.8-54.3153.8000108W165 L186 F195 S202 A203 A205 L232 Q233 L234I163-W165 HydrophobicContact CG2-CE3 4.29Å; I163-W165 HydrophobicContact CG2-CZ3 4.46Å; I163-L186 HydrophobicContact CD1-CD1 3.6Å; I163-L186 HydrophobicContact CD1-CD2 4.14Å; I163-L186 HydrophobicContact CD1-CG 4.44Å; I163-F195 HydrophobicContact CD1-CE2 3.76Å; I163-S202 CarbonylContact O-C 3.2Å; I163-S202 VanDerWaalsContact O-CA 3.31Å; I163-S202 WeakPolarHBondContact O-CA 3.42Å; I163-A203 HydrophobicContact CB-CB 4.19Å; I163-A203 HydrophobicContact CD1-CB 4.17Å; I163-A203 PolarHBondContact N-O 3.34Å; I163-A203 PolarHBondContact O-N 3.18Å; I163-A205 HydrophobicContact CD1-CB 3.83Å; I163-L232 HydrophobicContact CG2-CB 4.3Å; I163-L232 HydrophobicContact CG2-CD1 4.32Å; I163-L232 HydrophobicContact CG2-CD2 4.08Å; I163-L232 HydrophobicContact CG2-CG 4.46Å; I163-Q233 CarbonylContact C-O 3.54Å; I163-Q233 WeakPolarHBondContact CA-O 3.32Å; I163-L234 HydrophobicContact CG1-CD2 4.05Å; I163-L234 HydrophobicContact CG1-CG 4.02Å
164K87.4Confident70Confident101 Ų10182.4 Ų82.444%0.43941%0.408SS..EExtended strand (participates in β ladder)trans-131.1144.7173.3-74.5-173.6174.1-179.80110.1G201 Q233K164-G201 WeakPolarHBondContact CA-O 3.44Å; K164-Q233 HydrophobicContact CB-CB 4.38Å; K164-Q233 PolarHBondContact N-O 3.26Å; K164-Q233 PolarHBondContact O-N 3.36Å
165W85.9Confident70.8Confident22 Ų2282.3 Ų82.38%0.08341%0.414CS..  trans-135.7161.8169.561.897.5000110.5I163 Y167 Y177 L182 I197 G201 S202 A203 L232I163-W165 HydrophobicContact CG2-CE3 4.29Å; I163-W165 HydrophobicContact CG2-CZ3 4.46Å; W165-Y167 PolarHBondContact O-N 2.88Å; W165-Y177 HydrophobicContact CB-CD2 4.32Å; W165-Y177 HydrophobicContact CB-CE2 4.2Å; W165-Y177 AromaticContact CD1-CD2 3.54Å; W165-Y177 HydrophobicContact CD2-CD2 4.3Å; W165-Y177 HydrophobicContact CD2-CG 4.33Å; W165-Y177 AromaticContact CG-CD2 3.83Å; W165-Y177 HydrophobicContact CG-CD2 3.83Å; W165-Y177 HydrophobicContact CG-CE2 4.21Å; W165-Y177 HydrophobicContact CG-CG 4.31Å; W165-Y177 AromaticContact NE1-CD2 3.8Å; W165-L182 HydrophobicContact CH2-CD1 3.79Å; W165-L182 HydrophobicContact CZ3-CD1 3.87Å; W165-I197 HydrophobicContact CH2-CG2 4.39Å; W165-G201 VanDerWaalsContact CE3-O 3.25Å; W165-G201 VanDerWaalsContact CZ2-CA 3.43Å; W165-G201 PolarHBondContact N-O 3.36Å; W165-S202 WeakPolarHBondContact CH2-O 3.47Å; W165-S202 VanDerWaalsContact CZ3-C 3.47Å; W165-A203 HydrophobicContact CH2-CB 4.3Å; W165-A203 HydrophobicContact CZ3-CB 3.9Å; W165-L232 HydrophobicContact CB-CD2 3.74Å; W165-L232 HydrophobicContact CD2-CD2 4.42Å; W165-L232 HydrophobicContact CE3-CD2 4.16Å; W165-L232 HydrophobicContact CG-CD2 4.33Å
166A76.3Confident71.7Confident61 Ų6174.9 Ų74.950%0.50439%0.388SS..  trans-62.7103.4179.500000110.2L230A166-L230 HydrophobicContact CB-CD2 3.94Å
167Y66.4Low72.9Confident127 Ų12773 Ų7350%0.49837%0.374SS..  trans-91102.2171.7-172.7-98.6000108.3W165 N174 R200 G201W165-Y167 PolarHBondContact O-N 2.88Å; Y167-N174 VanDerWaalsContact CD2-OD1 3.23Å; Y167-N174 WeakPolarHBondContact CD2-OD1 3.38Å; Y167-N174 WeakPolarHBondContact CE2-OD1 3.45Å; Y167-R200 VanDerWaalsContact CB-O 3.26Å; Y167-R200 WeakPolarHBondContact CB-O 3.36Å; Y167-R200 HydrophobicContact CD1-CB 3.77Å; Y167-R200 HydrophobicContact CD1-CG 4.15Å; Y167-R200 HydrophobicContact CE1-CB 3.95Å; Y167-R200 HydrophobicContact CE1-CG 3.87Å; Y167-R200 VanDerWaalsContact CG-CA 3.5Å; Y167-R200 HydrophobicContact CG-CB 4.06Å; Y167-G201 VanDerWaalsContact CD2-N 3.32Å
168G63.2Low73.8Confident39 Ų3970.2 Ų70.240%0.40236%0.361SS..SBendtrans-145.2-172.3178.200000111.1N170G168-N170 PolarHBondContact O-N 3.18Å
169E57.5Low74.5Confident207 Ų20768.3 Ų68.397%0.96735%0.352SS*.SBendtrans-58.6-2.7177.9-65.8-179.7164.400114.2F171E169-F171 VanDerWaalsContact C-N 3.31Å; E169-F171 PolarHBondContact O-N 3.3Å
170N59.4Low74.6Confident93 Ų9372 Ų7250%0.49738%0.378SS..  trans-68.284.4169.2-69.7-18.8000110.7G168 Q172 A173G168-N170 PolarHBondContact O-N 3.18Å; N170-Q172 PolarHBondContact O-N 2.91Å; N170-A173 HydrophobicContact CB-CB 4.2Å; N170-A173 WeakPolarHBondContact O-CB 3.39Å; N170-A173 PolarHBondContact O-N 3.45Å
171F61.8Low74.7Confident174 Ų17474.8 Ų74.876%0.76339%0.39SS*.Hα-helixtrans-48.8-32172.1-171.3-97000112.4E169 A173 N174 A175E169-F171 VanDerWaalsContact C-N 3.31Å; E169-F171 PolarHBondContact O-N 3.3Å; F171-A173 PolarHBondContact O-N 3.26Å; F171-N174 PolarHBondContact O-N 3.1Å; F171-A175 WeakPolarHBondContact O-CB 3.34Å; F171-A175 PolarHBondContact O-N 3.36Å
172Q59.6Low74.6Confident149 Ų14974.8 Ų74.870%0.69639%0.39SS*.Hα-helixtrans-59.7-40.6174-71.9175.8-24.500113.4N170 N174 A175 C176N170-Q172 PolarHBondContact O-N 2.91Å; Q172-N174 VanDerWaalsContact C-N 3.32Å; Q172-N174 PolarHBondContact O-N 3.08Å; Q172-A175 PolarHBondContact O-N 2.86Å; Q172-C176 WeakPolarHBondContact O-CB 3.42Å; Q172-C176 PolarHBondContact O-N 3.41Å; Q172-C176 PolarHBondContact O-SG 2.85Å
173A59.9Low74.5Confident0 Ų074 Ų740%039%0.387CS..Hα-helixtrans-65.1-38.5-179.900000111.7N170 F171 Y177 L230N170-A173 HydrophobicContact CB-CB 4.2Å; N170-A173 WeakPolarHBondContact O-CB 3.39Å; N170-A173 PolarHBondContact O-N 3.45Å; F171-A173 PolarHBondContact O-N 3.26Å; A173-Y177 WeakPolarHBondContact O-CD2 3.1Å; A173-Y177 PolarHBondContact O-N 3.4Å; A173-L230 HydrophobicContact CB-CD1 3.63Å
174N62.5Low74.4Confident71 Ų7178.6 Ų78.638%0.3842%0.415SS..Hα-helixtrans-76.3-28.6179.1-69.5-22.6000112.8Y167 F171 Q172Y167-N174 VanDerWaalsContact CD2-OD1 3.23Å; Y167-N174 WeakPolarHBondContact CD2-OD1 3.38Å; Y167-N174 WeakPolarHBondContact CE2-OD1 3.45Å; F171-N174 PolarHBondContact O-N 3.1Å; Q172-N174 VanDerWaalsContact C-N 3.32Å; Q172-N174 PolarHBondContact O-N 3.08Å
175A66.6Low74.4Confident60 Ų6074.8 Ų74.850%0.49640%0.4SS..Hα-helixtrans-77.9-31.2175.700000112.7F171 Q172F171-A175 WeakPolarHBondContact O-CB 3.34Å; F171-A175 PolarHBondContact O-N 3.36Å; Q172-A175 PolarHBondContact O-N 2.86Å
176C71.3Confident74.5Confident58 Ų5873.8 Ų73.839%0.39240%0.397SS..Hα-helixtrans-89.5-32.4-173.6-65.60000114.5Q172 T178 L227Q172-C176 WeakPolarHBondContact O-CB 3.42Å; Q172-C176 PolarHBondContact O-N 3.41Å; Q172-C176 PolarHBondContact O-SG 2.85Å; C176-T178 VanDerWaalsContact C-N 3.31Å; C176-T178 PolarHBondContact O-N 3.16Å; C176-L227 HydrophobicContact CB-CD1 3.73Å
177Y81.6Confident75.1Confident8 Ų874.5 Ų74.53%0.03140%0.398CS..  trans-86.167.7179.9-74.8-63.2000112.3W165 A173 F181 L182 L227 L230 L232W165-Y177 HydrophobicContact CB-CD2 4.32Å; W165-Y177 HydrophobicContact CB-CE2 4.2Å; W165-Y177 AromaticContact CD1-CD2 3.54Å; W165-Y177 HydrophobicContact CD2-CD2 4.3Å; W165-Y177 HydrophobicContact CD2-CG 4.33Å; W165-Y177 AromaticContact CG-CD2 3.83Å; W165-Y177 HydrophobicContact CG-CD2 3.83Å; W165-Y177 HydrophobicContact CG-CE2 4.21Å; W165-Y177 HydrophobicContact CG-CG 4.31Å; W165-Y177 AromaticContact NE1-CD2 3.8Å; A173-Y177 WeakPolarHBondContact O-CD2 3.1Å; A173-Y177 PolarHBondContact O-N 3.4Å; Y177-F181 AromaticContact CD1-CD1 3.62Å; Y177-F181 HydrophobicContact CD1-CD1 3.62Å; Y177-F181 AromaticContact CD1-CE1 3.73Å; Y177-F181 HydrophobicContact CD1-CE1 3.73Å; Y177-F181 AromaticContact CE1-CD1 3.89Å; Y177-F181 HydrophobicContact CE1-CD1 3.89Å; Y177-F181 AromaticContact CE1-CE1 3.48Å; Y177-F181 HydrophobicContact CE1-CE1 3.48Å; Y177-F181 VanDerWaalsContact CE1-CE1 3.48Å; Y177-L182 HydrophobicContact CD1-CD2 3.55Å; Y177-L182 HydrophobicContact CD1-CG 4.23Å; Y177-L182 HydrophobicContact CE1-CD2 4.18Å; Y177-L182 HydrophobicContact CG-CD2 4.4Å; Y177-L227 HydrophobicContact CE2-CD1 4.24Å; Y177-L227 WeakPolarHBondContact OH-CB 3.5Å; Y177-L227 PolarHBondContact OH-N 2.85Å; Y177-L230 HydrophobicContact CE2-CB 4.04Å; Y177-L230 PolarHBondContact OH-O 2.75Å; Y177-L232 HydrophobicContact CD1-CD2 3.9Å; Y177-L232 HydrophobicContact CE1-CD1 4.02Å; Y177-L232 HydrophobicContact CE1-CD2 3.42Å; Y177-L232 VanDerWaalsContact CE1-CD2 3.42Å; Y177-L232 HydrophobicContact CE1-CG 3.81Å; Y177-L232 HydrophobicContact CE2-CD2 4.32Å
178T82.8Confident76.1Confident61 Ų6176 Ų7637%0.37441%0.409SS..  trans-78.3163.8172.460.90000111.7C176 S180 F181 L182C176-T178 VanDerWaalsContact C-N 3.31Å; C176-T178 PolarHBondContact O-N 3.16Å; T178-S180 VanDerWaalsContact C-N 3.27Å; T178-S180 PolarHBondContact O-N 2.95Å; T178-S180 PolarHBondContact OG1-OG 3.45Å; T178-F181 PolarHBondContact O-N 3.19Å; T178-F181 WeakPolarHBondContact OG1-CB 3.35Å; T178-F181 PolarHBondContact OG1-N 2.9Å; T178-L182 WeakPolarHBondContact O-CG 3.37Å; T178-L182 PolarHBondContact O-N 3.18Å
179E84.1Confident77.4Confident93 Ų9375.8 Ų75.844%0.43540%0.398SS..Hα-helixtrans-54.3-45174.1-178.8178.7175.700111.9L182 R183 F195 I197E179-L182 PolarHBondContact O-N 3.06Å; E179-R183 HydrophobicContact CG-CG 4.45Å; E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.32Å; E179-R183 PolarHBondContact O-N 2.84Å; E179-R183 IonicContact OE1-CZ 3.65Å; E179-R183 IonicContact OE1-NE 2.99Å; E179-R183 PolarHBondContact OE1-NE 3.31Å; E179-R183 IonicContact OE1-NH2 3.38Å; E179-R183 PolarHBondContact OE1-NH2 3.37Å; E179-F195 HydrophobicContact CB-CE1 4.42Å; E179-F195 HydrophobicContact CG-CD1 3.77Å; E179-F195 HydrophobicContact CG-CE1 3.88Å; E179-I197 HydrophobicContact CB-CD1 3.74Å
180S86.1Confident78.8Confident79 Ų7966.7 Ų66.755%0.55236%0.36SS*.Hα-helixtrans-60.6-46.7178.151.90000111.7T178 R183 T184T178-S180 VanDerWaalsContact C-N 3.27Å; T178-S180 PolarHBondContact O-N 2.95Å; T178-S180 PolarHBondContact OG1-OG 3.45Å; S180-R183 PolarHBondContact O-N 3.36Å; S180-T184 PolarHBondContact O-N 3.42Å; S180-T184 PolarHBondContact O-OG1 3.15Å
181F87.2Confident80.2Confident63 Ų6367.7 Ų67.728%0.27637%0.365SS..Hα-helixtrans-63.2-45.8-179.8-176-100.7000112Y177 T178 R183 T184 C185 L227Y177-F181 AromaticContact CD1-CD1 3.62Å; Y177-F181 HydrophobicContact CD1-CD1 3.62Å; Y177-F181 AromaticContact CD1-CE1 3.73Å; Y177-F181 HydrophobicContact CD1-CE1 3.73Å; Y177-F181 AromaticContact CE1-CD1 3.89Å; Y177-F181 HydrophobicContact CE1-CD1 3.89Å; Y177-F181 AromaticContact CE1-CE1 3.48Å; Y177-F181 HydrophobicContact CE1-CE1 3.48Å; Y177-F181 VanDerWaalsContact CE1-CE1 3.48Å; T178-F181 PolarHBondContact O-N 3.19Å; T178-F181 WeakPolarHBondContact OG1-CB 3.35Å; T178-F181 PolarHBondContact OG1-N 2.9Å; F181-R183 PolarHBondContact O-N 3.15Å; F181-T184 WeakPolarHBondContact O-CB 3.26Å; F181-T184 PolarHBondContact O-N 3.38Å; F181-C185 PolarHBondContact O-N 3.01Å; F181-C185 PolarHBondContact O-SG 3.21Å; F181-C185 VanDerWaalsContact O-SG 3.37Å; F181-L227 HydrophobicContact CE1-CG 4.17Å; F181-L227 HydrophobicContact CZ-CD2 3.9Å; F181-L227 HydrophobicContact CZ-CG 3.96Å
182L87.7Confident81.4Confident0 Ų060 Ų600%033%0.333CS..Hα-helixtrans-62.9-43.5177.8-69.4172.1000111.5W165 Y177 T178 E179 T184 C185 L186 F195 I197 A203 L232W165-L182 HydrophobicContact CH2-CD1 3.79Å; W165-L182 HydrophobicContact CZ3-CD1 3.87Å; Y177-L182 HydrophobicContact CD1-CD2 3.55Å; Y177-L182 HydrophobicContact CD1-CG 4.23Å; Y177-L182 HydrophobicContact CE1-CD2 4.18Å; Y177-L182 HydrophobicContact CG-CD2 4.4Å; T178-L182 WeakPolarHBondContact O-CG 3.37Å; T178-L182 PolarHBondContact O-N 3.18Å; E179-L182 PolarHBondContact O-N 3.06Å; L182-T184 VanDerWaalsContact C-N 3.33Å; L182-T184 PolarHBondContact O-N 3.27Å; L182-C185 PolarHBondContact O-N 3.48Å; L182-L186 WeakPolarHBondContact O-CD1 3.5Å; L182-L186 WeakPolarHBondContact O-CG 3.38Å; L182-L186 PolarHBondContact O-N 3.43Å; L182-F195 HydrophobicContact CB-CE1 4.24Å; L182-F195 HydrophobicContact CB-CE2 4.04Å; L182-F195 HydrophobicContact CB-CZ 3.46Å; L182-F195 VanDerWaalsContact CB-CZ 3.46Å; L182-F195 HydrophobicContact CD1-CE1 4.34Å; L182-F195 HydrophobicContact CD1-CZ 3.67Å; L182-F195 HydrophobicContact CG-CZ 4.18Å; L182-I197 HydrophobicContact CD1-CD1 4.36Å; L182-I197 HydrophobicContact CD1-CG1 4.5Å; L182-A203 HydrophobicContact CD1-CB 4.3Å; L182-L232 HydrophobicContact CD2-CD1 3.54Å; L182-L232 HydrophobicContact CD2-CD2 3.96Å; L182-L232 HydrophobicContact CD2-CG 4.42Å
183R88.1Confident82.7Confident89 Ų8956.8 Ų56.834%0.33632%0.319SS..Hα-helixtrans-60.1-42174.1-76178.5172.5-83.67111.9E179 S180 F181 L186 S187 F195E179-R183 HydrophobicContact CG-CG 4.45Å; E179-R183 WeakPolarHBondContact O-CB 3.4Å; E179-R183 WeakPolarHBondContact O-CG 3.32Å; E179-R183 PolarHBondContact O-N 2.84Å; E179-R183 IonicContact OE1-CZ 3.65Å; E179-R183 IonicContact OE1-NE 2.99Å; E179-R183 PolarHBondContact OE1-NE 3.31Å; E179-R183 IonicContact OE1-NH2 3.38Å; E179-R183 PolarHBondContact OE1-NH2 3.37Å; S180-R183 PolarHBondContact O-N 3.36Å; F181-R183 PolarHBondContact O-N 3.15Å; R183-L186 PolarHBondContact O-N 3.37Å; R183-S187 WeakPolarHBondContact O-CB 3.49Å; R183-S187 PolarHBondContact O-N 3.2Å; R183-F195 HydrophobicContact CG-CD1 4.39Å; R183-F195 HydrophobicContact CG-CG 4.28Å
184T87.3Confident83.9Confident96 Ų9657.7 Ų57.759%0.58933%0.327SS*.Hα-helixtrans-60.7-47.8175-58.90000111.4S180 F181 L182 L186 S187S180-T184 PolarHBondContact O-N 3.42Å; S180-T184 PolarHBondContact O-OG1 3.15Å; F181-T184 WeakPolarHBondContact O-CB 3.26Å; F181-T184 PolarHBondContact O-N 3.38Å; L182-T184 VanDerWaalsContact C-N 3.33Å; L182-T184 PolarHBondContact O-N 3.27Å; T184-L186 VanDerWaalsContact C-N 3.29Å; T184-L186 PolarHBondContact O-N 3.4Å; T184-S187 PolarHBondContact O-N 2.84Å; T184-S187 PolarHBondContact O-OG 3.02Å
185C86.6Confident85Confident20 Ų2055 Ų5514%0.13531%0.312CS..Hα-helixtrans-60.8-36.6177.2-67.90000113F181 L182 F189 V225F181-C185 PolarHBondContact O-N 3.01Å; F181-C185 PolarHBondContact O-SG 3.21Å; F181-C185 VanDerWaalsContact O-SG 3.37Å; L182-C185 PolarHBondContact O-N 3.48Å; C185-F189 WeakPolarHBondContact O-CE2 3.45Å; C185-V225 HydrophobicContact CB-CG1 4.47Å
186L88.6Confident86Confident1 Ų154.3 Ų54.31%0.00530%0.301CS..Hα-helixtrans-80.1-28.5-178.8-63165.3000112.6I163 L182 R183 T184 E188 F189 G190 V192 F195 A205 F207 L234I163-L186 HydrophobicContact CD1-CD1 3.6Å; I163-L186 HydrophobicContact CD1-CD2 4.14Å; I163-L186 HydrophobicContact CD1-CG 4.44Å; L182-L186 WeakPolarHBondContact O-CD1 3.5Å; L182-L186 WeakPolarHBondContact O-CG 3.38Å; L182-L186 PolarHBondContact O-N 3.43Å; R183-L186 PolarHBondContact O-N 3.37Å; T184-L186 VanDerWaalsContact C-N 3.29Å; T184-L186 PolarHBondContact O-N 3.4Å; L186-E188 PolarHBondContact O-N 2.93Å; L186-E188 VanDerWaalsContact O-N 3.16Å; L186-F189 PolarHBondContact O-N 3.19Å; L186-G190 PolarHBondContact O-N 3.08Å; L186-V192 HydrophobicContact CB-CG2 3.64Å; L186-V192 HydrophobicContact CD1-CG2 4.36Å; L186-F195 HydrophobicContact CD1-CD2 3.96Å; L186-F195 HydrophobicContact CD1-CE2 3.63Å; L186-A205 HydrophobicContact CD1-CB 3.78Å; L186-F207 HydrophobicContact CB-CE1 4.3Å; L186-F207 HydrophobicContact CB-CZ 4.06Å; L186-F207 HydrophobicContact CD2-CE2 4.43Å; L186-F207 HydrophobicContact CD2-CZ 3.8Å; L186-F207 HydrophobicContact CG-CZ 4.41Å; L186-L234 HydrophobicContact CD2-CD2 3.73Å
187S88.7Confident86.7Confident76 Ų7655 Ų5553%0.53130%0.3SS..Hα-helixtrans-62.1-19.8178.870.60000114R183 T184 F189 G190R183-S187 WeakPolarHBondContact O-CB 3.49Å; R183-S187 PolarHBondContact O-N 3.2Å; T184-S187 PolarHBondContact O-N 2.84Å; T184-S187 PolarHBondContact O-OG 3.02Å; S187-F189 PolarHBondContact O-N 2.9Å; S187-G190 WeakPolarHBondContact CA-O 3.29Å
188E88Confident86.7Confident158 Ų15855.8 Ų55.874%0.73831%0.311SS*.THydrogen-bonded Turntrans-67.2-26.4173.3-170177.3170.900112.4L186L186-E188 PolarHBondContact O-N 2.93Å; L186-E188 VanDerWaalsContact O-N 3.16Å
189F89.4Confident86.4Confident35 Ų3559.4 Ų59.415%0.15432%0.321CS..THydrogen-bonded Turntrans-98.3-25.8-176.7-56.9-72.2000113.6C185 L186 S187 F207 E212 K215 A216 A219 V225C185-F189 WeakPolarHBondContact O-CE2 3.45Å; L186-F189 PolarHBondContact O-N 3.19Å; S187-F189 PolarHBondContact O-N 2.9Å; F189-F207 HydrophobicContact CB-CE1 4.35Å; F189-E212 WeakPolarHBondContact O-CG 3.43Å; F189-K215 HydrophobicContact CB-CB 4.45Å; F189-K215 HydrophobicContact CD1-CB 4.22Å; F189-A216 HydrophobicContact CB-CB 3.86Å; F189-A216 HydrophobicContact CD2-CB 3.94Å; F189-A216 HydrophobicContact CG-CB 3.81Å; F189-A219 HydrophobicContact CD1-CB 4.18Å; F189-A219 HydrophobicContact CE1-CB 3.24Å; F189-A219 HydrophobicContact CE2-CB 4.41Å; F189-A219 HydrophobicContact CZ-CB 3.4Å; F189-A219 VanDerWaalsContact CZ-CB 3.4Å; F189-V225 HydrophobicContact CE2-CB 4.49Å; F189-V225 HydrophobicContact CE2-CG1 3.98Å; F189-V225 HydrophobicContact CE2-CG2 3.75Å; F189-V225 HydrophobicContact CZ-CG2 3.67Å
190G88.2Confident86Confident17 Ų1764.3 Ų64.318%0.17534%0.336CS..SBendtrans170.1-175.7-175.700000113.8L186 S187 E212L186-G190 PolarHBondContact O-N 3.08Å; S187-G190 WeakPolarHBondContact CA-O 3.29Å; G190-E212 VanDerWaalsContact CA-CG 3.5Å; G190-E212 WeakPolarHBondContact CA-OE2 3.14Å
191D87.5Confident85.9Confident113 Ų11360.8 Ų60.860%0.60431%0.312SS*.  trans-89.9128.6-179.2-167.310.8000110.4F207 S208 E212D191-F207 CarbonylContact O-C 3.53Å; D191-F207 WeakPolarHBondContact O-CA 3.41Å; D191-S208 PolarHBondContact O-N 3.18Å; D191-E212 PolarHBondContact N-OE2 2.92Å
192V88.3Confident85.9Confident14 Ų1459.5 Ų59.59%0.08531%0.311CS..EExtended strand (participates in β ladder)trans-99.8102.2-174.8-178.30000109.5L186 A194 F195 A205 E206 F207L186-V192 HydrophobicContact CB-CG2 3.64Å; L186-V192 HydrophobicContact CD1-CG2 4.36Å; V192-A194 WeakPolarHBondContact CG1-O 3.41Å; V192-F195 HydrophobicContact CG1-CB 4.09Å; V192-F195 HydrophobicContact CG1-CD2 4.31Å; V192-A205 HydrophobicContact CG1-CB 4.12Å; V192-E206 CarbonylContact C-O 3.54Å; V192-E206 WeakPolarHBondContact CA-O 2.95Å; V192-F207 HydrophobicContact CG2-CD1 4.2Å; V192-F207 HydrophobicContact CG2-CE1 3.93Å; V192-F207 HydrophobicContact CG2-CZ 4.4Å
193I86.5Confident85.9Confident80 Ų8059.6 Ų59.641%0.4131%0.311SS..EExtended strand (participates in β ladder)trans-69.5-47.7-177.1-58.6177.5000111T154 E206T154-I193 VanDerWaalsContact OG1-CG2 3.22Å; T154-I193 WeakPolarHBondContact OG1-CG2 3.39Å; I193-E206 HydrophobicContact CB-CG 4.46Å; I193-E206 PolarHBondContact N-O 3.49Å
194A84.4Confident86Confident19 Ų1957.5 Ų57.516%0.15731%0.306CS..EExtended strand (participates in β ladder)trans-131.7141.9-17900000110.4F151 V192 A205 E206F151-A194 HydrophobicContact CE2-CB 3.9Å; F151-A194 HydrophobicContact CZ-CB 3.78Å; V192-A194 WeakPolarHBondContact CG1-O 3.41Å; A194-A205 CarbonylContact O-C 3.43Å; A194-A205 WeakPolarHBondContact O-CA 3.44Å; A194-E206 HydrophobicContact CB-CB 3.92Å; A194-E206 PolarHBondContact N-O 3.39Å; A194-E206 PolarHBondContact O-N 3.08Å
195F87Confident86.1Confident16 Ų1653 Ų537%0.0728%0.278CS..EExtended strand (participates in β ladder)trans-146.3133.7-179-172.4-95000110I163 E179 L182 R183 L186 V192 I197 A203 I204 A205I163-F195 HydrophobicContact CD1-CE2 3.76Å; E179-F195 HydrophobicContact CB-CE1 4.42Å; E179-F195 HydrophobicContact CG-CD1 3.77Å; E179-F195 HydrophobicContact CG-CE1 3.88Å; L182-F195 HydrophobicContact CB-CE1 4.24Å; L182-F195 HydrophobicContact CB-CE2 4.04Å; L182-F195 HydrophobicContact CB-CZ 3.46Å; L182-F195 VanDerWaalsContact CB-CZ 3.46Å; L182-F195 HydrophobicContact CD1-CE1 4.34Å; L182-F195 HydrophobicContact CD1-CZ 3.67Å; L182-F195 HydrophobicContact CG-CZ 4.18Å; R183-F195 HydrophobicContact CG-CD1 4.39Å; R183-F195 HydrophobicContact CG-CG 4.28Å; L186-F195 HydrophobicContact CD1-CD2 3.96Å; L186-F195 HydrophobicContact CD1-CE2 3.63Å; V192-F195 HydrophobicContact CG1-CB 4.09Å; V192-F195 HydrophobicContact CG1-CD2 4.31Å; F195-I197 HydrophobicContact CD1-CG1 4.34Å; F195-I197 HydrophobicContact CE1-CD1 4.1Å; F195-I197 HydrophobicContact CE1-CG1 3.47Å; F195-I197 VanDerWaalsContact CE1-CG1 3.47Å; F195-I197 HydrophobicContact CZ-CG1 4.15Å; F195-A203 HydrophobicContact CE1-CB 4.44Å; F195-A203 HydrophobicContact CE2-CB 4.09Å; F195-A203 HydrophobicContact CZ-CB 3.71Å; F195-I204 CarbonylContact C-O 3.57Å; F195-I204 WeakPolarHBondContact CA-O 3.24Å; F195-A205 HydrophobicContact CD2-CB 3.78Å; F195-A205 HydrophobicContact CE2-CB 4.22Å
196V86.7Confident86.2Confident45 Ų4552 Ų5227%0.27327%0.272SS..EExtended strand (participates in β ladder)trans-139.51261791770000109.7I149 F151 A203 I204I149-V196 HydrophobicContact CG2-CG1 4.14Å; F151-V196 HydrophobicContact CD2-CB 4.4Å; F151-V196 HydrophobicContact CD2-CG2 3.67Å; F151-V196 HydrophobicContact CE2-CG2 3.9Å; V196-A203 CarbonylContact O-C 3.56Å; V196-A203 WeakPolarHBondContact O-CA 3.45Å; V196-A203 WeakPolarHBondContact O-CB 3.41Å; V196-I204 PolarHBondContact N-O 2.81Å; V196-I204 PolarHBondContact O-N 3.25Å
197I86Confident86.3Confident71 Ų7152.1 Ų52.136%0.36427%0.273SS..EExtended strand (participates in β ladder)trans-84.3125.8170.4-61.7-176.1000109.1W165 E179 L182 F195 A203W165-I197 HydrophobicContact CH2-CG2 4.39Å; E179-I197 HydrophobicContact CB-CD1 3.74Å; L182-I197 HydrophobicContact CD1-CD1 4.36Å; L182-I197 HydrophobicContact CD1-CG1 4.5Å; F195-I197 HydrophobicContact CD1-CG1 4.34Å; F195-I197 HydrophobicContact CE1-CD1 4.1Å; F195-I197 HydrophobicContact CE1-CG1 3.47Å; F195-I197 VanDerWaalsContact CE1-CG1 3.47Å; F195-I197 HydrophobicContact CZ-CG1 4.15Å; I197-A203 HydrophobicContact CG1-CB 4.47Å
198G81.5Confident86.2Confident25 Ų2551.5 Ų51.526%0.25827%0.268SS..EExtended strand (participates in β ladder)trans-90.6177.7171.400000112.9S202G198-S202 WeakPolarHBondContact CA-O 3.24Å; G198-S202 PolarHBondContact N-O 3.03Å
199K77.8Confident86.1Confident138 Ų13846.7 Ų46.760%0.625%0.249SC*.THydrogen-bonded Turntrans-74.5157.7173.9-60.4176.3-175.6172.50109.8G201 S202K199-G201 PolarHBondContact O-N 2.89Å; K199-S202 PolarHBondContact O-OG 3.08Å
200R75.6Confident86Confident196 Ų19649.8 Ų49.874%0.7426%0.261SS*.THydrogen-bonded Turntrans58.143.7170.7-55.8-174.4176.1104.1-1.9115.6Y167Y167-R200 VanDerWaalsContact CB-O 3.26Å; Y167-R200 WeakPolarHBondContact CB-O 3.36Å; Y167-R200 HydrophobicContact CD1-CB 3.77Å; Y167-R200 HydrophobicContact CD1-CG 4.15Å; Y167-R200 HydrophobicContact CE1-CB 3.95Å; Y167-R200 HydrophobicContact CE1-CG 3.87Å; Y167-R200 VanDerWaalsContact CG-CA 3.5Å; Y167-R200 HydrophobicContact CG-CB 4.06Å
201G82.8Confident86Confident5 Ų553.7 Ų53.75%0.05228%0.278CS..THydrogen-bonded Turntrans71.841.8174.100000114.4K164 W165 Y167 K199K164-G201 WeakPolarHBondContact CA-O 3.44Å; W165-G201 VanDerWaalsContact CE3-O 3.25Å; W165-G201 VanDerWaalsContact CZ2-CA 3.43Å; W165-G201 PolarHBondContact N-O 3.36Å; Y167-G201 VanDerWaalsContact CD2-N 3.32Å; K199-G201 PolarHBondContact O-N 2.89Å
202S86.6Confident86.1Confident36 Ų3650 Ų5025%0.25226%0.257SS..EExtended strand (participates in β ladder)trans-126.8150.5176.762.60000110.6I163 W165 G198 K199I163-S202 CarbonylContact O-C 3.2Å; I163-S202 VanDerWaalsContact O-CA 3.31Å; I163-S202 WeakPolarHBondContact O-CA 3.42Å; W165-S202 WeakPolarHBondContact CH2-O 3.47Å; W165-S202 VanDerWaalsContact CZ3-C 3.47Å; G198-S202 WeakPolarHBondContact CA-O 3.24Å; G198-S202 PolarHBondContact N-O 3.03Å; K199-S202 PolarHBondContact O-OG 3.08Å
203A89.3Confident86.2Confident1 Ų149.3 Ų49.31%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-147.8163170.100000110.3I163 W165 L182 F195 V196 I197I163-A203 HydrophobicContact CB-CB 4.19Å; I163-A203 HydrophobicContact CD1-CB 4.17Å; I163-A203 PolarHBondContact N-O 3.34Å; I163-A203 PolarHBondContact O-N 3.18Å; W165-A203 HydrophobicContact CH2-CB 4.3Å; W165-A203 HydrophobicContact CZ3-CB 3.9Å; L182-A203 HydrophobicContact CD1-CB 4.3Å; F195-A203 HydrophobicContact CE1-CB 4.44Å; F195-A203 HydrophobicContact CE2-CB 4.09Å; F195-A203 HydrophobicContact CZ-CB 3.71Å; V196-A203 CarbonylContact O-C 3.56Å; V196-A203 WeakPolarHBondContact O-CA 3.45Å; V196-A203 WeakPolarHBondContact O-CB 3.41Å; I197-A203 HydrophobicContact CG1-CB 4.47Å
204I90.1Very high86.3Confident46 Ų4649.4 Ų49.424%0.23625%0.25CS..EExtended strand (participates in β ladder)trans-127132.7175.7-59176.2000107.2F151 V160 V161 F195 V196 L237F151-I204 HydrophobicContact CE1-CG2 4.35Å; F151-I204 HydrophobicContact CE2-CG2 4.1Å; F151-I204 HydrophobicContact CZ-CG2 3.99Å; V160-I204 HydrophobicContact CG1-CG2 3.52Å; V161-I204 WeakPolarHBondContact O-CA 3.31Å; F195-I204 CarbonylContact C-O 3.57Å; F195-I204 WeakPolarHBondContact CA-O 3.24Å; V196-I204 PolarHBondContact N-O 2.81Å; V196-I204 PolarHBondContact O-N 3.25Å; I204-L237 HydrophobicContact CD1-CD1 4.14Å; I204-L237 HydrophobicContact CG1-CD1 4.4Å; I204-L237 HydrophobicContact CG2-CD2 4.21Å
205A89.2Confident86.6Confident0 Ų054.4 Ų54.40%027%0.268CS..EExtended strand (participates in β ladder)trans-128.4133.4177.500000110.3V160 V161 I163 L186 V192 A194 F195 F207V160-A205 WeakPolarHBondContact CA-O 3.45Å; V161-A205 PolarHBondContact N-O 3.12Å; V161-A205 PolarHBondContact O-N 3.04Å; I163-A205 HydrophobicContact CD1-CB 3.83Å; L186-A205 HydrophobicContact CD1-CB 3.78Å; V192-A205 HydrophobicContact CG1-CB 4.12Å; A194-A205 CarbonylContact O-C 3.43Å; A194-A205 WeakPolarHBondContact O-CA 3.44Å; F195-A205 HydrophobicContact CD2-CB 3.78Å; F195-A205 HydrophobicContact CE2-CB 4.22Å; A205-F207 HydrophobicContact CB-CE2 4.38Å
206E89.3Confident86.7Confident1 Ų153.6 Ų53.61%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-102.7122.9169.2-179.8173.6-142.100108.5F151 T154 V160 V192 I193 A194F151-E206 HydrophobicContact CE1-CB 4.44Å; F151-E206 HydrophobicContact CZ-CB 3.98Å; T154-E206 VanDerWaalsContact C-OE1 3.28Å; T154-E206 PolarHBondContact N-OE1 3.18Å; T154-E206 PolarHBondContact N-OE2 3.21Å; T154-E206 VanDerWaalsContact N-OE2 3.08Å; T154-E206 PolarHBondContact OG1-OE2 2.88Å; V160-E206 HydrophobicContact CG2-CB 4.39Å; V160-E206 HydrophobicContact CG2-CG 4.32Å; V192-E206 CarbonylContact C-O 3.54Å; V192-E206 WeakPolarHBondContact CA-O 2.95Å; I193-E206 HydrophobicContact CB-CG 4.46Å; I193-E206 PolarHBondContact N-O 3.49Å; A194-E206 HydrophobicContact CB-CB 3.92Å; A194-E206 PolarHBondContact N-O 3.39Å; A194-E206 PolarHBondContact O-N 3.08Å
207F88.9Confident86.8Confident3 Ų352 Ų521%0.01326%0.255CS..EExtended strand (participates in β ladder)trans-92.4158.4175.3-73-91.6000111.5A159 V161 L186 F189 D191 V192 A205 T209 E212 A213 A216A159-F207 HydrophobicContact CB-CB 4.41Å; A159-F207 VanDerWaalsContact CB-O 3.25Å; A159-F207 WeakPolarHBondContact CB-O 3.48Å; A159-F207 PolarHBondContact O-N 3.38Å; V161-F207 HydrophobicContact CB-CE2 4.3Å; V161-F207 HydrophobicContact CG2-CD2 3.95Å; V161-F207 HydrophobicContact CG2-CE2 3.89Å; L186-F207 HydrophobicContact CB-CE1 4.3Å; L186-F207 HydrophobicContact CB-CZ 4.06Å; L186-F207 HydrophobicContact CD2-CE2 4.43Å; L186-F207 HydrophobicContact CD2-CZ 3.8Å; L186-F207 HydrophobicContact CG-CZ 4.41Å; F189-F207 HydrophobicContact CB-CE1 4.35Å; D191-F207 CarbonylContact O-C 3.53Å; D191-F207 WeakPolarHBondContact O-CA 3.41Å; V192-F207 HydrophobicContact CG2-CD1 4.2Å; V192-F207 HydrophobicContact CG2-CE1 3.93Å; V192-F207 HydrophobicContact CG2-CZ 4.4Å; A205-F207 HydrophobicContact CB-CE2 4.38Å; F207-T209 VanDerWaalsContact C-N 3.34Å; F207-T209 PolarHBondContact O-N 2.97Å; F207-E212 HydrophobicContact CB-CB 4.1Å; F207-E212 HydrophobicContact CD1-CB 3.89Å; F207-E212 HydrophobicContact CG-CB 4.26Å; F207-A213 HydrophobicContact CB-CB 4.09Å; F207-A213 HydrophobicContact CD2-CB 3.75Å; F207-A213 HydrophobicContact CE2-CB 4.49Å; F207-A213 HydrophobicContact CG-CB 4.12Å; F207-A216 HydrophobicContact CE1-CB 4.39Å; F207-A216 HydrophobicContact CE2-CB 4.09Å; F207-A216 HydrophobicContact CZ-CB 3.65Å
208S86.4Confident87Confident62 Ų6254.1 Ų54.143%0.43426%0.261SS..SBendtrans-65.1-36.9177.2-171.60000113.1D191 E212D191-S208 PolarHBondContact O-N 3.18Å; S208-E212 WeakPolarHBondContact CB-OE2 3.41Å; S208-E212 PolarHBondContact N-OE2 2.93Å
209T86.9Confident87.3Confident57 Ų5753.6 Ų53.635%0.3526%0.255SS..SBendtrans-130.5152.4178.666.50000112.8F207 D211 E212 A213F207-T209 VanDerWaalsContact C-N 3.34Å; F207-T209 PolarHBondContact O-N 2.97Å; T209-D211 PolarHBondContact O-N 3.21Å; T209-E212 WeakPolarHBondContact O-CB 3.33Å; T209-E212 PolarHBondContact O-N 3.01Å; T209-E212 WeakPolarHBondContact OG1-CG 3.49Å; T209-E212 PolarHBondContact OG1-N 3.47Å; T209-E212 PolarHBondContact OG1-OE1 3.46Å; T209-A213 PolarHBondContact O-N 3.39Å
210Y87.6Confident87.8Confident100 Ų10047.7 Ų47.739%0.39223%0.231SC..Hα-helixtrans-59-35.9174.8173-104.5000112.3Q158 A213 K214 W236Q158-Y210 HydrophobicContact CB-CD2 4.17Å; Q158-Y210 WeakPolarHBondContact O-CD2 3.35Å; Y210-A213 PolarHBondContact O-N 2.98Å; Y210-K214 HydrophobicContact CE1-CD 3.98Å; Y210-K214 VanDerWaalsContact O-CB 3.28Å; Y210-K214 WeakPolarHBondContact O-CB 3.48Å; Y210-K214 PolarHBondContact O-N 3.39Å; Y210-W236 AromaticContact CD2-CH2 3.63Å; Y210-W236 HydrophobicContact CD2-CH2 3.63Å; Y210-W236 HydrophobicContact CD2-CZ2 4.38Å; Y210-W236 HydrophobicContact CD2-CZ3 4.12Å; Y210-W236 AromaticContact CE2-CH2 3.35Å; Y210-W236 HydrophobicContact CE2-CH2 3.35Å; Y210-W236 AromaticContact CE2-CZ2 3.67Å; Y210-W236 HydrophobicContact CE2-CZ2 3.67Å; Y210-W236 HydrophobicContact CE2-CZ3 4.02Å
211D87.9Confident88.2Confident100 Ų10045.1 Ų45.154%0.53523%0.227SC..Hα-helixtrans-68-35.5179.4-76.8-35.6000112.4T209 K214 K215T209-D211 PolarHBondContact O-N 3.21Å; D211-K214 PolarHBondContact O-N 3.37Å; D211-K215 VanDerWaalsContact O-CG 3.26Å; D211-K215 WeakPolarHBondContact O-CG 3.46Å; D211-K215 PolarHBondContact O-N 3.5Å
212E90.6Very high88.1Confident35 Ų3551.4 Ų51.416%0.16426%0.255CS..Hα-helixtrans-63.7-49172.7-72161.2-14500111.6F189 G190 D191 F207 S208 T209 K214 K215 A216F189-E212 WeakPolarHBondContact O-CG 3.43Å; G190-E212 VanDerWaalsContact CA-CG 3.5Å; G190-E212 WeakPolarHBondContact CA-OE2 3.14Å; D191-E212 PolarHBondContact N-OE2 2.92Å; F207-E212 HydrophobicContact CB-CB 4.1Å; F207-E212 HydrophobicContact CD1-CB 3.89Å; F207-E212 HydrophobicContact CG-CB 4.26Å; S208-E212 WeakPolarHBondContact CB-OE2 3.41Å; S208-E212 PolarHBondContact N-OE2 2.93Å; T209-E212 WeakPolarHBondContact O-CB 3.33Å; T209-E212 PolarHBondContact O-N 3.01Å; T209-E212 WeakPolarHBondContact OG1-CG 3.49Å; T209-E212 PolarHBondContact OG1-N 3.47Å; T209-E212 PolarHBondContact OG1-OE1 3.46Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.02Å; E212-K215 WeakPolarHBondContact O-CB 3.39Å; E212-K215 PolarHBondContact O-N 2.66Å; E212-A216 PolarHBondContact O-N 3.14Å
213A89.4Confident87.8Confident0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-58.3-42.3175.100000112V161 F207 T209 Y210 A216 I217 W236V161-A213 HydrophobicContact CG2-CB 3.69Å; F207-A213 HydrophobicContact CB-CB 4.09Å; F207-A213 HydrophobicContact CD2-CB 3.75Å; F207-A213 HydrophobicContact CE2-CB 4.49Å; F207-A213 HydrophobicContact CG-CB 4.12Å; T209-A213 PolarHBondContact O-N 3.39Å; Y210-A213 PolarHBondContact O-N 2.98Å; A213-A216 PolarHBondContact O-N 3.38Å; A213-I217 PolarHBondContact O-N 2.81Å; A213-W236 HydrophobicContact CB-CH2 3.65Å; A213-W236 HydrophobicContact CB-CZ3 3.66Å
214K88.8Confident87.2Confident81 Ų8158.9 Ų58.935%0.35229%0.293SS..Hα-helixtrans-66-36.7178-173.2178.1-179.3-177.70112.5Y210 D211 E212 K218 W236Y210-K214 HydrophobicContact CE1-CD 3.98Å; Y210-K214 VanDerWaalsContact O-CB 3.28Å; Y210-K214 WeakPolarHBondContact O-CB 3.48Å; Y210-K214 PolarHBondContact O-N 3.39Å; D211-K214 PolarHBondContact O-N 3.37Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.02Å; K214-K218 WeakPolarHBondContact O-CG 3.47Å; K214-K218 PolarHBondContact O-N 3.11Å; K214-K218 VanDerWaalsContact O-N 3.13Å; K214-W236 HydrophobicContact CB-CH2 4.29Å; K214-W236 HydrophobicContact CB-CZ2 4.11Å
215K89.6Confident86.8Confident124 Ų12456.8 Ų56.854%0.53928%0.282SS..Hα-helixtrans-63.8-45173.3-75.1170-173.3174.80111.1F189 D211 E212 I217 K218 A219F189-K215 HydrophobicContact CB-CB 4.45Å; F189-K215 HydrophobicContact CD1-CB 4.22Å; D211-K215 VanDerWaalsContact O-CG 3.26Å; D211-K215 WeakPolarHBondContact O-CG 3.46Å; D211-K215 PolarHBondContact O-N 3.5Å; E212-K215 WeakPolarHBondContact O-CB 3.39Å; E212-K215 PolarHBondContact O-N 2.66Å; K215-I217 PolarHBondContact O-N 3.48Å; K215-K218 PolarHBondContact O-N 3Å; K215-A219 WeakPolarHBondContact O-CB 3.44Å; K215-A219 PolarHBondContact O-N 3.13Å
216A90.2Very high86.5Confident0 Ų058 Ų580%029%0.294CS..Hα-helixtrans-61.9-43.5179.300000112.4F189 F207 E212 A213 A219 S220 L234F189-A216 HydrophobicContact CB-CB 3.86Å; F189-A216 HydrophobicContact CD2-CB 3.94Å; F189-A216 HydrophobicContact CG-CB 3.81Å; F207-A216 HydrophobicContact CE1-CB 4.39Å; F207-A216 HydrophobicContact CE2-CB 4.09Å; F207-A216 HydrophobicContact CZ-CB 3.65Å; E212-A216 PolarHBondContact O-N 3.14Å; A213-A216 PolarHBondContact O-N 3.38Å; A216-A219 PolarHBondContact O-N 3.44Å; A216-S220 PolarHBondContact O-N 3.06Å; A216-L234 HydrophobicContact CB-CD2 3.93Å
217I89.3Confident86Confident12 Ų1260 Ų606%0.06231%0.305CS..Hα-helixtrans-63.8-47.4177-69.9168.3000111.2V161 A213 K215 A219 S220 E221 L234 W236V161-I217 HydrophobicContact CG1-CD1 3.96Å; V161-I217 HydrophobicContact CG1-CG1 3.74Å; V161-I217 HydrophobicContact CG2-CD1 3.97Å; V161-I217 HydrophobicContact CG2-CG1 4.26Å; A213-I217 PolarHBondContact O-N 2.81Å; K215-I217 PolarHBondContact O-N 3.48Å; I217-A219 VanDerWaalsContact C-N 3.28Å; I217-A219 PolarHBondContact O-N 2.65Å; I217-S220 WeakPolarHBondContact O-CB 3.5Å; I217-S220 PolarHBondContact O-N 3.37Å; I217-S220 PolarHBondContact O-OG 2.89Å; I217-E221 PolarHBondContact O-N 2.86Å; I217-E221 VanDerWaalsContact O-N 3.12Å; I217-L234 HydrophobicContact CG1-CB 3.98Å; I217-W236 HydrophobicContact CD1-CD2 3.35Å; I217-W236 HydrophobicContact CD1-CE3 3.82Å; I217-W236 HydrophobicContact CD1-CG 3.74Å; I217-W236 HydrophobicContact CD1-CH2 4.06Å; I217-W236 HydrophobicContact CD1-CZ2 3.61Å; I217-W236 HydrophobicContact CD1-CZ3 4.13Å
218K89.1Confident85.5Confident114 Ų11466.1 Ų66.150%0.49635%0.345SS..Hα-helixtrans-59-38.3176.3-77.3-177.3174.8-169.30112.6K214 K215 S220 H222K214-K218 WeakPolarHBondContact O-CG 3.47Å; K214-K218 PolarHBondContact O-N 3.11Å; K214-K218 VanDerWaalsContact O-N 3.13Å; K215-K218 PolarHBondContact O-N 3Å; K218-S220 VanDerWaalsContact C-N 3.32Å; K218-H222 PolarHBondContact O-ND1 3.11Å
219A88.7Confident85Confident15 Ų1567.8 Ų67.812%0.12436%0.356CS..Hα-helixtrans-67.5-35.3176.300000111.9F189 K215 A216 I217 H222 G223 K224 V225F189-A219 HydrophobicContact CD1-CB 4.18Å; F189-A219 HydrophobicContact CE1-CB 3.24Å; F189-A219 HydrophobicContact CE2-CB 4.41Å; F189-A219 HydrophobicContact CZ-CB 3.4Å; F189-A219 VanDerWaalsContact CZ-CB 3.4Å; K215-A219 WeakPolarHBondContact O-CB 3.44Å; K215-A219 PolarHBondContact O-N 3.13Å; A216-A219 PolarHBondContact O-N 3.44Å; I217-A219 VanDerWaalsContact C-N 3.28Å; I217-A219 PolarHBondContact O-N 2.65Å; A219-H222 PolarHBondContact O-N 2.96Å; A219-G223 PolarHBondContact O-N 3Å; A219-K224 HydrophobicContact CB-CB 4.47Å; A219-K224 WeakPolarHBondContact O-CB 3.2Å; A219-K224 PolarHBondContact O-N 3.4Å; A219-V225 HydrophobicContact CB-CG2 3.51Å
220S87.7Confident84.5Confident14 Ų1466.3 Ų66.310%0.09835%0.346CS..Hα-helixtrans-66.2-36.1177.686.40000113A216 I217 K218 H222 G223 L234A216-S220 PolarHBondContact O-N 3.06Å; I217-S220 WeakPolarHBondContact O-CB 3.5Å; I217-S220 PolarHBondContact O-N 3.37Å; I217-S220 PolarHBondContact O-OG 2.89Å; K218-S220 VanDerWaalsContact C-N 3.32Å; S220-H222 PolarHBondContact O-N 2.99Å; S220-G223 PolarHBondContact O-N 3.3Å; S220-L234 PolarHBondContact OG-N 3.26Å; S220-L234 PolarHBondContact OG-O 2.92Å
221E84.8Confident84.3Confident142 Ų14264.5 Ų64.566%0.66435%0.347SS*.Hα-helixtrans-60.7-28.5175.5-69.4170.1175.900112.1I217I217-E221 PolarHBondContact O-N 2.86Å; I217-E221 VanDerWaalsContact O-N 3.12Å
222H80.3Confident84.3Confident136 Ų13659.8 Ų59.863%0.6332%0.322SS*.THydrogen-bonded Turntrans-93.66.8177.3-62.481.3000113K218 A219 S220 K224K218-H222 PolarHBondContact O-ND1 3.11Å; A219-H222 PolarHBondContact O-N 2.96Å; S220-H222 PolarHBondContact O-N 2.99Å; H222-K224 HydrophobicContact CB-CD 4.24Å; H222-K224 HydrophobicContact CB-CG 3.98Å; H222-K224 PolarHBondContact O-N 2.96Å
223G80.1Confident84Confident35 Ų3564.4 Ų64.436%0.36134%0.343SS..THydrogen-bonded Turntrans6520-17700000114.1A219 S220 V225A219-G223 PolarHBondContact O-N 3Å; S220-G223 PolarHBondContact O-N 3.3Å; G223-V225 VanDerWaalsContact C-N 3.35Å
224K76.2Confident84.1Confident159 Ų15965 Ų6569%0.69135%0.346SS*.  trans-87.90.5-175.1-66.9-172.3176.5-175.60114.3A219 H222A219-K224 HydrophobicContact CB-CB 4.47Å; A219-K224 WeakPolarHBondContact O-CB 3.2Å; A219-K224 PolarHBondContact O-N 3.4Å; H222-K224 HydrophobicContact CB-CD 4.24Å; H222-K224 HydrophobicContact CB-CG 3.98Å; H222-K224 PolarHBondContact O-N 2.96Å
225V82.9Confident84Confident2 Ų263.5 Ų63.51%0.01235%0.346CS..SBendtrans-113.2124.5-177.2-165.40000109C185 F189 A219 G223 L232 L234C185-V225 HydrophobicContact CB-CG1 4.47Å; F189-V225 HydrophobicContact CE2-CB 4.49Å; F189-V225 HydrophobicContact CE2-CG1 3.98Å; F189-V225 HydrophobicContact CE2-CG2 3.75Å; F189-V225 HydrophobicContact CZ-CG2 3.67Å; A219-V225 HydrophobicContact CB-CG2 3.51Å; G223-V225 VanDerWaalsContact C-N 3.35Å; V225-L232 HydrophobicContact CB-CB 4.34Å; V225-L232 HydrophobicContact CG1-CB 4.31Å; V225-L232 HydrophobicContact CG1-CD1 4.06Å; V225-L232 WeakPolarHBondContact O-CB 3.34Å; V225-L232 PolarHBondContact O-N 3.45Å; V225-L234 HydrophobicContact CB-CD1 4.07Å; V225-L234 HydrophobicContact CG1-CD1 3.92Å; V225-L234 HydrophobicContact CG2-CD1 4.32Å
226G82.1Confident84Confident25 Ų2560.8 Ų60.826%0.25833%0.332SS..EExtended strand (participates in β ladder)trans97-161.8-178.900000114.4
227L79.4Confident83.5Confident45 Ų4563.8 Ų63.824%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-71.6137.2177.8-68.6168.7000110.6C176 Y177 F181 S229 L230C176-L227 HydrophobicContact CB-CD1 3.73Å; Y177-L227 HydrophobicContact CE2-CD1 4.24Å; Y177-L227 WeakPolarHBondContact OH-CB 3.5Å; Y177-L227 PolarHBondContact OH-N 2.85Å; F181-L227 HydrophobicContact CE1-CG 4.17Å; F181-L227 HydrophobicContact CZ-CD2 3.9Å; F181-L227 HydrophobicContact CZ-CG 3.96Å; L227-S229 PolarHBondContact O-N 3.22Å; L227-S229 VanDerWaalsContact O-N 3.07Å; L227-L230 HydrophobicContact CB-CB 4.48Å; L227-L230 CarbonylContact O-C 3.54Å; L227-L230 PolarHBondContact O-N 3.42Å
228P77.2Confident82Confident131 Ų13167.5 Ų67.585%0.85138%0.375SS*.THydrogen-bonded Turntrans-55.5-29.2177.6-26.733.9000114.2
229S76.3Confident80.2Confident96 Ų9670.5 Ų70.567%0.67139%0.388SS*.THydrogen-bonded Turntrans-80.9-18.6178.553.40000113.9L227L227-S229 PolarHBondContact O-N 3.22Å; L227-S229 VanDerWaalsContact O-N 3.07Å
230L77.6Confident77.7Confident26 Ų2677 Ų7714%0.13642%0.421CS..EExtended strand (participates in β ladder)trans-148.168.4-170.5-76161.8000110A166 A173 Y177 L227A166-L230 HydrophobicContact CB-CD2 3.94Å; A173-L230 HydrophobicContact CB-CD1 3.63Å; Y177-L230 HydrophobicContact CE2-CB 4.04Å; Y177-L230 PolarHBondContact OH-O 2.75Å; L227-L230 HydrophobicContact CB-CB 4.48Å; L227-L230 CarbonylContact O-C 3.54Å; L227-L230 PolarHBondContact O-N 3.42Å
231P82.7Confident74.9Confident63 Ų6384.3 Ų84.341%0.40946%0.459SS..EExtended strand (participates in β ladder)trans-59.1141.8-173.724.8-34.6000112.5
232L86.6Confident72.3Confident1 Ų183 Ų831%0.00546%0.461CS..  trans-76133.7173.1-65.2179000110I163 W165 Y177 L182 V225 L234I163-L232 HydrophobicContact CG2-CB 4.3Å; I163-L232 HydrophobicContact CG2-CD1 4.32Å; I163-L232 HydrophobicContact CG2-CD2 4.08Å; I163-L232 HydrophobicContact CG2-CG 4.46Å; W165-L232 HydrophobicContact CB-CD2 3.74Å; W165-L232 HydrophobicContact CD2-CD2 4.42Å; W165-L232 HydrophobicContact CE3-CD2 4.16Å; W165-L232 HydrophobicContact CG-CD2 4.33Å; Y177-L232 HydrophobicContact CD1-CD2 3.9Å; Y177-L232 HydrophobicContact CE1-CD1 4.02Å; Y177-L232 HydrophobicContact CE1-CD2 3.42Å; Y177-L232 VanDerWaalsContact CE1-CD2 3.42Å; Y177-L232 HydrophobicContact CE1-CG 3.81Å; Y177-L232 HydrophobicContact CE2-CD2 4.32Å; L182-L232 HydrophobicContact CD2-CD1 3.54Å; L182-L232 HydrophobicContact CD2-CD2 3.96Å; L182-L232 HydrophobicContact CD2-CG 4.42Å; V225-L232 HydrophobicContact CB-CB 4.34Å; V225-L232 HydrophobicContact CG1-CB 4.31Å; V225-L232 HydrophobicContact CG1-CD1 4.06Å; V225-L232 WeakPolarHBondContact O-CB 3.34Å; V225-L232 PolarHBondContact O-N 3.45Å; L232-L234 HydrophobicContact CB-CD1 3.97Å
233Q86.3Confident70Confident131 Ų13184.5 Ų84.561%0.61247%0.473SS*.EExtended strand (participates in β ladder)trans-100.1115173.6-64.1-172.7-40.100109.6I163 K164I163-Q233 CarbonylContact C-O 3.54Å; I163-Q233 WeakPolarHBondContact CA-O 3.32Å; K164-Q233 HydrophobicContact CB-CB 4.38Å; K164-Q233 PolarHBondContact N-O 3.26Å; K164-Q233 PolarHBondContact O-N 3.36Å
234L90.3Very high67.6Low13 Ų1386 Ų867%0.06849%0.49CS..EExtended strand (participates in β ladder)trans-104.7135.7178.1-72.692000110.3V161 R162 I163 L186 A216 I217 S220 V225 L232V161-L234 HydrophobicContact CG1-CB 3.63Å; V161-L234 HydrophobicContact CG1-CD2 3.65Å; V161-L234 HydrophobicContact CG1-CG 4.02Å; R162-L234 CarbonylContact O-C 3.53Å; R162-L234 WeakPolarHBondContact O-CA 3.35Å; I163-L234 HydrophobicContact CG1-CD2 4.05Å; I163-L234 HydrophobicContact CG1-CG 4.02Å; L186-L234 HydrophobicContact CD2-CD2 3.73Å; A216-L234 HydrophobicContact CB-CD2 3.93Å; I217-L234 HydrophobicContact CG1-CB 3.98Å; S220-L234 PolarHBondContact OG-N 3.26Å; S220-L234 PolarHBondContact OG-O 2.92Å; V225-L234 HydrophobicContact CB-CD1 4.07Å; V225-L234 HydrophobicContact CG1-CD1 3.92Å; V225-L234 HydrophobicContact CG2-CD1 4.32Å; L232-L234 HydrophobicContact CB-CD1 3.97Å
235S87.2Confident65.4Low49 Ų4986.2 Ų86.234%0.34350%0.496SS..EExtended strand (participates in β ladder)trans-141.7147.8-179.153.20000110.3V161 R162 L237V161-S235 CarbonylContact C-O 3.51Å; V161-S235 WeakPolarHBondContact CA-O 3.32Å; V161-S235 WeakPolarHBondContact CG1-O 3.1Å; R162-S235 PolarHBondContact N-O 3.48Å; R162-S235 PolarHBondContact O-N 2.97Å; R162-S235 PolarHBondContact O-OG 3.36Å; S235-L237 PolarHBondContact O-N 3.45Å
236W88.3Confident63Low67 Ų6792.5 Ų92.525%0.25454%0.535SS..EExtended strand (participates in β ladder)trans-61.6135.4174.6-66.6105.7000110.6Q158 V161 Y210 A213 K214 I217 S238Q158-W236 WeakPolarHBondContact O-CZ3 3.44Å; V161-W236 HydrophobicContact CG2-CZ3 4.37Å; Y210-W236 AromaticContact CD2-CH2 3.63Å; Y210-W236 HydrophobicContact CD2-CH2 3.63Å; Y210-W236 HydrophobicContact CD2-CZ2 4.38Å; Y210-W236 HydrophobicContact CD2-CZ3 4.12Å; Y210-W236 AromaticContact CE2-CH2 3.35Å; Y210-W236 HydrophobicContact CE2-CH2 3.35Å; Y210-W236 AromaticContact CE2-CZ2 3.67Å; Y210-W236 HydrophobicContact CE2-CZ2 3.67Å; Y210-W236 HydrophobicContact CE2-CZ3 4.02Å; A213-W236 HydrophobicContact CB-CH2 3.65Å; A213-W236 HydrophobicContact CB-CZ3 3.66Å; K214-W236 HydrophobicContact CB-CH2 4.29Å; K214-W236 HydrophobicContact CB-CZ2 4.11Å; I217-W236 HydrophobicContact CD1-CD2 3.35Å; I217-W236 HydrophobicContact CD1-CE3 3.82Å; I217-W236 HydrophobicContact CD1-CG 3.74Å; I217-W236 HydrophobicContact CD1-CH2 4.06Å; I217-W236 HydrophobicContact CD1-CZ2 3.61Å; I217-W236 HydrophobicContact CD1-CZ3 4.13Å; W236-S238 PolarHBondContact O-N 3.42Å
237L79.6Confident60.5Low63 Ų6397.9 Ų97.933%0.3356%0.558SS.*SBendtrans-70.1-24.3177.2-16572.6000111.9V160 R162 I204 S235V160-L237 HydrophobicContact CB-CB 4.18Å; V160-L237 HydrophobicContact CB-CD2 4.36Å; V160-L237 HydrophobicContact CG1-CB 3.94Å; V160-L237 HydrophobicContact CG1-CD2 3.58Å; V160-L237 HydrophobicContact CG1-CG 4.35Å; V160-L237 PolarHBondContact O-N 2.92Å; R162-L237 HydrophobicContact CB-CD1 3.96Å; I204-L237 HydrophobicContact CD1-CD1 4.14Å; I204-L237 HydrophobicContact CG1-CD1 4.4Å; I204-L237 HydrophobicContact CG2-CD2 4.21Å; S235-L237 PolarHBondContact O-N 3.45Å
238S57.8Low58.6Low91 Ų91101.5 Ų101.564%0.63659%0.587SS**  trans-109.2104.1179.5-172.80000111.4W236W236-S238 PolarHBondContact O-N 3.42Å
239K51.7Low56.4Low177 Ų177102.9 Ų102.977%0.7759%0.587SS**SBendtrans-168.5105.5155.1-101.7171.1-167.1-172.50108.7
240N36.1Very low54.3Low151 Ų151105.4 Ų105.481%0.80759%0.593SS**  trans34.8106.8157.5-59.1-4.3000119.2T242N240-T242 PolarHBondContact O-N 3.22Å
241N28.7Very low52.3Low167 Ų167109.2 Ų109.289%0.89362%0.618SS**  trans-67.1104.2156.3-142.71.1000108.3
242T30Very low50.2Low116 Ų116115.6 Ų115.671%0.71264%0.639SS**  trans173.1150.9152.445.20000109.5N240N240-T242 PolarHBondContact O-N 3.22Å
243D32.6Very low47.6Very low166 Ų166122.1 Ų122.189%0.88867%0.674SS**  trans84.4121.1179.7-46.1-24.6000114.3
244G30.6Very low45.4Very low68 Ų68125.7 Ų125.770%0.70169%0.687SS**  cis-178.5137.52.400000107.1T246G244-T246 PolarHBondContact O-N 2.83Å
245I29.5Very low42.6Very low162 Ų162133.9 Ų133.983%0.83173%0.725SS**  trans-58.2126.5165.3-67.2159.2000107.7
246T33.5Very low40.2Very low135 Ų135137.7 Ų137.783%0.82875%0.746SS**  trans-156.4125.7147.528.90000111G244G244-T246 PolarHBondContact O-N 2.83Å
247D29.1Very low37.6Very low137 Ų137142.7 Ų142.773%0.73377%0.772SS**  trans-46.6153.6169.1-59.9-66.7000114.4
248S39.1Very low35.4Very low122 Ų122149.1 Ų149.185%0.85380%0.797SS**  -175.1110124.1-800000111.5
249N30.2Very low34.5Very low160 Ų160152.1 Ų152.186%0.85681%0.806SS**  trans-54.6135.8153.9-68.2-53.1000110.4
250N33.8Very low33.7Very low148 Ų148152.8 Ų152.879%0.79181%0.809SS**  trans-164.7109.6133.9-139.9-15.5000114.3
251V35.5Very low33.8Very low107 Ų107155.5 Ų155.565%0.64881%0.814SS**  trans10.7129.6135.5-168.80000117.8
252K37.6Very low34.2Very low197 Ų197154.5 Ų154.586%0.85781%0.807SS**  -172.3128.3119.1-98.3163.2-167.8-177.20114.3
253D32.9Very low34.7Very low138 Ų138159 Ų15974%0.73881%0.813SS**  trans-27.4144.2162.9-63.4-56.6000117
254K39.6Very low34.9Very low206 Ų206159.2 Ų159.290%0.89681%0.808SS**  -175.8139.199.6-97173.6-177.6-177.90112.6
255Q31.5Very low35.5Very low185 Ų185161 Ų16186%0.86481%0.808SS**  trans-50.8154.6167.4-64.1170-31.100112.3
256V36.9Very low36.1Very low128 Ų128159.7 Ų159.778%0.77681%0.807SS**  -179.1131.6123157.20000110.4
257E34.5Very low36.5Very low172 Ų172158.4 Ų158.480%0.80480%0.801SS**  trans32.4118.9153.1-71.1170.7127.700123.7
258K32Very low36.9Very low199 Ų199157.4 Ų157.487%0.86581%0.805SS**  0.7120.1129.4-62.5174.7180173.30115.7
259D38.6Very low37.2Very low154 Ų154158.4 Ų158.482%0.82480%0.801SS**  -152.6148.7126.8-115.5-24.6000114.1
260K35Very low38.1Very low190 Ų190158 Ų15883%0.82679%0.791SS**  trans-55.9132.4-175.9-66.4162175.3172.30111.4
261F38.1Very low39.1Very low208 Ų208155.1 Ų155.191%0.91278%0.783SS**  trans-127.1119158.2-137.2-96.9000111
262I37.3Very low40.1Very low146 Ų146157 Ų15775%0.74979%0.79SS**  trans-70.9129.3177-65.3164.2000107.2
263Y41.5Very low40.7Very low212 Ų212153.4 Ų153.483%0.83177%0.774SS**  trans-92.2112175.8-158.9-89.6000109.4P265Y263-P265 HydrophobicContact CD1-CB 4.43Å; Y263-P265 HydrophobicContact CE1-CB 4.19Å
264E37Very low41.9Very low170 Ų170152 Ų15279%0.79476%0.763SS**PPolyproline II helixtrans-93.4127.4159.4-74.6-168.4170.300108.9
265P42.4Very low43.1Very low106 Ų106147 Ų14769%0.68875%0.75SS**PPolyproline II helixtrans-87.7122.6177.632.5-27.5000110Y263Y263-P265 HydrophobicContact CD1-CB 4.43Å; Y263-P265 HydrophobicContact CE1-CB 4.19Å
266T42.7Very low44.6Very low134 Ų134141.7 Ų141.782%0.82272%0.724SS**PPolyproline II helixtrans-89.7142.4161.148.50000110.4
267P41.1Very low46.1Very low107 Ų107140 Ų14070%0.69571%0.708SS**PPolyproline II helixtrans-102.6121.5-163.835.2-25.9000112
268S37.6Very low47.8Very low116 Ų116138 Ų13881%0.81170%0.698SS**  trans-156.261.1166.660.70000114
269N45.1Very low49.8Very low144 Ų144134.3 Ų134.377%0.7768%0.68SS**  trans-160.789.4147.9-138.4-10.5000110.6
270K49.8Very low51.3Low150 Ų150128.9 Ų128.965%0.65265%0.651SS**  trans-85.3-9.8-162.1-75.6-173.4174.9-176.40116.4
271S55Low53.2Low89 Ų89125.2 Ų125.262%0.62264%0.639SS**THydrogen-bonded Turntrans-88.8-18.8-167.354.10000116.5
272N55.8Low55Low147 Ų147118.1 Ų118.179%0.78662%0.616SS**THydrogen-bonded Turntrans-113.2-2.8-177.5-79.6-12.9000114.6
273F50.1Low56.8Low120 Ų120117.9 Ų117.953%0.52661%0.605SS.*THydrogen-bonded Turntrans-94.2-34.9-175.7-176.5-111.9000112.6T275 F276 E277F273-T275 VanDerWaalsContact C-N 3.33Å; F273-T275 PolarHBondContact O-N 3.02Å; F273-F276 PolarHBondContact O-N 3.15Å; F273-E277 HydrophobicContact CD1-CG 4Å; F273-E277 HydrophobicContact CD2-CG 4.44Å; F273-E277 HydrophobicContact CE1-CG 3.56Å; F273-E277 WeakPolarHBondContact CE1-OE1 3.35Å; F273-E277 VanDerWaalsContact CE1-OE2 3.32Å; F273-E277 WeakPolarHBondContact CE1-OE2 3.39Å; F273-E277 HydrophobicContact CE2-CG 4.02Å; F273-E277 HydrophobicContact CG-CG 4.43Å; F273-E277 HydrophobicContact CZ-CG 3.57Å; F273-E277 WeakPolarHBondContact CZ-OE1 3.49Å; F273-E277 PolarHBondContact O-N 3.42Å; F273-E277 VanDerWaalsContact O-N 3.13Å
274E57.6Low58.1Low108 Ų108112.8 Ų112.851%0.50559%0.591SS.*Hα-helixtrans-62.5-34.7-176.6-86.7159.7172.200113.4F276 Q278E274-F276 VanDerWaalsContact C-N 3.33Å; E274-F276 PolarHBondContact O-N 3.39Å; E274-Q278 VanDerWaalsContact O-CB 3.29Å; E274-Q278 WeakPolarHBondContact O-CB 3.43Å; E274-Q278 WeakPolarHBondContact O-CG 3.41Å; E274-Q278 PolarHBondContact O-N 3.03Å; E274-Q278 VanDerWaalsContact O-N 3.08Å
275T66.5Low59.7Low103 Ų103108 Ų10863%0.63258%0.58SS**Hα-helixtrans-69.5-32.4-179.4-400000112.4F273 Y279F273-T275 VanDerWaalsContact C-N 3.33Å; F273-T275 PolarHBondContact O-N 3.02Å; T275-Y279 PolarHBondContact O-N 2.97Å
276F62.3Low60.8Low72 Ų72109.2 Ų109.232%0.31658%0.581SS.*Hα-helixtrans-85-40.5-178.3-174-101000112.2F273 E274 Q278 Y279 I280F273-F276 PolarHBondContact O-N 3.15Å; E274-F276 VanDerWaalsContact C-N 3.33Å; E274-F276 PolarHBondContact O-N 3.39Å; F276-Q278 VanDerWaalsContact C-N 3.27Å; F276-Q278 PolarHBondContact O-N 3.15Å; F276-Y279 PolarHBondContact O-N 3.43Å; F276-Y279 VanDerWaalsContact O-N 3.13Å; F276-I280 HydrophobicContact CD1-CD1 4.39Å; F276-I280 HydrophobicContact CD1-CG1 4.05Å; F276-I280 HydrophobicContact CE1-CD1 3.54Å; F276-I280 HydrophobicContact CE1-CG1 3.67Å; F276-I280 HydrophobicContact CE2-CG1 4.45Å; F276-I280 HydrophobicContact CZ-CD1 3.65Å; F276-I280 HydrophobicContact CZ-CG1 3.9Å; F276-I280 WeakPolarHBondContact O-CG1 3.31Å; F276-I280 PolarHBondContact O-N 3.36Å
277E67.2Low61.5Low92 Ų92110.6 Ų110.643%0.4358%0.576SS.*Hα-helixtrans-58.5-41.7170.6-74.7-157.2142.600111.2F273 Y279 I280 L281F273-E277 HydrophobicContact CD1-CG 4Å; F273-E277 HydrophobicContact CD2-CG 4.44Å; F273-E277 HydrophobicContact CE1-CG 3.56Å; F273-E277 WeakPolarHBondContact CE1-OE1 3.35Å; F273-E277 VanDerWaalsContact CE1-OE2 3.32Å; F273-E277 WeakPolarHBondContact CE1-OE2 3.39Å; F273-E277 HydrophobicContact CE2-CG 4.02Å; F273-E277 HydrophobicContact CG-CG 4.43Å; F273-E277 HydrophobicContact CZ-CG 3.57Å; F273-E277 WeakPolarHBondContact CZ-OE1 3.49Å; F273-E277 PolarHBondContact O-N 3.42Å; F273-E277 VanDerWaalsContact O-N 3.13Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; E277-Y279 PolarHBondContact O-N 3.24Å; E277-I280 PolarHBondContact O-N 3.22Å; E277-L281 VanDerWaalsContact O-CB 3.29Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 WeakPolarHBondContact O-CG 3.42Å; E277-L281 PolarHBondContact O-N 3.3Å
278Q70.5Confident62.3Low130 Ų130108.9 Ų108.961%0.60758%0.578SS**Hα-helixtrans-62.8-37.6174.5-76175.81.400112.8E274 F276 S282E274-Q278 VanDerWaalsContact O-CB 3.29Å; E274-Q278 WeakPolarHBondContact O-CB 3.43Å; E274-Q278 WeakPolarHBondContact O-CG 3.41Å; E274-Q278 PolarHBondContact O-N 3.03Å; E274-Q278 VanDerWaalsContact O-N 3.08Å; F276-Q278 VanDerWaalsContact C-N 3.27Å; F276-Q278 PolarHBondContact O-N 3.15Å; Q278-S282 WeakPolarHBondContact O-CB 3.36Å; Q278-S282 PolarHBondContact O-N 3.12Å
279Y75.4Confident62.7Low122 Ų122115.4 Ų115.448%0.47860%0.596SS.*Hα-helixtrans-67.1-42.2175.3176.6-102.1000112.3T275 F276 E277 S282 R283T275-Y279 PolarHBondContact O-N 2.97Å; F276-Y279 PolarHBondContact O-N 3.43Å; F276-Y279 VanDerWaalsContact O-N 3.13Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; E277-Y279 PolarHBondContact O-N 3.24Å; Y279-S282 PolarHBondContact O-N 3.22Å; Y279-S282 PolarHBondContact O-OG 2.9Å; Y279-R283 WeakPolarHBondContact O-CB 3.34Å; Y279-R283 PolarHBondContact O-N 3.29Å; Y279-R283 PolarHBondContact OH-NH1 3.17Å
280I68.4Low63.6Low41 Ų41114 Ų11421%0.2159%0.587CS.*Hα-helixtrans-66.1-46.3177-64.1-121.1000110.4I120 F276 E277 S282 R283 M284I120-I280 HydrophobicContact CG2-CD1 3.92Å; F276-I280 HydrophobicContact CD1-CD1 4.39Å; F276-I280 HydrophobicContact CD1-CG1 4.05Å; F276-I280 HydrophobicContact CE1-CD1 3.54Å; F276-I280 HydrophobicContact CE1-CG1 3.67Å; F276-I280 HydrophobicContact CE2-CG1 4.45Å; F276-I280 HydrophobicContact CZ-CD1 3.65Å; F276-I280 HydrophobicContact CZ-CG1 3.9Å; F276-I280 WeakPolarHBondContact O-CG1 3.31Å; F276-I280 PolarHBondContact O-N 3.36Å; E277-I280 PolarHBondContact O-N 3.22Å; I280-S282 VanDerWaalsContact C-N 3.34Å; I280-S282 PolarHBondContact O-N 3.04Å; I280-R283 PolarHBondContact O-N 2.85Å; I280-M284 HydrophobicContact CG2-CE 4.11Å; I280-M284 HydrophobicContact CG2-CG 4.44Å; I280-M284 HydrophobicContact CG2-SD 4.27Å; I280-M284 WeakPolarHBondContact O-CB 3.5Å; I280-M284 WeakPolarHBondContact O-CG 3.37Å; I280-M284 PolarHBondContact O-N 3.45Å
281L76.3Confident64.3Low112 Ų112112.1 Ų112.159%0.58658%0.583SS**Hα-helixtrans-62.8-39.8178.1-71.5170.4000111.7E277 M284 A285E277-L281 VanDerWaalsContact O-CB 3.29Å; E277-L281 WeakPolarHBondContact O-CB 3.43Å; E277-L281 WeakPolarHBondContact O-CG 3.42Å; E277-L281 PolarHBondContact O-N 3.3Å; L281-M284 PolarHBondContact O-N 3.31Å; L281-A285 VanDerWaalsContact O-CB 3.32Å; L281-A285 WeakPolarHBondContact O-CB 3.44Å; L281-A285 PolarHBondContact O-N 3.01Å
282S75.7Confident64.9Low60 Ų60113.4 Ų113.442%0.4258%0.581SS.*Hα-helixtrans-67.4-39176.488.30000112Q278 Y279 I280 A285 N286Q278-S282 WeakPolarHBondContact O-CB 3.36Å; Q278-S282 PolarHBondContact O-N 3.12Å; Y279-S282 PolarHBondContact O-N 3.22Å; Y279-S282 PolarHBondContact O-OG 2.9Å; I280-S282 VanDerWaalsContact C-N 3.34Å; I280-S282 PolarHBondContact O-N 3.04Å; S282-A285 PolarHBondContact O-N 3.11Å; S282-N286 PolarHBondContact O-N 3.49Å; S282-N286 PolarHBondContact O-ND2 3.09Å
283R74.4Confident65.4Low140 Ų140111.4 Ų111.453%0.52857%0.569SS.*Hα-helixtrans-69.1-35.6177.3-163.1149.4-175.6135.42.5111.7Y279 I280 F287Y279-R283 WeakPolarHBondContact O-CB 3.34Å; Y279-R283 PolarHBondContact O-N 3.29Å; Y279-R283 PolarHBondContact OH-NH1 3.17Å; I280-R283 PolarHBondContact O-N 2.85Å; R283-F287 WeakPolarHBondContact O-CD2 3.09Å
284M69.7Low66.3Low106 Ų106110.9 Ų110.952%0.52257%0.572SS.*Hα-helixtrans-71.5-37.2174.1-72.8-168172.800112.9I120 I280 L281 N286 F287I120-M284 HydrophobicContact CD1-CE 3.77Å; I280-M284 HydrophobicContact CG2-CE 4.11Å; I280-M284 HydrophobicContact CG2-CG 4.44Å; I280-M284 HydrophobicContact CG2-SD 4.27Å; I280-M284 WeakPolarHBondContact O-CB 3.5Å; I280-M284 WeakPolarHBondContact O-CG 3.37Å; I280-M284 PolarHBondContact O-N 3.45Å; L281-M284 PolarHBondContact O-N 3.31Å; M284-N286 VanDerWaalsContact C-N 3.25Å; M284-N286 PolarHBondContact O-N 2.96Å; M284-F287 PolarHBondContact O-N 3.37Å
285A69.5Low66.9Low70 Ų70111.1 Ų111.158%0.57958%0.576SS**Hα-helixtrans-64.3-29178.600000113.1L281 S282L281-A285 VanDerWaalsContact O-CB 3.32Å; L281-A285 WeakPolarHBondContact O-CB 3.44Å; L281-A285 PolarHBondContact O-N 3.01Å; S282-A285 PolarHBondContact O-N 3.11Å
286N65.8Low67Low131 Ų131111.6 Ų111.670%0.70157%0.572SS**G310 helixtrans-84-4.3-179.8-72.2-21.3000114.5S282 M284 G288S282-N286 PolarHBondContact O-N 3.49Å; S282-N286 PolarHBondContact O-ND2 3.09Å; M284-N286 VanDerWaalsContact C-N 3.25Å; M284-N286 PolarHBondContact O-N 2.96Å; N286-G288 VanDerWaalsContact C-N 3.31Å; N286-G288 PolarHBondContact O-N 3.13Å
287F58.1Low67.3Low162 Ų162114.7 Ų114.771%0.71159%0.592SS**G310 helixtrans-89.211.7-179.6-103.4-86.2000114.1R283 M284R283-F287 WeakPolarHBondContact O-CD2 3.09Å; M284-F287 PolarHBondContact O-N 3.37Å
288G57.5Low67.3Low72 Ų72116.6 Ų116.674%0.74261%0.606SS**G310 helixtrans-132.714.5-173.500000116.5N286N286-G288 VanDerWaalsContact C-N 3.31Å; N286-G288 PolarHBondContact O-N 3.13Å
289Q46.8Very low67Low253 Ų253115.4 Ų115.4100%1.18261%0.605SS**  trans-110.80169.6-66.1-150.619.700111.8

Retrieved 289 of 289 residues in 511.8 ms (Link to these results)

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