A0A087YE69_POEFO Loading...

FERM domain-containing protein 6

AlphaFold DB , UniProt , Accession A0A087YE69, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 607 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
1M35.5Very low41.7Very low243 Ų243151 Ų151100%1.19774%0.737SS**  0148.10-73.5170.1174.600109.1
2N36.8Very low42.7Very low148 Ų148147.7 Ų147.779%0.79172%0.721SS**  trans-59.6135.4-153.7-58.4-19.6000116.6L4N2-L4 HydrophobicContact CB-CG 4.46Å
3R41.4Very low44.1Very low252 Ų252142.4 Ų142.495%0.95169%0.694SS**  trans-79.3116.1153.2-72.9-177.4175.7-173.3-1108.1
4L39.2Very low46.2Very low153 Ų153135.4 Ų135.480%0.80166%0.661SS**  trans-111118.1172.6-87166.3000111.7N2N2-L4 HydrophobicContact CB-CG 4.46Å
5S38.6Very low48.4Very low69 Ų69132.5 Ų132.548%0.48364%0.64SS.*  trans43.195153.7-162.40000120H7S5-H7 PolarHBondContact OG-N 3.24Å
6F40.6Very low50.4Low187 Ų187124.6 Ų124.682%0.8260%0.602SS**SBendtrans-82.16.4149.7-86.6-87.5000113.1
7H41.4Very low52.4Low157 Ų157119.4 Ų119.473%0.72758%0.581SS**Hα-helixtrans-77.3-31.5-177.7-94.252000113.3S5 N9 K10 T11S5-H7 PolarHBondContact OG-N 3.24Å; H7-N9 VanDerWaalsContact C-N 3.33Å; H7-N9 PolarHBondContact O-N 3.28Å; H7-K10 PolarHBondContact O-N 3.33Å; H7-T11 PolarHBondContact O-OG1 3.38Å
8N39Very low54.4Low111 Ų111112.8 Ų112.859%0.59455%0.549SS*.Hα-helixtrans-65-30-175.4-85.212000114.5T11 M12N8-T11 WeakPolarHBondContact CA-OG1 3.32Å; N8-T11 PolarHBondContact O-OG1 3.41Å; N8-M12 PolarHBondContact O-N 2.85Å
9N44.5Very low56.5Low107 Ų107107.4 Ų107.457%0.57252%0.524SS*.Hα-helixtrans-70.5-39-178.6-71.4-6.8000111.4H7 T11 M12 Q13H7-N9 VanDerWaalsContact C-N 3.33Å; H7-N9 PolarHBondContact O-N 3.28Å; N9-T11 PolarHBondContact O-N 3.37Å; N9-M12 PolarHBondContact O-N 3.37Å; N9-Q13 VanDerWaalsContact O-CG 3.25Å; N9-Q13 WeakPolarHBondContact O-CG 3.39Å; N9-Q13 PolarHBondContact O-N 3.31Å
10K50.2Low58.5Low149 Ų149102.1 Ų102.165%0.64850%0.497SS*.Hα-helixtrans-69.4-33.3-179.8-161.1169.5-173.8173.20112.4H7 Q13 D14H7-K10 PolarHBondContact O-N 3.33Å; K10-Q13 PolarHBondContact O-N 3.47Å; K10-D14 PolarHBondContact O-N 3.22Å
11T51.3Low60.3Low85 Ų85100.5 Ų100.552%0.52149%0.488SS..Hα-helixtrans-70.1-30.5175.737.50000114H7 N8 N9 R15H7-T11 PolarHBondContact O-OG1 3.38Å; N8-T11 WeakPolarHBondContact CA-OG1 3.32Å; N8-T11 PolarHBondContact O-OG1 3.41Å; N9-T11 PolarHBondContact O-N 3.37Å; T11-R15 WeakPolarHBondContact O-CG 3.25Å
12M53.3Low63.2Low111 Ų11189.2 Ų89.255%0.54743%0.433SS..Hα-helixtrans-74.8-33.5172.6-73.8-63.7-175.500112.1N8 N9 D14 R15N8-M12 PolarHBondContact O-N 2.85Å; N9-M12 PolarHBondContact O-N 3.37Å; M12-D14 VanDerWaalsContact C-N 3.33Å; M12-D14 PolarHBondContact O-N 3.2Å; M12-R15 PolarHBondContact O-N 3.37Å
13Q61.8Low66.1Low79 Ų7982.4 Ų82.437%0.36940%0.396SS..Hα-helixtrans-67.9-25.9-178.9-78.3-177.4-2700115N9 K10 R15 R16 A88N9-Q13 VanDerWaalsContact O-CG 3.25Å; N9-Q13 WeakPolarHBondContact O-CG 3.39Å; N9-Q13 PolarHBondContact O-N 3.31Å; K10-Q13 PolarHBondContact O-N 3.47Å; Q13-R15 VanDerWaalsContact C-N 3.34Å; Q13-R16 PolarHBondContact O-NH1 2.74Å; Q13-A88 HydrophobicContact CB-CB 3.6Å; Q13-A88 HydrophobicContact CG-CB 3.83Å; Q13-A88 VanDerWaalsContact CG-O 3.32Å; Q13-A88 WeakPolarHBondContact CG-O 3.46Å; Q13-A88 PolarHBondContact NE2-O 3.39Å
14D73.4Confident68.6Low44 Ų4471.4 Ų71.424%0.23536%0.357CS..THydrogen-bonded Turntrans-87.44.7176.4-82.4-4.3000113.1K10 M12 N33 V34 K35K10-D14 PolarHBondContact O-N 3.22Å; M12-D14 VanDerWaalsContact C-N 3.33Å; M12-D14 PolarHBondContact O-N 3.2Å; D14-N33 CarbonylContact O-C 3.55Å; D14-N33 WeakPolarHBondContact O-CA 3.37Å; D14-V34 WeakPolarHBondContact O-CG2 3.44Å; D14-V34 PolarHBondContact O-N 2.97Å; D14-K35 IonicContact OD2-NZ 2.96Å
15R79.4Confident71.2Confident92 Ų9269.2 Ų69.235%0.34735%0.346SS..EExtended strand (participates in β ladder)trans-91.7144.2179.5-63.1-177.578.7-167.92.2112.6T11 M12 Q13 V31 V32T11-R15 WeakPolarHBondContact O-CG 3.25Å; M12-R15 PolarHBondContact O-N 3.37Å; Q13-R15 VanDerWaalsContact C-N 3.34Å; R15-V31 HydrophobicContact CB-CG1 3.88Å; R15-V31 HydrophobicContact CG-CG1 4.49Å; R15-V32 CarbonylContact C-O 3.5Å; R15-V32 VanDerWaalsContact CA-O 3.28Å; R15-V32 WeakPolarHBondContact CA-O 3.48Å
16R80.2Confident73.9Confident7 Ų770.3 Ų70.33%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-142144.4177.8-59.9-71.1-179.4-84.64110.6Q13 V31 V32 V34 W84 R86 F95Q13-R16 PolarHBondContact O-NH1 2.74Å; R16-V31 CarbonylContact O-C 3.57Å; R16-V31 WeakPolarHBondContact O-CA 3.38Å; R16-V32 PolarHBondContact N-O 3.25Å; R16-V32 PolarHBondContact O-N 2.95Å; R16-V34 HydrophobicContact CG-CG2 3.67Å; R16-W84 HydrophobicContact CB-CD2 4.15Å; R16-W84 VanDerWaalsContact CB-CE2 3.48Å; R16-W84 HydrophobicContact CB-CE3 4.46Å; R16-W84 HydrophobicContact CB-CH2 3.69Å; R16-W84 HydrophobicContact CB-CZ2 3.28Å; R16-W84 HydrophobicContact CB-CZ3 4.22Å; R16-W84 HydrophobicContact CG-CD2 4.12Å; R16-W84 HydrophobicContact CG-CG 4.5Å; R16-W84 HydrophobicContact CG-CZ2 4.06Å; R16-W84 PolarHBondContact NE-O 2.91Å; R16-R86 PolarHBondContact NH2-O 3.25Å; R16-R86 VanDerWaalsContact NH2-O 3.07Å; R16-F95 VanDerWaalsContact CZ-CZ 3.47Å
17C83.3Confident76.5Confident36 Ų3664.3 Ų64.324%0.24333%0.325CS..EExtended strand (participates in β ladder)trans-94.8114.3179.2-170.20000111.3V31 W84 I92 P98C17-V31 HydrophobicContact CB-CG2 4.43Å; C17-W84 WeakPolarHBondContact O-CH2 3.08Å; C17-W84 WeakPolarHBondContact O-CZ3 3.26Å; C17-I92 HydrophobicContact CB-CG2 4.42Å; C17-P98 WeakPolarHBondContact O-CB 3.43Å
18V89.7Confident79.1Confident0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-95.7137.2176.3175.30000109V20 N29 I30 V32 L41 W84 I101V18-V20 HydrophobicContact CG1-CG2 3.94Å; V18-N29 CarbonylContact O-C 3.54Å; V18-N29 WeakPolarHBondContact O-CA 3.18Å; V18-I30 PolarHBondContact N-O 3.27Å; V18-I30 PolarHBondContact O-N 2.9Å; V18-V32 HydrophobicContact CG2-CG2 3.67Å; V18-L41 HydrophobicContact CG1-CD2 4.14Å; V18-W84 HydrophobicContact CB-CH2 4.43Å; V18-W84 HydrophobicContact CG2-CH2 3.6Å; V18-W84 HydrophobicContact CG2-CZ2 3.52Å; V18-I101 HydrophobicContact CG1-CB 4.35Å; V18-I101 HydrophobicContact CG1-CD1 3.49Å; V18-I101 VanDerWaalsContact CG1-CD1 3.49Å; V18-I101 HydrophobicContact CG1-CG1 3.86Å
19C93.3Very high81.6Confident11 Ų1158.3 Ų58.37%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-103.9115170.2179.90000109.2P98 M99 I101C19-P98 HydrophobicContact CB-CB 4.11Å; C19-P98 HydrophobicContact CB-CG 4.1Å; C19-M99 PolarHBondContact N-O 3.41Å; C19-I101 PolarHBondContact O-N 3.07Å
20V96.4Very high83.9Confident0 Ų053.5 Ų53.50%027%0.272CS..EExtended strand (participates in β ladder)trans-100.6111.1176.9-173.80000108.9V18 L22 T27 L28 I30 V45 L59 I101 F103V18-V20 HydrophobicContact CG1-CG2 3.94Å; V20-L22 HydrophobicContact CG1-CD2 4.37Å; V20-T27 CarbonylContact O-C 3.51Å; V20-T27 WeakPolarHBondContact O-CA 3.37Å; V20-L28 HydrophobicContact CB-CB 4.34Å; V20-L28 PolarHBondContact N-O 3.14Å; V20-L28 PolarHBondContact O-N 3.09Å; V20-I30 HydrophobicContact CG2-CD1 4.23Å; V20-V45 HydrophobicContact CB-CG2 4.47Å; V20-V45 HydrophobicContact CG1-CG2 4.16Å; V20-V45 HydrophobicContact CG2-CG2 4.05Å; V20-L59 HydrophobicContact CG1-CD2 4.45Å; V20-I101 CarbonylContact C-O 3.59Å; V20-I101 VanDerWaalsContact CA-O 3.32Å; V20-I101 WeakPolarHBondContact CA-O 3.32Å; V20-I101 HydrophobicContact CG2-CB 4.41Å; V20-F103 HydrophobicContact CG1-CB 3.79Å
21F96.8Very high85.7Confident70 Ų7048.9 Ų48.931%0.30726%0.256SS..EExtended strand (participates in β ladder)trans-77.3132.5171.8-78.5-99.4000110.5T27 I100 I101 F103F21-T27 HydrophobicContact CD1-CG2 3.61Å; F21-T27 HydrophobicContact CD2-CG2 4.24Å; F21-T27 HydrophobicContact CE1-CG2 3.61Å; F21-T27 HydrophobicContact CE2-CG2 4.25Å; F21-T27 HydrophobicContact CG-CG2 3.95Å; F21-T27 HydrophobicContact CZ-CG2 3.94Å; F21-I100 HydrophobicContact CD2-CG2 3.75Å; F21-I100 HydrophobicContact CE2-CD1 4.4Å; F21-I100 HydrophobicContact CE2-CG1 4.21Å; F21-I100 HydrophobicContact CE2-CG2 3.8Å; F21-I101 PolarHBondContact N-O 2.78Å; F21-F103 PolarHBondContact O-N 3.31Å
22L97.5Very high87.5Confident5 Ų545.1 Ų45.13%0.02623%0.233CC..  trans-97.2160.9-178.9-59.4-173000112.3V20 N24 D25 D26 L28 L49 F103 Y123 K130V20-L22 HydrophobicContact CG1-CD2 4.37Å; L22-N24 VanDerWaalsContact CB-OD1 3.25Å; L22-N24 WeakPolarHBondContact CB-OD1 3.5Å; L22-N24 PolarHBondContact O-N 2.99Å; L22-N24 VanDerWaalsContact O-N 3.16Å; L22-D25 PolarHBondContact O-N 3.09Å; L22-D25 VanDerWaalsContact O-N 3.14Å; L22-D26 HydrophobicContact CB-CB 4.34Å; L22-D26 WeakPolarHBondContact CB-O 3.29Å; L22-D26 HydrophobicContact CD1-CB 3.96Å; L22-D26 HydrophobicContact CG-CB 4.43Å; L22-D26 PolarHBondContact N-O 3.17Å; L22-L28 HydrophobicContact CD1-CD1 4.31Å; L22-L28 HydrophobicContact CD1-CD2 4.34Å; L22-L28 HydrophobicContact CD1-CG 4.01Å; L22-L28 HydrophobicContact CD2-CD1 4.09Å; L22-L28 HydrophobicContact CD2-CG 4.24Å; L22-L28 HydrophobicContact CG-CG 4.3Å; L22-L49 HydrophobicContact CD1-CD2 3.79Å; L22-L49 HydrophobicContact CD2-CD1 4.08Å; L22-F103 HydrophobicContact CD2-CB 4.01Å; L22-F103 HydrophobicContact CD2-CD1 4.09Å; L22-F103 HydrophobicContact CD2-CG 4.36Å; L22-Y123 HydrophobicContact CB-CE1 4.35Å; L22-Y123 HydrophobicContact CD1-CE1 4.15Å; L22-K130 PolarHBondContact O-NZ 3.47Å
23P95.9Very high89.1Confident5 Ų542.3 Ų42.33%0.03222%0.22CC..THydrogen-bonded Turntrans-56.8-26.7176.1-29.337000114.9F103 Y123 W126 H127 K130P23-F103 WeakPolarHBondContact CD-O 3.18Å; P23-F103 HydrophobicContact CG-CD1 4.32Å; P23-Y123 HydrophobicContact CB-CD1 4.31Å; P23-Y123 VanDerWaalsContact CB-O 3.26Å; P23-Y123 WeakPolarHBondContact CB-O 3.17Å; P23-Y123 HydrophobicContact CG-CD1 4.13Å; P23-W126 HydrophobicContact CB-CB 3.81Å; P23-H127 HydrophobicContact CB-CB 4.03Å; P23-H127 HydrophobicContact CG-CB 4.33Å; P23-K130 VanDerWaalsContact O-CD 3.23Å; P23-K130 WeakPolarHBondContact O-CD 3.28Å; P23-K130 WeakPolarHBondContact O-CE 3.39Å; P23-K130 PolarHBondContact O-NZ 3.04Å
24N94.4Very high90.1Very high22 Ų2239.8 Ų39.812%0.11821%0.211CC..THydrogen-bonded Turntrans-95.317.3179.469.6-32.8000114.4L22 D26 W126L22-N24 VanDerWaalsContact CB-OD1 3.25Å; L22-N24 WeakPolarHBondContact CB-OD1 3.5Å; L22-N24 PolarHBondContact O-N 2.99Å; L22-N24 VanDerWaalsContact O-N 3.16Å; N24-D26 PolarHBondContact ND2-OD2 3Å; N24-D26 PolarHBondContact O-N 2.9Å; N24-W126 HydrophobicContact CB-CB 4.25Å; N24-W126 HydrophobicContact CB-CD2 3.71Å; N24-W126 HydrophobicContact CB-CE3 4.18Å; N24-W126 HydrophobicContact CB-CG 3.72Å
25D93.5Very high90.7Very high106 Ų10644.1 Ų44.157%0.56723%0.227SC*.SBendtrans71.5-3.9-179.3-66.5-56.8000116.6L22 K130L22-D25 PolarHBondContact O-N 3.09Å; L22-D25 VanDerWaalsContact O-N 3.14Å; D25-K130 WeakPolarHBondContact OD1-CE 3.32Å; D25-K130 IonicContact OD1-NZ 2.78Å; D25-K130 PolarHBondContact OD1-NZ 3.13Å; D25-K130 WeakPolarHBondContact OD2-CE 3.48Å; D25-K130 IonicContact OD2-NZ 2.71Å; D25-K130 PolarHBondContact OD2-NZ 2.87Å
26D95.8Very high91.3Very high92 Ų9240.7 Ų40.749%0.49222%0.216SC..  trans-63.4161.5164.8-73.4-28.2000112.3L22 N24L22-D26 HydrophobicContact CB-CB 4.34Å; L22-D26 WeakPolarHBondContact CB-O 3.29Å; L22-D26 HydrophobicContact CD1-CB 3.96Å; L22-D26 HydrophobicContact CG-CB 4.43Å; L22-D26 PolarHBondContact N-O 3.17Å; N24-D26 PolarHBondContact ND2-OD2 3Å; N24-D26 PolarHBondContact O-N 2.9Å
27T95.4Very high92Very high62 Ų6242.6 Ų42.638%0.3823%0.227SC..EExtended strand (participates in β ladder)trans-130.8138.7176.5570000112.1V20 F21V20-T27 CarbonylContact O-C 3.51Å; V20-T27 WeakPolarHBondContact O-CA 3.37Å; F21-T27 HydrophobicContact CD1-CG2 3.61Å; F21-T27 HydrophobicContact CD2-CG2 4.24Å; F21-T27 HydrophobicContact CE1-CG2 3.61Å; F21-T27 HydrophobicContact CE2-CG2 4.25Å; F21-T27 HydrophobicContact CG-CG2 3.95Å; F21-T27 HydrophobicContact CZ-CG2 3.94Å
28L95.1Very high92.5Very high37 Ų3740.9 Ų40.919%0.19422%0.215CC..EExtended strand (participates in β ladder)trans-107.1122170.5-57178.8000109.7V20 L22 I30 V45 L48 L49V20-L28 HydrophobicContact CB-CB 4.34Å; V20-L28 PolarHBondContact N-O 3.14Å; V20-L28 PolarHBondContact O-N 3.09Å; L22-L28 HydrophobicContact CD1-CD1 4.31Å; L22-L28 HydrophobicContact CD1-CD2 4.34Å; L22-L28 HydrophobicContact CD1-CG 4.01Å; L22-L28 HydrophobicContact CD2-CD1 4.09Å; L22-L28 HydrophobicContact CD2-CG 4.24Å; L22-L28 HydrophobicContact CG-CG 4.3Å; L28-I30 HydrophobicContact CB-CD1 4.22Å; L28-I30 HydrophobicContact CB-CG1 4.2Å; L28-V45 HydrophobicContact CD1-CG1 4.25Å; L28-L48 HydrophobicContact CD1-CB 4.36Å; L28-L48 HydrophobicContact CD1-CD1 4.41Å; L28-L49 HydrophobicContact CD1-CD2 4.01Å; L28-L49 HydrophobicContact CD1-CG 4.24Å
29N92.9Very high92.7Very high105 Ų10545.7 Ų45.756%0.56124%0.238SC*.EExtended strand (participates in β ladder)trans-96.8110.8174.3-70.6-69.1000109.7V18V18-N29 CarbonylContact O-C 3.54Å; V18-N29 WeakPolarHBondContact O-CA 3.18Å
30I91.6Very high92.8Very high6 Ų650 Ų503%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-120.3126.8-170.1-57.4179000109.9V18 V20 L28 V32 L41 Q44 V45 L48V18-I30 PolarHBondContact N-O 3.27Å; V18-I30 PolarHBondContact O-N 2.9Å; V20-I30 HydrophobicContact CG2-CD1 4.23Å; L28-I30 HydrophobicContact CB-CD1 4.22Å; L28-I30 HydrophobicContact CB-CG1 4.2Å; I30-V32 HydrophobicContact CG2-CG1 3.91Å; I30-L41 HydrophobicContact CB-CD1 4.25Å; I30-L41 HydrophobicContact CD1-CD1 3.87Å; I30-L41 HydrophobicContact CG2-CD1 3.93Å; I30-Q44 VanDerWaalsContact CG2-CD 3.44Å; I30-Q44 HydrophobicContact CG2-CG 4.26Å; I30-V45 HydrophobicContact CD1-CG2 3.59Å; I30-L48 HydrophobicContact CD1-CD1 3.8Å; I30-L48 HydrophobicContact CG1-CD1 4.08Å
31V89Confident92.8Very high51 Ų5150 Ų5031%0.30926%0.257SS..EExtended strand (participates in β ladder)trans-96.298.9-179.9-173.40000110.9R15 R16 C17R15-V31 HydrophobicContact CB-CG1 3.88Å; R15-V31 HydrophobicContact CG-CG1 4.49Å; R16-V31 CarbonylContact O-C 3.57Å; R16-V31 WeakPolarHBondContact O-CA 3.38Å; C17-V31 HydrophobicContact CB-CG2 4.43Å
32V89.1Confident92.8Very high6 Ų647.4 Ų47.44%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-98.4170.2-177.5-59.60000112.7R15 R16 V18 I30 T36 L41 L76R15-V32 CarbonylContact C-O 3.5Å; R15-V32 VanDerWaalsContact CA-O 3.28Å; R15-V32 WeakPolarHBondContact CA-O 3.48Å; R16-V32 PolarHBondContact N-O 3.25Å; R16-V32 PolarHBondContact O-N 2.95Å; V18-V32 HydrophobicContact CG2-CG2 3.67Å; I30-V32 HydrophobicContact CG2-CG1 3.91Å; V32-T36 HydrophobicContact CB-CG2 4.13Å; V32-T36 HydrophobicContact CG1-CG2 4.25Å; V32-L41 HydrophobicContact CG1-CD1 3.93Å; V32-L76 HydrophobicContact CB-CD1 4.3Å; V32-L76 HydrophobicContact CG1-CD1 4.33Å; V32-L76 HydrophobicContact CG2-CD1 3.9Å
33N87.4Confident92.7Very high52 Ų5250.9 Ų50.928%0.27827%0.267SS..EExtended strand (participates in β ladder)trans-86.9150167-168.5-72.9000110.2D14 K35 T36D14-N33 CarbonylContact O-C 3.55Å; D14-N33 WeakPolarHBondContact O-CA 3.37Å; N33-K35 PolarHBondContact O-N 3.24Å; N33-K35 VanDerWaalsContact O-N 3.09Å; N33-K35 WeakPolarHBondContact OD1-CB 2.71Å; N33-K35 PolarHBondContact OD1-N 2.96Å; N33-T36 WeakPolarHBondContact CB-OG1 3.4Å; N33-T36 PolarHBondContact N-OG1 3.41Å; N33-T36 VanDerWaalsContact N-OG1 3.14Å; N33-T36 WeakPolarHBondContact O-CB 3.23Å; N33-T36 PolarHBondContact O-N 2.67Å; N33-T36 PolarHBondContact O-OG1 2.84Å
34V81.7Confident92.7Very high27 Ų2754.3 Ų54.316%0.16428%0.283CS..THydrogen-bonded Turntrans-56.4-26.1173.4174.40000112.7D14 R16D14-V34 WeakPolarHBondContact O-CG2 3.44Å; D14-V34 PolarHBondContact O-N 2.97Å; R16-V34 HydrophobicContact CG-CG2 3.67Å
35K86.2Confident92.8Very high135 Ų13553.3 Ų53.359%0.58728%0.277SS*.THydrogen-bonded Turntrans-86.5-9.6178.6-61.4173.1-171.3162.40114.3D14 N33D14-K35 IonicContact OD2-NZ 2.96Å; N33-K35 PolarHBondContact O-N 3.24Å; N33-K35 VanDerWaalsContact O-N 3.09Å; N33-K35 WeakPolarHBondContact OD1-CB 2.71Å; N33-K35 PolarHBondContact OD1-N 2.96Å
36T91.6Very high93Very high19 Ų1948.6 Ų48.612%0.11725%0.253CS..  trans-55.9138.2-176.5-70.10000111.7V32 N33 E40 L76V32-T36 HydrophobicContact CB-CG2 4.13Å; V32-T36 HydrophobicContact CG1-CG2 4.25Å; N33-T36 WeakPolarHBondContact CB-OG1 3.4Å; N33-T36 PolarHBondContact N-OG1 3.41Å; N33-T36 VanDerWaalsContact N-OG1 3.14Å; N33-T36 WeakPolarHBondContact O-CB 3.23Å; N33-T36 PolarHBondContact O-N 2.67Å; N33-T36 PolarHBondContact O-OG1 2.84Å; T36-E40 WeakPolarHBondContact CA-OE2 3.24Å; T36-E40 HydrophobicContact CG2-CB 3.88Å; T36-E40 WeakPolarHBondContact CG2-OE2 3.41Å; T36-L76 HydrophobicContact CG2-CD1 3.73Å; T36-L76 PolarHBondContact O-N 3.05Å
37L94.6Very high93Very high48 Ų4849.7 Ų49.725%0.25126%0.259SS..BIsolated β-bridgetrans-80.1154.5175.9-61.1179.9000111.2Q39 E40 L41 Q74 K75L37-Q39 PolarHBondContact O-N 3.14Å; L37-E40 HydrophobicContact CB-CG 4.09Å; L37-E40 PolarHBondContact N-OE2 2.92Å; L37-E40 PolarHBondContact O-N 2.85Å; L37-L41 PolarHBondContact O-N 2.91Å; L37-Q74 CarbonylContact C-O 3.57Å; L37-Q74 WeakPolarHBondContact CA-O 3.33Å; L37-K75 HydrophobicContact CD2-CG 3.78Å
38C94.3Very high93Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-61.7-34.1174.8-61.60000111.5L42 M70 E71 Q74 L76C38-L42 WeakPolarHBondContact O-CB 3.34Å; C38-L42 PolarHBondContact O-N 2.98Å; C38-M70 HydrophobicContact CB-CB 3.93Å; C38-E71 WeakPolarHBondContact CB-O 3.46Å; C38-Q74 PolarHBondContact N-O 2.84Å; C38-Q74 PolarHBondContact SG-O 3.33Å; C38-L76 HydrophobicContact CB-CD2 4.46Å
39Q95.1Very high93.1Very high100 Ų10050.8 Ų50.847%0.46726%0.262SS..Hα-helixtrans-60.8-46.9172.6-165.4174.28.600112.7L37 L41 L42 V43 L72L37-Q39 PolarHBondContact O-N 3.14Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 2.88Å; Q39-L42 PolarHBondContact O-N 3.06Å; Q39-L42 VanDerWaalsContact O-N 3.15Å; Q39-V43 WeakPolarHBondContact O-CG2 3.33Å; Q39-V43 PolarHBondContact O-N 3.26Å; Q39-L72 HydrophobicContact CB-CB 3.99Å; Q39-L72 WeakPolarHBondContact CB-O 3.16Å; Q39-L72 HydrophobicContact CG-CB 4.45Å; Q39-L72 PolarHBondContact N-O 3.33Å
40E95.6Very high93.2Very high103 Ų10355.7 Ų55.748%0.48127%0.272SS..Hα-helixtrans-61.1-40.9-179.3-67.9170.9161.900111.3T36 L37 Q44T36-E40 WeakPolarHBondContact CA-OE2 3.24Å; T36-E40 HydrophobicContact CG2-CB 3.88Å; T36-E40 WeakPolarHBondContact CG2-OE2 3.41Å; L37-E40 HydrophobicContact CB-CG 4.09Å; L37-E40 PolarHBondContact N-OE2 2.92Å; L37-E40 PolarHBondContact O-N 2.85Å; E40-Q44 WeakPolarHBondContact O-CB 3.42Å; E40-Q44 PolarHBondContact O-N 3.03Å
41L95.8Very high93.3Very high0 Ų055.9 Ų55.90%027%0.274CS..Hα-helixtrans-68.8-38.8174.7179.259.6000112.2V18 I30 V32 L37 Q39 Q44 V45 L59 L76 I101V18-L41 HydrophobicContact CG1-CD2 4.14Å; I30-L41 HydrophobicContact CB-CD1 4.25Å; I30-L41 HydrophobicContact CD1-CD1 3.87Å; I30-L41 HydrophobicContact CG2-CD1 3.93Å; V32-L41 HydrophobicContact CG1-CD1 3.93Å; L37-L41 PolarHBondContact O-N 2.91Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 2.88Å; L41-Q44 PolarHBondContact O-N 3.47Å; L41-V45 HydrophobicContact CD1-CG2 4.23Å; L41-V45 HydrophobicContact CG-CG2 4.5Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 3.25Å; L41-L59 HydrophobicContact CB-CD1 3.99Å; L41-L59 HydrophobicContact CD2-CD1 3.88Å; L41-L59 HydrophobicContact CG-CD1 3.76Å; L41-L76 HydrophobicContact CB-CD1 4.2Å; L41-L76 HydrophobicContact CB-CD2 4.32Å; L41-L76 HydrophobicContact CD2-CD1 3.91Å; L41-L76 HydrophobicContact CD2-CD2 3.68Å; L41-L76 HydrophobicContact CD2-CG 4.47Å; L41-I101 HydrophobicContact CD2-CD1 3.6Å
42L96.2Very high93.3Very high15 Ų1561.4 Ų61.48%0.07929%0.293CS..Hα-helixtrans-62.9-46.4177.2177.359.8000110.9C38 Q39 Q44 V45 C46 L59 L72 F103C38-L42 WeakPolarHBondContact O-CB 3.34Å; C38-L42 PolarHBondContact O-N 2.98Å; Q39-L42 PolarHBondContact O-N 3.06Å; Q39-L42 VanDerWaalsContact O-N 3.15Å; L42-Q44 VanDerWaalsContact C-N 3.35Å; L42-Q44 PolarHBondContact O-N 3.34Å; L42-V45 PolarHBondContact O-N 3.4Å; L42-C46 PolarHBondContact O-N 2.91Å; L42-C46 PolarHBondContact O-SG 3.21Å; L42-C46 VanDerWaalsContact O-SG 3.32Å; L42-L59 HydrophobicContact CB-CD1 4.03Å; L42-L59 HydrophobicContact CB-CG 4.22Å; L42-L59 HydrophobicContact CD1-CD2 4.35Å; L42-L59 HydrophobicContact CD1-CG 4.2Å; L42-L72 HydrophobicContact CB-CD2 4.47Å; L42-L72 HydrophobicContact CD2-CD1 4.21Å; L42-L72 HydrophobicContact CD2-CD2 3.7Å; L42-F103 HydrophobicContact CD1-CD2 4.11Å; L42-F103 HydrophobicContact CD1-CE2 3.76Å
43V95.7Very high93.3Very high77 Ų7761.7 Ų61.747%0.46730%0.295SS..Hα-helixtrans-57.2-48.8174172.30000110.4Q39 V45 C46 D47Q39-V43 WeakPolarHBondContact O-CG2 3.33Å; Q39-V43 PolarHBondContact O-N 3.26Å; V43-V45 VanDerWaalsContact C-N 3.31Å; V43-V45 PolarHBondContact O-N 3.22Å; V43-C46 PolarHBondContact O-N 3.15Å; V43-C46 VanDerWaalsContact O-N 3.11Å; V43-D47 WeakPolarHBondContact O-CB 3.5Å; V43-D47 PolarHBondContact O-N 3.36Å
44Q96.2Very high93.4Very high78 Ų7861.2 Ų61.236%0.36430%0.295SS..Hα-helixtrans-61.2-36.4178.7-172.217221.600113.3I30 E40 L41 L42 L48I30-Q44 VanDerWaalsContact CG2-CD 3.44Å; I30-Q44 HydrophobicContact CG2-CG 4.26Å; E40-Q44 WeakPolarHBondContact O-CB 3.42Å; E40-Q44 PolarHBondContact O-N 3.03Å; L41-Q44 PolarHBondContact O-N 3.47Å; L42-Q44 VanDerWaalsContact C-N 3.35Å; L42-Q44 PolarHBondContact O-N 3.34Å; Q44-L48 HydrophobicContact CG-CD1 4.39Å; Q44-L48 WeakPolarHBondContact O-CB 3.4Å; Q44-L48 WeakPolarHBondContact O-CD1 3.07Å; Q44-L48 VanDerWaalsContact O-CG 3.24Å; Q44-L48 WeakPolarHBondContact O-CG 3.47Å; Q44-L48 PolarHBondContact O-N 3.36Å; Q44-L48 VanDerWaalsContact O-N 3.17Å
45V97.1Very high93.8Very high0 Ų061.2 Ų61.20%029%0.293CS..Hα-helixtrans-65.5-48.6172.6168.70000110.2V20 L28 I30 L41 L42 V43 D47 L48 L49 L59 F103V20-V45 HydrophobicContact CB-CG2 4.47Å; V20-V45 HydrophobicContact CG1-CG2 4.16Å; V20-V45 HydrophobicContact CG2-CG2 4.05Å; L28-V45 HydrophobicContact CD1-CG1 4.25Å; I30-V45 HydrophobicContact CD1-CG2 3.59Å; L41-V45 HydrophobicContact CD1-CG2 4.23Å; L41-V45 HydrophobicContact CG-CG2 4.5Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 3.25Å; L42-V45 PolarHBondContact O-N 3.4Å; V43-V45 VanDerWaalsContact C-N 3.31Å; V43-V45 PolarHBondContact O-N 3.22Å; V45-D47 PolarHBondContact O-N 2.93Å; V45-L48 PolarHBondContact O-N 3.22Å; V45-L49 HydrophobicContact CG1-CD1 3.96Å; V45-L49 HydrophobicContact CG1-CG 4.41Å; V45-L49 WeakPolarHBondContact O-CB 3.49Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.39Å; V45-L49 PolarHBondContact O-N 2.87Å; V45-L59 HydrophobicContact CG2-CD2 4.49Å; V45-F103 HydrophobicContact CG1-CB 4.47Å; V45-F103 HydrophobicContact CG1-CD2 3.78Å; V45-F103 HydrophobicContact CG1-CE2 4.09Å; V45-F103 HydrophobicContact CG1-CG 4.02Å
46C96.3Very high94.2Very high7 Ų754.8 Ų54.85%0.04727%0.265CS..Hα-helixtrans-63.1-39-180-66.80000112.8L42 V43 L49 R50 L51 C54L42-C46 PolarHBondContact O-N 2.91Å; L42-C46 PolarHBondContact O-SG 3.21Å; L42-C46 VanDerWaalsContact O-SG 3.32Å; V43-C46 PolarHBondContact O-N 3.15Å; V43-C46 VanDerWaalsContact O-N 3.11Å; C46-L49 CarbonylContact O-C 3.57Å; C46-L49 PolarHBondContact O-N 3.08Å; C46-R50 WeakPolarHBondContact O-CA 3.28Å; C46-R50 PolarHBondContact O-N 3.49Å; C46-L51 PolarHBondContact O-N 2.86Å; C46-C54 HydrophobicContact CB-CB 4.14Å; C46-C54 WeakPolarHBondContact SG-CB 3.47Å
47D96Very high94.4Very high116 Ų11654 Ų5462%0.6226%0.26SS*.Hα-helixtrans-62-46.3174.7-72.4-23.7000111.9V43 V45 L49 R50V43-D47 WeakPolarHBondContact O-CB 3.5Å; V43-D47 PolarHBondContact O-N 3.36Å; V45-D47 PolarHBondContact O-N 2.93Å; D47-L49 VanDerWaalsContact C-N 3.28Å; D47-L49 PolarHBondContact O-N 2.57Å; D47-R50 PolarHBondContact O-N 3.32Å; D47-R50 VanDerWaalsContact O-N 3.12Å
48L96.6Very high94.4Very high102 Ų10251.8 Ų51.853%0.53425%0.248SC..Hα-helixtrans-62.3-36.6176.5-74.4170.2000112L28 I30 Q44 V45L28-L48 HydrophobicContact CD1-CB 4.36Å; L28-L48 HydrophobicContact CD1-CD1 4.41Å; I30-L48 HydrophobicContact CD1-CD1 3.8Å; I30-L48 HydrophobicContact CG1-CD1 4.08Å; Q44-L48 HydrophobicContact CG-CD1 4.39Å; Q44-L48 WeakPolarHBondContact O-CB 3.4Å; Q44-L48 WeakPolarHBondContact O-CD1 3.07Å; Q44-L48 VanDerWaalsContact O-CG 3.24Å; Q44-L48 WeakPolarHBondContact O-CG 3.47Å; Q44-L48 PolarHBondContact O-N 3.36Å; Q44-L48 VanDerWaalsContact O-N 3.17Å; V45-L48 PolarHBondContact O-N 3.22Å
49L96Very high94.5Very high20 Ų2051.8 Ų51.811%0.10525%0.248CC..Hα-helixtrans-81.4-11.2176.1-63.2-175.2000113.7L22 L28 V45 C46 D47 L51 F103 V119 Y123L22-L49 HydrophobicContact CD1-CD2 3.79Å; L22-L49 HydrophobicContact CD2-CD1 4.08Å; L28-L49 HydrophobicContact CD1-CD2 4.01Å; L28-L49 HydrophobicContact CD1-CG 4.24Å; V45-L49 HydrophobicContact CG1-CD1 3.96Å; V45-L49 HydrophobicContact CG1-CG 4.41Å; V45-L49 WeakPolarHBondContact O-CB 3.49Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.39Å; V45-L49 PolarHBondContact O-N 2.87Å; C46-L49 CarbonylContact O-C 3.57Å; C46-L49 PolarHBondContact O-N 3.08Å; D47-L49 VanDerWaalsContact C-N 3.28Å; D47-L49 PolarHBondContact O-N 2.57Å; L49-L51 HydrophobicContact CB-CB 4.04Å; L49-L51 PolarHBondContact O-N 2.84Å; L49-F103 HydrophobicContact CD1-CD1 4.08Å; L49-F103 HydrophobicContact CD1-CE1 3.79Å; L49-F103 HydrophobicContact CD1-CZ 4.33Å; L49-V119 WeakPolarHBondContact O-CG1 3.5Å; L49-Y123 HydrophobicContact CB-CE2 4.27Å; L49-Y123 HydrophobicContact CD1-CD2 4.33Å; L49-Y123 HydrophobicContact CD1-CE2 3.99Å; L49-Y123 HydrophobicContact CD2-CE2 4.09Å; L49-Y123 WeakPolarHBondContact CD2-OH 3.4Å; L49-Y123 HydrophobicContact CG-CE2 4.34Å
50R95.6Very high94.5Very high208 Ų20847 Ų4779%0.78523%0.226SC*.THydrogen-bonded Turntrans56.431.6-169.3-53.1-179.8176.3-171.8-1.4113.7C46 D47C46-R50 WeakPolarHBondContact O-CA 3.28Å; C46-R50 PolarHBondContact O-N 3.49Å; D47-R50 PolarHBondContact O-N 3.32Å; D47-R50 VanDerWaalsContact O-N 3.12Å
51L93.1Very high94.4Very high10 Ų1042.6 Ų42.65%0.05221%0.206CC..  trans-90.6124-173.6-172158.9000110.4C46 L49 C54 F57 F103 D117 V119 A120 Y123C46-L51 PolarHBondContact O-N 2.86Å; L49-L51 HydrophobicContact CB-CB 4.04Å; L49-L51 PolarHBondContact O-N 2.84Å; L51-C54 VanDerWaalsContact CD2-CA 3.43Å; L51-C54 HydrophobicContact CD2-CB 3.93Å; L51-F57 HydrophobicContact CD1-CD2 4.3Å; L51-F57 HydrophobicContact CD1-CE2 4.05Å; L51-F57 HydrophobicContact CD1-CZ 4.34Å; L51-F57 HydrophobicContact CD2-CD2 4.16Å; L51-F57 HydrophobicContact CD2-CE2 4.29Å; L51-F103 HydrophobicContact CD1-CE1 4.02Å; L51-F103 HydrophobicContact CD1-CZ 3.84Å; L51-D117 WeakPolarHBondContact CA-OD2 3.19Å; L51-V119 HydrophobicContact CB-CG1 4.26Å; L51-A120 HydrophobicContact CD1-CB 4.38Å; L51-A120 HydrophobicContact CD2-CB 4.1Å; L51-A120 HydrophobicContact CG-CB 3.96Å; L51-Y123 HydrophobicContact CD1-CD2 3.99Å
52K89.9Confident94.1Very high166 Ų16646.8 Ų46.872%0.72223%0.227SC*.SBendtrans-94.4-43.5-175.6-63.1177.5-1771720113.5C54 D117K52-C54 PolarHBondContact O-N 2.9Å; K52-D117 HydrophobicContact CB-CB 4.15Å; K52-D117 PolarHBondContact N-OD2 2.84Å
53D88.5Confident93.5Very high13 Ų1349.7 Ų49.77%0.0724%0.241CC..  trans-81.854.1-179.4-65.3-17.2000110.8H55 I115 S116 D117 A120D53-H55 PolarHBondContact O-N 3.41Å; D53-H55 IonicContact OD1-CE1 3.9Å; D53-I115 HydrophobicContact CB-CG2 4.29Å; D53-S116 PolarHBondContact OD1-OG 2.72Å; D53-S116 WeakPolarHBondContact OD2-CA 3.23Å; D53-S116 PolarHBondContact OD2-N 2.98Å; D53-S116 PolarHBondContact OD2-OG 2.94Å; D53-D117 HydrophobicContact CB-CB 4.22Å; D53-D117 PolarHBondContact OD2-N 3.47Å; D53-A120 HydrophobicContact CB-CB 3.76Å
54C90.4Very high92.8Very high41 Ų4152 Ų5228%0.27725%0.251SS..G310 helixtrans-66.5-24.8-173.661.10000113.5C46 L51 K52 L56 F57C46-C54 HydrophobicContact CB-CB 4.14Å; C46-C54 WeakPolarHBondContact SG-CB 3.47Å; L51-C54 VanDerWaalsContact CD2-CA 3.43Å; L51-C54 HydrophobicContact CD2-CB 3.93Å; K52-C54 PolarHBondContact O-N 2.9Å; C54-L56 PolarHBondContact O-N 3.2Å; C54-L56 VanDerWaalsContact O-N 3.15Å; C54-F57 PolarHBondContact O-N 2.91Å
55H89.7Confident92.3Very high27 Ų2756 Ų5613%0.12528%0.275CS..G310 helixtrans-62.8-18.7-177.359.9-100000114D53 F57 Y107 I464 E466 L469D53-H55 PolarHBondContact O-N 3.41Å; D53-H55 IonicContact OD1-CE1 3.9Å; H55-F57 VanDerWaalsContact C-N 3.33Å; H55-Y107 WeakPolarHBondContact O-CD2 3.49Å; H55-I464 PolarHBondContact CE1-O 3.3Å; H55-I464 VanDerWaalsContact CE1-O 3.23Å; H55-I464 WeakPolarHBondContact NE2-CG2 3.34Å; H55-I464 PolarHBondContact NE2-O 2.99Å; H55-E466 HydrophobicContact CB-CB 4.32Å; H55-E466 HydrophobicContact CB-CG 4.37Å; H55-L469 HydrophobicContact CB-CD1 3.75Å; H55-L469 VanDerWaalsContact O-CD1 3.26Å; H55-L469 WeakPolarHBondContact O-CD1 3.46Å
56L92.9Very high91.8Very high0 Ų056.5 Ų56.50%028%0.277CS..G310 helixtrans-79.3-15.2172.8-62.5176.8000113.4C54 Q106 Y107 V109 I115 I464C54-L56 PolarHBondContact O-N 3.2Å; C54-L56 VanDerWaalsContact O-N 3.15Å; L56-Q106 PolarHBondContact O-N 3.38Å; L56-Y107 PolarHBondContact O-N 2.97Å; L56-Y107 VanDerWaalsContact O-N 3.11Å; L56-V109 HydrophobicContact CD2-CG1 4.19Å; L56-I115 HydrophobicContact CD1-CB 4.37Å; L56-I115 HydrophobicContact CD1-CD1 3.91Å; L56-I115 HydrophobicContact CD1-CG1 3.68Å; L56-I115 HydrophobicContact CD1-CG2 4.09Å; L56-I464 HydrophobicContact CD2-CD1 3.83Å; L56-I464 HydrophobicContact CD2-CG2 4.25Å
57F96.1Very high91.6Very high4 Ų458.2 Ų58.22%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-109.9156.6-172.3-64.1-94.2000112.4L51 C54 H55 F103 R104 A105 A120L51-F57 HydrophobicContact CD1-CD2 4.3Å; L51-F57 HydrophobicContact CD1-CE2 4.05Å; L51-F57 HydrophobicContact CD1-CZ 4.34Å; L51-F57 HydrophobicContact CD2-CD2 4.16Å; L51-F57 HydrophobicContact CD2-CE2 4.29Å; C54-F57 PolarHBondContact O-N 2.91Å; H55-F57 VanDerWaalsContact C-N 3.33Å; F57-F103 HydrophobicContact CB-CD2 4.29Å; F57-F103 HydrophobicContact CB-CE1 4.32Å; F57-F103 HydrophobicContact CB-CE2 3.44Å; F57-F103 VanDerWaalsContact CB-CE2 3.44Å; F57-F103 HydrophobicContact CB-CZ 3.44Å; F57-F103 VanDerWaalsContact CB-CZ 3.44Å; F57-F103 HydrophobicContact CD1-CD1 4.27Å; F57-F103 AromaticContact CD1-CE1 3.55Å; F57-F103 HydrophobicContact CD1-CE1 3.55Å; F57-F103 HydrophobicContact CD1-CE2 4.22Å; F57-F103 AromaticContact CD1-CZ 3.51Å; F57-F103 HydrophobicContact CD1-CZ 3.51Å; F57-F103 HydrophobicContact CD2-CZ 4.1Å; F57-F103 HydrophobicContact CE1-CE1 4.01Å; F57-F103 HydrophobicContact CE1-CZ 4.28Å; F57-F103 AromaticContact CG-CE1 3.96Å; F57-F103 HydrophobicContact CG-CE1 3.96Å; F57-F103 AromaticContact CG-CE2 3.97Å; F57-F103 HydrophobicContact CG-CE2 3.97Å; F57-F103 AromaticContact CG-CZ 3.41Å; F57-F103 HydrophobicContact CG-CZ 3.41Å; F57-F103 VanDerWaalsContact CG-CZ 3.41Å; F57-R104 CarbonylContact C-O 3.53Å; F57-R104 VanDerWaalsContact CA-O 3.3Å; F57-R104 WeakPolarHBondContact CA-O 3.32Å; F57-A105 HydrophobicContact CE1-CB 4.45Å; F57-A120 HydrophobicContact CE2-CB 4.02Å; F57-A120 WeakPolarHBondContact CZ-O 3.46Å
58G95.9Very high91.3Very high0 Ų053.1 Ų53.10%026%0.257CS..EExtended strand (participates in β ladder)trans-143.6157.7175.700000112.3R104G58-R104 PolarHBondContact N-O 3.3Å; G58-R104 PolarHBondContact O-N 2.87Å
59L96.6Very high91.1Very high1 Ų148.4 Ų48.41%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-87.5134.1167.6-59.9179.6000108.9V20 L41 L42 V45 Y69 M70 I101 F103V20-L59 HydrophobicContact CG1-CD2 4.45Å; L41-L59 HydrophobicContact CB-CD1 3.99Å; L41-L59 HydrophobicContact CD2-CD1 3.88Å; L41-L59 HydrophobicContact CG-CD1 3.76Å; L42-L59 HydrophobicContact CB-CD1 4.03Å; L42-L59 HydrophobicContact CB-CG 4.22Å; L42-L59 HydrophobicContact CD1-CD2 4.35Å; L42-L59 HydrophobicContact CD1-CG 4.2Å; V45-L59 HydrophobicContact CG2-CD2 4.49Å; L59-Y69 CarbonylContact O-C 3.54Å; L59-Y69 WeakPolarHBondContact O-CA 3.23Å; L59-M70 HydrophobicContact CB-CB 4.43Å; L59-M70 HydrophobicContact CB-CG 4.31Å; L59-M70 HydrophobicContact CB-SD 3.98Å; L59-M70 PolarHBondContact O-N 3.17Å; L59-I101 HydrophobicContact CB-CG2 3.86Å; L59-I101 HydrophobicContact CD2-CG2 3.96Å; L59-I101 HydrophobicContact CG-CG2 4.35Å; L59-F103 HydrophobicContact CD2-CB 4.4Å; L59-F103 HydrophobicContact CD2-CD2 4.12Å
60S95.1Very high90.9Very high0 Ų047.7 Ų47.70%023%0.228CC..EExtended strand (participates in β ladder)trans-133.6151.517862.50000112.9H67 I68 H102S60-H67 PolarHBondContact OG-ND1 3.44Å; S60-I68 VanDerWaalsContact CA-O 3.23Å; S60-I68 WeakPolarHBondContact CA-O 3.34Å; S60-I68 WeakPolarHBondContact CB-O 3.45Å; S60-H102 PolarHBondContact N-O 3.12Å; S60-H102 PolarHBondContact O-N 3.31Å; S60-H102 PolarHBondContact OG-O 3.08Å
61V92.6Very high90.7Very high10 Ų1038.1 Ų38.16%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-111148.3165.3-810000109.8Q63 I68 M70 Y79 M99V61-Q63 HydrophobicContact CG2-CG 4.21Å; V61-I68 HydrophobicContact CG2-CB 4.45Å; V61-I68 PolarHBondContact N-O 2.86Å; V61-I68 PolarHBondContact O-N 2.83Å; V61-M70 HydrophobicContact CB-CE 4.42Å; V61-M70 HydrophobicContact CG1-CE 3.46Å; V61-M70 VanDerWaalsContact CG1-CE 3.46Å; V61-M70 HydrophobicContact CG2-CE 4.48Å; V61-Y79 HydrophobicContact CG2-CD1 3.92Å; V61-Y79 HydrophobicContact CG2-CG 4.49Å; V61-M99 HydrophobicContact CG1-CE 3.77Å
62I89.3Confident90.6Very high87 Ų8740.7 Ų40.745%0.44621%0.206SC..EExtended strand (participates in β ladder)trans-84.2122.5171.2-60176.3000108.7E66 H102I62-E66 WeakPolarHBondContact CA-O 3.42Å; I62-H102 WeakPolarHBondContact CD1-NE2 3.25Å
63Q84.4Confident90.6Very high76 Ų7637.5 Ų37.536%0.35520%0.197SC..EExtended strand (participates in β ladder)trans-135.8129.5173.5-61.8-174.42.300108.8V61 N65 E66 I68V61-Q63 HydrophobicContact CG2-CG 4.21Å; Q63-N65 PolarHBondContact O-N 2.91Å; Q63-E66 PolarHBondContact N-O 3.11Å; Q63-E66 WeakPolarHBondContact O-CB 3.41Å; Q63-E66 PolarHBondContact O-N 3.31Å; Q63-I68 HydrophobicContact CB-CG1 4.08Å; Q63-I68 HydrophobicContact CG-CG1 4.41Å
64N81.1Confident90.7Very high127 Ų12739.2 Ų39.268%0.67920%0.204SC*.THydrogen-bonded Turntrans52.435.7-176.8-52.7-41000114.1E66N64-E66 PolarHBondContact O-N 2.9Å
65N84.7Confident90.8Very high162 Ų16242.6 Ų42.687%0.86621%0.214SC*.THydrogen-bonded Turntrans62.220.9-173.6-55.5-2.7000114.8Q63Q63-N65 PolarHBondContact O-N 2.91Å
66E87.4Confident90.7Very high10 Ų1041.3 Ų41.35%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-113.8145.5173.7-57.5175.3147.300110.4I62 Q63 N64 I68 R227 R301I62-E66 WeakPolarHBondContact CA-O 3.42Å; Q63-E66 PolarHBondContact N-O 3.11Å; Q63-E66 WeakPolarHBondContact O-CB 3.41Å; Q63-E66 PolarHBondContact O-N 3.31Å; N64-E66 PolarHBondContact O-N 2.9Å; E66-I68 HydrophobicContact CB-CD1 4.25Å; E66-R227 WeakPolarHBondContact OE1-CB 3.42Å; E66-R227 WeakPolarHBondContact OE1-CD 3.48Å; E66-R227 WeakPolarHBondContact OE1-CG 3.37Å; E66-R227 PolarHBondContact OE1-N 3.23Å; E66-R301 VanDerWaalsContact CD-NH1 3.28Å; E66-R301 IonicContact OE1-CZ 2.84Å; E66-R301 IonicContact OE1-NH1 3.88Å; E66-R301 PolarHBondContact OE1-NH1 3.14Å; E66-R301 VanDerWaalsContact OE1-NH1 3.12Å; E66-R301 WeakPolarHBondContact OE2-CD 3.3Å; E66-R301 IonicContact OE2-CZ 2.62Å; E66-R301 IonicContact OE2-NE 3.92Å; E66-R301 IonicContact OE2-NH1 3.69Å; E66-R301 PolarHBondContact OE2-NH1 3.32Å
67H90.6Very high90.3Very high42 Ų4242.4 Ų42.419%0.19422%0.216CC..EExtended strand (participates in β ladder)trans-81.1118.1167.3-79.5-95.7000110.2S60 H102 R104S60-H67 PolarHBondContact OG-ND1 3.44Å; H67-H102 AromaticContact CE1-CD2 3.85Å; H67-H102 AromaticContact CE1-CG 3.84Å; H67-R104 PolarHBondContact CD2-NH1 3Å; H67-R104 PolarHBondContact CE1-NH1 3.39Å; H67-R104 PolarHBondContact NE2-NH1 3.03Å
68I90.5Very high89.9Confident10 Ų1045.6 Ų45.65%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-105.3113.7172.8-51.4-57.3000107.3S60 V61 Q63 E66 Y226 R301S60-I68 VanDerWaalsContact CA-O 3.23Å; S60-I68 WeakPolarHBondContact CA-O 3.34Å; S60-I68 WeakPolarHBondContact CB-O 3.45Å; V61-I68 HydrophobicContact CG2-CB 4.45Å; V61-I68 PolarHBondContact N-O 2.86Å; V61-I68 PolarHBondContact O-N 2.83Å; Q63-I68 HydrophobicContact CB-CG1 4.08Å; Q63-I68 HydrophobicContact CG-CG1 4.41Å; E66-I68 HydrophobicContact CB-CD1 4.25Å; I68-Y226 HydrophobicContact CD1-CE1 4.49Å; I68-R301 HydrophobicContact CD1-CG 4.33Å
69Y93Very high89.4Confident2 Ų246.4 Ų46.41%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-70146.1174.9-63.5-85.2000110.3L59 R104 A105 Q106 H224 H304 L308L59-Y69 CarbonylContact O-C 3.54Å; L59-Y69 WeakPolarHBondContact O-CA 3.23Å; Y69-R104 HydrophobicContact CE1-CB 4.34Å; Y69-A105 PolarHBondContact OH-O 3.03Å; Y69-Q106 HydrophobicContact CD1-CB 4.01Å; Y69-Q106 HydrophobicContact CD1-CG 3.87Å; Y69-Q106 HydrophobicContact CD2-CG 4.11Å; Y69-Q106 HydrophobicContact CE1-CB 3.72Å; Y69-Q106 HydrophobicContact CE1-CG 3.94Å; Y69-Q106 HydrophobicContact CE2-CG 4.17Å; Y69-Q106 HydrophobicContact CG-CG 3.98Å; Y69-H224 AromaticContact CZ-CE1 4Å; Y69-H224 PolarHBondContact OH-CE1 2.95Å; Y69-H304 WeakPolarHBondContact CB-NE2 3.49Å; Y69-H304 AromaticContact CD2-NE2 3.72Å; Y69-H304 PolarHBondContact N-NE2 2.92Å; Y69-H304 PolarHBondContact O-CD2 2.8Å; Y69-L308 HydrophobicContact CD2-CD2 4.48Å
70M92.4Very high88.4Confident6 Ų647 Ų473%0.0324%0.237CC..PPolyproline II helixtrans-81.5132.1178.8-61.7-174.8-174.900110.1C38 L59 V61 L72 L76 Y79 M99 I101C38-M70 HydrophobicContact CB-CB 3.93Å; L59-M70 HydrophobicContact CB-CB 4.43Å; L59-M70 HydrophobicContact CB-CG 4.31Å; L59-M70 HydrophobicContact CB-SD 3.98Å; L59-M70 PolarHBondContact O-N 3.17Å; V61-M70 HydrophobicContact CB-CE 4.42Å; V61-M70 HydrophobicContact CG1-CE 3.46Å; V61-M70 VanDerWaalsContact CG1-CE 3.46Å; V61-M70 HydrophobicContact CG2-CE 4.48Å; M70-L72 PolarHBondContact O-N 3.07Å; M70-L76 HydrophobicContact SD-CD2 3.96Å; M70-Y79 HydrophobicContact CB-CD2 4.4Å; M70-Y79 HydrophobicContact CB-CE2 4.07Å; M70-Y79 HydrophobicContact CE-CG 4.48Å; M70-Y79 HydrophobicContact CG-CD1 4.29Å; M70-Y79 HydrophobicContact CG-CD2 4.03Å; M70-Y79 HydrophobicContact CG-CE1 4.4Å; M70-Y79 HydrophobicContact CG-CE2 4.16Å; M70-Y79 HydrophobicContact CG-CG 4.11Å; M70-Y79 HydrophobicContact SD-CD2 4.33Å; M70-M99 HydrophobicContact CE-CE 3.72Å; M70-I101 HydrophobicContact CE-CB 4.4Å; M70-I101 HydrophobicContact CE-CD1 3.59Å; M70-I101 HydrophobicContact CE-CG1 3.7Å; M70-I101 HydrophobicContact CE-CG2 3.98Å; M70-I101 HydrophobicContact SD-CD1 4.21Å
71E90.4Very high87.4Confident6 Ų650.4 Ų50.43%0.02826%0.259CS..PPolyproline II helixtrans-70.1121.5170.1-63.9165.1-177.300108.1C38 D73 Q74 K78 Y79 R303C38-E71 WeakPolarHBondContact CB-O 3.46Å; E71-D73 VanDerWaalsContact C-N 3.3Å; E71-D73 WeakPolarHBondContact CB-OD1 3.27Å; E71-D73 PolarHBondContact O-N 2.9Å; E71-Q74 HydrophobicContact CB-CB 4.26Å; E71-Q74 HydrophobicContact CB-CG 3.53Å; E71-Q74 HydrophobicContact CG-CG 4.44Å; E71-Q74 WeakPolarHBondContact O-CB 3.26Å; E71-Q74 PolarHBondContact O-N 2.97Å; E71-Q74 VanDerWaalsContact O-N 3.08Å; E71-Q74 WeakPolarHBondContact OE2-CG 3.35Å; E71-K78 IonicContact OE2-NZ 2.84Å; E71-K78 PolarHBondContact OE2-NZ 2.8Å; E71-Y79 WeakPolarHBondContact CG-OH 3.44Å; E71-Y79 PolarHBondContact N-OH 2.87Å; E71-R303 IonicContact OE1-CZ 2.67Å; E71-R303 VanDerWaalsContact OE1-CZ 3.23Å; E71-R303 IonicContact OE1-NE 3.22Å; E71-R303 PolarHBondContact OE1-NE 2.88Å; E71-R303 IonicContact OE1-NH2 3.81Å; E71-R303 PolarHBondContact OE1-NH2 3.45Å; E71-R303 IonicContact OE2-CZ 2.71Å; E71-R303 IonicContact OE2-NE 3.51Å; E71-R303 IonicContact OE2-NH2 2.76Å; E71-R303 PolarHBondContact OE2-NH2 3.21Å
72L90.4Very high86.4Confident65 Ų6557.8 Ų57.834%0.3429%0.29SS..THydrogen-bonded Turntrans-63.4-34-168.6-61.5-175.5000113.2Q39 L42 M70 Q74Q39-L72 HydrophobicContact CB-CB 3.99Å; Q39-L72 WeakPolarHBondContact CB-O 3.16Å; Q39-L72 HydrophobicContact CG-CB 4.45Å; Q39-L72 PolarHBondContact N-O 3.33Å; L42-L72 HydrophobicContact CB-CD2 4.47Å; L42-L72 HydrophobicContact CD2-CD1 4.21Å; L42-L72 HydrophobicContact CD2-CD2 3.7Å; M70-L72 PolarHBondContact O-N 3.07Å; L72-Q74 PolarHBondContact O-N 3.43Å
73D90.2Very high85.3Confident99 Ų9958.6 Ų58.653%0.52929%0.292SS..THydrogen-bonded Turntrans-72.5-11.3177.268.6-55.9000113.9E71E71-D73 VanDerWaalsContact C-N 3.3Å; E71-D73 WeakPolarHBondContact CB-OD1 3.27Å; E71-D73 PolarHBondContact O-N 2.9Å
74Q91.8Very high84.5Confident49 Ų4955.5 Ų55.523%0.22928%0.277CS..SBendtrans-92.2155.8-177.7-58.2-67.9-63.600112.2L37 C38 E71 L72 K78 Y79L37-Q74 CarbonylContact C-O 3.57Å; L37-Q74 WeakPolarHBondContact CA-O 3.33Å; C38-Q74 PolarHBondContact N-O 2.84Å; C38-Q74 PolarHBondContact SG-O 3.33Å; E71-Q74 HydrophobicContact CB-CB 4.26Å; E71-Q74 HydrophobicContact CB-CG 3.53Å; E71-Q74 HydrophobicContact CG-CG 4.44Å; E71-Q74 WeakPolarHBondContact O-CB 3.26Å; E71-Q74 PolarHBondContact O-N 2.97Å; E71-Q74 VanDerWaalsContact O-N 3.08Å; E71-Q74 WeakPolarHBondContact OE2-CG 3.35Å; L72-Q74 PolarHBondContact O-N 3.43Å; Q74-K78 HydrophobicContact CB-CD 3.98Å; Q74-K78 VanDerWaalsContact CD-NZ 3.27Å; Q74-K78 HydrophobicContact CG-CD 4.01Å; Q74-Y79 HydrophobicContact CB-CE2 4.25Å
75K91.3Very high83.6Confident111 Ų11155 Ų5548%0.48327%0.269SS..BIsolated β-bridgetrans-74138173-65.8173.3179.6168.50110.3L37 S77 K78L37-K75 HydrophobicContact CD2-CG 3.78Å; K75-S77 PolarHBondContact O-N 3.28Å; K75-K78 VanDerWaalsContact O-CB 3.23Å; K75-K78 WeakPolarHBondContact O-CB 3.05Å; K75-K78 PolarHBondContact O-N 3.23Å
76L88.7Confident82.6Confident1 Ų154.6 Ų54.61%0.00526%0.255CS..G310 helixtrans-48.8-40.2175.1-70.2171.8000112V32 T36 C38 L41 M70 K78 Y79 C80 I101V32-L76 HydrophobicContact CB-CD1 4.3Å; V32-L76 HydrophobicContact CG1-CD1 4.33Å; V32-L76 HydrophobicContact CG2-CD1 3.9Å; T36-L76 HydrophobicContact CG2-CD1 3.73Å; T36-L76 PolarHBondContact O-N 3.05Å; C38-L76 HydrophobicContact CB-CD2 4.46Å; L41-L76 HydrophobicContact CB-CD1 4.2Å; L41-L76 HydrophobicContact CB-CD2 4.32Å; L41-L76 HydrophobicContact CD2-CD1 3.91Å; L41-L76 HydrophobicContact CD2-CD2 3.68Å; L41-L76 HydrophobicContact CD2-CG 4.47Å; M70-L76 HydrophobicContact SD-CD2 3.96Å; L76-K78 PolarHBondContact O-N 2.97Å; L76-Y79 PolarHBondContact O-N 2.91Å; L76-C80 PolarHBondContact O-N 3.5Å; L76-C80 PolarHBondContact O-SG 3.14Å; L76-I101 HydrophobicContact CD2-CD1 4.24Å
77S84.4Confident81Confident22 Ų2261.3 Ų61.315%0.15429%0.287CS..G310 helixtrans-53.3-18.4177.775.20000114.9K75 Y79 C80 K85K75-S77 PolarHBondContact O-N 3.28Å; S77-Y79 VanDerWaalsContact C-N 3.32Å; S77-C80 VanDerWaalsContact CA-SG 3.53Å; S77-K85 WeakPolarHBondContact O-CE 3.44Å; S77-K85 PolarHBondContact O-NZ 3.39Å
78K87.3Confident79.1Confident72 Ų7260.5 Ų60.531%0.31329%0.288SS..G310 helixtrans-66.7-32.6171.8-173.2179.1-179.3-1800113.1E71 Q74 K75 L76E71-K78 IonicContact OE2-NZ 2.84Å; E71-K78 PolarHBondContact OE2-NZ 2.8Å; Q74-K78 HydrophobicContact CB-CD 3.98Å; Q74-K78 VanDerWaalsContact CD-NZ 3.27Å; Q74-K78 HydrophobicContact CG-CD 4.01Å; K75-K78 VanDerWaalsContact O-CB 3.23Å; K75-K78 WeakPolarHBondContact O-CB 3.05Å; K75-K78 PolarHBondContact O-N 3.23Å; L76-K78 PolarHBondContact O-N 2.97Å
79Y85.6Confident77.1Confident16 Ų1664.3 Ų64.36%0.06332%0.315CS..THydrogen-bonded Turntrans-100.1-15.8-177-58.1-86.4000112.9V61 M70 E71 Q74 L76 S77V61-Y79 HydrophobicContact CG2-CD1 3.92Å; V61-Y79 HydrophobicContact CG2-CG 4.49Å; M70-Y79 HydrophobicContact CB-CD2 4.4Å; M70-Y79 HydrophobicContact CB-CE2 4.07Å; M70-Y79 HydrophobicContact CE-CG 4.48Å; M70-Y79 HydrophobicContact CG-CD1 4.29Å; M70-Y79 HydrophobicContact CG-CD2 4.03Å; M70-Y79 HydrophobicContact CG-CE1 4.4Å; M70-Y79 HydrophobicContact CG-CE2 4.16Å; M70-Y79 HydrophobicContact CG-CG 4.11Å; M70-Y79 HydrophobicContact SD-CD2 4.33Å; E71-Y79 WeakPolarHBondContact CG-OH 3.44Å; E71-Y79 PolarHBondContact N-OH 2.87Å; Q74-Y79 HydrophobicContact CB-CE2 4.25Å; L76-Y79 PolarHBondContact O-N 2.91Å; S77-Y79 VanDerWaalsContact C-N 3.32Å
80C76.1Confident75.2Confident15 Ų1569.9 Ų69.910%0.10134%0.339CS..SBendtrans-69.4152.4178.6-54.30000113.6L76 S77 W84 M99L76-C80 PolarHBondContact O-N 3.5Å; L76-C80 PolarHBondContact O-SG 3.14Å; S77-C80 VanDerWaalsContact CA-SG 3.53Å; C80-W84 HydrophobicContact CB-CB 3.71Å; C80-W84 HydrophobicContact CB-CD2 4.34Å; C80-W84 HydrophobicContact CB-CG 3.62Å; C80-W84 PolarHBondContact SG-NE1 3.2Å; C80-M99 HydrophobicContact CB-SD 4.27Å; C80-M99 PolarHBondContact SG-SD 2.97Å
81P74.1Confident73.3Confident70 Ų7071.2 Ų71.246%0.45535%0.354SS..  trans-53.4157.4163.9-24.634.6000112.9E83 W84P81-E83 WeakPolarHBondContact CB-OE2 3.45Å; P81-E83 PolarHBondContact O-N 3.01Å; P81-W84 VanDerWaalsContact O-CB 3.29Å; P81-W84 WeakPolarHBondContact O-CB 3.43Å; P81-W84 PolarHBondContact O-N 2.91Å
82K69.7Low71.7Confident165 Ų16573.8 Ų73.872%0.71737%0.368SS*.THydrogen-bonded Turntrans-65.2-25.2-179.3-67.3179.9-178.7176.10112.2K85K82-K85 PolarHBondContact O-N 2.9Å
83E66.8Low70Confident104 Ų10478.1 Ų78.149%0.48639%0.391SS..THydrogen-bonded Turntrans-67.6-39-179-64.754.6-114.300110.2P81 K85 R86P81-E83 WeakPolarHBondContact CB-OE2 3.45Å; P81-E83 PolarHBondContact O-N 3.01Å; E83-K85 PolarHBondContact O-N 3.24Å; E83-R86 PolarHBondContact O-N 2.9Å; E83-R86 IonicContact OE1-CZ 3.74Å; E83-R86 IonicContact OE1-NH2 3.83Å; E83-R86 PolarHBondContact OE1-NH2 2.95Å
84W67.3Low68.2Low11 Ų1179.2 Ų79.24%0.04239%0.393CS..THydrogen-bonded Turntrans-59.2-32.9177.4-170.7-91.4000113.4R16 C17 V18 C80 P81 M99R16-W84 HydrophobicContact CB-CD2 4.15Å; R16-W84 VanDerWaalsContact CB-CE2 3.48Å; R16-W84 HydrophobicContact CB-CE3 4.46Å; R16-W84 HydrophobicContact CB-CH2 3.69Å; R16-W84 HydrophobicContact CB-CZ2 3.28Å; R16-W84 HydrophobicContact CB-CZ3 4.22Å; R16-W84 HydrophobicContact CG-CD2 4.12Å; R16-W84 HydrophobicContact CG-CG 4.5Å; R16-W84 HydrophobicContact CG-CZ2 4.06Å; R16-W84 PolarHBondContact NE-O 2.91Å; C17-W84 WeakPolarHBondContact O-CH2 3.08Å; C17-W84 WeakPolarHBondContact O-CZ3 3.26Å; V18-W84 HydrophobicContact CB-CH2 4.43Å; V18-W84 HydrophobicContact CG2-CH2 3.6Å; V18-W84 HydrophobicContact CG2-CZ2 3.52Å; C80-W84 HydrophobicContact CB-CB 3.71Å; C80-W84 HydrophobicContact CB-CD2 4.34Å; C80-W84 HydrophobicContact CB-CG 3.62Å; C80-W84 PolarHBondContact SG-NE1 3.2Å; P81-W84 VanDerWaalsContact O-CB 3.29Å; P81-W84 WeakPolarHBondContact O-CB 3.43Å; P81-W84 PolarHBondContact O-N 2.91Å; W84-M99 HydrophobicContact CD2-CB 4.39Å; W84-M99 HydrophobicContact CE3-CB 3.93Å; W84-M99 HydrophobicContact CH2-CB 3.37Å; W84-M99 HydrophobicContact CZ2-CB 3.92Å; W84-M99 HydrophobicContact CZ2-SD 4.43Å; W84-M99 HydrophobicContact CZ3-CB 3.43Å; W84-M99 VanDerWaalsContact CZ3-CB 3.43Å
85K63.8Low66.6Low117 Ų11778.6 Ų78.651%0.50939%0.39SS..THydrogen-bonded Turntrans-80.8-16178-62.2-174-175-177.50113.8S77 K82 E83S77-K85 WeakPolarHBondContact O-CE 3.44Å; S77-K85 PolarHBondContact O-NZ 3.39Å; K82-K85 PolarHBondContact O-N 2.9Å; E83-K85 PolarHBondContact O-N 3.24Å
86R62.6Low65Low153 Ų15376.2 Ų76.258%0.57740%0.396SS*.SBendtrans-80.6168.3-177.5-77.8-172.7-84.1-175-1.3111.5R16 E83 A88R16-R86 PolarHBondContact NH2-O 3.25Å; R16-R86 VanDerWaalsContact NH2-O 3.07Å; E83-R86 PolarHBondContact O-N 2.9Å; E83-R86 IonicContact OE1-CZ 3.74Å; E83-R86 IonicContact OE1-NH2 3.83Å; E83-R86 PolarHBondContact OE1-NH2 2.95Å; R86-A88 PolarHBondContact O-N 2.84Å
87E54Low63.8Low151 Ų15181.6 Ų81.671%0.70643%0.431SS*.  trans-58.5129.4-150.6-70176.4130.400115.8S89 F95E87-S89 PolarHBondContact O-N 2.86Å; E87-F95 WeakPolarHBondContact O-CE1 3.44Å; E87-F95 WeakPolarHBondContact O-CZ 3.29Å
88A51.4Low63.2Low26 Ų2683.5 Ų83.522%0.21544%0.443CS..THydrogen-bonded Turn-0.1-16.4129.500000122.5Q13 R86 K90Q13-A88 HydrophobicContact CB-CB 3.6Å; Q13-A88 HydrophobicContact CG-CB 3.83Å; Q13-A88 VanDerWaalsContact CG-O 3.32Å; Q13-A88 WeakPolarHBondContact CG-O 3.46Å; Q13-A88 PolarHBondContact NE2-O 3.39Å; R86-A88 PolarHBondContact O-N 2.84Å; A88-K90 VanDerWaalsContact C-N 3.28Å; A88-K90 PolarHBondContact O-N 3.45Å
89S48.5Very low63.1Low89 Ų8980.4 Ų80.462%0.62243%0.43SS*.THydrogen-bonded Turntrans-80.5-5.7-170.250.60000114.2E87E87-S89 PolarHBondContact O-N 2.86Å
90K52.3Low63.3Low120 Ų12083.9 Ų83.952%0.52245%0.449SS..SBendtrans-121.9153.2177.3-52.5-168.7177.4-173.60110.5A88 Q94 F95A88-K90 VanDerWaalsContact C-N 3.28Å; A88-K90 PolarHBondContact O-N 3.45Å; K90-Q94 HydrophobicContact CB-CB 3.57Å; K90-Q94 HydrophobicContact CB-CG 4.41Å; K90-Q94 HydrophobicContact CD-CB 4.24Å; K90-F95 WeakPolarHBondContact O-CE2 3.3Å; K90-F95 WeakPolarHBondContact O-CZ 3.18Å
91G52.6Low64.2Low33 Ų3383.2 Ų83.234%0.3444%0.444SS..  trans-66170.4-179.100000113.3D93 Q94 F95G91-D93 PolarHBondContact O-N 2.86Å; G91-D93 VanDerWaalsContact O-N 3.09Å; G91-Q94 PolarHBondContact O-N 3.38Å; G91-F95 VanDerWaalsContact O-CD2 3.26Å; G91-F95 WeakPolarHBondContact O-CD2 3.4Å
92I56.9Low65.3Low61 Ų6181.7 Ų81.731%0.31343%0.431SS..G310 helixtrans-50.8-38.1178.4-63.4173.7000110.9C17 Q94C17-I92 HydrophobicContact CB-CG2 4.42Å; I92-Q94 VanDerWaalsContact C-N 3.25Å; I92-Q94 PolarHBondContact O-N 2.91Å
93D53.8Low66.6Low156 Ų15673.9 Ų73.983%0.83440%0.397SS*.G310 helixtrans-80.44.3-175.6-37.1-55.7000114.4G91G91-D93 PolarHBondContact O-N 2.86Å; G91-D93 VanDerWaalsContact O-N 3.09Å
94Q54Low68Low121 Ų12170.7 Ų70.757%0.56538%0.38SS*.G310 helixtrans-120.93.4-173.7-66.7-177.953.400113.9K90 G91 I92 G96K90-Q94 HydrophobicContact CB-CB 3.57Å; K90-Q94 HydrophobicContact CB-CG 4.41Å; K90-Q94 HydrophobicContact CD-CB 4.24Å; G91-Q94 PolarHBondContact O-N 3.38Å; I92-Q94 VanDerWaalsContact C-N 3.25Å; I92-Q94 PolarHBondContact O-N 2.91Å; Q94-G96 PolarHBondContact O-N 3.15Å; Q94-G96 VanDerWaalsContact O-N 3.13Å
95F58.4Low69.4Low37 Ų3770.2 Ų70.216%0.16238%0.378CS..SBendtrans-83.635.8-179.1-79.2-71.9000114.5R16 E87 K90 G91R16-F95 VanDerWaalsContact CZ-CZ 3.47Å; E87-F95 WeakPolarHBondContact O-CE1 3.44Å; E87-F95 WeakPolarHBondContact O-CZ 3.29Å; K90-F95 WeakPolarHBondContact O-CE2 3.3Å; K90-F95 WeakPolarHBondContact O-CZ 3.18Å; G91-F95 VanDerWaalsContact O-CD2 3.26Å; G91-F95 WeakPolarHBondContact O-CD2 3.4Å
96G57.8Low70.9Confident60 Ų6065.7 Ų65.762%0.61936%0.359SS*.SBendtrans66.3-162.6-178.700000113Q94Q94-G96 PolarHBondContact O-N 3.15Å; Q94-G96 VanDerWaalsContact O-N 3.13Å
97P62.6Low72.5Confident115 Ų11559 Ų5975%0.74733%0.334SS*.SBendtrans-64.9143.6174.227.7-33.7000110.8
98P72.2Confident74.4Confident61 Ų6152.7 Ų52.740%0.39630%0.304SS..PPolyproline II helixtrans-61.5150.7179.127-35000111.2C17 C19 I100C17-P98 WeakPolarHBondContact O-CB 3.43Å; C19-P98 HydrophobicContact CB-CB 4.11Å; C19-P98 HydrophobicContact CB-CG 4.1Å; P98-I100 PolarHBondContact O-N 2.94Å
99M83.9Confident76.4Confident8 Ų851.5 Ų51.54%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-65.1121.2173.5179.2-173.1-177.200108.6C19 V61 M70 C80 W84 I101C19-M99 PolarHBondContact N-O 3.41Å; V61-M99 HydrophobicContact CG1-CE 3.77Å; M70-M99 HydrophobicContact CE-CE 3.72Å; C80-M99 HydrophobicContact CB-SD 4.27Å; C80-M99 PolarHBondContact SG-SD 2.97Å; W84-M99 HydrophobicContact CD2-CB 4.39Å; W84-M99 HydrophobicContact CE3-CB 3.93Å; W84-M99 HydrophobicContact CH2-CB 3.37Å; W84-M99 HydrophobicContact CZ2-CB 3.92Å; W84-M99 HydrophobicContact CZ2-SD 4.43Å; W84-M99 HydrophobicContact CZ3-CB 3.43Å; W84-M99 VanDerWaalsContact CZ3-CB 3.43Å; M99-I101 HydrophobicContact CE-CD1 3.89Å; M99-I101 HydrophobicContact CE-CG1 3.89Å; M99-I101 HydrophobicContact CG-CG1 4.1Å; M99-I101 HydrophobicContact SD-CD1 3.93Å; M99-I101 HydrophobicContact SD-CG1 4.11Å
100I90.4Very high78.5Confident89 Ų8949.2 Ų49.246%0.45627%0.274SS..EExtended strand (participates in β ladder)trans-83.9123.4175.9-62.9178000108.7F21 P98F21-I100 HydrophobicContact CD2-CG2 3.75Å; F21-I100 HydrophobicContact CE2-CD1 4.4Å; F21-I100 HydrophobicContact CE2-CG1 4.21Å; F21-I100 HydrophobicContact CE2-CG2 3.8Å; P98-I100 PolarHBondContact O-N 2.94Å
101I95.1Very high80.4Confident0 Ų044 Ų440%025%0.251CS..EExtended strand (participates in β ladder)trans-125.5145.3173-61.3-174.5000107.5V18 C19 V20 F21 L41 L59 M70 L76 M99V18-I101 HydrophobicContact CG1-CB 4.35Å; V18-I101 HydrophobicContact CG1-CD1 3.49Å; V18-I101 VanDerWaalsContact CG1-CD1 3.49Å; V18-I101 HydrophobicContact CG1-CG1 3.86Å; C19-I101 PolarHBondContact O-N 3.07Å; V20-I101 CarbonylContact C-O 3.59Å; V20-I101 VanDerWaalsContact CA-O 3.32Å; V20-I101 WeakPolarHBondContact CA-O 3.32Å; V20-I101 HydrophobicContact CG2-CB 4.41Å; F21-I101 PolarHBondContact N-O 2.78Å; L41-I101 HydrophobicContact CD2-CD1 3.6Å; L59-I101 HydrophobicContact CB-CG2 3.86Å; L59-I101 HydrophobicContact CD2-CG2 3.96Å; L59-I101 HydrophobicContact CG-CG2 4.35Å; M70-I101 HydrophobicContact CE-CB 4.4Å; M70-I101 HydrophobicContact CE-CD1 3.59Å; M70-I101 HydrophobicContact CE-CG1 3.7Å; M70-I101 HydrophobicContact CE-CG2 3.98Å; M70-I101 HydrophobicContact SD-CD1 4.21Å; L76-I101 HydrophobicContact CD2-CD1 4.24Å; M99-I101 HydrophobicContact CE-CD1 3.89Å; M99-I101 HydrophobicContact CE-CG1 3.89Å; M99-I101 HydrophobicContact CG-CG1 4.1Å; M99-I101 HydrophobicContact SD-CD1 3.93Å; M99-I101 HydrophobicContact SD-CG1 4.11Å
102H96.8Very high82.3Confident39 Ų3942.4 Ų42.418%0.18124%0.235CC..EExtended strand (participates in β ladder)trans-112.2122.1173.8-57.1-95.7000110S60 I62 H67 R104S60-H102 PolarHBondContact N-O 3.12Å; S60-H102 PolarHBondContact O-N 3.31Å; S60-H102 PolarHBondContact OG-O 3.08Å; I62-H102 WeakPolarHBondContact CD1-NE2 3.25Å; H67-H102 AromaticContact CE1-CD2 3.85Å; H67-H102 AromaticContact CE1-CG 3.84Å; H102-R104 HydrophobicContact CB-CG 3.84Å
103F97.8Very high83.9Confident1 Ų142.5 Ų42.50%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-81.1119.5166.4179.6-107.5000108.2V20 F21 L22 P23 L42 V45 L49 L51 F57 L59V20-F103 HydrophobicContact CG1-CB 3.79Å; F21-F103 PolarHBondContact O-N 3.31Å; L22-F103 HydrophobicContact CD2-CB 4.01Å; L22-F103 HydrophobicContact CD2-CD1 4.09Å; L22-F103 HydrophobicContact CD2-CG 4.36Å; P23-F103 WeakPolarHBondContact CD-O 3.18Å; P23-F103 HydrophobicContact CG-CD1 4.32Å; L42-F103 HydrophobicContact CD1-CD2 4.11Å; L42-F103 HydrophobicContact CD1-CE2 3.76Å; V45-F103 HydrophobicContact CG1-CB 4.47Å; V45-F103 HydrophobicContact CG1-CD2 3.78Å; V45-F103 HydrophobicContact CG1-CE2 4.09Å; V45-F103 HydrophobicContact CG1-CG 4.02Å; L49-F103 HydrophobicContact CD1-CD1 4.08Å; L49-F103 HydrophobicContact CD1-CE1 3.79Å; L49-F103 HydrophobicContact CD1-CZ 4.33Å; L51-F103 HydrophobicContact CD1-CE1 4.02Å; L51-F103 HydrophobicContact CD1-CZ 3.84Å; F57-F103 HydrophobicContact CB-CD2 4.29Å; F57-F103 HydrophobicContact CB-CE1 4.32Å; F57-F103 HydrophobicContact CB-CE2 3.44Å; F57-F103 VanDerWaalsContact CB-CE2 3.44Å; F57-F103 HydrophobicContact CB-CZ 3.44Å; F57-F103 VanDerWaalsContact CB-CZ 3.44Å; F57-F103 HydrophobicContact CD1-CD1 4.27Å; F57-F103 AromaticContact CD1-CE1 3.55Å; F57-F103 HydrophobicContact CD1-CE1 3.55Å; F57-F103 HydrophobicContact CD1-CE2 4.22Å; F57-F103 AromaticContact CD1-CZ 3.51Å; F57-F103 HydrophobicContact CD1-CZ 3.51Å; F57-F103 HydrophobicContact CD2-CZ 4.1Å; F57-F103 HydrophobicContact CE1-CE1 4.01Å; F57-F103 HydrophobicContact CE1-CZ 4.28Å; F57-F103 AromaticContact CG-CE1 3.96Å; F57-F103 HydrophobicContact CG-CE1 3.96Å; F57-F103 AromaticContact CG-CE2 3.97Å; F57-F103 HydrophobicContact CG-CE2 3.97Å; F57-F103 AromaticContact CG-CZ 3.41Å; F57-F103 HydrophobicContact CG-CZ 3.41Å; F57-F103 VanDerWaalsContact CG-CZ 3.41Å; L59-F103 HydrophobicContact CD2-CB 4.4Å; L59-F103 HydrophobicContact CD2-CD2 4.12Å
104R96.6Very high85.7Confident37 Ų3735.1 Ų35.114%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-144.9155-169.1-65.6-161.368.1-179.8-8.2111.5F57 G58 H67 Y69 H102 Q106 H127F57-R104 CarbonylContact C-O 3.53Å; F57-R104 VanDerWaalsContact CA-O 3.3Å; F57-R104 WeakPolarHBondContact CA-O 3.32Å; G58-R104 PolarHBondContact N-O 3.3Å; G58-R104 PolarHBondContact O-N 2.87Å; H67-R104 PolarHBondContact CD2-NH1 3Å; H67-R104 PolarHBondContact CE1-NH1 3.39Å; H67-R104 PolarHBondContact NE2-NH1 3.03Å; Y69-R104 HydrophobicContact CE1-CB 4.34Å; H102-R104 HydrophobicContact CB-CG 3.84Å; R104-Q106 PolarHBondContact O-N 3.4Å; R104-H127 PolarHBondContact NE-CE1 3.2Å; R104-H127 VanDerWaalsContact NE-CE1 3.3Å; R104-H127 PolarHBondContact NE-ND1 3.34Å; R104-H127 PolarHBondContact NH2-CE1 3.01Å
105A96.4Very high87.5Confident0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-65.1117.4168.500000109.2F57 Y69 Y108 Y124 H127F57-A105 HydrophobicContact CE1-CB 4.45Å; Y69-A105 PolarHBondContact OH-O 3.03Å; A105-Y108 HydrophobicContact CB-CE1 4.34Å; A105-Y124 HydrophobicContact CB-CD2 3.63Å; A105-Y124 HydrophobicContact CB-CE2 3.82Å; A105-H127 HydrophobicContact CB-CB 4.27Å; A105-H127 PolarHBondContact N-CE1 3.26Å; A105-H127 PolarHBondContact N-ND1 3.23Å; A105-H127 VanDerWaalsContact N-ND1 3.15Å; A105-H127 PolarHBondContact O-CE1 2.86Å
106Q95.6Very high89Confident23 Ų2330.2 Ų30.211%0.10718%0.175CC..  trans-92.1-35.3179.7-178.6170.2-13.700110.9L56 Y69 R104 H224 L308L56-Q106 PolarHBondContact O-N 3.38Å; Y69-Q106 HydrophobicContact CD1-CB 4.01Å; Y69-Q106 HydrophobicContact CD1-CG 3.87Å; Y69-Q106 HydrophobicContact CD2-CG 4.11Å; Y69-Q106 HydrophobicContact CE1-CB 3.72Å; Y69-Q106 HydrophobicContact CE1-CG 3.94Å; Y69-Q106 HydrophobicContact CE2-CG 4.17Å; Y69-Q106 HydrophobicContact CG-CG 3.98Å; R104-Q106 PolarHBondContact O-N 3.4Å; Q106-H224 PolarHBondContact O-NE2 3.4Å; Q106-L308 HydrophobicContact CG-CD1 3.8Å
107Y94.9Very high90.6Very high13 Ų1328.2 Ų28.25%0.05115%0.151CC..SBendtrans-116.3120.9178.8-61.5-70.7000110.1H55 L56 L308 N311 L315 L469H55-Y107 WeakPolarHBondContact O-CD2 3.49Å; L56-Y107 PolarHBondContact O-N 2.97Å; L56-Y107 VanDerWaalsContact O-N 3.11Å; Y107-L308 HydrophobicContact CE1-CD1 3.93Å; Y107-N311 HydrophobicContact CE1-CB 3.67Å; Y107-N311 VanDerWaalsContact OH-CB 3.26Å; Y107-N311 WeakPolarHBondContact OH-CB 3.38Å; Y107-N311 PolarHBondContact OH-ND2 3.2Å; Y107-N311 VanDerWaalsContact OH-ND2 3.08Å; Y107-L315 HydrophobicContact CD1-CD2 4.41Å; Y107-L315 HydrophobicContact CG-CD2 4.34Å; Y107-L469 HydrophobicContact CD1-CD2 3.88Å; Y107-L469 HydrophobicContact CD2-CD1 4.2Å; Y107-L469 HydrophobicContact CD2-CD2 3.69Å; Y107-L469 HydrophobicContact CE1-CD2 4.03Å; Y107-L469 HydrophobicContact CE2-CD2 3.83Å; Y107-L469 HydrophobicContact CG-CD2 3.72Å
108Y95.2Very high92.1Very high18 Ų1828.7 Ų28.77%0.07114%0.137CC..  trans-86.6153.8178.4-63.3-58.9000111.5A105 Y124 H127 L128 T222 H224 L245A105-Y108 HydrophobicContact CB-CE1 4.34Å; Y108-Y124 WeakPolarHBondContact CA-OH 3.45Å; Y108-Y124 HydrophobicContact CD1-CE2 4.21Å; Y108-H127 AromaticContact CE1-CD2 3.77Å; Y108-H127 AromaticContact CE1-NE2 3.34Å; Y108-H127 VanDerWaalsContact CE1-NE2 3.34Å; Y108-H127 WeakPolarHBondContact CE1-NE2 3.34Å; Y108-H127 AromaticContact CZ-NE2 3.53Å; Y108-H127 PolarHBondContact OH-NE2 3.17Å; Y108-L128 HydrophobicContact CD1-CD2 4.25Å; Y108-L128 HydrophobicContact CE1-CD2 4.08Å; Y108-T222 HydrophobicContact CD1-CG2 4.41Å; Y108-T222 VanDerWaalsContact CD2-C 3.43Å; Y108-T222 WeakPolarHBondContact CD2-O 3.42Å; Y108-T222 VanDerWaalsContact CE2-C 3.46Å; Y108-T222 HydrophobicContact CG-CG2 4.43Å; Y108-H224 AromaticContact CD2-NE2 3.73Å; Y108-H224 AromaticContact CE2-CD2 3.72Å; Y108-H224 AromaticContact CE2-CE1 3.36Å; Y108-H224 WeakPolarHBondContact CE2-CE1 3.24Å; Y108-H224 AromaticContact CE2-CG 4Å; Y108-H224 AromaticContact CE2-ND1 3.82Å; Y108-H224 AromaticContact CE2-NE2 3.31Å; Y108-H224 VanDerWaalsContact CE2-NE2 3.31Å; Y108-H224 WeakPolarHBondContact CE2-NE2 3.41Å; Y108-H224 AromaticContact CZ-CE1 3.58Å; Y108-H224 AromaticContact CZ-NE2 3.94Å; Y108-L245 VanDerWaalsContact O-CD2 3.27Å; Y108-L245 WeakPolarHBondContact O-CD2 3.35Å
109V92.9Very high93.2Very high1 Ų128 Ų281%0.00613%0.132CC..  trans-130.9146.9178.8-53.40000110.9L56 N111 L114 I115 Y124 I464L56-V109 HydrophobicContact CD2-CG1 4.19Å; V109-N111 WeakPolarHBondContact CG2-O 3.39Å; V109-L114 HydrophobicContact CB-CD1 4.17Å; V109-I115 HydrophobicContact CG2-CD1 4.25Å; V109-I115 HydrophobicContact CG2-CG1 4.3Å; V109-Y124 HydrophobicContact CG2-CE1 4.07Å; V109-Y124 PolarHBondContact N-OH 2.92Å; V109-Y124 PolarHBondContact O-OH 3.08Å; V109-I464 HydrophobicContact CB-CD1 4.39Å; V109-I464 HydrophobicContact CG1-CD1 3.3Å
110E91.9Very high93.8Very high41 Ų4127.7 Ų27.719%0.19213%0.131CC..SBendtrans-74.7-21.5178-74.8-171.6155.300113.6L245 R246 L323E110-L245 HydrophobicContact CG-CB 4.45Å; E110-L245 HydrophobicContact CG-CD1 3.9Å; E110-L245 HydrophobicContact CG-CD2 4.49Å; E110-R246 IonicContact OE1-CZ 3.12Å; E110-R246 IonicContact OE1-NE 3.96Å; E110-R246 PolarHBondContact OE1-NE 2.88Å; E110-R246 IonicContact OE1-NH2 2.75Å; E110-R246 PolarHBondContact OE1-NH2 2.8Å; E110-L323 HydrophobicContact CB-CD2 4.11Å
111N92.1Very high94Very high9 Ų924.5 Ų24.55%0.04811%0.113CC..  trans-143.3130.4-177.3-168.6-40.9000111.1V109 R113 L114 L323 E330V109-N111 WeakPolarHBondContact CG2-O 3.39Å; N111-R113 PolarHBondContact O-N 2.73Å; N111-R113 WeakPolarHBondContact OD1-CB 3.45Å; N111-R113 PolarHBondContact OD1-N 2.87Å; N111-L114 WeakPolarHBondContact O-CB 3.49Å; N111-L114 WeakPolarHBondContact O-CG 3.4Å; N111-L114 PolarHBondContact O-N 3.2Å; N111-L323 HydrophobicContact CB-CD2 4.5Å; N111-E330 VanDerWaalsContact ND2-CD 3.31Å; N111-E330 PolarHBondContact ND2-OE1 2.89Å; N111-E330 PolarHBondContact ND2-OE2 3.38Å
112G92.7Very high94.1Very high0 Ų028.1 Ų28.10%013%0.127CC..G310 helixtrans-67.5-16.1-178.700000115L114 I115 L209G112-L114 PolarHBondContact O-N 3.17Å; G112-I115 PolarHBondContact O-N 3.14Å; G112-I115 VanDerWaalsContact O-N 3.13Å; G112-L209 WeakPolarHBondContact O-CD2 3.48Å
113R91.4Very high94.2Very high64 Ų6427.5 Ų27.524%0.24212%0.123CC..G310 helixtrans-65.3-19.7174.4-68-169.9-174.5-131.916.2112.3N111 I115 L209 V326 E330 E333 E459N111-R113 PolarHBondContact O-N 2.73Å; N111-R113 WeakPolarHBondContact OD1-CB 3.45Å; N111-R113 PolarHBondContact OD1-N 2.87Å; R113-I115 PolarHBondContact O-N 2.93Å; R113-L209 HydrophobicContact CB-CD2 4.42Å; R113-L209 HydrophobicContact CG-CD1 4.17Å; R113-L209 HydrophobicContact CG-CD2 3.87Å; R113-L209 VanDerWaalsContact N-CD2 3.28Å; R113-V326 HydrophobicContact CB-CG1 4.47Å; R113-E330 IonicContact NE-OE1 3.7Å; R113-E333 IonicContact CZ-OE2 2.67Å; R113-E333 IonicContact NH1-OE2 3.71Å; R113-E333 IonicContact NH2-OE1 3.5Å; R113-E333 IonicContact NH2-OE2 2.81Å; R113-E333 PolarHBondContact NH2-OE2 3.07Å; R113-E459 IonicContact CZ-OE1 2.7Å; R113-E459 IonicContact CZ-OE2 3.06Å; R113-E459 IonicContact NH1-OE1 3.99Å; R113-E459 PolarHBondContact NH1-OE1 3.38Å; R113-E459 IonicContact NH1-OE2 3.38Å; R113-E459 PolarHBondContact NH1-OE2 2.84Å
114L90.6Very high94.2Very high0 Ų027.4 Ų27.40%012%0.123CC..G310 helixtrans-70.6-14.7174-62.1179.5000113.9V109 N111 G112 L319 V322 L323 V326 H463 I464V109-L114 HydrophobicContact CB-CD1 4.17Å; N111-L114 WeakPolarHBondContact O-CB 3.49Å; N111-L114 WeakPolarHBondContact O-CG 3.4Å; N111-L114 PolarHBondContact O-N 3.2Å; G112-L114 PolarHBondContact O-N 3.17Å; L114-L319 HydrophobicContact CD1-CD1 4.34Å; L114-L319 HydrophobicContact CD1-CD2 3.84Å; L114-L319 HydrophobicContact CD2-CD2 4.34Å; L114-V322 HydrophobicContact CD2-CG1 3.24Å; L114-L323 HydrophobicContact CD1-CD2 3.69Å; L114-L323 HydrophobicContact CD1-CG 4.19Å; L114-V326 HydrophobicContact CD2-CG2 3.93Å; L114-H463 CarbonylContact O-C 3.59Å; L114-H463 WeakPolarHBondContact O-CA 3.24Å; L114-I464 HydrophobicContact CB-CD1 3.97Å; L114-I464 HydrophobicContact CB-CG1 4.14Å; L114-I464 HydrophobicContact CD1-CD1 4.45Å; L114-I464 PolarHBondContact O-N 3.16Å
115I92.5Very high94.3Very high0 Ų025.7 Ų25.70%012%0.116CC..  trans-97.5111.2175.4-45.5-176.8000106.3D53 L56 V109 G112 R113 A120 R121 Y124D53-I115 HydrophobicContact CB-CG2 4.29Å; L56-I115 HydrophobicContact CD1-CB 4.37Å; L56-I115 HydrophobicContact CD1-CD1 3.91Å; L56-I115 HydrophobicContact CD1-CG1 3.68Å; L56-I115 HydrophobicContact CD1-CG2 4.09Å; V109-I115 HydrophobicContact CG2-CD1 4.25Å; V109-I115 HydrophobicContact CG2-CG1 4.3Å; G112-I115 PolarHBondContact O-N 3.14Å; G112-I115 VanDerWaalsContact O-N 3.13Å; R113-I115 PolarHBondContact O-N 2.93Å; I115-A120 HydrophobicContact CG2-CB 3.66Å; I115-R121 HydrophobicContact CB-CB 4.38Å; I115-R121 HydrophobicContact CG2-CB 4.18Å; I115-R121 PolarHBondContact O-NE 3.01Å; I115-R121 PolarHBondContact O-NH2 3.25Å; I115-Y124 HydrophobicContact CD1-CD1 3.67Å; I115-Y124 HydrophobicContact CD1-CD2 4Å; I115-Y124 HydrophobicContact CD1-CE1 4.21Å; I115-Y124 HydrophobicContact CD1-CG 3.56Å
116S89.4Confident94.3Very high55 Ų5528.1 Ų28.139%0.38513%0.126SC..  trans-72.9-44.1-176.573.30000111.5D53 R118 R121D53-S116 PolarHBondContact OD1-OG 2.72Å; D53-S116 WeakPolarHBondContact OD2-CA 3.23Å; D53-S116 PolarHBondContact OD2-N 2.98Å; D53-S116 PolarHBondContact OD2-OG 2.94Å; S116-R118 PolarHBondContact O-N 2.92Å; S116-R121 PolarHBondContact O-NH2 2.95Å; S116-R121 VanDerWaalsContact O-NH2 3.14Å
117D92.6Very high94.5Very high19 Ų1927.1 Ų27.110%0.10212%0.121CC..  trans-74.6122.6-174.9173.524.7000111.3L51 K52 D53 V119 A120 R121L51-D117 WeakPolarHBondContact CA-OD2 3.19Å; K52-D117 HydrophobicContact CB-CB 4.15Å; K52-D117 PolarHBondContact N-OD2 2.84Å; D53-D117 HydrophobicContact CB-CB 4.22Å; D53-D117 PolarHBondContact OD2-N 3.47Å; D117-V119 PolarHBondContact O-N 2.98Å; D117-V119 PolarHBondContact OD1-N 3.39Å; D117-A120 HydrophobicContact CB-CB 3.83Å; D117-A120 PolarHBondContact O-N 3.12Å; D117-A120 WeakPolarHBondContact OD2-CB 3.48Å; D117-A120 PolarHBondContact OD2-N 3.32Å; D117-A120 VanDerWaalsContact OD2-N 3.08Å; D117-R121 WeakPolarHBondContact O-CB 3.1Å; D117-R121 PolarHBondContact O-N 3.35Å
118R92.9Very high94.6Very high124 Ų12426.6 Ų26.647%0.46812%0.119SC..Hα-helixtrans-59.8-33177.1-61.1-174.1-175.9-170.12.5111.2S116 Y122 D457S116-R118 PolarHBondContact O-N 2.92Å; R118-Y122 PolarHBondContact O-N 2.92Å; R118-D457 IonicContact NH2-OD1 2.68Å
119V95.6Very high94.8Very high48 Ų4826.3 Ų26.329%0.29112%0.118SC..Hα-helixtrans-74.1-48.3179.5-178.50000111.3L49 L51 D117 R121 Y122 Y123L49-V119 WeakPolarHBondContact O-CG1 3.5Å; L51-V119 HydrophobicContact CB-CG1 4.26Å; D117-V119 PolarHBondContact O-N 2.98Å; D117-V119 PolarHBondContact OD1-N 3.39Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 3.42Å; V119-Y122 WeakPolarHBondContact O-CB 3.43Å; V119-Y122 PolarHBondContact O-N 3.16Å; V119-Y123 HydrophobicContact CG1-CD2 3.93Å; V119-Y123 HydrophobicContact CG1-CE2 3.86Å; V119-Y123 WeakPolarHBondContact O-CD2 3.02Å; V119-Y123 PolarHBondContact O-N 2.64Å; V119-Y123 VanDerWaalsContact O-N 3.09Å
120A95.7Very high94.9Very high0 Ų028.7 Ų28.70%013%0.128CC..Hα-helixtrans-54-46.4170.200000111.7L51 D53 F57 I115 D117 Y122 Y123 Y124L51-A120 HydrophobicContact CD1-CB 4.38Å; L51-A120 HydrophobicContact CD2-CB 4.1Å; L51-A120 HydrophobicContact CG-CB 3.96Å; D53-A120 HydrophobicContact CB-CB 3.76Å; F57-A120 HydrophobicContact CE2-CB 4.02Å; F57-A120 WeakPolarHBondContact CZ-O 3.46Å; I115-A120 HydrophobicContact CG2-CB 3.66Å; D117-A120 HydrophobicContact CB-CB 3.83Å; D117-A120 PolarHBondContact O-N 3.12Å; D117-A120 WeakPolarHBondContact OD2-CB 3.48Å; D117-A120 PolarHBondContact OD2-N 3.32Å; D117-A120 VanDerWaalsContact OD2-N 3.08Å; A120-Y122 VanDerWaalsContact C-N 3.32Å; A120-Y122 PolarHBondContact O-N 2.81Å; A120-Y123 PolarHBondContact O-N 2.64Å; A120-Y124 VanDerWaalsContact O-CB 3.28Å; A120-Y124 WeakPolarHBondContact O-CB 3.34Å; A120-Y124 PolarHBondContact O-N 2.67Å
121R96.3Very high95.2Very high23 Ų2328.3 Ų28.39%0.08713%0.126CC..Hα-helixtrans-59.6-40.8178.3-166.7-173.4-57.5129.311.6112.4I115 S116 D117 V119 Y124 Y125 S205 H208 I212I115-R121 HydrophobicContact CB-CB 4.38Å; I115-R121 HydrophobicContact CG2-CB 4.18Å; I115-R121 PolarHBondContact O-NE 3.01Å; I115-R121 PolarHBondContact O-NH2 3.25Å; S116-R121 PolarHBondContact O-NH2 2.95Å; S116-R121 VanDerWaalsContact O-NH2 3.14Å; D117-R121 WeakPolarHBondContact O-CB 3.1Å; D117-R121 PolarHBondContact O-N 3.35Å; V119-R121 VanDerWaalsContact C-N 3.3Å; V119-R121 PolarHBondContact O-N 3.42Å; R121-Y124 PolarHBondContact O-N 2.76Å; R121-Y125 VanDerWaalsContact O-CB 3.31Å; R121-Y125 WeakPolarHBondContact O-CB 3.44Å; R121-Y125 PolarHBondContact O-N 3.12Å; R121-S205 PolarHBondContact NH1-OG 2.66Å; R121-H208 HydrophobicContact CG-CB 4.45Å; R121-I212 HydrophobicContact CG-CD1 3.76Å
122Y96.9Very high95.5Very high76 Ų7628 Ų2830%0.29812%0.124SC..Hα-helixtrans-62-49.3175.2168.8-94.9000112.5R118 V119 A120 Y124 Y125 W126 H208R118-Y122 PolarHBondContact O-N 2.92Å; V119-Y122 WeakPolarHBondContact O-CB 3.43Å; V119-Y122 PolarHBondContact O-N 3.16Å; A120-Y122 VanDerWaalsContact C-N 3.32Å; A120-Y122 PolarHBondContact O-N 2.81Å; Y122-Y124 VanDerWaalsContact C-N 3.33Å; Y122-Y124 PolarHBondContact O-N 3.02Å; Y122-Y125 WeakPolarHBondContact O-CB 3.22Å; Y122-Y125 PolarHBondContact O-N 3.08Å; Y122-W126 AromaticContact CD2-CD1 3.86Å; Y122-W126 AromaticContact CD2-NE1 3.93Å; Y122-W126 AromaticContact CE1-CD1 3.73Å; Y122-W126 AromaticContact CE2-CD1 3.49Å; Y122-W126 VanDerWaalsContact CE2-CD1 3.49Å; Y122-W126 AromaticContact CE2-NE1 3.17Å; Y122-W126 AromaticContact CZ-CD1 3.42Å; Y122-W126 VanDerWaalsContact CZ-CD1 3.42Å; Y122-W126 AromaticContact CZ-NE1 3.22Å; Y122-W126 PolarHBondContact O-N 3.34Å; Y122-W126 PolarHBondContact OH-NE1 3.12Å; Y122-H208 AromaticContact CD2-CE1 3.88Å
123Y97.9Very high95.7Very high25 Ų2530.7 Ų30.710%0.09814%0.139CC..Hα-helixtrans-68.3-32.2178.6-78.8-66.3000113L22 P23 L49 L51 V119 A120 H127L22-Y123 HydrophobicContact CB-CE1 4.35Å; L22-Y123 HydrophobicContact CD1-CE1 4.15Å; P23-Y123 HydrophobicContact CB-CD1 4.31Å; P23-Y123 VanDerWaalsContact CB-O 3.26Å; P23-Y123 WeakPolarHBondContact CB-O 3.17Å; P23-Y123 HydrophobicContact CG-CD1 4.13Å; L49-Y123 HydrophobicContact CB-CE2 4.27Å; L49-Y123 HydrophobicContact CD1-CD2 4.33Å; L49-Y123 HydrophobicContact CD1-CE2 3.99Å; L49-Y123 HydrophobicContact CD2-CE2 4.09Å; L49-Y123 WeakPolarHBondContact CD2-OH 3.4Å; L49-Y123 HydrophobicContact CG-CE2 4.34Å; L51-Y123 HydrophobicContact CD1-CD2 3.99Å; V119-Y123 HydrophobicContact CG1-CD2 3.93Å; V119-Y123 HydrophobicContact CG1-CE2 3.86Å; V119-Y123 WeakPolarHBondContact O-CD2 3.02Å; V119-Y123 PolarHBondContact O-N 2.64Å; V119-Y123 VanDerWaalsContact O-N 3.09Å; A120-Y123 PolarHBondContact O-N 2.64Å; Y123-H127 PolarHBondContact O-N 3.15Å
124Y98.2Very high95.9Very high0 Ų033.6 Ų33.60%016%0.158CC..Hα-helixtrans-67.2-45.1173.8-174.6-88.4000111.2A105 Y108 V109 I115 A120 R121 Y122 W126 H127 L128 I212A105-Y124 HydrophobicContact CB-CD2 3.63Å; A105-Y124 HydrophobicContact CB-CE2 3.82Å; Y108-Y124 WeakPolarHBondContact CA-OH 3.45Å; Y108-Y124 HydrophobicContact CD1-CE2 4.21Å; V109-Y124 HydrophobicContact CG2-CE1 4.07Å; V109-Y124 PolarHBondContact N-OH 2.92Å; V109-Y124 PolarHBondContact O-OH 3.08Å; I115-Y124 HydrophobicContact CD1-CD1 3.67Å; I115-Y124 HydrophobicContact CD1-CD2 4Å; I115-Y124 HydrophobicContact CD1-CE1 4.21Å; I115-Y124 HydrophobicContact CD1-CG 3.56Å; A120-Y124 VanDerWaalsContact O-CB 3.28Å; A120-Y124 WeakPolarHBondContact O-CB 3.34Å; A120-Y124 PolarHBondContact O-N 2.67Å; R121-Y124 PolarHBondContact O-N 2.76Å; Y122-Y124 VanDerWaalsContact C-N 3.33Å; Y122-Y124 PolarHBondContact O-N 3.02Å; Y124-W126 PolarHBondContact O-N 2.95Å; Y124-H127 PolarHBondContact O-N 3.09Å; Y124-L128 HydrophobicContact CD1-CD1 3.99Å; Y124-L128 HydrophobicContact CD1-CG 4.36Å; Y124-L128 HydrophobicContact CE1-CD1 3.47Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.47Å; Y124-L128 HydrophobicContact CE1-CG 4.03Å; Y124-L128 PolarHBondContact O-N 3.35Å; Y124-I212 HydrophobicContact CD1-CD1 3.83Å; Y124-I212 HydrophobicContact CD1-CG1 3.9Å; Y124-I212 HydrophobicContact CD1-CG2 4.35Å; Y124-I212 HydrophobicContact CE1-CD1 4.35Å; Y124-I212 HydrophobicContact CE1-CG1 4.09Å; Y124-I212 HydrophobicContact CE1-CG2 3.77Å
125Y98.3Very high96.2Very high0 Ų033.7 Ų33.70%016%0.159CC..Hα-helixtrans-55-48.8171.3158.3-104.5000112R121 Y122 H127 L128 R129 A151 H208 Y211R121-Y125 VanDerWaalsContact O-CB 3.31Å; R121-Y125 WeakPolarHBondContact O-CB 3.44Å; R121-Y125 PolarHBondContact O-N 3.12Å; Y122-Y125 WeakPolarHBondContact O-CB 3.22Å; Y122-Y125 PolarHBondContact O-N 3.08Å; Y125-H127 VanDerWaalsContact C-N 3.34Å; Y125-H127 PolarHBondContact O-N 3.26Å; Y125-L128 PolarHBondContact O-N 3.31Å; Y125-L128 VanDerWaalsContact O-N 3.11Å; Y125-R129 HydrophobicContact CD2-CG 4.38Å; Y125-R129 HydrophobicContact CE1-CG 4.35Å; Y125-R129 HydrophobicContact CE2-CG 3.95Å; Y125-R129 PolarHBondContact O-N 3.28Å; Y125-R129 PolarHBondContact OH-NH1 2.82Å; Y125-R129 VanDerWaalsContact OH-NH1 3.12Å; Y125-A151 WeakPolarHBondContact OH-CA 3.24Å; Y125-A151 WeakPolarHBondContact OH-CB 3.34Å; Y125-H208 AromaticContact CD1-CD2 3.24Å; Y125-H208 WeakPolarHBondContact CD1-CD2 3.45Å; Y125-H208 AromaticContact CD1-NE2 3.45Å; Y125-H208 WeakPolarHBondContact CD1-NE2 3.41Å; Y125-H208 HydrophobicContact CD2-CB 4.49Å; Y125-H208 AromaticContact CD2-CD2 3.74Å; Y125-H208 AromaticContact CE1-CD2 3.39Å; Y125-H208 WeakPolarHBondContact CE1-CD2 3.34Å; Y125-H208 AromaticContact CE1-NE2 3.45Å; Y125-H208 WeakPolarHBondContact CE1-NE2 3.47Å; Y125-H208 AromaticContact CE2-CD2 3.9Å; Y125-H208 HydrophobicContact CG-CB 4.34Å; Y125-H208 AromaticContact CG-CD2 3.41Å; Y125-H208 VanDerWaalsContact CG-CD2 3.41Å; Y125-H208 AromaticContact CZ-CD2 3.73Å; Y125-Y211 AromaticContact CD2-CD1 3.49Å; Y125-Y211 HydrophobicContact CD2-CD1 3.49Å; Y125-Y211 VanDerWaalsContact CD2-CD1 3.49Å; Y125-Y211 HydrophobicContact CD2-CD2 4.37Å; Y125-Y211 HydrophobicContact CD2-CE1 4.08Å; Y125-Y211 AromaticContact CD2-CG 3.68Å; Y125-Y211 HydrophobicContact CD2-CG 3.68Å; Y125-Y211 AromaticContact CE2-CD1 3.63Å; Y125-Y211 HydrophobicContact CE2-CD1 3.63Å; Y125-Y211 AromaticContact CE2-CD2 3.7Å; Y125-Y211 HydrophobicContact CE2-CD2 3.7Å; Y125-Y211 HydrophobicContact CE2-CE1 4.04Å; Y125-Y211 HydrophobicContact CE2-CE2 4.11Å; Y125-Y211 AromaticContact CE2-CG 3.46Å; Y125-Y211 HydrophobicContact CE2-CG 3.46Å; Y125-Y211 VanDerWaalsContact CE2-CG 3.46Å
126W97.9Very high96.2Very high51 Ų5139.2 Ų39.219%0.19319%0.185CC..Hα-helixtrans-62.2-37.3177.1-90.2103.1000113.8P23 N24 Y122 Y124 L128 R129 K130P23-W126 HydrophobicContact CB-CB 3.81Å; N24-W126 HydrophobicContact CB-CB 4.25Å; N24-W126 HydrophobicContact CB-CD2 3.71Å; N24-W126 HydrophobicContact CB-CE3 4.18Å; N24-W126 HydrophobicContact CB-CG 3.72Å; Y122-W126 AromaticContact CD2-CD1 3.86Å; Y122-W126 AromaticContact CD2-NE1 3.93Å; Y122-W126 AromaticContact CE1-CD1 3.73Å; Y122-W126 AromaticContact CE2-CD1 3.49Å; Y122-W126 VanDerWaalsContact CE2-CD1 3.49Å; Y122-W126 AromaticContact CE2-NE1 3.17Å; Y122-W126 AromaticContact CZ-CD1 3.42Å; Y122-W126 VanDerWaalsContact CZ-CD1 3.42Å; Y122-W126 AromaticContact CZ-NE1 3.22Å; Y122-W126 PolarHBondContact O-N 3.34Å; Y122-W126 PolarHBondContact OH-NE1 3.12Å; Y124-W126 PolarHBondContact O-N 2.95Å; W126-L128 VanDerWaalsContact C-N 3.32Å; W126-L128 PolarHBondContact O-N 3.29Å; W126-R129 VanDerWaalsContact CZ2-NH1 3.3Å; W126-R129 PolarHBondContact O-N 3.39Å; W126-K130 PolarHBondContact O-N 3.22Å
127H98.1Very high96.4Very high3 Ų336.8 Ų36.81%0.01417%0.168CC..Hα-helixtrans-62.6-42.3173.3173.6112.8000110.6P23 R104 A105 Y108 Y123 Y124 Y125 K130 Q131P23-H127 HydrophobicContact CB-CB 4.03Å; P23-H127 HydrophobicContact CG-CB 4.33Å; R104-H127 PolarHBondContact NE-CE1 3.2Å; R104-H127 VanDerWaalsContact NE-CE1 3.3Å; R104-H127 PolarHBondContact NE-ND1 3.34Å; R104-H127 PolarHBondContact NH2-CE1 3.01Å; A105-H127 HydrophobicContact CB-CB 4.27Å; A105-H127 PolarHBondContact N-CE1 3.26Å; A105-H127 PolarHBondContact N-ND1 3.23Å; A105-H127 VanDerWaalsContact N-ND1 3.15Å; A105-H127 PolarHBondContact O-CE1 2.86Å; Y108-H127 AromaticContact CE1-CD2 3.77Å; Y108-H127 AromaticContact CE1-NE2 3.34Å; Y108-H127 VanDerWaalsContact CE1-NE2 3.34Å; Y108-H127 WeakPolarHBondContact CE1-NE2 3.34Å; Y108-H127 AromaticContact CZ-NE2 3.53Å; Y108-H127 PolarHBondContact OH-NE2 3.17Å; Y123-H127 PolarHBondContact O-N 3.15Å; Y124-H127 PolarHBondContact O-N 3.09Å; Y125-H127 VanDerWaalsContact C-N 3.34Å; Y125-H127 PolarHBondContact O-N 3.26Å; H127-K130 PolarHBondContact O-N 2.89Å; H127-Q131 PolarHBondContact O-N 3.48Å
128L98.3Very high96.3Very high1 Ų140.2 Ų40.21%0.00519%0.186CC..Hα-helixtrans-66.2-40.3176.3-67.7-177.7000112.7Y108 Y124 Y125 W126 K130 Q131 V132 Y211 I212 C215 V221 T222Y108-L128 HydrophobicContact CD1-CD2 4.25Å; Y108-L128 HydrophobicContact CE1-CD2 4.08Å; Y124-L128 HydrophobicContact CD1-CD1 3.99Å; Y124-L128 HydrophobicContact CD1-CG 4.36Å; Y124-L128 HydrophobicContact CE1-CD1 3.47Å; Y124-L128 VanDerWaalsContact CE1-CD1 3.47Å; Y124-L128 HydrophobicContact CE1-CG 4.03Å; Y124-L128 PolarHBondContact O-N 3.35Å; Y125-L128 PolarHBondContact O-N 3.31Å; Y125-L128 VanDerWaalsContact O-N 3.11Å; W126-L128 VanDerWaalsContact C-N 3.32Å; W126-L128 PolarHBondContact O-N 3.29Å; L128-K130 VanDerWaalsContact C-N 3.26Å; L128-K130 PolarHBondContact O-N 3.34Å; L128-Q131 CarbonylContact O-C 3.58Å; L128-Q131 WeakPolarHBondContact O-CA 3.13Å; L128-Q131 PolarHBondContact O-N 3.37Å; L128-V132 WeakPolarHBondContact O-CG2 3.34Å; L128-V132 PolarHBondContact O-N 2.89Å; L128-Y211 HydrophobicContact CB-CE1 4.29Å; L128-I212 HydrophobicContact CD1-CB 4.31Å; L128-I212 HydrophobicContact CD1-CG1 4.01Å; L128-I212 HydrophobicContact CD1-CG2 4.27Å; L128-C215 HydrophobicContact CB-CB 4.46Å; L128-C215 HydrophobicContact CD1-CB 3.82Å; L128-V221 HydrophobicContact CD2-CG1 4.16Å; L128-T222 HydrophobicContact CD2-CG2 3.95Å
129R97.9Very high96.2Very high12 Ų1241.6 Ų41.65%0.04520%0.197CC..Hα-helixtrans-51.2-48172.4-68.7179.481.3149.58.4111.5Y125 W126 Q131 V132 L133 D155 Y174 Y211Y125-R129 HydrophobicContact CD2-CG 4.38Å; Y125-R129 HydrophobicContact CE1-CG 4.35Å; Y125-R129 HydrophobicContact CE2-CG 3.95Å; Y125-R129 PolarHBondContact O-N 3.28Å; Y125-R129 PolarHBondContact OH-NH1 2.82Å; Y125-R129 VanDerWaalsContact OH-NH1 3.12Å; W126-R129 VanDerWaalsContact CZ2-NH1 3.3Å; W126-R129 PolarHBondContact O-N 3.39Å; R129-Q131 VanDerWaalsContact C-N 3.28Å; R129-Q131 PolarHBondContact O-N 3.22Å; R129-V132 PolarHBondContact O-N 3.4Å; R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.09Å; R129-D155 IonicContact CZ-OD1 2.78Å; R129-D155 IonicContact CZ-OD2 3.75Å; R129-D155 IonicContact NH1-OD1 3.89Å; R129-D155 PolarHBondContact NH1-OD1 3.06Å; R129-D155 IonicContact NH1-OD2 3.49Å; R129-D155 PolarHBondContact NH1-OD2 2.9Å; R129-D155 IonicContact NH2-OD2 3.64Å; R129-D155 PolarHBondContact NH2-OD2 3.12Å; R129-Y174 VanDerWaalsContact NH2-CE1 3.32Å; R129-Y211 WeakPolarHBondContact CA-OH 3.2Å; R129-Y211 HydrophobicContact CG-CE1 3.98Å; R129-Y211 HydrophobicContact CG-CE2 4.49Å
130K96.6Very high96.2Very high51 Ų5143.2 Ų43.222%0.22220%0.198CC..Hα-helixtrans-62.6-32176.8-73.6-179.4169.3172.90113.3L22 P23 D25 W126 H127 L128 L134L22-K130 PolarHBondContact O-NZ 3.47Å; P23-K130 VanDerWaalsContact O-CD 3.23Å; P23-K130 WeakPolarHBondContact O-CD 3.28Å; P23-K130 WeakPolarHBondContact O-CE 3.39Å; P23-K130 PolarHBondContact O-NZ 3.04Å; D25-K130 WeakPolarHBondContact OD1-CE 3.32Å; D25-K130 IonicContact OD1-NZ 2.78Å; D25-K130 PolarHBondContact OD1-NZ 3.13Å; D25-K130 WeakPolarHBondContact OD2-CE 3.48Å; D25-K130 IonicContact OD2-NZ 2.71Å; D25-K130 PolarHBondContact OD2-NZ 2.87Å; W126-K130 PolarHBondContact O-N 3.22Å; H127-K130 PolarHBondContact O-N 2.89Å; L128-K130 VanDerWaalsContact C-N 3.26Å; L128-K130 PolarHBondContact O-N 3.34Å; K130-L134 WeakPolarHBondContact O-CG 3.33Å
131Q97.3Very high96.2Very high34 Ų3443.8 Ų43.816%0.15920%0.201CC..Hα-helixtrans-75.6-38.5175-60.9-38-109.100111.4H127 L128 R129 L133 L134 S135 V221H127-Q131 PolarHBondContact O-N 3.48Å; L128-Q131 CarbonylContact O-C 3.58Å; L128-Q131 WeakPolarHBondContact O-CA 3.13Å; L128-Q131 PolarHBondContact O-N 3.37Å; R129-Q131 VanDerWaalsContact C-N 3.28Å; R129-Q131 PolarHBondContact O-N 3.22Å; Q131-L133 PolarHBondContact O-N 3.28Å; Q131-L134 PolarHBondContact O-N 3.04Å; Q131-L134 VanDerWaalsContact O-N 3.14Å; Q131-S135 PolarHBondContact O-N 2.8Å; Q131-V221 HydrophobicContact CB-CG1 3.91Å; Q131-V221 WeakPolarHBondContact CB-O 3.46Å
132V98.3Very high96.2Very high1 Ų148.3 Ų48.31%0.00622%0.223CC..Hα-helixtrans-59.1-46.1174.3171.40000111.3L128 R129 L134 S135 Y144 L147 P176 Y211 C215 V221L128-V132 WeakPolarHBondContact O-CG2 3.34Å; L128-V132 PolarHBondContact O-N 2.89Å; R129-V132 PolarHBondContact O-N 3.4Å; V132-L134 PolarHBondContact O-N 3.21Å; V132-L134 VanDerWaalsContact O-N 3.14Å; V132-S135 VanDerWaalsContact O-CB 3.28Å; V132-S135 WeakPolarHBondContact O-CB 3.5Å; V132-S135 PolarHBondContact O-N 2.99Å; V132-Y144 HydrophobicContact CG1-CD1 3.81Å; V132-Y144 HydrophobicContact CG1-CE1 4.12Å; V132-L147 HydrophobicContact CG1-CD1 4.07Å; V132-L147 HydrophobicContact CG2-CD1 4.01Å; V132-P176 WeakPolarHBondContact O-CG 3.48Å; V132-Y211 HydrophobicContact CG2-CE1 4.37Å; V132-C215 WeakPolarHBondContact CG2-SG 3.42Å; V132-V221 HydrophobicContact CG2-CG1 3.91Å; V132-V221 HydrophobicContact CG2-CG2 4.06Å
133L97.5Very high96.3Very high58 Ų5844.8 Ų44.830%0.30421%0.209SC..Hα-helixtrans-61.7-23177.9-64.9178.8000113.9R129 Q131 F175R129-L133 WeakPolarHBondContact O-CG 3.45Å; R129-L133 PolarHBondContact O-N 3.09Å; Q131-L133 PolarHBondContact O-N 3.28Å; L133-F175 WeakPolarHBondContact CD2-O 3.22Å
134L95.4Very high96.3Very high124 Ų12443.6 Ų43.665%0.64921%0.205SC*.Hα-helixtrans-93.8-13.9176.9-64173.4000113.5K130 Q131 V132 Q136K130-L134 WeakPolarHBondContact O-CG 3.33Å; Q131-L134 PolarHBondContact O-N 3.04Å; Q131-L134 VanDerWaalsContact O-N 3.14Å; V132-L134 PolarHBondContact O-N 3.21Å; V132-L134 VanDerWaalsContact O-N 3.14Å; L134-Q136 PolarHBondContact O-NE2 3.11Å
135S96Very high96.3Very high3 Ų344.5 Ų44.52%0.02121%0.209CC..  trans-62.5145.3-173.7176.50000113Q131 V132 C137 Y144 W178 D220Q131-S135 PolarHBondContact O-N 2.8Å; V132-S135 VanDerWaalsContact O-CB 3.28Å; V132-S135 WeakPolarHBondContact O-CB 3.5Å; V132-S135 PolarHBondContact O-N 2.99Å; S135-C137 PolarHBondContact OG-N 2.89Å; S135-Y144 PolarHBondContact OG-OH 3.42Å; S135-W178 VanDerWaalsContact O-CD1 3.24Å; S135-W178 PolarHBondContact O-NE1 2.83Å; S135-D220 WeakPolarHBondContact CA-OD2 3.43Å; S135-D220 WeakPolarHBondContact CB-OD1 3.37Å; S135-D220 PolarHBondContact OG-OD1 3.03Å; S135-D220 PolarHBondContact OG-OD2 2.86Å; S135-D220 VanDerWaalsContact OG-OD2 3.14Å
136Q93.5Very high96.3Very high115 Ų11547 Ų4754%0.53722%0.221SC..  trans-121.819.5176.2-54.5-61.8-51.300111.2L134 I138 D220L134-Q136 PolarHBondContact O-NE2 3.11Å; Q136-I138 VanDerWaalsContact C-N 3.33Å; Q136-I138 PolarHBondContact O-N 3.15Å; Q136-D220 PolarHBondContact N-OD2 2.92Å
137C92.8Very high96.4Very high5 Ų544.5 Ų44.53%0.03421%0.212CC..  trans-72.785.9174.5-177.30000109.9S135 Q139 Y144 W178 L218 D220S135-C137 PolarHBondContact OG-N 2.89Å; C137-Q139 VanDerWaalsContact C-N 3.3Å; C137-Q139 PolarHBondContact O-N 3.29Å; C137-Y144 WeakPolarHBondContact CB-OH 3.26Å; C137-Y144 PolarHBondContact N-OH 3.15Å; C137-Y144 WeakPolarHBondContact O-CE2 3.46Å; C137-Y144 PolarHBondContact O-OH 3.37Å; C137-W178 WeakPolarHBondContact O-CZ2 3.43Å; C137-L218 HydrophobicContact CB-CD2 4.13Å; C137-D220 PolarHBondContact N-OD2 3.26Å
138I91.4Very high96.4Very high91 Ų9144.4 Ų44.447%0.46721%0.212SC..G310 helixtrans-72.3-24.5-176.2-66.2164000112.1Q136 R140 W178Q136-I138 VanDerWaalsContact C-N 3.33Å; Q136-I138 PolarHBondContact O-N 3.15Å; I138-R140 VanDerWaalsContact C-N 3.27Å; I138-R140 PolarHBondContact O-N 3.16Å; I138-W178 HydrophobicContact CB-CH2 4.34Å; I138-W178 HydrophobicContact CG1-CD2 4.27Å; I138-W178 HydrophobicContact CG1-CE3 4.27Å; I138-W178 HydrophobicContact CG1-CH2 4.25Å; I138-W178 HydrophobicContact CG1-CZ2 4.22Å; I138-W178 HydrophobicContact CG1-CZ3 4.27Å; I138-W178 HydrophobicContact CG2-CZ3 4.4Å
139Q91.4Very high96.4Very high152 Ų15244.4 Ų44.471%0.7121%0.212SC*.G310 helixtrans-71-18.7-174-64.380.9-6.100113.8C137C137-Q139 VanDerWaalsContact C-N 3.3Å; C137-Q139 PolarHBondContact O-N 3.29Å
140R95.1Very high96.4Very high83 Ų8344.5 Ų44.531%0.31321%0.212SC..G310 helixtrans-121.953179.9-68.9178.6175.4-99.814111.3I138 E142 A143 Y144 Q217 L218I138-R140 VanDerWaalsContact C-N 3.27Å; I138-R140 PolarHBondContact O-N 3.16Å; R140-E142 WeakPolarHBondContact CA-OE1 3.4Å; R140-E142 PolarHBondContact O-N 2.89Å; R140-A143 HydrophobicContact CB-CB 4.21Å; R140-A143 WeakPolarHBondContact O-CB 3.26Å; R140-A143 PolarHBondContact O-N 3.47Å; R140-Y144 WeakPolarHBondContact O-CD2 3.38Å; R140-Y144 VanDerWaalsContact O-CE2 3.27Å; R140-Y144 WeakPolarHBondContact O-CE2 3.42Å; R140-Q217 VanDerWaalsContact CD-O 3.32Å; R140-Q217 WeakPolarHBondContact CD-O 3.36Å; R140-Q217 PolarHBondContact NE-O 2.88Å; R140-L218 HydrophobicContact CB-CD2 3.75Å
141E96.2Very high96.5Very high12 Ų1242.1 Ų42.16%0.05620%0.203CC..Hα-helixtrans-61.1-33.2-176.7-174.7178.3-164.800112.6A143 Y144 F145 W178 K182 R183E141-A143 VanDerWaalsContact C-N 3.27Å; E141-A143 PolarHBondContact O-N 3.15Å; E141-Y144 WeakPolarHBondContact O-CD2 3.42Å; E141-Y144 PolarHBondContact O-N 3.3Å; E141-F145 HydrophobicContact CG-CE2 4.42Å; E141-F145 WeakPolarHBondContact O-CD2 3.38Å; E141-W178 HydrophobicContact CB-CH2 4.11Å; E141-W178 HydrophobicContact CG-CH2 4.04Å; E141-W178 HydrophobicContact CG-CZ3 4.14Å; E141-K182 WeakPolarHBondContact OE1-CD 3.32Å; E141-K182 IonicContact OE1-NZ 2.79Å; E141-K182 WeakPolarHBondContact OE2-CE 3.07Å; E141-K182 IonicContact OE2-NZ 3.53Å; E141-K182 PolarHBondContact OE2-NZ 2.9Å; E141-R183 VanDerWaalsContact CD-NH2 3.26Å; E141-R183 VanDerWaalsContact OE1-CG 3.31Å; E141-R183 WeakPolarHBondContact OE1-CG 3.48Å; E141-R183 IonicContact OE1-CZ 3.49Å; E141-R183 IonicContact OE1-NE 3.25Å; E141-R183 PolarHBondContact OE1-NE 2.9Å; E141-R183 IonicContact OE1-NH2 3.69Å; E141-R183 PolarHBondContact OE1-NH2 2.92Å; E141-R183 IonicContact OE2-CZ 2.75Å; E141-R183 IonicContact OE2-NE 2.68Å; E141-R183 IonicContact OE2-NH2 2.69Å; E141-R183 PolarHBondContact OE2-NH2 2.92Å
142E96.1Very high96.6Very high118 Ų11840.5 Ų40.555%0.55120%0.195SC*.Hα-helixtrans-61.6-31.9176.566.4-68.3160.300113.3R140 Y144 F145 L146R140-E142 WeakPolarHBondContact CA-OE1 3.4Å; R140-E142 PolarHBondContact O-N 2.89Å; E142-Y144 VanDerWaalsContact C-N 3.31Å; E142-Y144 PolarHBondContact O-N 3.33Å; E142-F145 PolarHBondContact O-N 3.15Å; E142-L146 PolarHBondContact O-N 2.96Å
143A97.8Very high96.6Very high1 Ų140.6 Ų40.61%0.00820%0.195CC..Hα-helixtrans-61.1-38.5179.400000111.9R140 E141 F145 L146 L147 E214 L218R140-A143 HydrophobicContact CB-CB 4.21Å; R140-A143 WeakPolarHBondContact O-CB 3.26Å; R140-A143 PolarHBondContact O-N 3.47Å; E141-A143 VanDerWaalsContact C-N 3.27Å; E141-A143 PolarHBondContact O-N 3.15Å; A143-F145 VanDerWaalsContact C-N 3.3Å; A143-F145 PolarHBondContact O-N 3.16Å; A143-L146 PolarHBondContact O-N 2.78Å; A143-L147 WeakPolarHBondContact O-CB 3.45Å; A143-L147 WeakPolarHBondContact O-CG 3.22Å; A143-L147 PolarHBondContact O-N 2.65Å; A143-E214 HydrophobicContact CB-CG 4.33Å; A143-E214 VanDerWaalsContact CB-OE1 3.28Å; A143-E214 WeakPolarHBondContact CB-OE1 3.43Å; A143-L218 HydrophobicContact CB-CD2 4.03Å
144Y98.4Very high96.6Very high0 Ų038.6 Ų38.60%019%0.188CC..Hα-helixtrans-66.1-31.7179.3-54.5-87.5000112.9V132 S135 C137 R140 E141 E142 A148 F175 P176 W178 V179 L218V132-Y144 HydrophobicContact CG1-CD1 3.81Å; V132-Y144 HydrophobicContact CG1-CE1 4.12Å; S135-Y144 PolarHBondContact OG-OH 3.42Å; C137-Y144 WeakPolarHBondContact CB-OH 3.26Å; C137-Y144 PolarHBondContact N-OH 3.15Å; C137-Y144 WeakPolarHBondContact O-CE2 3.46Å; C137-Y144 PolarHBondContact O-OH 3.37Å; R140-Y144 WeakPolarHBondContact O-CD2 3.38Å; R140-Y144 VanDerWaalsContact O-CE2 3.27Å; R140-Y144 WeakPolarHBondContact O-CE2 3.42Å; E141-Y144 WeakPolarHBondContact O-CD2 3.42Å; E141-Y144 PolarHBondContact O-N 3.3Å; E142-Y144 VanDerWaalsContact C-N 3.31Å; E142-Y144 PolarHBondContact O-N 3.33Å; Y144-A148 VanDerWaalsContact O-CB 3.28Å; Y144-A148 WeakPolarHBondContact O-CB 3.26Å; Y144-A148 PolarHBondContact O-N 2.96Å; Y144-F175 WeakPolarHBondContact O-CE1 3.28Å; Y144-P176 HydrophobicContact CD1-CG 3.41Å; Y144-P176 VanDerWaalsContact CD1-CG 3.41Å; Y144-P176 HydrophobicContact CE1-CG 3.35Å; Y144-P176 HydrophobicContact CG-CG 4.22Å; Y144-W178 HydrophobicContact CD2-CH2 4.38Å; Y144-W178 HydrophobicContact CD2-CZ2 4.16Å; Y144-W178 AromaticContact CE2-CH2 3.95Å; Y144-W178 HydrophobicContact CE2-CH2 3.95Å; Y144-W178 AromaticContact CE2-CZ2 3.47Å; Y144-W178 HydrophobicContact CE2-CZ2 3.47Å; Y144-W178 VanDerWaalsContact CE2-CZ2 3.47Å; Y144-W178 AromaticContact CZ-CZ2 3.72Å; Y144-V179 HydrophobicContact CD2-CG2 4.16Å; Y144-V179 HydrophobicContact CG-CG2 4.16Å; Y144-L218 HydrophobicContact CE1-CD1 4.16Å; Y144-L218 HydrophobicContact CE2-CD2 4.47Å
145F98.5Very high96.7Very high20 Ų2035.5 Ų35.59%0.08817%0.172CC..Hα-helixtrans-68.6-39.8175.1-76.9-104.2000111E141 E142 A143 A149 F175 V179 R183 Y187 I188 I192 M195E141-F145 HydrophobicContact CG-CE2 4.42Å; E141-F145 WeakPolarHBondContact O-CD2 3.38Å; E142-F145 PolarHBondContact O-N 3.15Å; A143-F145 VanDerWaalsContact C-N 3.3Å; A143-F145 PolarHBondContact O-N 3.16Å; F145-A149 PolarHBondContact O-N 2.83Å; F145-A149 VanDerWaalsContact O-N 3.11Å; F145-F175 HydrophobicContact CD1-CZ 4.48Å; F145-F175 HydrophobicContact CD2-CE1 4.05Å; F145-F175 HydrophobicContact CE2-CE1 4.23Å; F145-F175 HydrophobicContact CG-CE1 4.18Å; F145-F175 HydrophobicContact CG-CZ 4.46Å; F145-V179 HydrophobicContact CE2-CG1 4Å; F145-R183 HydrophobicContact CE2-CG 4.49Å; F145-R183 HydrophobicContact CZ-CG 4.15Å; F145-Y187 HydrophobicContact CE1-CD1 4.21Å; F145-Y187 AromaticContact CE1-CE1 3.77Å; F145-Y187 HydrophobicContact CE1-CE1 3.77Å; F145-Y187 HydrophobicContact CZ-CD1 4.19Å; F145-Y187 AromaticContact CZ-CE1 3.82Å; F145-Y187 HydrophobicContact CZ-CE1 3.82Å; F145-I188 HydrophobicContact CZ-CG1 4.48Å; F145-I192 HydrophobicContact CB-CD1 4.12Å; F145-I192 HydrophobicContact CD1-CD1 3.56Å; F145-I192 HydrophobicContact CD1-CG1 4.33Å; F145-I192 HydrophobicContact CE1-CD1 4.34Å; F145-I192 HydrophobicContact CG-CD1 4.18Å; F145-M195 HydrophobicContact CB-CE 3.78Å; F145-M195 HydrophobicContact CB-SD 3.82Å; F145-M195 HydrophobicContact CD1-SD 4.21Å
146L98.3Very high96.7Very high51 Ų5139.2 Ų39.227%0.26719%0.191SC..Hα-helixtrans-69-44.7175.4-174.861000111.9E142 A143 A148 A149 F150 E214E142-L146 PolarHBondContact O-N 2.96Å; A143-L146 PolarHBondContact O-N 2.78Å; L146-A148 PolarHBondContact O-N 2.68Å; L146-A149 WeakPolarHBondContact O-CB 3.3Å; L146-A149 PolarHBondContact O-N 3.25Å; L146-A149 VanDerWaalsContact O-N 3.16Å; L146-F150 HydrophobicContact CD1-CE1 3.94Å; L146-F150 HydrophobicContact CD1-CE2 3.9Å; L146-F150 HydrophobicContact CD1-CZ 3.52Å; L146-F150 HydrophobicContact CD2-CE2 3.9Å; L146-F150 HydrophobicContact CD2-CZ 3.99Å; L146-F150 HydrophobicContact CG-CD2 4.14Å; L146-F150 HydrophobicContact CG-CE1 4.44Å; L146-F150 HydrophobicContact CG-CE2 3.48Å; L146-F150 VanDerWaalsContact CG-CE2 3.48Å; L146-F150 HydrophobicContact CG-CZ 3.64Å; L146-F150 WeakPolarHBondContact O-CD2 3.26Å; L146-F150 WeakPolarHBondContact O-CG 3.34Å; L146-F150 PolarHBondContact O-N 2.74Å; L146-E214 HydrophobicContact CD2-CG 4.27Å
147L98.8Very high96.9Very high0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-57.9-44.8173.8-72.2168.5000111.5V132 A143 A149 F150 A151 Y211 E214 C215 L218V132-L147 HydrophobicContact CG1-CD1 4.07Å; V132-L147 HydrophobicContact CG2-CD1 4.01Å; A143-L147 WeakPolarHBondContact O-CB 3.45Å; A143-L147 WeakPolarHBondContact O-CG 3.22Å; A143-L147 PolarHBondContact O-N 2.65Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 2.82Å; L147-F150 PolarHBondContact O-N 2.81Å; L147-A151 VanDerWaalsContact O-CB 3.32Å; L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.27Å; L147-Y211 HydrophobicContact CB-CD2 4.11Å; L147-Y211 HydrophobicContact CB-CE2 3.65Å; L147-Y211 HydrophobicContact CD2-CD1 3.95Å; L147-Y211 HydrophobicContact CD2-CD2 3.59Å; L147-Y211 HydrophobicContact CD2-CE1 4.03Å; L147-Y211 HydrophobicContact CD2-CE2 3.66Å; L147-Y211 HydrophobicContact CD2-CG 3.72Å; L147-Y211 HydrophobicContact CG-CD2 4.49Å; L147-Y211 HydrophobicContact CG-CE2 4.25Å; L147-Y211 VanDerWaalsContact O-CD2 3.3Å; L147-Y211 WeakPolarHBondContact O-CD2 3.38Å; L147-Y211 WeakPolarHBondContact O-CE2 3.5Å; L147-E214 HydrophobicContact CD1-CG 4.48Å; L147-E214 HydrophobicContact CD2-CB 3.77Å; L147-E214 HydrophobicContact CD2-CG 3.9Å; L147-E214 HydrophobicContact CG-CB 4.35Å; L147-E214 HydrophobicContact CG-CG 3.91Å; L147-C215 VanDerWaalsContact CD2-SG 3.58Å; L147-L218 HydrophobicContact CD1-CD1 3.72Å
148A98.7Very high97.1Very high1 Ų137.2 Ų37.21%0.00819%0.19CC..Hα-helixtrans-62.9-39175.700000112.5Y144 L146 A151 L152 F175 I192Y144-A148 VanDerWaalsContact O-CB 3.28Å; Y144-A148 WeakPolarHBondContact O-CB 3.26Å; Y144-A148 PolarHBondContact O-N 2.96Å; L146-A148 PolarHBondContact O-N 2.68Å; A148-A151 PolarHBondContact O-N 2.88Å; A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 2.55Å; A148-F175 HydrophobicContact CB-CD2 4.3Å; A148-F175 HydrophobicContact CB-CE1 4.16Å; A148-F175 HydrophobicContact CB-CE2 3.39Å; A148-F175 HydrophobicContact CB-CZ 3.3Å; A148-I192 HydrophobicContact CB-CD1 4.29Å
149A98.6Very high97.4Very high0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-66.2-43.2176.600000112.3F145 L146 L147 Q153 M195 Q199F145-A149 PolarHBondContact O-N 2.83Å; F145-A149 VanDerWaalsContact O-N 3.11Å; L146-A149 WeakPolarHBondContact O-CB 3.3Å; L146-A149 PolarHBondContact O-N 3.25Å; L146-A149 VanDerWaalsContact O-N 3.16Å; L147-A149 VanDerWaalsContact C-N 3.34Å; L147-A149 PolarHBondContact O-N 2.82Å; A149-Q153 PolarHBondContact O-N 2.92Å; A149-Q153 VanDerWaalsContact O-N 3.11Å; A149-M195 HydrophobicContact CB-CB 3.84Å; A149-Q199 HydrophobicContact CB-CG 4.03Å
150F98.8Very high97.6Very high14 Ų1432.9 Ų32.96%0.06117%0.165CC..Hα-helixtrans-63.2-41.3172.5-65.2-35.1000112L146 L147 Q153 A154 Q199 K210 Y211 E214L146-F150 HydrophobicContact CD1-CE1 3.94Å; L146-F150 HydrophobicContact CD1-CE2 3.9Å; L146-F150 HydrophobicContact CD1-CZ 3.52Å; L146-F150 HydrophobicContact CD2-CE2 3.9Å; L146-F150 HydrophobicContact CD2-CZ 3.99Å; L146-F150 HydrophobicContact CG-CD2 4.14Å; L146-F150 HydrophobicContact CG-CE1 4.44Å; L146-F150 HydrophobicContact CG-CE2 3.48Å; L146-F150 VanDerWaalsContact CG-CE2 3.48Å; L146-F150 HydrophobicContact CG-CZ 3.64Å; L146-F150 WeakPolarHBondContact O-CD2 3.26Å; L146-F150 WeakPolarHBondContact O-CG 3.34Å; L146-F150 PolarHBondContact O-N 2.74Å; L147-F150 PolarHBondContact O-N 2.81Å; F150-Q153 PolarHBondContact O-N 3.19Å; F150-A154 PolarHBondContact O-N 2.91Å; F150-Q199 HydrophobicContact CD1-CG 4.22Å; F150-K210 HydrophobicContact CD1-CB 4.05Å; F150-K210 HydrophobicContact CD1-CD 4.28Å; F150-K210 HydrophobicContact CD2-CB 3.95Å; F150-K210 HydrophobicContact CE1-CB 3.76Å; F150-K210 HydrophobicContact CE1-CD 3.57Å; F150-K210 HydrophobicContact CE1-CG 4.3Å; F150-K210 HydrophobicContact CE2-CB 3.63Å; F150-K210 HydrophobicContact CG-CB 4.16Å; F150-K210 HydrophobicContact CZ-CB 3.55Å; F150-K210 HydrophobicContact CZ-CD 3.86Å; F150-K210 HydrophobicContact CZ-CG 4.27Å; F150-Y211 HydrophobicContact CB-CD2 4.1Å; F150-E214 HydrophobicContact CE2-CB 4.4Å
151A98.6Very high97.5Very high2 Ų239.5 Ų39.52%0.01719%0.19CC..Hα-helixtrans-66.9-39.8179.500000112.6Y125 L147 A148 Q153 A154 D155 Y174 Y211Y125-A151 WeakPolarHBondContact OH-CA 3.24Å; Y125-A151 WeakPolarHBondContact OH-CB 3.34Å; L147-A151 VanDerWaalsContact O-CB 3.32Å; L147-A151 WeakPolarHBondContact O-CB 3.46Å; L147-A151 PolarHBondContact O-N 3.27Å; A148-A151 PolarHBondContact O-N 2.88Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 3.34Å; A151-A154 PolarHBondContact O-N 2.87Å; A151-D155 WeakPolarHBondContact O-CB 2.94Å; A151-D155 PolarHBondContact O-N 2.96Å; A151-Y174 HydrophobicContact CB-CD1 3.71Å; A151-Y174 HydrophobicContact CB-CE1 3.85Å; A151-Y211 HydrophobicContact CB-CD2 4.22Å; A151-Y211 HydrophobicContact CB-CE2 3.9Å
152L98.4Very high97.3Very high0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-63.1-37.6172.1-73.9169000112.3A148 D155 L156 Y168 F169 Y174 I192 H196A148-L152 WeakPolarHBondContact O-CG 3.45Å; A148-L152 PolarHBondContact O-N 2.55Å; L152-D155 PolarHBondContact O-N 2.84Å; L152-L156 HydrophobicContact CD2-CD1 3.8Å; L152-L156 WeakPolarHBondContact O-CB 3.23Å; L152-L156 PolarHBondContact O-N 3.18Å; L152-Y168 HydrophobicContact CD1-CE1 4.42Å; L152-F169 HydrophobicContact CD1-CD1 4.08Å; L152-F169 HydrophobicContact CD1-CE1 4.26Å; L152-F169 HydrophobicContact CD1-CG 4.27Å; L152-F169 HydrophobicContact CD2-CB 3.71Å; L152-F169 HydrophobicContact CD2-CD1 4.28Å; L152-F169 HydrophobicContact CD2-CG 3.92Å; L152-Y174 HydrophobicContact CD2-CE1 3.77Å; L152-Y174 HydrophobicContact CD2-CE2 4.11Å; L152-Y174 HydrophobicContact CG-CD1 4.29Å; L152-Y174 HydrophobicContact CG-CE1 3.88Å; L152-I192 HydrophobicContact CD1-CG2 3.27Å; L152-H196 HydrophobicContact CB-CB 4.36Å; L152-H196 HydrophobicContact CD1-CB 4.3Å
153Q98.4Very high97.1Very high2 Ų246 Ų461%0.00922%0.222CC..Hα-helixtrans-67.5-36.9175.4-174.267.422.700111.7A149 F150 A151 G157 N158 H196 Q199 L202 A207A149-Q153 PolarHBondContact O-N 2.92Å; A149-Q153 VanDerWaalsContact O-N 3.11Å; F150-Q153 PolarHBondContact O-N 3.19Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 3.34Å; Q153-G157 WeakPolarHBondContact O-CA 3.34Å; Q153-G157 PolarHBondContact O-N 3.18Å; Q153-N158 PolarHBondContact NE2-OD1 3.29Å; Q153-H196 PolarHBondContact N-CD2 3.31Å; Q153-H196 PolarHBondContact OE1-CD2 2.9Å; Q153-Q199 HydrophobicContact CB-CB 3.93Å; Q153-Q199 HydrophobicContact CG-CB 3.91Å; Q153-Q199 PolarHBondContact NE2-O 2.67Å; Q153-Q199 PolarHBondContact OE1-O 3.15Å; Q153-L202 HydrophobicContact CG-CB 4.05Å; Q153-L202 PolarHBondContact NE2-O 3.11Å; Q153-A207 HydrophobicContact CB-CB 4.28Å; Q153-A207 HydrophobicContact CG-CB 4.26Å
154A97.9Very high96.9Very high17 Ų1747 Ų4714%0.1423%0.227CC..Hα-helixtrans-68.7-42.1174.300000112.7F150 A151 A207F150-A154 PolarHBondContact O-N 2.91Å; A151-A154 PolarHBondContact O-N 2.87Å; A154-A207 HydrophobicContact CB-CB 3.94Å
155D96.9Very high96.5Very high59 Ų5953.8 Ų53.832%0.31626%0.257SS..Hα-helixtrans-81.1-35.1-174.2-67.3-16.7000113.2R129 A151 L152 Y174R129-D155 IonicContact CZ-OD1 2.78Å; R129-D155 IonicContact CZ-OD2 3.75Å; R129-D155 IonicContact NH1-OD1 3.89Å; R129-D155 PolarHBondContact NH1-OD1 3.06Å; R129-D155 IonicContact NH1-OD2 3.49Å; R129-D155 PolarHBondContact NH1-OD2 2.9Å; R129-D155 IonicContact NH2-OD2 3.64Å; R129-D155 PolarHBondContact NH2-OD2 3.12Å; A151-D155 WeakPolarHBondContact O-CB 2.94Å; A151-D155 PolarHBondContact O-N 2.96Å; L152-D155 PolarHBondContact O-N 2.84Å; D155-Y174 PolarHBondContact OD2-OH 2.99Å
156L96.8Very high96Very high80 Ų8056.2 Ų56.242%0.41929%0.287SS..Hα-helixtrans-123.7-9.1-168.5-52.4178.1000113.8L152 Y168L152-L156 HydrophobicContact CD2-CD1 3.8Å; L152-L156 WeakPolarHBondContact O-CB 3.23Å; L152-L156 PolarHBondContact O-N 3.18Å; L156-Y168 HydrophobicContact CD1-CD2 4.43Å; L156-Y168 HydrophobicContact CD1-CE2 3.5Å
157G96.8Very high95.6Very high27 Ų2762.9 Ų62.928%0.27831%0.314SS..  trans63.7-170.1-173.400000113.4Q153 F159 H196Q153-G157 WeakPolarHBondContact O-CA 3.34Å; Q153-G157 PolarHBondContact O-N 3.18Å; G157-F159 PolarHBondContact O-N 3.45Å; G157-H196 PolarHBondContact O-NE2 2.85Å
158N97.6Very high95.4Very high51 Ų5164.2 Ų64.227%0.27332%0.319SS..SBendtrans-43.3130.8-175.4-72.8-33.5000114.3Q153 K160 F200 A201Q153-N158 PolarHBondContact NE2-OD1 3.29Å; N158-K160 WeakPolarHBondContact O-CG 3.36Å; N158-K160 PolarHBondContact O-N 2.88Å; N158-F200 HydrophobicContact CB-CD2 4.01Å; N158-F200 HydrophobicContact CB-CE2 4.12Å; N158-F200 WeakPolarHBondContact OD1-CA 2.97Å; N158-A201 PolarHBondContact OD1-N 2.78Å
159F97.4Very high95.3Very high44 Ų4464.6 Ų64.619%0.19332%0.321CS..  trans-54.9124.3178.4-178.4-90.5000113.2G157 R161 H164 Y168 P193 H196 K197G157-F159 PolarHBondContact O-N 3.45Å; F159-R161 HydrophobicContact CE1-CB 4.18Å; F159-H164 WeakPolarHBondContact CA-ND1 3.21Å; F159-H164 HydrophobicContact CD2-CB 3.79Å; F159-H164 AromaticContact CD2-ND1 3.55Å; F159-H164 HydrophobicContact CE2-CB 3.39Å; F159-H164 HydrophobicContact CZ-CB 4.02Å; F159-Y168 HydrophobicContact CD2-CE1 4.39Å; F159-Y168 HydrophobicContact CE2-CE1 4.23Å; F159-P193 HydrophobicContact CE2-CB 3.94Å; F159-P193 HydrophobicContact CZ-CB 4.44Å; F159-H196 AromaticContact CD2-CE1 3.22Å; F159-H196 WeakPolarHBondContact CD2-CE1 3.34Å; F159-H196 AromaticContact CD2-ND1 3.7Å; F159-K197 HydrophobicContact CB-CB 3.98Å; F159-K197 HydrophobicContact CB-CG 4.4Å; F159-K197 HydrophobicContact CD1-CB 4.05Å; F159-K197 HydrophobicContact CD1-CG 4.11Å; F159-K197 HydrophobicContact CG-CB 4.01Å; F159-K197 HydrophobicContact CG-CG 4.48Å
160K95.4Very high95.2Very high109 Ų10968.6 Ų68.647%0.47434%0.339SS..  trans-125.1110.8179.4-74.3168.5-173.3177.60110.2N158 N162 K163 H164N158-K160 WeakPolarHBondContact O-CG 3.36Å; N158-K160 PolarHBondContact O-N 2.88Å; K160-N162 PolarHBondContact O-N 3.14Å; K160-K163 HydrophobicContact CB-CB 4.25Å; K160-K163 HydrophobicContact CB-CG 4.32Å; K160-K163 HydrophobicContact CD-CD 4.4Å; K160-K163 PolarHBondContact O-N 2.73Å; K160-H164 PolarHBondContact N-ND1 2.8Å; K160-H164 WeakPolarHBondContact O-CB 3.31Å; K160-H164 PolarHBondContact O-N 3.44Å
161R92.4Very high95.2Very high221 Ų22167.9 Ų67.983%0.83434%0.337SS*.THydrogen-bonded Turntrans-56.1-27.8-174.1-170.4176.4-174164.83.5114.5F159F159-R161 HydrophobicContact CE1-CB 4.18Å
162N93.2Very high95.1Very high125 Ų12571.7 Ų71.767%0.66835%0.354SS*.THydrogen-bonded Turntrans-86.2-6.8177.465.4-24.2000114.4K160 F165K160-N162 PolarHBondContact O-N 3.14Å; N162-F165 WeakPolarHBondContact O-CE1 3.38Å
163K91.7Very high95Very high141 Ų14174 Ų7461%0.61337%0.373SS*.THydrogen-bonded Turntrans-111.7-36.1172.6-63.5-166.3177.2-166.20111.9K160 F165K160-K163 HydrophobicContact CB-CB 4.25Å; K160-K163 HydrophobicContact CB-CG 4.32Å; K160-K163 HydrophobicContact CD-CD 4.4Å; K160-K163 PolarHBondContact O-N 2.73Å; K163-F165 PolarHBondContact O-N 2.88Å
164H94.1Very high95Very high24 Ų2475.1 Ų75.111%0.11138%0.377CS..SBendtrans-101.366.6-168.5-59.9175.5000110.7F159 K160 Y168 H196F159-H164 WeakPolarHBondContact CA-ND1 3.21Å; F159-H164 HydrophobicContact CD2-CB 3.79Å; F159-H164 AromaticContact CD2-ND1 3.55Å; F159-H164 HydrophobicContact CE2-CB 3.39Å; F159-H164 HydrophobicContact CZ-CB 4.02Å; K160-H164 PolarHBondContact N-ND1 2.8Å; K160-H164 WeakPolarHBondContact O-CB 3.31Å; K160-H164 PolarHBondContact O-N 3.44Å; H164-Y168 VanDerWaalsContact CA-CD2 3.45Å; H164-Y168 HydrophobicContact CB-CD1 4.15Å; H164-Y168 HydrophobicContact CB-CD2 3.44Å; H164-Y168 VanDerWaalsContact CB-CD2 3.44Å; H164-Y168 HydrophobicContact CB-CE1 4.07Å; H164-Y168 HydrophobicContact CB-CE2 3.35Å; H164-Y168 HydrophobicContact CB-CG 3.9Å; H164-Y168 AromaticContact CD2-CD2 3.9Å; H164-Y168 AromaticContact CD2-CE2 3.43Å; H164-Y168 VanDerWaalsContact CD2-CE2 3.43Å; H164-Y168 WeakPolarHBondContact CD2-CE2 3.23Å; H164-Y168 AromaticContact CG-CD2 3.7Å; H164-Y168 AromaticContact CG-CE2 3.15Å; H164-Y168 AromaticContact CG-CZ 3.64Å; H164-Y168 AromaticContact ND1-CE2 3.58Å; H164-Y168 AromaticContact ND1-CZ 3.67Å; H164-H196 AromaticContact CE1-NE2 2.97Å; H164-H196 PolarHBondContact CE1-NE2 2.92Å; H164-H196 AromaticContact ND1-CE1 3.66Å; H164-H196 AromaticContact ND1-NE2 3.2Å; H164-H196 PolarHBondContact ND1-NE2 2.79Å; H164-H196 VanDerWaalsContact ND1-NE2 3.2Å
165F89.3Confident95Very high142 Ų14274.5 Ų74.562%0.62337%0.371SS*.SBendtrans-141161.7-179.972.8-83.1000111N162 K163 K167N162-F165 WeakPolarHBondContact O-CE1 3.38Å; K163-F165 PolarHBondContact O-N 2.88Å; F165-K167 PolarHBondContact O-N 3.46Å
166G89.2Confident95.1Very high71 Ų7171.7 Ų71.773%0.73236%0.356SS*.SBendtrans65.7-122.9-17900000112Y168G166-Y168 PolarHBondContact O-N 3.07Å
167K89.1Confident95.1Very high190 Ų19074 Ų7483%0.82637%0.365SS*.SBendtrans-7669.2173.4-67.4-169.2177.1-170.10110.7F165F165-K167 PolarHBondContact O-N 3.46Å
168Y94.1Very high95.1Very high28 Ų2874.3 Ų74.311%0.1136%0.358CS..  trans-74.5-47.1-171.5172.9-142000112.5L152 L156 F159 H164 G166 P193 H196L152-Y168 HydrophobicContact CD1-CE1 4.42Å; L156-Y168 HydrophobicContact CD1-CD2 4.43Å; L156-Y168 HydrophobicContact CD1-CE2 3.5Å; F159-Y168 HydrophobicContact CD2-CE1 4.39Å; F159-Y168 HydrophobicContact CE2-CE1 4.23Å; H164-Y168 VanDerWaalsContact CA-CD2 3.45Å; H164-Y168 HydrophobicContact CB-CD1 4.15Å; H164-Y168 HydrophobicContact CB-CD2 3.44Å; H164-Y168 VanDerWaalsContact CB-CD2 3.44Å; H164-Y168 HydrophobicContact CB-CE1 4.07Å; H164-Y168 HydrophobicContact CB-CE2 3.35Å; H164-Y168 HydrophobicContact CB-CG 3.9Å; H164-Y168 AromaticContact CD2-CD2 3.9Å; H164-Y168 AromaticContact CD2-CE2 3.43Å; H164-Y168 VanDerWaalsContact CD2-CE2 3.43Å; H164-Y168 WeakPolarHBondContact CD2-CE2 3.23Å; H164-Y168 AromaticContact CG-CD2 3.7Å; H164-Y168 AromaticContact CG-CE2 3.15Å; H164-Y168 AromaticContact CG-CZ 3.64Å; H164-Y168 AromaticContact ND1-CE2 3.58Å; H164-Y168 AromaticContact ND1-CZ 3.67Å; G166-Y168 PolarHBondContact O-N 3.07Å; Y168-P193 HydrophobicContact CD1-CG 4.12Å; Y168-P193 HydrophobicContact CE1-CG 4.41Å; Y168-H196 AromaticContact CE1-CE1 3.36Å; Y168-H196 WeakPolarHBondContact CE1-CE1 3.27Å; Y168-H196 AromaticContact CZ-CE1 2.93Å; Y168-H196 AromaticContact CZ-ND1 3.84Å; Y168-H196 PolarHBondContact OH-CE1 2.8Å; Y168-H196 PolarHBondContact OH-ND1 2.9Å; Y168-H196 PolarHBondContact OH-NE2 2.86Å
169F97.1Very high95.1Very high10 Ų1071.9 Ų71.94%0.04435%0.345CS..  trans-153.1161.7174.270.1-83000109.7L152 P171 Y174 I188 L189 I192L152-F169 HydrophobicContact CD1-CD1 4.08Å; L152-F169 HydrophobicContact CD1-CE1 4.26Å; L152-F169 HydrophobicContact CD1-CG 4.27Å; L152-F169 HydrophobicContact CD2-CB 3.71Å; L152-F169 HydrophobicContact CD2-CD1 4.28Å; L152-F169 HydrophobicContact CD2-CG 3.92Å; F169-P171 HydrophobicContact CE2-CB 4.46Å; F169-P171 HydrophobicContact CE2-CG 3.96Å; F169-Y174 HydrophobicContact CB-CE2 3.97Å; F169-Y174 AromaticContact CD2-CD2 3.82Å; F169-Y174 HydrophobicContact CD2-CD2 3.82Å; F169-Y174 HydrophobicContact CD2-CE2 4.08Å; F169-Y174 HydrophobicContact CG-CE2 4.44Å; F169-I188 HydrophobicContact CE2-CG2 4.07Å; F169-I188 HydrophobicContact CZ-CG2 4.05Å; F169-L189 HydrophobicContact CD1-CD2 4.41Å; F169-L189 HydrophobicContact CE1-CD2 4.04Å; F169-L189 HydrophobicContact CE2-CD2 4.39Å; F169-L189 HydrophobicContact CZ-CD2 4.02Å; F169-L189 WeakPolarHBondContact O-CD2 3.46Å; F169-I192 HydrophobicContact CE1-CB 4.09Å; F169-I192 HydrophobicContact CE1-CG2 3.87Å; F169-I192 HydrophobicContact CE2-CG2 4.35Å; F169-I192 HydrophobicContact CZ-CB 3.7Å; F169-I192 HydrophobicContact CZ-CG1 4.27Å; F169-I192 HydrophobicContact CZ-CG2 3.65Å
170E97.1Very high95.2Very high83 Ų8370.4 Ų70.439%0.38834%0.339SS..  trans-103.4113.5178.8-48.9-59-179.900109.7E172 A173 Y174 R185E170-E172 PolarHBondContact O-N 2.9Å; E170-E172 VanDerWaalsContact O-N 3.07Å; E170-A173 WeakPolarHBondContact O-CB 2.98Å; E170-A173 PolarHBondContact O-N 3.41Å; E170-Y174 WeakPolarHBondContact O-CD2 3.17Å; E170-R185 IonicContact OE2-CZ 3.99Å; E170-R185 IonicContact OE2-NH1 3.69Å; E170-R185 IonicContact OE2-NH2 2.72Å; E170-R185 PolarHBondContact OE2-NH2 2.9Å
171P97.4Very high95.3Very high0 Ų069 Ų690%035%0.348CS..G310 helixtrans-53.7-30.8-174-33.340.4000115.4F169 A173 Y174 F175 I180 R185 I188 L189F169-P171 HydrophobicContact CE2-CB 4.46Å; F169-P171 HydrophobicContact CE2-CG 3.96Å; P171-A173 PolarHBondContact O-N 3.49Å; P171-Y174 PolarHBondContact O-N 3.2Å; P171-F175 HydrophobicContact CB-CD2 4.34Å; P171-F175 WeakPolarHBondContact O-CB 3.02Å; P171-F175 PolarHBondContact O-N 2.93Å; P171-I180 HydrophobicContact CB-CD1 4.13Å; P171-I180 HydrophobicContact CB-CG1 4.38Å; P171-R185 HydrophobicContact CG-CG 4.08Å; P171-I188 HydrophobicContact CB-CD1 4.35Å; P171-I188 HydrophobicContact CB-CG2 3.99Å; P171-I188 HydrophobicContact CG-CB 4.36Å; P171-I188 HydrophobicContact CG-CG2 3.97Å; P171-L189 HydrophobicContact CG-CD2 4.03Å; P171-L189 HydrophobicContact CG-CG 4Å
172E97.1Very high95.5Very high82 Ų8264 Ų6438%0.38333%0.332SS..G310 helixtrans-63.7-19.4179.4-58.974-163.600113.1E170 I180 R185E170-E172 PolarHBondContact O-N 2.9Å; E170-E172 VanDerWaalsContact O-N 3.07Å; E172-I180 HydrophobicContact CB-CD1 4.26Å; E172-I180 HydrophobicContact CG-CD1 3.86Å; E172-R185 IonicContact OE1-CZ 2.9Å; E172-R185 IonicContact OE1-NH1 3.47Å; E172-R185 PolarHBondContact OE1-NH1 2.84Å; E172-R185 IonicContact OE2-CZ 3.23Å; E172-R185 IonicContact OE2-NH1 2.64Å; E172-R185 PolarHBondContact OE2-NH1 3.38Å
173A96.9Very high95.7Very high48 Ų4862.8 Ų62.840%0.39732%0.318SS..G310 helixtrans-87.1-7.4174.500000114E170 P171E170-A173 WeakPolarHBondContact O-CB 2.98Å; E170-A173 PolarHBondContact O-N 3.41Å; P171-A173 PolarHBondContact O-N 3.49Å
174Y98.3Very high96Very high26 Ų2657.5 Ų57.510%0.10230%0.304CS..THydrogen-bonded Turntrans-128.7-21.2-173.9-61.4-92.2000113.9R129 A151 L152 D155 F169 E170 P171R129-Y174 VanDerWaalsContact NH2-CE1 3.32Å; A151-Y174 HydrophobicContact CB-CD1 3.71Å; A151-Y174 HydrophobicContact CB-CE1 3.85Å; L152-Y174 HydrophobicContact CD2-CE1 3.77Å; L152-Y174 HydrophobicContact CD2-CE2 4.11Å; L152-Y174 HydrophobicContact CG-CD1 4.29Å; L152-Y174 HydrophobicContact CG-CE1 3.88Å; D155-Y174 PolarHBondContact OD2-OH 2.99Å; F169-Y174 HydrophobicContact CB-CE2 3.97Å; F169-Y174 AromaticContact CD2-CD2 3.82Å; F169-Y174 HydrophobicContact CD2-CD2 3.82Å; F169-Y174 HydrophobicContact CD2-CE2 4.08Å; F169-Y174 HydrophobicContact CG-CE2 4.44Å; E170-Y174 WeakPolarHBondContact O-CD2 3.17Å; P171-Y174 PolarHBondContact O-N 3.2Å
175F98.3Very high96.1Very high3 Ų360.6 Ų60.61%0.01331%0.314CS..SBendtrans-122.5142.9-175.2-72.2-87.8000112.8L133 Y144 F145 A148 P171 V179 I180 I188 I192L133-F175 WeakPolarHBondContact CD2-O 3.22Å; Y144-F175 WeakPolarHBondContact O-CE1 3.28Å; F145-F175 HydrophobicContact CD1-CZ 4.48Å; F145-F175 HydrophobicContact CD2-CE1 4.05Å; F145-F175 HydrophobicContact CE2-CE1 4.23Å; F145-F175 HydrophobicContact CG-CE1 4.18Å; F145-F175 HydrophobicContact CG-CZ 4.46Å; A148-F175 HydrophobicContact CB-CD2 4.3Å; A148-F175 HydrophobicContact CB-CE1 4.16Å; A148-F175 HydrophobicContact CB-CE2 3.39Å; A148-F175 HydrophobicContact CB-CZ 3.3Å; P171-F175 HydrophobicContact CB-CD2 4.34Å; P171-F175 WeakPolarHBondContact O-CB 3.02Å; P171-F175 PolarHBondContact O-N 2.93Å; F175-V179 HydrophobicContact CB-CB 4.45Å; F175-V179 HydrophobicContact CD1-CB 4.13Å; F175-V179 HydrophobicContact CD1-CG1 3.72Å; F175-V179 HydrophobicContact CE1-CG1 4.29Å; F175-I180 HydrophobicContact CB-CD1 4.02Å; F175-I180 HydrophobicContact CB-CG1 3.69Å; F175-I188 HydrophobicContact CD1-CD1 4.42Å; F175-I188 HydrophobicContact CD2-CD1 4.23Å; F175-I188 HydrophobicContact CD2-CG2 3.78Å; F175-I188 HydrophobicContact CE2-CG2 3.36Å; F175-I188 HydrophobicContact CG-CD1 4.14Å; F175-I188 HydrophobicContact CZ-CG2 3.91Å; F175-I192 HydrophobicContact CE2-CD1 4.37Å; F175-I192 HydrophobicContact CE2-CG1 4.12Å; F175-I192 HydrophobicContact CZ-CD1 3.72Å; F175-I192 HydrophobicContact CZ-CG1 3.89Å
176P98Very high96.5Very high0 Ų060.6 Ų60.60%032%0.316CS..  trans-58.7145.5165.2-4.812.7000110.9V132 Y144 W178 V179 I180V132-P176 WeakPolarHBondContact O-CG 3.48Å; Y144-P176 HydrophobicContact CD1-CG 3.41Å; Y144-P176 VanDerWaalsContact CD1-CG 3.41Å; Y144-P176 HydrophobicContact CE1-CG 3.35Å; Y144-P176 HydrophobicContact CG-CG 4.22Å; P176-W178 HydrophobicContact CB-CG 4.41Å; P176-W178 PolarHBondContact O-N 2.87Å; P176-V179 HydrophobicContact CB-CG2 4.36Å; P176-V179 HydrophobicContact CG-CG2 3.85Å; P176-V179 PolarHBondContact O-N 3.43Å; P176-I180 PolarHBondContact O-N 3.34Å
177Q97.2Very high96.8Very high128 Ų12861.4 Ų61.460%0.59830%0.298SS*.Hα-helixtrans-55.2-31.2-177.5-173.759.270.500113.6A181Q177-A181 WeakPolarHBondContact O-CB 3.08Å; Q177-A181 PolarHBondContact O-N 3Å
178W96.6Very high97.2Very high34 Ų3452.3 Ų52.313%0.12926%0.259CS..Hα-helixtrans-70.1-33.6178.373-102.4000112.9S135 C137 I138 E141 Y144 P176 A181 K182S135-W178 VanDerWaalsContact O-CD1 3.24Å; S135-W178 PolarHBondContact O-NE1 2.83Å; C137-W178 WeakPolarHBondContact O-CZ2 3.43Å; I138-W178 HydrophobicContact CB-CH2 4.34Å; I138-W178 HydrophobicContact CG1-CD2 4.27Å; I138-W178 HydrophobicContact CG1-CE3 4.27Å; I138-W178 HydrophobicContact CG1-CH2 4.25Å; I138-W178 HydrophobicContact CG1-CZ2 4.22Å; I138-W178 HydrophobicContact CG1-CZ3 4.27Å; I138-W178 HydrophobicContact CG2-CZ3 4.4Å; E141-W178 HydrophobicContact CB-CH2 4.11Å; E141-W178 HydrophobicContact CG-CH2 4.04Å; E141-W178 HydrophobicContact CG-CZ3 4.14Å; Y144-W178 HydrophobicContact CD2-CH2 4.38Å; Y144-W178 HydrophobicContact CD2-CZ2 4.16Å; Y144-W178 AromaticContact CE2-CH2 3.95Å; Y144-W178 HydrophobicContact CE2-CH2 3.95Å; Y144-W178 AromaticContact CE2-CZ2 3.47Å; Y144-W178 HydrophobicContact CE2-CZ2 3.47Å; Y144-W178 VanDerWaalsContact CE2-CZ2 3.47Å; Y144-W178 AromaticContact CZ-CZ2 3.72Å; P176-W178 HydrophobicContact CB-CG 4.41Å; P176-W178 PolarHBondContact O-N 2.87Å; W178-A181 PolarHBondContact O-N 2.99Å; W178-K182 HydrophobicContact CE3-CD 4.35Å; W178-K182 HydrophobicContact CZ3-CD 4.07Å; W178-K182 WeakPolarHBondContact O-CB 3.45Å; W178-K182 PolarHBondContact O-N 3.47Å
179V97.9Very high97.4Very high0 Ų053 Ų530%026%0.264CS..Hα-helixtrans-68-43.9176-175.30000109.5Y144 F145 F175 P176 A181 K182 R183Y144-V179 HydrophobicContact CD2-CG2 4.16Å; Y144-V179 HydrophobicContact CG-CG2 4.16Å; F145-V179 HydrophobicContact CE2-CG1 4Å; F175-V179 HydrophobicContact CB-CB 4.45Å; F175-V179 HydrophobicContact CD1-CB 4.13Å; F175-V179 HydrophobicContact CD1-CG1 3.72Å; F175-V179 HydrophobicContact CE1-CG1 4.29Å; P176-V179 HydrophobicContact CB-CG2 4.36Å; P176-V179 HydrophobicContact CG-CG2 3.85Å; P176-V179 PolarHBondContact O-N 3.43Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.35Å; V179-K182 PolarHBondContact O-N 2.9Å; V179-R183 HydrophobicContact CG1-CG 4.36Å; V179-R183 WeakPolarHBondContact O-CB 3.43Å; V179-R183 PolarHBondContact O-N 3.45Å
180I98.1Very high97.3Very high13 Ų1361.7 Ų61.77%0.06730%0.296CS..Hα-helixtrans-61.8-43.2176.7-54.9175.2000110.5P171 E172 F175 P176 G184 I188P171-I180 HydrophobicContact CB-CD1 4.13Å; P171-I180 HydrophobicContact CB-CG1 4.38Å; E172-I180 HydrophobicContact CB-CD1 4.26Å; E172-I180 HydrophobicContact CG-CD1 3.86Å; F175-I180 HydrophobicContact CB-CD1 4.02Å; F175-I180 HydrophobicContact CB-CG1 3.69Å; P176-I180 PolarHBondContact O-N 3.34Å; I180-G184 WeakPolarHBondContact O-CA 3.38Å; I180-G184 PolarHBondContact O-N 3.48Å; I180-I188 HydrophobicContact CB-CD1 4.37Å; I180-I188 HydrophobicContact CG1-CD1 3.94Å
181A97.6Very high97.2Very high80 Ų8061 Ų6166%0.66129%0.293SS*.Hα-helixtrans-66.2-37.7176.500000112.9Q177 W178 V179Q177-A181 WeakPolarHBondContact O-CB 3.08Å; Q177-A181 PolarHBondContact O-N 3Å; W178-A181 PolarHBondContact O-N 2.99Å; V179-A181 VanDerWaalsContact C-N 3.34Å; V179-A181 PolarHBondContact O-N 3.35Å
182K97.4Very high97.3Very high115 Ų11561 Ų6150%0.529%0.293SS..Hα-helixtrans-75.7-40.9-178.6-176.8-179.8177.6-167.10113.3E141 W178 V179E141-K182 WeakPolarHBondContact OE1-CD 3.32Å; E141-K182 IonicContact OE1-NZ 2.79Å; E141-K182 WeakPolarHBondContact OE2-CE 3.07Å; E141-K182 IonicContact OE2-NZ 3.53Å; E141-K182 PolarHBondContact OE2-NZ 2.9Å; W178-K182 HydrophobicContact CE3-CD 4.35Å; W178-K182 HydrophobicContact CZ3-CD 4.07Å; W178-K182 WeakPolarHBondContact O-CB 3.45Å; W178-K182 PolarHBondContact O-N 3.47Å; V179-K182 PolarHBondContact O-N 2.9Å
183R97.5Very high97.2Very high100 Ų10058.2 Ų58.238%0.37728%0.282SS..Hα-helixtrans-98.8-25.4-174.3-66-70.5178.8151.6-0.4113.7E141 F145 V179 Y187E141-R183 VanDerWaalsContact CD-NH2 3.26Å; E141-R183 VanDerWaalsContact OE1-CG 3.31Å; E141-R183 WeakPolarHBondContact OE1-CG 3.48Å; E141-R183 IonicContact OE1-CZ 3.49Å; E141-R183 IonicContact OE1-NE 3.25Å; E141-R183 PolarHBondContact OE1-NE 2.9Å; E141-R183 IonicContact OE1-NH2 3.69Å; E141-R183 PolarHBondContact OE1-NH2 2.92Å; E141-R183 IonicContact OE2-CZ 2.75Å; E141-R183 IonicContact OE2-NE 2.68Å; E141-R183 IonicContact OE2-NH2 2.69Å; E141-R183 PolarHBondContact OE2-NH2 2.92Å; F145-R183 HydrophobicContact CE2-CG 4.49Å; F145-R183 HydrophobicContact CZ-CG 4.15Å; V179-R183 HydrophobicContact CG1-CG 4.36Å; V179-R183 WeakPolarHBondContact O-CB 3.43Å; V179-R183 PolarHBondContact O-N 3.45Å; R183-Y187 HydrophobicContact CB-CD1 3.91Å; R183-Y187 HydrophobicContact CB-CG 4.44Å; R183-Y187 HydrophobicContact CG-CD1 4.4Å; R183-Y187 WeakPolarHBondContact O-CB 3.43Å
184G97.6Very high97.2Very high31 Ų3160.7 Ų60.732%0.3229%0.288SS..  trans82.3142.3-173.400000112.8I180 E186 Y187 I188I180-G184 WeakPolarHBondContact O-CA 3.38Å; I180-G184 PolarHBondContact O-N 3.48Å; G184-E186 VanDerWaalsContact C-N 3.34Å; G184-E186 PolarHBondContact O-N 2.97Å; G184-Y187 WeakPolarHBondContact O-CB 3.32Å; G184-Y187 PolarHBondContact O-N 3.49Å; G184-Y187 VanDerWaalsContact O-N 3.16Å; G184-I188 PolarHBondContact O-N 3.03Å
185R97.3Very high97.2Very high88 Ų8861.9 Ų61.933%0.33230%0.296SS..Hα-helixtrans-54.8-45.4-178.7-172.2-177.9166.892.19.3113.1E170 P171 E172 Y187 I188 L189E170-R185 IonicContact OE2-CZ 3.99Å; E170-R185 IonicContact OE2-NH1 3.69Å; E170-R185 IonicContact OE2-NH2 2.72Å; E170-R185 PolarHBondContact OE2-NH2 2.9Å; P171-R185 HydrophobicContact CG-CG 4.08Å; E172-R185 IonicContact OE1-CZ 2.9Å; E172-R185 IonicContact OE1-NH1 3.47Å; E172-R185 PolarHBondContact OE1-NH1 2.84Å; E172-R185 IonicContact OE2-CZ 3.23Å; E172-R185 IonicContact OE2-NH1 2.64Å; E172-R185 PolarHBondContact OE2-NH1 3.38Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 2.91Å; R185-I188 PolarHBondContact O-N 2.76Å; R185-L189 HydrophobicContact CG-CD1 3.94Å; R185-L189 WeakPolarHBondContact O-CG 3.11Å; R185-L189 PolarHBondContact O-N 3.12Å
186E96.1Very high97.2Very high142 Ų14261.8 Ų61.866%0.66430%0.295SS*.Hα-helixtrans-62.9-34.4179.4-64.9-55.2115.400113.4G184 R190G184-E186 VanDerWaalsContact C-N 3.34Å; G184-E186 PolarHBondContact O-N 2.97Å; E186-R190 VanDerWaalsContact O-CB 3.32Å; E186-R190 WeakPolarHBondContact O-CB 3.03Å; E186-R190 PolarHBondContact O-N 3.24Å
187Y97.2Very high97.2Very high88 Ų8867.7 Ų67.735%0.34532%0.321SS..Hα-helixtrans-65.3-46.5175.6-179.3-89.6000110.6F145 R183 G184 R185 R190 H191F145-Y187 HydrophobicContact CE1-CD1 4.21Å; F145-Y187 AromaticContact CE1-CE1 3.77Å; F145-Y187 HydrophobicContact CE1-CE1 3.77Å; F145-Y187 HydrophobicContact CZ-CD1 4.19Å; F145-Y187 AromaticContact CZ-CE1 3.82Å; F145-Y187 HydrophobicContact CZ-CE1 3.82Å; R183-Y187 HydrophobicContact CB-CD1 3.91Å; R183-Y187 HydrophobicContact CB-CG 4.44Å; R183-Y187 HydrophobicContact CG-CD1 4.4Å; R183-Y187 WeakPolarHBondContact O-CB 3.43Å; G184-Y187 WeakPolarHBondContact O-CB 3.32Å; G184-Y187 PolarHBondContact O-N 3.49Å; G184-Y187 VanDerWaalsContact O-N 3.16Å; R185-Y187 VanDerWaalsContact C-N 3.32Å; R185-Y187 PolarHBondContact O-N 2.91Å; Y187-R190 PolarHBondContact O-N 3.24Å; Y187-H191 AromaticContact CD1-ND1 3.93Å; Y187-H191 AromaticContact CD2-CE1 3.38Å; Y187-H191 WeakPolarHBondContact CD2-CE1 3.37Å; Y187-H191 AromaticContact CD2-ND1 3.61Å; Y187-H191 AromaticContact CE1-ND1 3.91Å; Y187-H191 AromaticContact CE2-CE1 3.2Å; Y187-H191 WeakPolarHBondContact CE2-CE1 3.37Å; Y187-H191 AromaticContact CE2-ND1 3.57Å; Y187-H191 AromaticContact CE2-NE2 3.85Å; Y187-H191 AromaticContact CG-ND1 3.78Å; Y187-H191 AromaticContact CZ-CE1 3.74Å; Y187-H191 AromaticContact CZ-ND1 3.72Å; Y187-H191 PolarHBondContact O-N 3.48Å; Y187-H191 PolarHBondContact O-ND1 3.11Å
188I97.6Very high97.2Very high0 Ų067 Ų670%032%0.321CS..Hα-helixtrans-62.1-49.6179.9-64.4172.2000110.3F145 F169 P171 F175 I180 G184 R185 R190 H191 I192F145-I188 HydrophobicContact CZ-CG1 4.48Å; F169-I188 HydrophobicContact CE2-CG2 4.07Å; F169-I188 HydrophobicContact CZ-CG2 4.05Å; P171-I188 HydrophobicContact CB-CD1 4.35Å; P171-I188 HydrophobicContact CB-CG2 3.99Å; P171-I188 HydrophobicContact CG-CB 4.36Å; P171-I188 HydrophobicContact CG-CG2 3.97Å; F175-I188 HydrophobicContact CD1-CD1 4.42Å; F175-I188 HydrophobicContact CD2-CD1 4.23Å; F175-I188 HydrophobicContact CD2-CG2 3.78Å; F175-I188 HydrophobicContact CE2-CG2 3.36Å; F175-I188 HydrophobicContact CG-CD1 4.14Å; F175-I188 HydrophobicContact CZ-CG2 3.91Å; I180-I188 HydrophobicContact CB-CD1 4.37Å; I180-I188 HydrophobicContact CG1-CD1 3.94Å; G184-I188 PolarHBondContact O-N 3.03Å; R185-I188 PolarHBondContact O-N 2.76Å; I188-R190 VanDerWaalsContact C-N 3.26Å; I188-R190 PolarHBondContact O-N 3.4Å; I188-H191 PolarHBondContact O-N 2.99Å; I188-I192 HydrophobicContact CG2-CG1 3.87Å; I188-I192 WeakPolarHBondContact O-CB 3.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.21Å; I188-I192 PolarHBondContact O-N 2.86Å; I188-I192 VanDerWaalsContact O-N 3.08Å
189L96.7Very high97.2Very high42 Ų4266.5 Ų66.522%0.2232%0.32CS..Hα-helixtrans-60.6-31.3178.8-71.4170.3000113.2F169 P171 R185 P193F169-L189 HydrophobicContact CD1-CD2 4.41Å; F169-L189 HydrophobicContact CE1-CD2 4.04Å; F169-L189 HydrophobicContact CE2-CD2 4.39Å; F169-L189 HydrophobicContact CZ-CD2 4.02Å; F169-L189 WeakPolarHBondContact O-CD2 3.46Å; P171-L189 HydrophobicContact CG-CD2 4.03Å; P171-L189 HydrophobicContact CG-CG 4Å; R185-L189 HydrophobicContact CG-CD1 3.94Å; R185-L189 WeakPolarHBondContact O-CG 3.11Å; R185-L189 PolarHBondContact O-N 3.12Å; L189-P193 WeakPolarHBondContact O-CD 3.46Å; L189-P193 VanDerWaalsContact O-CG 3.29Å; L189-P193 WeakPolarHBondContact O-CG 3.48Å
190R95.3Very high97.1Very high193 Ų19373.1 Ų73.173%0.72835%0.35SS*.Hα-helixtrans-74.4-38176.5176175.7-77.7-174-3.2113.8E186 Y187 I188E186-R190 VanDerWaalsContact O-CB 3.32Å; E186-R190 WeakPolarHBondContact O-CB 3.03Å; E186-R190 PolarHBondContact O-N 3.24Å; Y187-R190 PolarHBondContact O-N 3.24Å; I188-R190 VanDerWaalsContact C-N 3.26Å; I188-R190 PolarHBondContact O-N 3.4Å
191H96.2Very high96.9Very high67 Ų6775.7 Ų75.731%0.3137%0.372SS..Hα-helixtrans-98.3-37.7-167.8-64.987.6000113.9Y187 I188 P193 N194Y187-H191 AromaticContact CD1-ND1 3.93Å; Y187-H191 AromaticContact CD2-CE1 3.38Å; Y187-H191 WeakPolarHBondContact CD2-CE1 3.37Å; Y187-H191 AromaticContact CD2-ND1 3.61Å; Y187-H191 AromaticContact CE1-ND1 3.91Å; Y187-H191 AromaticContact CE2-CE1 3.2Å; Y187-H191 WeakPolarHBondContact CE2-CE1 3.37Å; Y187-H191 AromaticContact CE2-ND1 3.57Å; Y187-H191 AromaticContact CE2-NE2 3.85Å; Y187-H191 AromaticContact CG-ND1 3.78Å; Y187-H191 AromaticContact CZ-CE1 3.74Å; Y187-H191 AromaticContact CZ-ND1 3.72Å; Y187-H191 PolarHBondContact O-N 3.48Å; Y187-H191 PolarHBondContact O-ND1 3.11Å; I188-H191 PolarHBondContact O-N 2.99Å; H191-P193 VanDerWaalsContact C-CD 3.41Å; H191-N194 PolarHBondContact O-N 3.36Å; H191-N194 VanDerWaalsContact O-N 3.14Å
192I97.7Very high96.8Very high0 Ų073.1 Ų73.10%035%0.348CS..Hα-helixtrans-61-32.7-177.2-67.7-62000115F145 A148 L152 F169 F175 I188 N194 M195 H196F145-I192 HydrophobicContact CB-CD1 4.12Å; F145-I192 HydrophobicContact CD1-CD1 3.56Å; F145-I192 HydrophobicContact CD1-CG1 4.33Å; F145-I192 HydrophobicContact CE1-CD1 4.34Å; F145-I192 HydrophobicContact CG-CD1 4.18Å; A148-I192 HydrophobicContact CB-CD1 4.29Å; L152-I192 HydrophobicContact CD1-CG2 3.27Å; F169-I192 HydrophobicContact CE1-CB 4.09Å; F169-I192 HydrophobicContact CE1-CG2 3.87Å; F169-I192 HydrophobicContact CE2-CG2 4.35Å; F169-I192 HydrophobicContact CZ-CB 3.7Å; F169-I192 HydrophobicContact CZ-CG1 4.27Å; F169-I192 HydrophobicContact CZ-CG2 3.65Å; F175-I192 HydrophobicContact CE2-CD1 4.37Å; F175-I192 HydrophobicContact CE2-CG1 4.12Å; F175-I192 HydrophobicContact CZ-CD1 3.72Å; F175-I192 HydrophobicContact CZ-CG1 3.89Å; I188-I192 HydrophobicContact CG2-CG1 3.87Å; I188-I192 WeakPolarHBondContact O-CB 3.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.21Å; I188-I192 PolarHBondContact O-N 2.86Å; I188-I192 VanDerWaalsContact O-N 3.08Å; I192-N194 PolarHBondContact O-N 3Å; I192-M195 HydrophobicContact CD1-SD 4.08Å; I192-M195 PolarHBondContact O-N 3.28Å; I192-M195 VanDerWaalsContact O-N 3.16Å; I192-H196 WeakPolarHBondContact O-CB 3.31Å; I192-H196 PolarHBondContact O-N 2.83Å
193P96.8Very high96.8Very high24 Ų2471 Ų7116%0.15634%0.344CS..Hα-helixtrans-56.6-32.6173.7-27.836.5000114.1F159 Y168 L189 H191 K197F159-P193 HydrophobicContact CE2-CB 3.94Å; F159-P193 HydrophobicContact CZ-CB 4.44Å; Y168-P193 HydrophobicContact CD1-CG 4.12Å; Y168-P193 HydrophobicContact CE1-CG 4.41Å; L189-P193 WeakPolarHBondContact O-CD 3.46Å; L189-P193 VanDerWaalsContact O-CG 3.29Å; L189-P193 WeakPolarHBondContact O-CG 3.48Å; H191-P193 VanDerWaalsContact C-CD 3.41Å; P193-K197 WeakPolarHBondContact O-CB 3.46Å; P193-K197 PolarHBondContact O-N 2.97Å; P193-K197 VanDerWaalsContact O-N 3.1Å
194N96.7Very high96.7Very high100 Ų10068.3 Ų68.354%0.53534%0.343SS..Hα-helixtrans-72.1-48.6175.3-64.3-34.7000110.7H191 I192 H196 K197 D198H191-N194 PolarHBondContact O-N 3.36Å; H191-N194 VanDerWaalsContact O-N 3.14Å; I192-N194 PolarHBondContact O-N 3Å; N194-H196 VanDerWaalsContact C-N 3.26Å; N194-H196 PolarHBondContact O-N 2.92Å; N194-K197 CarbonylContact O-C 3.59Å; N194-K197 WeakPolarHBondContact O-CA 3.32Å; N194-K197 VanDerWaalsContact O-CB 3.3Å; N194-K197 WeakPolarHBondContact O-CB 3.29Å; N194-K197 PolarHBondContact O-N 2.95Å; N194-D198 VanDerWaalsContact O-CG 3.23Å; N194-D198 PolarHBondContact O-N 3.07Å
195M97.8Very high96.6Very high52 Ų5268.3 Ų68.326%0.25634%0.339SS..Hα-helixtrans-62-34179.1-64.7-17664.900112.9F145 A149 I192 D198 Q199F145-M195 HydrophobicContact CB-CE 3.78Å; F145-M195 HydrophobicContact CB-SD 3.82Å; F145-M195 HydrophobicContact CD1-SD 4.21Å; A149-M195 HydrophobicContact CB-CB 3.84Å; I192-M195 HydrophobicContact CD1-SD 4.08Å; I192-M195 PolarHBondContact O-N 3.28Å; I192-M195 VanDerWaalsContact O-N 3.16Å; M195-D198 PolarHBondContact O-N 3.21Å; M195-Q199 WeakPolarHBondContact O-CG 3.21Å; M195-Q199 PolarHBondContact O-NE2 3.34Å
196H98.3Very high96.5Very high0 Ų067.9 Ų67.90%034%0.34CS..Hα-helixtrans-68.7-40.4172176.9-137.7000112.1L152 Q153 G157 F159 H164 Y168 I192 N194 D198 Q199L152-H196 HydrophobicContact CB-CB 4.36Å; L152-H196 HydrophobicContact CD1-CB 4.3Å; Q153-H196 PolarHBondContact N-CD2 3.31Å; Q153-H196 PolarHBondContact OE1-CD2 2.9Å; G157-H196 PolarHBondContact O-NE2 2.85Å; F159-H196 AromaticContact CD2-CE1 3.22Å; F159-H196 WeakPolarHBondContact CD2-CE1 3.34Å; F159-H196 AromaticContact CD2-ND1 3.7Å; H164-H196 AromaticContact CE1-NE2 2.97Å; H164-H196 PolarHBondContact CE1-NE2 2.92Å; H164-H196 AromaticContact ND1-CE1 3.66Å; H164-H196 AromaticContact ND1-NE2 3.2Å; H164-H196 PolarHBondContact ND1-NE2 2.79Å; H164-H196 VanDerWaalsContact ND1-NE2 3.2Å; Y168-H196 AromaticContact CE1-CE1 3.36Å; Y168-H196 WeakPolarHBondContact CE1-CE1 3.27Å; Y168-H196 AromaticContact CZ-CE1 2.93Å; Y168-H196 AromaticContact CZ-ND1 3.84Å; Y168-H196 PolarHBondContact OH-CE1 2.8Å; Y168-H196 PolarHBondContact OH-ND1 2.9Å; Y168-H196 PolarHBondContact OH-NE2 2.86Å; I192-H196 WeakPolarHBondContact O-CB 3.31Å; I192-H196 PolarHBondContact O-N 2.83Å; N194-H196 VanDerWaalsContact C-N 3.26Å; N194-H196 PolarHBondContact O-N 2.92Å; H196-D198 PolarHBondContact O-N 3.18Å; H196-Q199 WeakPolarHBondContact O-CB 3.49Å; H196-Q199 PolarHBondContact O-N 3Å
197K97.2Very high96.6Very high124 Ų12461.1 Ų61.154%0.53931%0.309SS..Hα-helixtrans-59.2-33.7171.8-173.9-158.6168.8-148.40111.8F159 P193 N194 Q199 F200F159-K197 HydrophobicContact CB-CB 3.98Å; F159-K197 HydrophobicContact CB-CG 4.4Å; F159-K197 HydrophobicContact CD1-CB 4.05Å; F159-K197 HydrophobicContact CD1-CG 4.11Å; F159-K197 HydrophobicContact CG-CB 4.01Å; F159-K197 HydrophobicContact CG-CG 4.48Å; P193-K197 WeakPolarHBondContact O-CB 3.46Å; P193-K197 PolarHBondContact O-N 2.97Å; P193-K197 VanDerWaalsContact O-N 3.1Å; N194-K197 CarbonylContact O-C 3.59Å; N194-K197 WeakPolarHBondContact O-CA 3.32Å; N194-K197 VanDerWaalsContact O-CB 3.3Å; N194-K197 WeakPolarHBondContact O-CB 3.29Å; N194-K197 PolarHBondContact O-N 2.95Å; K197-Q199 PolarHBondContact O-N 3.14Å; K197-F200 WeakPolarHBondContact O-CB 3.34Å; K197-F200 PolarHBondContact O-N 3.14Å
198D97.1Very high96.6Very high114 Ų11457.9 Ų57.961%0.6130%0.297SS*.THydrogen-bonded Turntrans-70.6-11.1175.7-55-30.1000113.1N194 M195 H196 F200N194-D198 VanDerWaalsContact O-CG 3.23Å; N194-D198 PolarHBondContact O-N 3.07Å; M195-D198 PolarHBondContact O-N 3.21Å; H196-D198 PolarHBondContact O-N 3.18Å; D198-F200 VanDerWaalsContact C-N 3.28Å
199Q97.6Very high96.5Very high23 Ų2359.2 Ų59.211%0.10730%0.304CS..THydrogen-bonded Turntrans-89.915.3172.9-52.6-37-58.100113.5A149 F150 Q153 M195 H196 K197 L202A149-Q199 HydrophobicContact CB-CG 4.03Å; F150-Q199 HydrophobicContact CD1-CG 4.22Å; Q153-Q199 HydrophobicContact CB-CB 3.93Å; Q153-Q199 HydrophobicContact CG-CB 3.91Å; Q153-Q199 PolarHBondContact NE2-O 2.67Å; Q153-Q199 PolarHBondContact OE1-O 3.15Å; M195-Q199 WeakPolarHBondContact O-CG 3.21Å; M195-Q199 PolarHBondContact O-NE2 3.34Å; H196-Q199 WeakPolarHBondContact O-CB 3.49Å; H196-Q199 PolarHBondContact O-N 3Å; K197-Q199 PolarHBondContact O-N 3.14Å; Q199-L202 HydrophobicContact CB-CD1 4.08Å; Q199-L202 WeakPolarHBondContact O-CB 3.3Å; Q199-L202 WeakPolarHBondContact O-CG 3.37Å; Q199-L202 PolarHBondContact O-N 2.9Å
200F95.4Very high96.6Very high140 Ų14061.4 Ų61.461%0.61431%0.311SS*.THydrogen-bonded Turntrans-54146-179-174.8-95.1000112.9N158 K197 D198 L202N158-F200 HydrophobicContact CB-CD2 4.01Å; N158-F200 HydrophobicContact CB-CE2 4.12Å; N158-F200 WeakPolarHBondContact OD1-CA 2.97Å; K197-F200 WeakPolarHBondContact O-CB 3.34Å; K197-F200 PolarHBondContact O-N 3.14Å; D198-F200 VanDerWaalsContact C-N 3.28Å; F200-L202 PolarHBondContact O-N 2.7Å
201A94.7Very high96.7Very high66 Ų6652.5 Ų52.555%0.54528%0.278SS..THydrogen-bonded Turntrans66.3-4.1-177.200000116.6N158 T203N158-A201 PolarHBondContact OD1-N 2.78Å; A201-T203 PolarHBondContact O-N 2.85Å
202L95.9Very high96.8Very high27 Ų2749.3 Ų49.314%0.14126%0.263CS..  trans-71128.7170.9-57.4-179.3000110.8Q153 Q199 F200 K210Q153-L202 HydrophobicContact CG-CB 4.05Å; Q153-L202 PolarHBondContact NE2-O 3.11Å; Q199-L202 HydrophobicContact CB-CD1 4.08Å; Q199-L202 WeakPolarHBondContact O-CB 3.3Å; Q199-L202 WeakPolarHBondContact O-CG 3.37Å; Q199-L202 PolarHBondContact O-N 2.9Å; F200-L202 PolarHBondContact O-N 2.7Å; L202-K210 HydrophobicContact CD1-CD 3.92Å; L202-K210 VanDerWaalsContact CD2-NZ 3.26Å
203T96.3Very high96.8Very high70 Ų7052.5 Ų52.543%0.42928%0.277SS..  trans-66.5159.5167.464.60000110.8A201 S205 E206 A207A201-T203 PolarHBondContact O-N 2.85Å; T203-S205 PolarHBondContact O-N 3.48Å; T203-E206 VanDerWaalsContact CB-OE2 3.27Å; T203-E206 WeakPolarHBondContact CB-OE2 3.33Å; T203-E206 VanDerWaalsContact CG2-OE2 3.31Å; T203-E206 WeakPolarHBondContact CG2-OE2 3.5Å; T203-E206 PolarHBondContact N-OE2 3.47Å; T203-E206 PolarHBondContact O-N 3.37Å; T203-E206 VanDerWaalsContact O-N 3.15Å; T203-E206 WeakPolarHBondContact OG1-CG 3.42Å; T203-E206 PolarHBondContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 3.3Å; T203-A207 WeakPolarHBondContact O-CB 3.44Å; T203-A207 PolarHBondContact O-N 3.28Å
204A96.1Very high96.8Very high43 Ų4353.3 Ų53.336%0.35528%0.279SS..Hα-helixtrans-58.2-33.4173.700000112.3A207 H208A204-A207 PolarHBondContact O-N 3.13Å; A204-H208 PolarHBondContact O-CD2 2.95Å; A204-H208 PolarHBondContact O-N 2.93Å; A204-H208 PolarHBondContact O-ND1 3.37Å
205S94.6Very high96.9Very high32 Ų3248.6 Ų48.622%0.22425%0.253CS..Hα-helixtrans-65.3-44.2175.4-179.20000112.3R121 T203 H208 L209R121-S205 PolarHBondContact NH1-OG 2.66Å; T203-S205 PolarHBondContact O-N 3.48Å; S205-H208 WeakPolarHBondContact O-CB 3.42Å; S205-H208 PolarHBondContact O-N 3.44Å; S205-L209 WeakPolarHBondContact O-CG 3.46Å; S205-L209 PolarHBondContact O-N 3.06Å
206E95.3Very high96.7Very high79 Ų7946.7 Ų46.737%0.36925%0.246SC..Hα-helixtrans-68.6-36.7176.1-68.3160.3119.600112.1T203 H208 L209 K210T203-E206 VanDerWaalsContact CB-OE2 3.27Å; T203-E206 WeakPolarHBondContact CB-OE2 3.33Å; T203-E206 VanDerWaalsContact CG2-OE2 3.31Å; T203-E206 WeakPolarHBondContact CG2-OE2 3.5Å; T203-E206 PolarHBondContact N-OE2 3.47Å; T203-E206 PolarHBondContact O-N 3.37Å; T203-E206 VanDerWaalsContact O-N 3.15Å; T203-E206 WeakPolarHBondContact OG1-CG 3.42Å; T203-E206 PolarHBondContact OG1-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 3.3Å; E206-H208 VanDerWaalsContact C-N 3.35Å; E206-L209 WeakPolarHBondContact O-CB 3.48Å; E206-L209 PolarHBondContact O-N 3.05Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 2.9Å
207A98Very high96.6Very high0 Ų050.1 Ų50.10%026%0.262CS..Hα-helixtrans-60.4-43.2172.300000111.4Q153 A154 T203 A204 L209 K210 Y211Q153-A207 HydrophobicContact CB-CB 4.28Å; Q153-A207 HydrophobicContact CG-CB 4.26Å; A154-A207 HydrophobicContact CB-CB 3.94Å; T203-A207 WeakPolarHBondContact O-CB 3.44Å; T203-A207 PolarHBondContact O-N 3.28Å; A204-A207 PolarHBondContact O-N 3.13Å; A207-L209 PolarHBondContact O-N 3.13Å; A207-K210 PolarHBondContact O-N 3.32Å; A207-Y211 VanDerWaalsContact O-CB 3.29Å; A207-Y211 WeakPolarHBondContact O-CB 3.28Å; A207-Y211 PolarHBondContact O-N 2.79Å
208H97.7Very high96.5Very high19 Ų1944.3 Ų44.39%0.08824%0.237CC..Hα-helixtrans-60.1-44.2171.2-60.2149.4000112.2R121 Y122 Y125 A204 S205 E206 Y211 I212R121-H208 HydrophobicContact CG-CB 4.45Å; Y122-H208 AromaticContact CD2-CE1 3.88Å; Y125-H208 AromaticContact CD1-CD2 3.24Å; Y125-H208 WeakPolarHBondContact CD1-CD2 3.45Å; Y125-H208 AromaticContact CD1-NE2 3.45Å; Y125-H208 WeakPolarHBondContact CD1-NE2 3.41Å; Y125-H208 HydrophobicContact CD2-CB 4.49Å; Y125-H208 AromaticContact CD2-CD2 3.74Å; Y125-H208 AromaticContact CE1-CD2 3.39Å; Y125-H208 WeakPolarHBondContact CE1-CD2 3.34Å; Y125-H208 AromaticContact CE1-NE2 3.45Å; Y125-H208 WeakPolarHBondContact CE1-NE2 3.47Å; Y125-H208 AromaticContact CE2-CD2 3.9Å; Y125-H208 HydrophobicContact CG-CB 4.34Å; Y125-H208 AromaticContact CG-CD2 3.41Å; Y125-H208 VanDerWaalsContact CG-CD2 3.41Å; Y125-H208 AromaticContact CZ-CD2 3.73Å; A204-H208 PolarHBondContact O-CD2 2.95Å; A204-H208 PolarHBondContact O-N 2.93Å; A204-H208 PolarHBondContact O-ND1 3.37Å; S205-H208 WeakPolarHBondContact O-CB 3.42Å; S205-H208 PolarHBondContact O-N 3.44Å; E206-H208 VanDerWaalsContact C-N 3.35Å; H208-Y211 PolarHBondContact O-N 3.32Å; H208-I212 WeakPolarHBondContact O-CB 3.49Å; H208-I212 WeakPolarHBondContact O-CD1 3.34Å; H208-I212 WeakPolarHBondContact O-CG1 3.38Å; H208-I212 PolarHBondContact O-N 3.25Å
209L96.3Very high96.3Very high28 Ų2843.8 Ų43.815%0.14723%0.234CC..Hα-helixtrans-59.5-47.9178.6-71.9174000111.9G112 R113 S205 E206 A207 I212 K213G112-L209 WeakPolarHBondContact O-CD2 3.48Å; R113-L209 HydrophobicContact CB-CD2 4.42Å; R113-L209 HydrophobicContact CG-CD1 4.17Å; R113-L209 HydrophobicContact CG-CD2 3.87Å; R113-L209 VanDerWaalsContact N-CD2 3.28Å; S205-L209 WeakPolarHBondContact O-CG 3.46Å; S205-L209 PolarHBondContact O-N 3.06Å; E206-L209 WeakPolarHBondContact O-CB 3.48Å; E206-L209 PolarHBondContact O-N 3.05Å; A207-L209 PolarHBondContact O-N 3.13Å; L209-I212 PolarHBondContact O-N 2.84Å; L209-K213 WeakPolarHBondContact O-CB 3.38Å; L209-K213 PolarHBondContact O-N 3.28Å; L209-K213 VanDerWaalsContact O-N 3.1Å
210K97.4Very high96.1Very high88 Ų8844.2 Ų44.238%0.38324%0.237SC..Hα-helixtrans-66.5-40.8178-66.9-173.7-176.5-1790112.1F150 L202 E206 A207 K213 E214F150-K210 HydrophobicContact CD1-CB 4.05Å; F150-K210 HydrophobicContact CD1-CD 4.28Å; F150-K210 HydrophobicContact CD2-CB 3.95Å; F150-K210 HydrophobicContact CE1-CB 3.76Å; F150-K210 HydrophobicContact CE1-CD 3.57Å; F150-K210 HydrophobicContact CE1-CG 4.3Å; F150-K210 HydrophobicContact CE2-CB 3.63Å; F150-K210 HydrophobicContact CG-CB 4.16Å; F150-K210 HydrophobicContact CZ-CB 3.55Å; F150-K210 HydrophobicContact CZ-CD 3.86Å; F150-K210 HydrophobicContact CZ-CG 4.27Å; L202-K210 HydrophobicContact CD1-CD 3.92Å; L202-K210 VanDerWaalsContact CD2-NZ 3.26Å; E206-K210 WeakPolarHBondContact O-CG 3.38Å; E206-K210 PolarHBondContact O-N 2.9Å; A207-K210 PolarHBondContact O-N 3.32Å; K210-K213 PolarHBondContact O-N 3.24Å; K210-E214 PolarHBondContact O-N 3.31Å
211Y98.6Very high96.2Very high6 Ų637.6 Ų37.62%0.02421%0.208CC..Hα-helixtrans-60.1-46.5175.1-168-79.8000111.9Y125 L128 R129 V132 L147 F150 A151 A207 H208 K213 E214 C215Y125-Y211 AromaticContact CD2-CD1 3.49Å; Y125-Y211 HydrophobicContact CD2-CD1 3.49Å; Y125-Y211 VanDerWaalsContact CD2-CD1 3.49Å; Y125-Y211 HydrophobicContact CD2-CD2 4.37Å; Y125-Y211 HydrophobicContact CD2-CE1 4.08Å; Y125-Y211 AromaticContact CD2-CG 3.68Å; Y125-Y211 HydrophobicContact CD2-CG 3.68Å; Y125-Y211 AromaticContact CE2-CD1 3.63Å; Y125-Y211 HydrophobicContact CE2-CD1 3.63Å; Y125-Y211 AromaticContact CE2-CD2 3.7Å; Y125-Y211 HydrophobicContact CE2-CD2 3.7Å; Y125-Y211 HydrophobicContact CE2-CE1 4.04Å; Y125-Y211 HydrophobicContact CE2-CE2 4.11Å; Y125-Y211 AromaticContact CE2-CG 3.46Å; Y125-Y211 HydrophobicContact CE2-CG 3.46Å; Y125-Y211 VanDerWaalsContact CE2-CG 3.46Å; L128-Y211 HydrophobicContact CB-CE1 4.29Å; R129-Y211 WeakPolarHBondContact CA-OH 3.2Å; R129-Y211 HydrophobicContact CG-CE1 3.98Å; R129-Y211 HydrophobicContact CG-CE2 4.49Å; V132-Y211 HydrophobicContact CG2-CE1 4.37Å; L147-Y211 HydrophobicContact CB-CD2 4.11Å; L147-Y211 HydrophobicContact CB-CE2 3.65Å; L147-Y211 HydrophobicContact CD2-CD1 3.95Å; L147-Y211 HydrophobicContact CD2-CD2 3.59Å; L147-Y211 HydrophobicContact CD2-CE1 4.03Å; L147-Y211 HydrophobicContact CD2-CE2 3.66Å; L147-Y211 HydrophobicContact CD2-CG 3.72Å; L147-Y211 HydrophobicContact CG-CD2 4.49Å; L147-Y211 HydrophobicContact CG-CE2 4.25Å; L147-Y211 VanDerWaalsContact O-CD2 3.3Å; L147-Y211 WeakPolarHBondContact O-CD2 3.38Å; L147-Y211 WeakPolarHBondContact O-CE2 3.5Å; F150-Y211 HydrophobicContact CB-CD2 4.1Å; A151-Y211 HydrophobicContact CB-CD2 4.22Å; A151-Y211 HydrophobicContact CB-CE2 3.9Å; A207-Y211 VanDerWaalsContact O-CB 3.29Å; A207-Y211 WeakPolarHBondContact O-CB 3.28Å; A207-Y211 PolarHBondContact O-N 2.79Å; H208-Y211 PolarHBondContact O-N 3.32Å; Y211-K213 VanDerWaalsContact C-N 3.34Å; Y211-K213 PolarHBondContact O-N 3.35Å; Y211-E214 PolarHBondContact O-N 3.26Å; Y211-C215 VanDerWaalsContact CD1-SG 3.54Å; Y211-C215 WeakPolarHBondContact CE1-SG 3.4Å; Y211-C215 WeakPolarHBondContact O-CB 3.17Å; Y211-C215 PolarHBondContact O-N 2.81Å; Y211-C215 PolarHBondContact O-SG 3.26Å; Y211-C215 VanDerWaalsContact O-SG 3.36Å
212I98Very high96.2Very high0 Ų034.7 Ų34.70%018%0.184CC..Hα-helixtrans-59.2-45.5176.9-69.5162.3000111.1R121 Y124 L128 H208 L209 E214 C215 A216R121-I212 HydrophobicContact CG-CD1 3.76Å; Y124-I212 HydrophobicContact CD1-CD1 3.83Å; Y124-I212 HydrophobicContact CD1-CG1 3.9Å; Y124-I212 HydrophobicContact CD1-CG2 4.35Å; Y124-I212 HydrophobicContact CE1-CD1 4.35Å; Y124-I212 HydrophobicContact CE1-CG1 4.09Å; Y124-I212 HydrophobicContact CE1-CG2 3.77Å; L128-I212 HydrophobicContact CD1-CB 4.31Å; L128-I212 HydrophobicContact CD1-CG1 4.01Å; L128-I212 HydrophobicContact CD1-CG2 4.27Å; H208-I212 WeakPolarHBondContact O-CB 3.49Å; H208-I212 WeakPolarHBondContact O-CD1 3.34Å; H208-I212 WeakPolarHBondContact O-CG1 3.38Å; H208-I212 PolarHBondContact O-N 3.25Å; L209-I212 PolarHBondContact O-N 2.84Å; I212-E214 VanDerWaalsContact C-N 3.34Å; I212-E214 PolarHBondContact O-N 3.38Å; I212-C215 PolarHBondContact O-N 3.3Å; I212-A216 PolarHBondContact O-N 2.95Å
213K96.3Very high96.2Very high68 Ų6833.7 Ų33.730%0.29618%0.178SC..Hα-helixtrans-63.1-38.3-179.8-170.5175.3-174.21700112.4L209 K210 Y211 E330L209-K213 WeakPolarHBondContact O-CB 3.38Å; L209-K213 PolarHBondContact O-N 3.28Å; L209-K213 VanDerWaalsContact O-N 3.1Å; K210-K213 PolarHBondContact O-N 3.24Å; Y211-K213 VanDerWaalsContact C-N 3.34Å; Y211-K213 PolarHBondContact O-N 3.35Å; K213-E330 IonicContact NZ-OE1 3.55Å; K213-E330 PolarHBondContact NZ-OE1 3.23Å; K213-E330 IonicContact NZ-OE2 2.74Å; K213-E330 PolarHBondContact NZ-OE2 3.5Å
214E97.9Very high96.1Very high41 Ų4131 Ų3119%0.19216%0.161CC..Hα-helixtrans-73.9-42.2177.4-171.759.2-148.900111.8A143 L146 L147 F150 K210 Y211 I212 A216 Q217A143-E214 HydrophobicContact CB-CG 4.33Å; A143-E214 VanDerWaalsContact CB-OE1 3.28Å; A143-E214 WeakPolarHBondContact CB-OE1 3.43Å; L146-E214 HydrophobicContact CD2-CG 4.27Å; L147-E214 HydrophobicContact CD1-CG 4.48Å; L147-E214 HydrophobicContact CD2-CB 3.77Å; L147-E214 HydrophobicContact CD2-CG 3.9Å; L147-E214 HydrophobicContact CG-CB 4.35Å; L147-E214 HydrophobicContact CG-CG 3.91Å; F150-E214 HydrophobicContact CE2-CB 4.4Å; K210-E214 PolarHBondContact O-N 3.31Å; Y211-E214 PolarHBondContact O-N 3.26Å; I212-E214 VanDerWaalsContact C-N 3.34Å; I212-E214 PolarHBondContact O-N 3.38Å; E214-A216 PolarHBondContact O-N 2.94Å; E214-Q217 WeakPolarHBondContact O-CB 3.39Å; E214-Q217 PolarHBondContact O-N 3.35Å
215C97.8Very high96Very high0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-56.6-34.2173.9-77.10000113.6L128 V132 L147 Y211 I212 Q217 L218 V221L128-C215 HydrophobicContact CB-CB 4.46Å; L128-C215 HydrophobicContact CD1-CB 3.82Å; V132-C215 WeakPolarHBondContact CG2-SG 3.42Å; L147-C215 VanDerWaalsContact CD2-SG 3.58Å; Y211-C215 VanDerWaalsContact CD1-SG 3.54Å; Y211-C215 WeakPolarHBondContact CE1-SG 3.4Å; Y211-C215 WeakPolarHBondContact O-CB 3.17Å; Y211-C215 PolarHBondContact O-N 2.81Å; Y211-C215 PolarHBondContact O-SG 3.26Å; Y211-C215 VanDerWaalsContact O-SG 3.36Å; I212-C215 PolarHBondContact O-N 3.3Å; C215-Q217 PolarHBondContact O-N 3.02Å; C215-L218 PolarHBondContact O-N 3.23Å; C215-V221 HydrophobicContact CB-CG1 3.96Å
216A95.5Very high95.9Very high12 Ų1230.4 Ų30.410%0.09915%0.145CC..THydrogen-bonded Turntrans-68.3-9.8177.600000113.9I212 E214 L245I212-A216 PolarHBondContact O-N 2.95Å; E214-A216 PolarHBondContact O-N 2.94Å; A216-L245 HydrophobicContact CB-CD1 3.97Å
217Q94.8Very high95.8Very high73 Ų7331.2 Ų31.234%0.34115%0.145SC..THydrogen-bonded Turntrans-93-7.8174.4-52.7-64.4-14.900113.3R140 E214 C215R140-Q217 VanDerWaalsContact CD-O 3.32Å; R140-Q217 WeakPolarHBondContact CD-O 3.36Å; R140-Q217 PolarHBondContact NE-O 2.88Å; E214-Q217 WeakPolarHBondContact O-CB 3.39Å; E214-Q217 PolarHBondContact O-N 3.35Å; C215-Q217 PolarHBondContact O-N 3.02Å
218L95.8Very high95.7Very high2 Ų231.2 Ų31.21%0.0115%0.145CC..SBendtrans-91.3122.6178-68.4174.5000110.7C137 R140 A143 Y144 L147 C215 D220 V221C137-L218 HydrophobicContact CB-CD2 4.13Å; R140-L218 HydrophobicContact CB-CD2 3.75Å; A143-L218 HydrophobicContact CB-CD2 4.03Å; Y144-L218 HydrophobicContact CE1-CD1 4.16Å; Y144-L218 HydrophobicContact CE2-CD2 4.47Å; L147-L218 HydrophobicContact CD1-CD1 3.72Å; C215-L218 PolarHBondContact O-N 3.23Å; L218-D220 PolarHBondContact O-N 3.06Å; L218-V221 HydrophobicContact CB-CB 3.95Å; L218-V221 HydrophobicContact CB-CG2 3.65Å; L218-V221 HydrophobicContact CD1-CG2 3.69Å; L218-V221 HydrophobicContact CG-CG2 4.32Å; L218-V221 PolarHBondContact O-N 2.91Å
219D91.9Very high95.5Very high102 Ų10232.2 Ų32.255%0.54515%0.148SC..THydrogen-bonded Turntrans-64.5-12.6-168-60.8-45.5000115.2V223D219-V223 VanDerWaalsContact O-CG2 3.24Å; D219-V223 WeakPolarHBondContact O-CG2 3.39Å
220D94.1Very high95.4Very high33 Ų3337 Ų3718%0.17617%0.168CC..THydrogen-bonded Turntrans-125.6-4.6-175.868.1-11.6000115.2S135 Q136 C137 L218 Y225S135-D220 WeakPolarHBondContact CA-OD2 3.43Å; S135-D220 WeakPolarHBondContact CB-OD1 3.37Å; S135-D220 PolarHBondContact OG-OD1 3.03Å; S135-D220 PolarHBondContact OG-OD2 2.86Å; S135-D220 VanDerWaalsContact OG-OD2 3.14Å; Q136-D220 PolarHBondContact N-OD2 2.92Å; C137-D220 PolarHBondContact N-OD2 3.26Å; L218-D220 PolarHBondContact O-N 3.06Å; D220-Y225 WeakPolarHBondContact CA-OH 3.45Å; D220-Y225 WeakPolarHBondContact CB-OH 3.45Å
221V96.5Very high95.1Very high0 Ų037.2 Ų37.20%017%0.173CC..THydrogen-bonded Turntrans-82.7-46-176.91700000111.8L128 Q131 V132 C215 L218 V223L128-V221 HydrophobicContact CD2-CG1 4.16Å; Q131-V221 HydrophobicContact CB-CG1 3.91Å; Q131-V221 WeakPolarHBondContact CB-O 3.46Å; V132-V221 HydrophobicContact CG2-CG1 3.91Å; V132-V221 HydrophobicContact CG2-CG2 4.06Å; C215-V221 HydrophobicContact CB-CG1 3.96Å; L218-V221 HydrophobicContact CB-CB 3.95Å; L218-V221 HydrophobicContact CB-CG2 3.65Å; L218-V221 HydrophobicContact CD1-CG2 3.69Å; L218-V221 HydrophobicContact CG-CG2 4.32Å; L218-V221 PolarHBondContact O-N 2.91Å; V221-V223 VanDerWaalsContact C-N 3.28Å; V221-V223 PolarHBondContact O-N 3.18Å
222T96Very high94.5Very high6 Ų643.7 Ų43.74%0.03720%0.201CC..SBendtrans-95.246.4178.956.10000111.7Y108 L128 L245Y108-T222 HydrophobicContact CD1-CG2 4.41Å; Y108-T222 VanDerWaalsContact CD2-C 3.43Å; Y108-T222 WeakPolarHBondContact CD2-O 3.42Å; Y108-T222 VanDerWaalsContact CE2-C 3.46Å; Y108-T222 HydrophobicContact CG-CG2 4.43Å; L128-T222 HydrophobicContact CD2-CG2 3.95Å; T222-L245 HydrophobicContact CG2-CD1 4.11Å; T222-L245 VanDerWaalsContact OG1-CD1 3.31Å; T222-L245 WeakPolarHBondContact OG1-CD1 3.28Å
223V95.4Very high94Very high5 Ų553 Ų533%0.0324%0.242CC..  trans-129.5133.7-174.3-174.80000111.6D219 V221 Y225 L243 T244D219-V223 VanDerWaalsContact O-CG2 3.24Å; D219-V223 WeakPolarHBondContact O-CG2 3.39Å; V221-V223 VanDerWaalsContact C-N 3.28Å; V221-V223 PolarHBondContact O-N 3.18Å; V223-Y225 HydrophobicContact CB-CE1 4.48Å; V223-Y225 HydrophobicContact CB-CE2 3.93Å; V223-Y225 HydrophobicContact CG1-CD1 4.01Å; V223-Y225 HydrophobicContact CG1-CD2 4.23Å; V223-Y225 HydrophobicContact CG1-CE1 3.61Å; V223-Y225 HydrophobicContact CG1-CE2 3.86Å; V223-Y225 HydrophobicContact CG1-CG 4.31Å; V223-L243 VanDerWaalsContact CA-O 3.3Å; V223-L243 WeakPolarHBondContact CA-O 3.32Å; V223-T244 HydrophobicContact CG1-CG2 4.28Å; V223-T244 HydrophobicContact CG2-CG2 3.91Å
224H94.9Very high93.7Very high15 Ų1552.3 Ų52.37%0.06924%0.24CC..EExtended strand (participates in β ladder)trans-96.6118.9166.4-59-67.3000109.7Y69 Q106 Y108 Y226 L243Y69-H224 AromaticContact CZ-CE1 4Å; Y69-H224 PolarHBondContact OH-CE1 2.95Å; Q106-H224 PolarHBondContact O-NE2 3.4Å; Y108-H224 AromaticContact CD2-NE2 3.73Å; Y108-H224 AromaticContact CE2-CD2 3.72Å; Y108-H224 AromaticContact CE2-CE1 3.36Å; Y108-H224 WeakPolarHBondContact CE2-CE1 3.24Å; Y108-H224 AromaticContact CE2-CG 4Å; Y108-H224 AromaticContact CE2-ND1 3.82Å; Y108-H224 AromaticContact CE2-NE2 3.31Å; Y108-H224 VanDerWaalsContact CE2-NE2 3.31Å; Y108-H224 WeakPolarHBondContact CE2-NE2 3.41Å; Y108-H224 AromaticContact CZ-CE1 3.58Å; Y108-H224 AromaticContact CZ-NE2 3.94Å; H224-Y226 HydrophobicContact CB-CD2 4.46Å; H224-Y226 HydrophobicContact CB-CE2 3.67Å; H224-L243 HydrophobicContact CB-CB 4.28Å; H224-L243 PolarHBondContact N-O 3.46Å; H224-L243 PolarHBondContact O-N 3.48Å
225Y93.3Very high93Very high58 Ų5856.6 Ų56.623%0.22727%0.268CS..EExtended strand (participates in β ladder)trans-95.5127.8179.5-67.8-71.3000112.1D220 V223 T240 L241 F251D220-Y225 WeakPolarHBondContact CA-OH 3.45Å; D220-Y225 WeakPolarHBondContact CB-OH 3.45Å; V223-Y225 HydrophobicContact CB-CE1 4.48Å; V223-Y225 HydrophobicContact CB-CE2 3.93Å; V223-Y225 HydrophobicContact CG1-CD1 4.01Å; V223-Y225 HydrophobicContact CG1-CD2 4.23Å; V223-Y225 HydrophobicContact CG1-CE1 3.61Å; V223-Y225 HydrophobicContact CG1-CE2 3.86Å; V223-Y225 HydrophobicContact CG1-CG 4.31Å; Y225-T240 HydrophobicContact CD1-CG2 3.81Å; Y225-T240 HydrophobicContact CG-CG2 4.39Å; Y225-L241 CarbonylContact C-O 3.55Å; Y225-L241 WeakPolarHBondContact CA-O 3.21Å; Y225-F251 HydrophobicContact CE1-CE2 4.08Å
226Y93.3Very high92.5Very high4 Ų463.8 Ų63.82%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-127.1129.6175.6-66.1-76.6000110.1I68 H224 T240 L241 H304 L305 L308I68-Y226 HydrophobicContact CD1-CE1 4.49Å; H224-Y226 HydrophobicContact CB-CD2 4.46Å; H224-Y226 HydrophobicContact CB-CE2 3.67Å; Y226-T240 CarbonylContact O-C 3.59Å; Y226-T240 WeakPolarHBondContact O-CA 3.47Å; Y226-L241 HydrophobicContact CD2-CD2 4.17Å; Y226-L241 PolarHBondContact N-O 2.71Å; Y226-L241 PolarHBondContact O-N 3.45Å; Y226-H304 AromaticContact CE1-CE1 3.93Å; Y226-H304 AromaticContact CZ-CE1 3.96Å; Y226-L305 HydrophobicContact CD2-CD1 3.63Å; Y226-L305 HydrophobicContact CE2-CD1 4.05Å; Y226-L305 HydrophobicContact CG-CD1 4Å; Y226-L308 HydrophobicContact CE2-CD2 3.72Å; Y226-L308 VanDerWaalsContact OH-CD2 3.23Å; Y226-L308 WeakPolarHBondContact OH-CD2 3.47Å
227R93.4Very high92.2Very high95 Ų9563.5 Ų63.536%0.35830%0.3SS..EExtended strand (participates in β ladder)trans-60.2147.9172.5-65.3163.872.882.6-5.7109.5E66 A237 R301E66-R227 WeakPolarHBondContact OE1-CB 3.42Å; E66-R227 WeakPolarHBondContact OE1-CD 3.48Å; E66-R227 WeakPolarHBondContact OE1-CG 3.37Å; E66-R227 PolarHBondContact OE1-N 3.23Å; R227-A237 HydrophobicContact CB-CB 3.64Å; R227-A237 HydrophobicContact CG-CB 4.14Å; R227-R301 PolarHBondContact O-NH2 2.63Å
228L94.4Very high92.1Very high0 Ų061.8 Ų61.80%030%0.296CS..EExtended strand (participates in β ladder)trans-133150.3169.2-74.9-176.7000109.8A237 L239 L241 I250 F279 Y294 T296 L305L228-A237 WeakPolarHBondContact O-CB 3.38Å; L228-L239 HydrophobicContact CB-CB 3.85Å; L228-L239 PolarHBondContact N-O 2.93Å; L228-L239 WeakPolarHBondContact O-CB 3.31Å; L228-L239 PolarHBondContact O-N 3.46Å; L228-L239 VanDerWaalsContact O-O 3.1Å; L228-L241 HydrophobicContact CD1-CB 3.74Å; L228-L241 HydrophobicContact CD1-CD1 4.17Å; L228-L241 HydrophobicContact CG-CB 4.04Å; L228-I250 HydrophobicContact CD1-CD1 3.99Å; L228-F279 HydrophobicContact CD1-CD1 4.08Å; L228-F279 HydrophobicContact CD1-CE1 4.18Å; L228-F279 HydrophobicContact CD2-CD1 4.08Å; L228-Y294 HydrophobicContact CD1-CD2 4.11Å; L228-Y294 HydrophobicContact CD1-CG 4.11Å; L228-T296 HydrophobicContact CD2-CG2 4.02Å; L228-L305 HydrophobicContact CD2-CD2 4.46Å
229Y94.5Very high92.1Very high40 Ų4062 Ų6216%0.15730%0.297CS..BIsolated β-bridgetrans-107.3132.2173.5-56.7-96.6000107.4D231 E234 E236 A237 Y294 Y295Y229-D231 VanDerWaalsContact C-N 3.35Å; Y229-E234 VanDerWaalsContact CA-OE2 3.32Å; Y229-E234 WeakPolarHBondContact CA-OE2 3.26Å; Y229-E234 HydrophobicContact CD1-CB 4.12Å; Y229-E234 HydrophobicContact CD1-CG 4.49Å; Y229-E236 WeakPolarHBondContact CD1-O 3.41Å; Y229-E236 VanDerWaalsContact CE1-C 3.49Å; Y229-E236 WeakPolarHBondContact CE1-O 3.46Å; Y229-A237 HydrophobicContact CD1-CB 4.29Å; Y229-A237 HydrophobicContact CE1-CB 4.08Å; Y229-Y294 CarbonylContact O-C 3.53Å; Y229-Y294 WeakPolarHBondContact O-CA 3.39Å; Y229-Y295 WeakPolarHBondContact CD2-O 3.34Å; Y229-Y295 PolarHBondContact N-O 2.68Å; Y229-Y295 PolarHBondContact O-N 2.78Å
230K92.8Very high92.3Very high128 Ų12857.6 Ų57.656%0.55727%0.274SS*.SBendtrans-66.9-39.8173-172.9178.8179.8179.70110.5E234 L239K230-E234 PolarHBondContact N-OE2 3.3Å; K230-L239 HydrophobicContact CB-CD1 4.08Å
231D91.1Very high92.3Very high94 Ų9456 Ų5650%0.50327%0.265SS..SBendtrans-126.9149.5-173-82-67000114.4Y229 K233 E234Y229-D231 VanDerWaalsContact C-N 3.35Å; D231-K233 PolarHBondContact O-N 3.39Å; D231-K233 VanDerWaalsContact O-N 3.08Å; D231-E234 HydrophobicContact CB-CB 4.37Å; D231-E234 PolarHBondContact N-OE2 2.88Å; D231-E234 WeakPolarHBondContact O-CB 3.42Å; D231-E234 PolarHBondContact O-N 3.5Å; D231-E234 VanDerWaalsContact O-N 3.12Å
232K86.4Confident92.3Very high141 Ų14156 Ų5661%0.61327%0.265SS*.THydrogen-bonded Turntrans-58.3-28.1-176.9179.1174.9176.9-1780113.6K277 Y295K232-K277 PolarHBondContact O-NZ 2.78Å; K232-Y295 HydrophobicContact CB-CD1 4.43Å; K232-Y295 HydrophobicContact CB-CE1 4.01Å; K232-Y295 HydrophobicContact CB-CE2 4.29Å
233K88.3Confident92.3Very high197 Ų19755.9 Ų55.986%0.85726%0.264SS*.THydrogen-bonded Turntrans-98.8-4.5-175.9-63.8-175.8179.3-179.50113.8D231D231-K233 PolarHBondContact O-N 3.39Å; D231-K233 VanDerWaalsContact O-N 3.08Å
234E89.1Confident92.4Very high53 Ų5356.6 Ų56.625%0.24827%0.269CS..  trans-67133.3-177.5-157.1-170165.200110.2Y229 K230 D231 E236 S238Y229-E234 VanDerWaalsContact CA-OE2 3.32Å; Y229-E234 WeakPolarHBondContact CA-OE2 3.26Å; Y229-E234 HydrophobicContact CD1-CB 4.12Å; Y229-E234 HydrophobicContact CD1-CG 4.49Å; K230-E234 PolarHBondContact N-OE2 3.3Å; D231-E234 HydrophobicContact CB-CB 4.37Å; D231-E234 PolarHBondContact N-OE2 2.88Å; D231-E234 WeakPolarHBondContact O-CB 3.42Å; D231-E234 PolarHBondContact O-N 3.5Å; D231-E234 VanDerWaalsContact O-N 3.12Å; E234-E236 WeakPolarHBondContact CG-O 3.35Å; E234-E236 VanDerWaalsContact OE1-O 3.1Å; E234-S238 WeakPolarHBondContact OE1-CB 3.35Å; E234-S238 PolarHBondContact OE1-N 2.82Å; E234-S238 PolarHBondContact OE1-OG 3.31Å
235V83.3Confident92.3Very high131 Ų13157 Ų5779%0.79427%0.271SS*.SBendtrans-88.9-44-174.4-179.60000110.9
236E87.8Confident92.2Very high150 Ų15060.8 Ų60.870%0.70129%0.285SS*.SBendtrans-100.3165.5173.7-60.7-168.2167.900110.5Y229 E234Y229-E236 WeakPolarHBondContact CD1-O 3.41Å; Y229-E236 VanDerWaalsContact CE1-C 3.49Å; Y229-E236 WeakPolarHBondContact CE1-O 3.46Å; E234-E236 WeakPolarHBondContact CG-O 3.35Å; E234-E236 VanDerWaalsContact OE1-O 3.1Å
237A89.8Confident92.3Very high7 Ų760.6 Ų60.66%0.05828%0.284CS..  trans-99.5101-178.800000110.4R227 L228 Y229 L239 N253R227-A237 HydrophobicContact CB-CB 3.64Å; R227-A237 HydrophobicContact CG-CB 4.14Å; L228-A237 WeakPolarHBondContact O-CB 3.38Å; Y229-A237 HydrophobicContact CD1-CB 4.29Å; Y229-A237 HydrophobicContact CE1-CB 4.08Å; A237-L239 PolarHBondContact O-N 3.12Å; A237-N253 PolarHBondContact O-ND2 3.27Å
238S92.9Very high92.4Very high36 Ų3656.1 Ų56.125%0.25227%0.267SS..  trans-69-13.3173560000114.2E234 N253E234-S238 WeakPolarHBondContact OE1-CB 3.35Å; E234-S238 PolarHBondContact OE1-N 2.82Å; E234-S238 PolarHBondContact OE1-OG 3.31Å; S238-N253 WeakPolarHBondContact O-CB 3.32Å; S238-N253 PolarHBondContact O-N 3.37Å
239L95.2Very high92.4Very high7 Ų757.5 Ų57.54%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-121.6156.4-177.1-58.6176.4000112.2L228 K230 A237 F251 Q252 N253 L261 Y294L228-L239 HydrophobicContact CB-CB 3.85Å; L228-L239 PolarHBondContact N-O 2.93Å; L228-L239 WeakPolarHBondContact O-CB 3.31Å; L228-L239 PolarHBondContact O-N 3.46Å; L228-L239 VanDerWaalsContact O-O 3.1Å; K230-L239 HydrophobicContact CB-CD1 4.08Å; A237-L239 PolarHBondContact O-N 3.12Å; L239-F251 CarbonylContact C-O 3.52Å; L239-F251 VanDerWaalsContact CA-O 3.28Å; L239-F251 WeakPolarHBondContact CA-O 3.21Å; L239-Q252 HydrophobicContact CD2-CB 4.36Å; L239-Q252 HydrophobicContact CD2-CG 4.42Å; L239-N253 PolarHBondContact O-ND2 2.94Å; L239-L261 HydrophobicContact CD2-CD1 3.83Å; L239-Y294 HydrophobicContact CD1-CD1 3.43Å; L239-Y294 VanDerWaalsContact CD1-CD1 3.43Å; L239-Y294 HydrophobicContact CD1-CE1 3.37Å; L239-Y294 HydrophobicContact CD1-CG 4.5Å
240T94.9Very high92.5Very high9 Ų955.6 Ų55.66%0.05527%0.266CS..EExtended strand (participates in β ladder)trans-134.2129.6170.1-59.60000109.1Y225 Y226 F251 N253Y225-T240 HydrophobicContact CD1-CG2 3.81Å; Y225-T240 HydrophobicContact CG-CG2 4.39Å; Y226-T240 CarbonylContact O-C 3.59Å; Y226-T240 WeakPolarHBondContact O-CA 3.47Å; T240-F251 PolarHBondContact N-O 2.87Å; T240-F251 PolarHBondContact O-N 3.19Å; T240-N253 PolarHBondContact OG1-ND2 3.01Å; T240-N253 VanDerWaalsContact OG1-ND2 3.11Å; T240-N253 PolarHBondContact OG1-OD1 2.84Å
241L95.9Very high92.6Very high0 Ų050.4 Ų50.40%024%0.244CC..EExtended strand (participates in β ladder)trans-87.4128.1165.5177.9149.7000109Y225 Y226 L228 L243 I248 Q249 I250 F279 L305 L309Y225-L241 CarbonylContact C-O 3.55Å; Y225-L241 WeakPolarHBondContact CA-O 3.21Å; Y226-L241 HydrophobicContact CD2-CD2 4.17Å; Y226-L241 PolarHBondContact N-O 2.71Å; Y226-L241 PolarHBondContact O-N 3.45Å; L228-L241 HydrophobicContact CD1-CB 3.74Å; L228-L241 HydrophobicContact CD1-CD1 4.17Å; L228-L241 HydrophobicContact CG-CB 4.04Å; L241-L243 HydrophobicContact CD2-CB 4.09Å; L241-I248 HydrophobicContact CD1-CG2 3.55Å; L241-I248 HydrophobicContact CD2-CG2 4.43Å; L241-I248 HydrophobicContact CG-CG2 3.77Å; L241-Q249 CarbonylContact C-O 3.52Å; L241-Q249 WeakPolarHBondContact CA-O 3.15Å; L241-I250 HydrophobicContact CB-CD1 4.1Å; L241-I250 HydrophobicContact CD1-CD1 3.99Å; L241-I250 HydrophobicContact CG-CD1 4.13Å; L241-F279 HydrophobicContact CD1-CE1 3.66Å; L241-F279 HydrophobicContact CD1-CZ 4.09Å; L241-L305 HydrophobicContact CD1-CD2 4.44Å; L241-L305 HydrophobicContact CD2-CD1 4.19Å; L241-L309 HydrophobicContact CD1-CD1 4.42Å; L241-L309 HydrophobicContact CD2-CD2 4.45Å
242G96.2Very high92.8Very high0 Ų049.8 Ų49.80%024%0.238CC..EExtended strand (participates in β ladder)trans-101.2120.1163.100000109.6Q249G242-Q249 PolarHBondContact N-O 3.38Å; G242-Q249 PolarHBondContact O-N 2.88Å
243L96.4Very high93Very high3 Ų345.1 Ų45.12%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-91.1110.2168.9166.655.6000108.2V223 H224 L241 W266 L308 L309V223-L243 VanDerWaalsContact CA-O 3.3Å; V223-L243 WeakPolarHBondContact CA-O 3.32Å; H224-L243 HydrophobicContact CB-CB 4.28Å; H224-L243 PolarHBondContact N-O 3.46Å; H224-L243 PolarHBondContact O-N 3.48Å; L241-L243 HydrophobicContact CD2-CB 4.09Å; L243-W266 HydrophobicContact CD1-CH2 3.62Å; L243-W266 HydrophobicContact CD1-CZ2 3.39Å; L243-L308 HydrophobicContact CD2-CD2 3.64Å; L243-L308 HydrophobicContact CD2-CG 3.58Å; L243-L309 HydrophobicContact CB-CD2 4.26Å; L243-L309 HydrophobicContact CD1-CD2 3.71Å; L243-L309 HydrophobicContact CD2-CD2 4.06Å; L243-L309 HydrophobicContact CG-CD2 4.22Å
244T95.8Very high93Very high20 Ų2039.3 Ų39.312%0.12320%0.2CC..  trans-104.8173.1-176.980.60000111.2V223 R246 G247 Q249V223-T244 HydrophobicContact CG1-CG2 4.28Å; V223-T244 HydrophobicContact CG2-CG2 3.91Å; T244-R246 PolarHBondContact O-N 3.24Å; T244-R246 PolarHBondContact OG1-N 3.11Å; T244-R246 VanDerWaalsContact OG1-N 3.11Å; T244-G247 PolarHBondContact N-O 3.47Å; T244-G247 PolarHBondContact OG1-N 3.33Å; T244-G247 VanDerWaalsContact OG1-N 3.1Å; T244-G247 PolarHBondContact OG1-O 3.1Å; T244-Q249 HydrophobicContact CG2-CG 4.19Å
245L92.8Very high92.8Very high24 Ų2440.6 Ų40.613%0.12623%0.228CC..SBendtrans-55.3-31.2169.7-74.5167.5000113.1Y108 E110 A216 T222 W266 Y316Y108-L245 VanDerWaalsContact O-CD2 3.27Å; Y108-L245 WeakPolarHBondContact O-CD2 3.35Å; E110-L245 HydrophobicContact CG-CB 4.45Å; E110-L245 HydrophobicContact CG-CD1 3.9Å; E110-L245 HydrophobicContact CG-CD2 4.49Å; A216-L245 HydrophobicContact CB-CD1 3.97Å; T222-L245 HydrophobicContact CG2-CD1 4.11Å; T222-L245 VanDerWaalsContact OG1-CD1 3.31Å; T222-L245 WeakPolarHBondContact OG1-CD1 3.28Å; L245-W266 PolarHBondContact O-NE1 3.36Å; L245-Y316 VanDerWaalsContact O-CD2 3.26Å; L245-Y316 WeakPolarHBondContact O-CD2 3.21Å
246R92.2Very high92.6Very high138 Ų13840.3 Ų40.352%0.52123%0.232SC..SBendtrans-109.1-10.4-168.2-62.5-175179166.77.3114.6E110 T244 P265 W266E110-R246 IonicContact OE1-CZ 3.12Å; E110-R246 IonicContact OE1-NE 3.96Å; E110-R246 PolarHBondContact OE1-NE 2.88Å; E110-R246 IonicContact OE1-NH2 2.75Å; E110-R246 PolarHBondContact OE1-NH2 2.8Å; T244-R246 PolarHBondContact O-N 3.24Å; T244-R246 PolarHBondContact OG1-N 3.11Å; T244-R246 VanDerWaalsContact OG1-N 3.11Å; R246-P265 CarbonylContact O-C 3.49Å; R246-P265 WeakPolarHBondContact O-CA 3.3Å; R246-W266 PolarHBondContact O-N 2.98Å
247G94.5Very high92.4Very high0 Ų037.6 Ų37.60%023%0.226CC..EExtended strand (participates in β ladder)trans169-157.6-176.600000115.3T244 F264T244-G247 PolarHBondContact N-O 3.47Å; T244-G247 PolarHBondContact OG1-N 3.33Å; T244-G247 VanDerWaalsContact OG1-N 3.1Å; T244-G247 PolarHBondContact OG1-O 3.1Å; G247-F264 CarbonylContact C-O 3.6Å; G247-F264 WeakPolarHBondContact CA-O 3.43Å
248I95.5Very high92.3Very high0 Ų043 Ų430%024%0.244CC..EExtended strand (participates in β ladder)trans-116.6121.3178-54.6176000108.8L241 I250 F264 W266 V269 L272 L309L241-I248 HydrophobicContact CD1-CG2 3.55Å; L241-I248 HydrophobicContact CD2-CG2 4.43Å; L241-I248 HydrophobicContact CG-CG2 3.77Å; I248-I250 HydrophobicContact CG2-CD1 4.12Å; I248-F264 HydrophobicContact CB-CB 4.37Å; I248-F264 PolarHBondContact N-O 2.86Å; I248-F264 WeakPolarHBondContact O-CB 3.19Å; I248-F264 WeakPolarHBondContact O-CD2 3.44Å; I248-F264 PolarHBondContact O-N 2.75Å; I248-W266 HydrophobicContact CD1-CH2 4.2Å; I248-W266 HydrophobicContact CD1-CZ3 3.81Å; I248-W266 HydrophobicContact CG1-CE3 4.47Å; I248-W266 HydrophobicContact CG1-CH2 3.76Å; I248-W266 HydrophobicContact CG1-CZ3 3.66Å; I248-V269 HydrophobicContact CD1-CG2 4.34Å; I248-L272 HydrophobicContact CD1-CD1 3.93Å; I248-L272 HydrophobicContact CD1-CD2 4.17Å; I248-L309 HydrophobicContact CD1-CD1 4.2Å; I248-L309 HydrophobicContact CD1-CD2 3.84Å; I248-L309 HydrophobicContact CG1-CD2 3.93Å
249Q95.8Very high92.3Very high29 Ų2946.7 Ų46.714%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-105.6138.1173.4-72.6174.5-13.900110.2L241 G242 T244 F251 L260 Y262 D263L241-Q249 CarbonylContact C-O 3.52Å; L241-Q249 WeakPolarHBondContact CA-O 3.15Å; G242-Q249 PolarHBondContact N-O 3.38Å; G242-Q249 PolarHBondContact O-N 2.88Å; T244-Q249 HydrophobicContact CG2-CG 4.19Å; Q249-F251 HydrophobicContact CB-CD2 4.33Å; Q249-F251 HydrophobicContact CB-CE2 3.53Å; Q249-F251 HydrophobicContact CB-CZ 3.87Å; Q249-L260 HydrophobicContact CB-CD1 3.77Å; Q249-L260 HydrophobicContact CG-CD1 3.96Å; Q249-Y262 CarbonylContact C-O 3.46Å; Q249-Y262 WeakPolarHBondContact CA-O 3.47Å; Q249-D263 HydrophobicContact CG-CB 4.32Å; Q249-D263 WeakPolarHBondContact CG-OD1 3.42Å
250I95.8Very high92.2Very high0 Ų050.3 Ų50.30%028%0.276CS..EExtended strand (participates in β ladder)trans-114.6120.7174.9-53.9-62.4000108.3L228 L241 I248 L261 Y262 F264 I281 Y294L228-I250 HydrophobicContact CD1-CD1 3.99Å; L241-I250 HydrophobicContact CB-CD1 4.1Å; L241-I250 HydrophobicContact CD1-CD1 3.99Å; L241-I250 HydrophobicContact CG-CD1 4.13Å; I248-I250 HydrophobicContact CG2-CD1 4.12Å; I250-L261 WeakPolarHBondContact O-CA 3.39Å; I250-L261 WeakPolarHBondContact O-CB 3.4Å; I250-L261 PolarHBondContact O-N 3.01Å; I250-Y262 HydrophobicContact CB-CD2 4.27Å; I250-Y262 HydrophobicContact CG2-CD2 4.47Å; I250-Y262 PolarHBondContact N-O 3.05Å; I250-Y262 PolarHBondContact O-N 3.49Å; I250-F264 HydrophobicContact CG1-CD2 4.44Å; I250-F264 HydrophobicContact CG1-CE2 4.04Å; I250-I281 HydrophobicContact CD1-CD1 4.05Å; I250-I281 HydrophobicContact CG1-CD1 4.34Å; I250-Y294 HydrophobicContact CD1-CE2 4.34Å; I250-Y294 HydrophobicContact CG1-CE2 4.34Å; I250-Y294 HydrophobicContact CG2-CE2 4.49Å
251F95.7Very high92.1Very high20 Ų2053 Ų539%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-109.3144.3179.2-58.1-94.2000111Y225 L239 T240 Q249 R258 Q259 L260Y225-F251 HydrophobicContact CE1-CE2 4.08Å; L239-F251 CarbonylContact C-O 3.52Å; L239-F251 VanDerWaalsContact CA-O 3.28Å; L239-F251 WeakPolarHBondContact CA-O 3.21Å; T240-F251 PolarHBondContact N-O 2.87Å; T240-F251 PolarHBondContact O-N 3.19Å; Q249-F251 HydrophobicContact CB-CD2 4.33Å; Q249-F251 HydrophobicContact CB-CE2 3.53Å; Q249-F251 HydrophobicContact CB-CZ 3.87Å; F251-R258 HydrophobicContact CB-CB 4.03Å; F251-R258 HydrophobicContact CD1-CB 3.85Å; F251-R258 HydrophobicContact CG-CB 4.09Å; F251-Q259 CarbonylContact C-O 3.58Å; F251-Q259 WeakPolarHBondContact CA-O 3.4Å; F251-L260 HydrophobicContact CD1-CB 4.07Å; F251-L260 HydrophobicContact CD1-CD1 4.16Å; F251-L260 HydrophobicContact CE1-CB 4.01Å; F251-L260 HydrophobicContact CE1-CD1 3.84Å; F251-L260 HydrophobicContact CE2-CD1 4.47Å; F251-L260 HydrophobicContact CZ-CD1 4.01Å
252Q95.3Very high92Very high81 Ų8158.1 Ų58.138%0.37931%0.31SS..EExtended strand (participates in β ladder)trans-88133.4161-165.3168.5-6.200109.6L239 V254 Q259 L261L239-Q252 HydrophobicContact CD2-CB 4.36Å; L239-Q252 HydrophobicContact CD2-CG 4.42Å; Q252-V254 HydrophobicContact CB-CG2 4.33Å; Q252-V254 HydrophobicContact CG-CG2 3.98Å; Q252-V254 PolarHBondContact O-N 3.42Å; Q252-Q259 PolarHBondContact N-O 2.86Å; Q252-Q259 PolarHBondContact O-N 3.02Å; Q252-L261 HydrophobicContact CB-CD1 3.89Å; Q252-L261 HydrophobicContact CB-CD2 4.03Å; Q252-L261 HydrophobicContact CB-CG 3.86Å
253N90.9Very high91.8Very high43 Ų4362 Ų6223%0.2333%0.331CS..EExtended strand (participates in β ladder)trans-85.1108.7173.9-58.8-30.6000108A237 S238 L239 T240A237-N253 PolarHBondContact O-ND2 3.27Å; S238-N253 WeakPolarHBondContact O-CB 3.32Å; S238-N253 PolarHBondContact O-N 3.37Å; L239-N253 PolarHBondContact O-ND2 2.94Å; T240-N253 PolarHBondContact OG1-ND2 3.01Å; T240-N253 VanDerWaalsContact OG1-ND2 3.11Å; T240-N253 PolarHBondContact OG1-OD1 2.84Å
254V87.6Confident91.6Very high74 Ų7462.8 Ų62.845%0.44834%0.335SS..EExtended strand (participates in β ladder)trans-118.195.6179.3-175.30000108Q252 S256 V257Q252-V254 HydrophobicContact CB-CG2 4.33Å; Q252-V254 HydrophobicContact CG-CG2 3.98Å; Q252-V254 PolarHBondContact O-N 3.42Å; V254-S256 PolarHBondContact O-N 2.84Å; V254-V257 PolarHBondContact N-O 3.07Å; V254-V257 PolarHBondContact O-N 2.96Å; V254-V257 VanDerWaalsContact O-N 3.09Å
255G84.4Confident91.5Very high80 Ų8064 Ų6483%0.82534%0.343SS*.THydrogen-bonded Turntrans62.5-126.1-168.500000111
256S79.6Confident91.5Very high126 Ų12663 Ų6388%0.88134%0.337SS*.THydrogen-bonded Turntrans-84.7-6.2174.353.60000114.2V254V254-S256 PolarHBondContact O-N 2.84Å
257V82.6Confident91.3Very high93 Ų9360.5 Ų60.556%0.56434%0.337SS*.EExtended strand (participates in β ladder)trans-99.9138.1-173.1-176.80000110.8V254V254-V257 PolarHBondContact N-O 3.07Å; V254-V257 PolarHBondContact O-N 2.96Å; V254-V257 VanDerWaalsContact O-N 3.09Å
258R89.1Confident90.9Very high120 Ų12064.1 Ų64.145%0.45336%0.357SS..EExtended strand (participates in β ladder)trans-95.4108.9171.6-64.7176.7-173152.51.4109F251F251-R258 HydrophobicContact CB-CB 4.03Å; F251-R258 HydrophobicContact CD1-CB 3.85Å; F251-R258 HydrophobicContact CG-CB 4.09Å
259Q91.9Very high90.4Very high113 Ų11364.3 Ų64.353%0.52836%0.358SS..EExtended strand (participates in β ladder)trans-94.1121.8176.1-176.5175.96.100109.9F251 Q252 L261F251-Q259 CarbonylContact C-O 3.58Å; F251-Q259 WeakPolarHBondContact CA-O 3.4Å; Q252-Q259 PolarHBondContact N-O 2.86Å; Q252-Q259 PolarHBondContact O-N 3.02Å; Q259-L261 PolarHBondContact O-N 3.19Å
260L94.1Very high89.8Confident83 Ų8363.6 Ų63.644%0.43536%0.359SS..EExtended strand (participates in β ladder)trans-64.3124177.7-174.965.3000110.3Q249 F251 Y262 D263Q249-L260 HydrophobicContact CB-CD1 3.77Å; Q249-L260 HydrophobicContact CG-CD1 3.96Å; F251-L260 HydrophobicContact CD1-CB 4.07Å; F251-L260 HydrophobicContact CD1-CD1 4.16Å; F251-L260 HydrophobicContact CE1-CB 4.01Å; F251-L260 HydrophobicContact CE1-CD1 3.84Å; F251-L260 HydrophobicContact CE2-CD1 4.47Å; F251-L260 HydrophobicContact CZ-CD1 4.01Å; L260-Y262 WeakPolarHBondContact CD1-O 3.24Å; L260-D263 HydrophobicContact CD2-CB 4.44Å
261L92.9Very high89.4Confident66 Ų6666.9 Ų66.935%0.34637%0.373SS..EExtended strand (participates in β ladder)trans-98.6-43.7173.9-67.7-177.3000112.1L239 I250 Q252 Q259L239-L261 HydrophobicContact CD2-CD1 3.83Å; I250-L261 WeakPolarHBondContact O-CA 3.39Å; I250-L261 WeakPolarHBondContact O-CB 3.4Å; I250-L261 PolarHBondContact O-N 3.01Å; Q252-L261 HydrophobicContact CB-CD1 3.89Å; Q252-L261 HydrophobicContact CB-CD2 4.03Å; Q252-L261 HydrophobicContact CB-CG 3.86Å; Q259-L261 PolarHBondContact O-N 3.19Å
262Y92.3Very high89.2Confident107 Ų10765.9 Ų65.942%0.4237%0.368SS..EExtended strand (participates in β ladder)trans-144140.5-176.5-57.1-70.5000110.2Q249 I250 L260 F264 L292Q249-Y262 CarbonylContact C-O 3.46Å; Q249-Y262 WeakPolarHBondContact CA-O 3.47Å; I250-Y262 HydrophobicContact CB-CD2 4.27Å; I250-Y262 HydrophobicContact CG2-CD2 4.47Å; I250-Y262 PolarHBondContact N-O 3.05Å; I250-Y262 PolarHBondContact O-N 3.49Å; L260-Y262 WeakPolarHBondContact CD1-O 3.24Å; Y262-F264 HydrophobicContact CD1-CZ 4.28Å; Y262-F264 HydrophobicContact CG-CE2 4.12Å; Y262-F264 AromaticContact CG-CZ 3.9Å; Y262-F264 HydrophobicContact CG-CZ 3.9Å; Y262-L292 HydrophobicContact CD2-CD1 3.97Å; Y262-L292 HydrophobicContact CE2-CD1 4.07Å; Y262-L292 HydrophobicContact CE2-CD2 4.41Å; Y262-L292 HydrophobicContact CG-CD1 4.26Å
263D93.1Very high88.9Confident83 Ų8363 Ų6344%0.44436%0.357SS..EExtended strand (participates in β ladder)trans-120.7126.1169.4-169.411.6000108.4Q249 L260 P265Q249-D263 HydrophobicContact CG-CB 4.32Å; Q249-D263 WeakPolarHBondContact CG-OD1 3.42Å; L260-D263 HydrophobicContact CD2-CB 4.44Å; D263-P265 WeakPolarHBondContact O-CD 3.34Å
264F92.5Very high88.9Confident19 Ų1961.2 Ų61.28%0.08335%0.346CS..EExtended strand (participates in β ladder)trans-119.591.1179.6-59.3-71.7000109G247 I248 I250 Y262 V269 I281 P283 L292G247-F264 CarbonylContact C-O 3.6Å; G247-F264 WeakPolarHBondContact CA-O 3.43Å; I248-F264 HydrophobicContact CB-CB 4.37Å; I248-F264 PolarHBondContact N-O 2.86Å; I248-F264 WeakPolarHBondContact O-CB 3.19Å; I248-F264 WeakPolarHBondContact O-CD2 3.44Å; I248-F264 PolarHBondContact O-N 2.75Å; I250-F264 HydrophobicContact CG1-CD2 4.44Å; I250-F264 HydrophobicContact CG1-CE2 4.04Å; Y262-F264 HydrophobicContact CD1-CZ 4.28Å; Y262-F264 HydrophobicContact CG-CE2 4.12Å; Y262-F264 AromaticContact CG-CZ 3.9Å; Y262-F264 HydrophobicContact CG-CZ 3.9Å; F264-V269 HydrophobicContact CB-CG2 3.79Å; F264-I281 HydrophobicContact CD2-CD1 4.42Å; F264-I281 HydrophobicContact CE2-CD1 4.3Å; F264-P283 HydrophobicContact CD1-CB 4.03Å; F264-P283 HydrophobicContact CE1-CB 4.02Å; F264-P283 HydrophobicContact CE1-CG 4.11Å; F264-L292 HydrophobicContact CE1-CD1 4.43Å; F264-L292 HydrophobicContact CE2-CD1 3.93Å; F264-L292 HydrophobicContact CZ-CD1 3.41Å; F264-L292 VanDerWaalsContact CZ-CD1 3.41Å
265P92.9Very high89Confident46 Ų4660.4 Ų60.430%0.29934%0.342SS..EExtended strand (participates in β ladder)trans-51.7146.2167.9-25.634.6000110.6R246 D263 T267 N268 V269R246-P265 CarbonylContact O-C 3.49Å; R246-P265 WeakPolarHBondContact O-CA 3.3Å; D263-P265 WeakPolarHBondContact O-CD 3.34Å; P265-T267 PolarHBondContact O-N 2.57Å; P265-T267 VanDerWaalsContact O-N 3.12Å; P265-N268 WeakPolarHBondContact O-CA 3.48Å; P265-N268 PolarHBondContact O-N 2.88Å; P265-V269 PolarHBondContact O-N 3.24Å
266W92Very high89.2Confident2 Ų257.8 Ų57.81%0.00831%0.314CS..G310 helixtrans-55.7-32-178.9-75.7131.5000113.9L243 L245 R246 I248 N268 V269 L309 H313 Y316 M317 F555L243-W266 HydrophobicContact CD1-CH2 3.62Å; L243-W266 HydrophobicContact CD1-CZ2 3.39Å; L245-W266 PolarHBondContact O-NE1 3.36Å; R246-W266 PolarHBondContact O-N 2.98Å; I248-W266 HydrophobicContact CD1-CH2 4.2Å; I248-W266 HydrophobicContact CD1-CZ3 3.81Å; I248-W266 HydrophobicContact CG1-CE3 4.47Å; I248-W266 HydrophobicContact CG1-CH2 3.76Å; I248-W266 HydrophobicContact CG1-CZ3 3.66Å; W266-N268 PolarHBondContact O-N 3.14Å; W266-V269 HydrophobicContact CE3-CG2 4.25Å; W266-L309 HydrophobicContact CH2-CD2 4.15Å; W266-H313 HydrophobicContact CD2-CB 4.15Å; W266-H313 AromaticContact CD2-CD2 3.91Å; W266-H313 HydrophobicContact CE3-CB 3.8Å; W266-H313 AromaticContact CE3-CD2 3.7Å; W266-H313 HydrophobicContact CH2-CB 4.18Å; W266-H313 HydrophobicContact CZ2-CB 4.5Å; W266-H313 HydrophobicContact CZ3-CB 3.82Å; W266-Y316 HydrophobicContact CB-CD1 3.51Å; W266-Y316 HydrophobicContact CB-CE1 3.57Å; W266-Y316 HydrophobicContact CB-CG 4.17Å; W266-Y316 AromaticContact CD1-CD1 3.51Å; W266-Y316 AromaticContact CD1-CD2 3.49Å; W266-Y316 VanDerWaalsContact CD1-CD2 3.49Å; W266-Y316 AromaticContact CD1-CE2 3.99Å; W266-Y316 AromaticContact CD1-CG 3.21Å; W266-Y316 AromaticContact CG-CD1 3.76Å; W266-Y316 HydrophobicContact CG-CD1 3.76Å; W266-Y316 HydrophobicContact CG-CD2 4.48Å; W266-Y316 HydrophobicContact CG-CE1 4.2Å; W266-Y316 AromaticContact CG-CG 3.92Å; W266-Y316 HydrophobicContact CG-CG 3.92Å; W266-Y316 AromaticContact NE1-CG 3.96Å; W266-M317 HydrophobicContact CB-CE 4.48Å; W266-F555 AromaticContact CE3-CE1 3.77Å; W266-F555 HydrophobicContact CE3-CE1 3.77Å; W266-F555 AromaticContact CZ3-CE1 3.78Å; W266-F555 HydrophobicContact CZ3-CE1 3.78Å; W266-F555 HydrophobicContact CZ3-CZ 4.3Å
267T88.6Confident89.8Confident85 Ų8554.8 Ų54.852%0.52129%0.285SS..G310 helixtrans-65.3-16.2173.853.30000114.4P265P265-T267 PolarHBondContact O-N 2.57Å; P265-T267 VanDerWaalsContact O-N 3.12Å
268N87.2Confident90.3Very high77 Ų7753 Ų5341%0.41227%0.27SS..G310 helixtrans-1182.4-172.8-59.826.7000112.2P265 W266 P283 D284P265-N268 WeakPolarHBondContact O-CA 3.48Å; P265-N268 PolarHBondContact O-N 2.88Å; W266-N268 PolarHBondContact O-N 3.14Å; N268-P283 CarbonylContact O-C 3.57Å; N268-P283 WeakPolarHBondContact O-CA 3.45Å; N268-P283 WeakPolarHBondContact O-CB 3.48Å; N268-D284 PolarHBondContact O-N 2.89Å
269V85.1Confident90.5Very high4 Ų447.3 Ų47.32%0.02425%0.249CC..EExtended strand (participates in β ladder)trans-87.5115.8168.5-177.80000106.7I248 F264 P265 W266 L272 F555I248-V269 HydrophobicContact CD1-CG2 4.34Å; F264-V269 HydrophobicContact CB-CG2 3.79Å; P265-V269 PolarHBondContact O-N 3.24Å; W266-V269 HydrophobicContact CE3-CG2 4.25Å; V269-L272 HydrophobicContact CG1-CD2 3.95Å; V269-L272 HydrophobicContact CG1-CG 4.05Å; V269-F555 HydrophobicContact CB-CD1 3.78Å; V269-F555 HydrophobicContact CB-CE1 3.85Å; V269-F555 HydrophobicContact CB-CG 4.23Å; V269-F555 HydrophobicContact CB-CZ 4.33Å; V269-F555 HydrophobicContact CG1-CD1 3.78Å; V269-F555 HydrophobicContact CG1-CD2 3.82Å; V269-F555 HydrophobicContact CG1-CE1 3.58Å; V269-F555 HydrophobicContact CG1-CE2 3.63Å; V269-F555 HydrophobicContact CG1-CG 3.96Å; V269-F555 HydrophobicContact CG1-CZ 3.54Å; V269-F555 WeakPolarHBondContact O-CB 3.32Å; V269-F555 WeakPolarHBondContact O-CD1 3.33Å; V269-F555 WeakPolarHBondContact O-CG 3.16Å
270G82.9Confident90.5Very high14 Ų1442.3 Ų42.314%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-92.3-43.5179.300000113L282 F555G270-L282 WeakPolarHBondContact CA-O 3.35Å; G270-L282 PolarHBondContact N-O 3.03Å; G270-F555 PolarHBondContact O-N 3.13Å
271K87.7Confident90.3Very high68 Ų6838.4 Ų38.430%0.29621%0.205SC..EExtended strand (participates in β ladder)trans-152.1135.6177.3-167.8169.3-176.5165.80112.7V273 L282 S552K271-V273 HydrophobicContact CD-CG2 4.15Å; K271-V273 HydrophobicContact CG-CG2 3.98Å; K271-L282 HydrophobicContact CB-CB 4.14Å; K271-L282 PolarHBondContact N-O 3.31Å; K271-L282 PolarHBondContact O-N 3.29Å; K271-S552 WeakPolarHBondContact CE-OG 3.3Å; K271-S552 PolarHBondContact NZ-OG 2.93Å
272L90.8Very high90.1Very high0 Ų037.9 Ų37.90%020%0.202CC..EExtended strand (participates in β ladder)trans-105.1134.6164.9-62.9-177.3000109.7I248 V269 F279 E280 I281 L306 L309 S552 Y553 F555I248-L272 HydrophobicContact CD1-CD1 3.93Å; I248-L272 HydrophobicContact CD1-CD2 4.17Å; V269-L272 HydrophobicContact CG1-CD2 3.95Å; V269-L272 HydrophobicContact CG1-CG 4.05Å; L272-F279 HydrophobicContact CB-CE2 4.37Å; L272-F279 HydrophobicContact CD1-CE2 4.33Å; L272-F279 HydrophobicContact CD2-CE2 3.81Å; L272-F279 HydrophobicContact CD2-CZ 4Å; L272-F279 HydrophobicContact CG-CE2 4.38Å; L272-E280 WeakPolarHBondContact CA-O 3.49Å; L272-I281 HydrophobicContact CD2-CB 4.14Å; L272-I281 HydrophobicContact CD2-CG1 3.86Å; L272-I281 HydrophobicContact CD2-CG2 3.94Å; L272-L306 HydrophobicContact CB-CD1 4.43Å; L272-L309 HydrophobicContact CD1-CB 3.8Å; L272-L309 HydrophobicContact CD1-CD1 3.66Å; L272-L309 HydrophobicContact CD1-CG 4.31Å; L272-S552 CarbonylContact O-C 3.59Å; L272-S552 VanDerWaalsContact O-CA 3.29Å; L272-S552 WeakPolarHBondContact O-CA 3.39Å; L272-Y553 PolarHBondContact N-O 3.49Å; L272-Y553 PolarHBondContact O-N 3.49Å; L272-F555 HydrophobicContact CB-CE2 4.02Å; L272-F555 HydrophobicContact CD1-CE2 3.92Å; L272-F555 HydrophobicContact CD1-CZ 3.63Å; L272-F555 HydrophobicContact CG-CE2 3.52Å; L272-F555 HydrophobicContact CG-CZ 3.72Å
273V88.8Confident89.8Confident21 Ų2134.2 Ų34.213%0.12719%0.192CC..EExtended strand (participates in β ladder)trans-128.9132.6177.6-171.10000109.2K271 V275 F279 E280 L282K271-V273 HydrophobicContact CD-CG2 4.15Å; K271-V273 HydrophobicContact CG-CG2 3.98Å; V273-V275 HydrophobicContact CG1-CG2 3.99Å; V273-F279 CarbonylContact O-C 3.58Å; V273-E280 HydrophobicContact CB-CB 4.14Å; V273-E280 HydrophobicContact CB-CG 4.39Å; V273-E280 PolarHBondContact N-O 2.78Å; V273-E280 PolarHBondContact O-N 3.2Å; V273-L282 HydrophobicContact CG2-CD1 4.06Å
274F90.9Very high89.1Confident4 Ų435.5 Ų35.52%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-118.9128.1170.4-73-97.3000109.8K278 F279 T296 S302 L305 L306 L309 A550 H551F274-K278 CarbonylContact C-O 3.56Å; F274-K278 VanDerWaalsContact CA-O 3.23Å; F274-K278 WeakPolarHBondContact CA-O 3.46Å; F274-F279 HydrophobicContact CD1-CB 3.89Å; F274-F279 AromaticContact CD1-CD2 3.91Å; F274-F279 HydrophobicContact CD1-CD2 3.91Å; F274-F279 HydrophobicContact CD1-CG 4.25Å; F274-F279 AromaticContact CD2-CD2 3.88Å; F274-F279 HydrophobicContact CD2-CD2 3.88Å; F274-F279 HydrophobicContact CD2-CE2 4.31Å; F274-F279 HydrophobicContact CE1-CB 3.6Å; F274-F279 AromaticContact CE1-CD2 3.35Å; F274-F279 HydrophobicContact CE1-CD2 3.35Å; F274-F279 HydrophobicContact CE1-CE2 4.12Å; F274-F279 AromaticContact CE1-CG 3.61Å; F274-F279 HydrophobicContact CE1-CG 3.61Å; F274-F279 AromaticContact CE2-CD2 3.3Å; F274-F279 HydrophobicContact CE2-CD2 3.3Å; F274-F279 AromaticContact CE2-CE2 3.42Å; F274-F279 HydrophobicContact CE2-CE2 3.42Å; F274-F279 VanDerWaalsContact CE2-CE2 3.42Å; F274-F279 HydrophobicContact CE2-CG 4.36Å; F274-F279 HydrophobicContact CG-CD2 4.2Å; F274-F279 HydrophobicContact CZ-CB 4.22Å; F274-F279 AromaticContact CZ-CD2 3.04Å; F274-F279 HydrophobicContact CZ-CD2 3.04Å; F274-F279 AromaticContact CZ-CE2 3.34Å; F274-F279 HydrophobicContact CZ-CE2 3.34Å; F274-F279 AromaticContact CZ-CG 3.7Å; F274-F279 HydrophobicContact CZ-CG 3.7Å; F274-F279 HydrophobicContact CZ-CZ 4.21Å; F274-T296 HydrophobicContact CE1-CG2 3.86Å; F274-S302 VanDerWaalsContact CD1-CB 3.42Å; F274-S302 WeakPolarHBondContact CD1-OG 3.5Å; F274-S302 WeakPolarHBondContact CE1-O 3.29Å; F274-L305 HydrophobicContact CE1-CB 4.41Å; F274-L305 HydrophobicContact CE1-CD2 4.24Å; F274-L305 HydrophobicContact CZ-CB 4.16Å; F274-L305 HydrophobicContact CZ-CD2 4.04Å; F274-L305 HydrophobicContact CZ-CG 3.99Å; F274-L306 HydrophobicContact CB-CD2 4.43Å; F274-L306 HydrophobicContact CD2-CB 3.54Å; F274-L306 HydrophobicContact CD2-CD1 3.73Å; F274-L306 HydrophobicContact CD2-CD2 3.88Å; F274-L306 HydrophobicContact CD2-CG 3.89Å; F274-L306 HydrophobicContact CE2-CB 3.5Å; F274-L306 VanDerWaalsContact CE2-CB 3.5Å; F274-L306 HydrophobicContact CE2-CD1 3.76Å; F274-L306 HydrophobicContact CE2-CG 4.1Å; F274-L306 HydrophobicContact CG-CB 4.23Å; F274-L306 HydrophobicContact CG-CD2 4.48Å; F274-L306 HydrophobicContact CZ-CB 4.16Å; F274-L309 HydrophobicContact CZ-CD1 4.46Å; F274-A550 WeakPolarHBondContact O-CA 3.4Å; F274-H551 PolarHBondContact N-O 3.33Å; F274-H551 PolarHBondContact O-N 2.96Å
275V89.1Confident87.8Confident58 Ų5836.8 Ų36.835%0.35222%0.217SC..EExtended strand (participates in β ladder)trans-127.1101.5176.4-172.70000108.8V273 K277 K278 T549 A550V273-V275 HydrophobicContact CG1-CG2 3.99Å; V275-K277 PolarHBondContact O-N 2.71Å; V275-K278 HydrophobicContact CB-CB 4.44Å; V275-K278 PolarHBondContact N-O 2.8Å; V275-K278 VanDerWaalsContact O-CB 3.26Å; V275-K278 WeakPolarHBondContact O-CB 3.44Å; V275-K278 PolarHBondContact O-N 3.32Å; V275-T549 WeakPolarHBondContact CA-O 3.39Å; V275-A550 HydrophobicContact CG2-CB 4.2Å
276G89.9Confident85.8Confident24 Ų2442 Ų4225%0.24724%0.241CC..THydrogen-bonded Turntrans59.6-105.8-17100000111.6P299 S302 T549G276-P299 VanDerWaalsContact O-CA 3.3Å; G276-P299 WeakPolarHBondContact O-CA 3.47Å; G276-P299 WeakPolarHBondContact O-CB 3.46Å; G276-S302 VanDerWaalsContact O-CB 3.27Å; G276-S302 WeakPolarHBondContact O-CB 3.28Å; G276-S302 PolarHBondContact O-OG 2.62Å; G276-T549 PolarHBondContact N-O 2.58Å
277K91.6Very high84Confident63 Ų6348 Ų4827%0.27428%0.28SS..THydrogen-bonded Turntrans-102.60.7175.374162-171.5168.70115K232 V275 Y295 T296 G297 P299 S302K232-K277 PolarHBondContact O-NZ 2.78Å; V275-K277 PolarHBondContact O-N 2.71Å; K277-Y295 HydrophobicContact CG-CD1 4.3Å; K277-Y295 VanDerWaalsContact O-CA 3.22Å; K277-Y295 WeakPolarHBondContact O-CA 3.31Å; K277-Y295 WeakPolarHBondContact O-CB 3.27Å; K277-T296 PolarHBondContact O-N 2.9Å; K277-G297 WeakPolarHBondContact CD-O 3.49Å; K277-P299 HydrophobicContact CB-CG 4.48Å; K277-S302 WeakPolarHBondContact CA-OG 3.45Å
278K92.7Very high82.3Confident57 Ų5749.3 Ų49.325%0.24829%0.293CS..EExtended strand (participates in β ladder)trans-85.8133.3180-169.5-170.5-167.7-166.20108.6F274 V275 E280 I293 Y295F274-K278 CarbonylContact C-O 3.56Å; F274-K278 VanDerWaalsContact CA-O 3.23Å; F274-K278 WeakPolarHBondContact CA-O 3.46Å; V275-K278 HydrophobicContact CB-CB 4.44Å; V275-K278 PolarHBondContact N-O 2.8Å; V275-K278 VanDerWaalsContact O-CB 3.26Å; V275-K278 WeakPolarHBondContact O-CB 3.44Å; V275-K278 PolarHBondContact O-N 3.32Å; K278-E280 HydrophobicContact CD-CG 4.16Å; K278-E280 WeakPolarHBondContact CD-OE1 3.47Å; K278-E280 WeakPolarHBondContact CE-OE1 3.2Å; K278-E280 HydrophobicContact CG-CG 4.16Å; K278-E280 IonicContact NZ-OE1 2.57Å; K278-E280 PolarHBondContact NZ-OE1 3.05Å; K278-I293 HydrophobicContact CD-CG2 4.29Å; K278-I293 HydrophobicContact CG-CG2 3.94Å; K278-Y295 HydrophobicContact CB-CD1 4.04Å; K278-Y295 HydrophobicContact CB-CE1 3.91Å; K278-Y295 HydrophobicContact CG-CD1 4.24Å; K278-Y295 HydrophobicContact CG-CE1 3.8Å
279F93.6Very high81.1Confident0 Ų047.8 Ų47.80%029%0.291CS..EExtended strand (participates in β ladder)trans-116.8133.3175.3172.7-138.7000108.5L228 L241 L272 V273 F274 I281 I293 Y294 T296 L309L228-F279 HydrophobicContact CD1-CD1 4.08Å; L228-F279 HydrophobicContact CD1-CE1 4.18Å; L228-F279 HydrophobicContact CD2-CD1 4.08Å; L241-F279 HydrophobicContact CD1-CE1 3.66Å; L241-F279 HydrophobicContact CD1-CZ 4.09Å; L272-F279 HydrophobicContact CB-CE2 4.37Å; L272-F279 HydrophobicContact CD1-CE2 4.33Å; L272-F279 HydrophobicContact CD2-CE2 3.81Å; L272-F279 HydrophobicContact CD2-CZ 4Å; L272-F279 HydrophobicContact CG-CE2 4.38Å; V273-F279 CarbonylContact O-C 3.58Å; F274-F279 HydrophobicContact CD1-CB 3.89Å; F274-F279 AromaticContact CD1-CD2 3.91Å; F274-F279 HydrophobicContact CD1-CD2 3.91Å; F274-F279 HydrophobicContact CD1-CG 4.25Å; F274-F279 AromaticContact CD2-CD2 3.88Å; F274-F279 HydrophobicContact CD2-CD2 3.88Å; F274-F279 HydrophobicContact CD2-CE2 4.31Å; F274-F279 HydrophobicContact CE1-CB 3.6Å; F274-F279 AromaticContact CE1-CD2 3.35Å; F274-F279 HydrophobicContact CE1-CD2 3.35Å; F274-F279 HydrophobicContact CE1-CE2 4.12Å; F274-F279 AromaticContact CE1-CG 3.61Å; F274-F279 HydrophobicContact CE1-CG 3.61Å; F274-F279 AromaticContact CE2-CD2 3.3Å; F274-F279 HydrophobicContact CE2-CD2 3.3Å; F274-F279 AromaticContact CE2-CE2 3.42Å; F274-F279 HydrophobicContact CE2-CE2 3.42Å; F274-F279 VanDerWaalsContact CE2-CE2 3.42Å; F274-F279 HydrophobicContact CE2-CG 4.36Å; F274-F279 HydrophobicContact CG-CD2 4.2Å; F274-F279 HydrophobicContact CZ-CB 4.22Å; F274-F279 AromaticContact CZ-CD2 3.04Å; F274-F279 HydrophobicContact CZ-CD2 3.04Å; F274-F279 AromaticContact CZ-CE2 3.34Å; F274-F279 HydrophobicContact CZ-CE2 3.34Å; F274-F279 AromaticContact CZ-CG 3.7Å; F274-F279 HydrophobicContact CZ-CG 3.7Å; F274-F279 HydrophobicContact CZ-CZ 4.21Å; F279-I281 HydrophobicContact CE1-CD1 3.78Å; F279-I281 HydrophobicContact CE1-CG1 3.8Å; F279-I281 HydrophobicContact CE2-CG1 4.07Å; F279-I281 HydrophobicContact CZ-CD1 3.8Å; F279-I281 HydrophobicContact CZ-CG1 3.54Å; F279-I293 WeakPolarHBondContact O-CA 3.2Å; F279-Y294 HydrophobicContact CD1-CD2 4.23Å; F279-Y294 PolarHBondContact N-O 2.96Å; F279-Y294 PolarHBondContact O-N 3.37Å; F279-Y294 VanDerWaalsContact O-O 3.08Å; F279-T296 HydrophobicContact CB-CG2 4.22Å; F279-L309 HydrophobicContact CE2-CD1 4.21Å; F279-L309 HydrophobicContact CZ-CD1 3.92Å
280E91.9Very high80.5Confident8 Ų857.7 Ų57.74%0.03733%0.328CS..EExtended strand (participates in β ladder)trans-131.9131.1-177.4-38.8-178.1124.600110L272 V273 K278 L282 K291 L292 I293L272-E280 WeakPolarHBondContact CA-O 3.49Å; V273-E280 HydrophobicContact CB-CB 4.14Å; V273-E280 HydrophobicContact CB-CG 4.39Å; V273-E280 PolarHBondContact N-O 2.78Å; V273-E280 PolarHBondContact O-N 3.2Å; K278-E280 HydrophobicContact CD-CG 4.16Å; K278-E280 WeakPolarHBondContact CD-OE1 3.47Å; K278-E280 WeakPolarHBondContact CE-OE1 3.2Å; K278-E280 HydrophobicContact CG-CG 4.16Å; K278-E280 IonicContact NZ-OE1 2.57Å; K278-E280 PolarHBondContact NZ-OE1 3.05Å; E280-L282 HydrophobicContact CB-CD1 4.37Å; E280-K291 WeakPolarHBondContact OE1-CE 3.49Å; E280-K291 IonicContact OE1-NZ 3.98Å; E280-K291 PolarHBondContact OE1-NZ 2.88Å; E280-K291 WeakPolarHBondContact OE2-CE 3.36Å; E280-K291 IonicContact OE2-NZ 3.94Å; E280-K291 PolarHBondContact OE2-NZ 3.46Å; E280-L292 CarbonylContact C-O 3.58Å; E280-L292 WeakPolarHBondContact CA-O 3.42Å; E280-I293 HydrophobicContact CG-CG1 4.36Å
281I90.6Very high80.7Confident0 Ų061.7 Ų61.70%034%0.341CS..EExtended strand (participates in β ladder)trans-111.1123.4176.1-50.3-179.9000107.8I250 F264 L272 F279 L292 Y294I250-I281 HydrophobicContact CD1-CD1 4.05Å; I250-I281 HydrophobicContact CG1-CD1 4.34Å; F264-I281 HydrophobicContact CD2-CD1 4.42Å; F264-I281 HydrophobicContact CE2-CD1 4.3Å; L272-I281 HydrophobicContact CD2-CB 4.14Å; L272-I281 HydrophobicContact CD2-CG1 3.86Å; L272-I281 HydrophobicContact CD2-CG2 3.94Å; F279-I281 HydrophobicContact CE1-CD1 3.78Å; F279-I281 HydrophobicContact CE1-CG1 3.8Å; F279-I281 HydrophobicContact CE2-CG1 4.07Å; F279-I281 HydrophobicContact CZ-CD1 3.8Å; F279-I281 HydrophobicContact CZ-CG1 3.54Å; I281-L292 HydrophobicContact CB-CB 4.37Å; I281-L292 PolarHBondContact N-O 2.95Å; I281-L292 PolarHBondContact O-N 2.89Å; I281-Y294 HydrophobicContact CD1-CD2 4.42Å; I281-Y294 HydrophobicContact CD1-CE2 4.16Å
282L89.1Confident80.8Confident55 Ų5559.8 Ų59.829%0.28833%0.334SS..EExtended strand (participates in β ladder)trans-111.8102.8169.6-66.676.7000106.8G270 K271 V273 E280 K291G270-L282 WeakPolarHBondContact CA-O 3.35Å; G270-L282 PolarHBondContact N-O 3.03Å; K271-L282 HydrophobicContact CB-CB 4.14Å; K271-L282 PolarHBondContact N-O 3.31Å; K271-L282 PolarHBondContact O-N 3.29Å; V273-L282 HydrophobicContact CG2-CD1 4.06Å; E280-L282 HydrophobicContact CB-CD1 4.37Å; L282-K291 HydrophobicContact CD1-CD 4.36Å; L282-K291 HydrophobicContact CD1-CG 4.12Å; L282-K291 HydrophobicContact CG-CB 4.49Å; L282-K291 HydrophobicContact CG-CG 4.22Å
283P84.8Confident80.8Confident31 Ų3162.9 Ų62.920%0.20135%0.35CS..EExtended strand (participates in β ladder)trans-72.2156.2172.427.6-27.3000110.6F264 N268 A289F264-P283 HydrophobicContact CD1-CB 4.03Å; F264-P283 HydrophobicContact CE1-CB 4.02Å; F264-P283 HydrophobicContact CE1-CG 4.11Å; N268-P283 CarbonylContact O-C 3.57Å; N268-P283 WeakPolarHBondContact O-CA 3.45Å; N268-P283 WeakPolarHBondContact O-CB 3.48Å; P283-A289 HydrophobicContact CG-CB 4.26Å
284D78.8Confident81.1Confident110 Ų11062.5 Ų62.559%0.58835%0.347SS*.SBendtrans-91.7153.4177.9-163.313.5000111.7N268N268-D284 PolarHBondContact O-N 2.89Å
285G64.4Low81.3Confident45 Ų4564.3 Ų64.346%0.46435%0.353SS..SBendtrans91.4123.6-179.500000115.7
286L51.9Low81.5Confident157 Ų15761.6 Ų61.682%0.82234%0.337SS*.SBendtrans73.5142.2179.2-78.497.8000118.9S288 A289L286-S288 PolarHBondContact O-N 3.09Å; L286-A289 PolarHBondContact O-N 2.9Å
287P54.8Low81.4Confident126 Ų12661.9 Ų61.982%0.81834%0.34SS*.THydrogen-bonded Turntrans-68.7128.5176.829.3-34.2000110.8
288S52.3Low81.3Confident114 Ų11461.7 Ų61.780%0.79735%0.346SS*.THydrogen-bonded Turntrans77.330.3-174-145.40000116L286 R290L286-S288 PolarHBondContact O-N 3.09Å; S288-R290 PolarHBondContact O-N 3.32Å
289A61Low81Confident44 Ų4462.7 Ų62.736%0.36436%0.359SS..  trans-51.8105.3153.400000109.7P283 L286 K291P283-A289 HydrophobicContact CG-CB 4.26Å; L286-A289 PolarHBondContact O-N 2.9Å; A289-K291 PolarHBondContact O-N 3.38Å
290R74Confident80.6Confident213 Ų21365.8 Ų65.880%0.80438%0.375SS*.  trans-63.9109.1-174.5-74.6-176.6179175.80.7109.9S288 L292S288-R290 PolarHBondContact O-N 3.32Å; R290-L292 PolarHBondContact O-N 3.38Å; R290-L292 VanDerWaalsContact O-N 3.07Å
291K85.2Confident80.4Confident97 Ų9766.2 Ų66.242%0.42238%0.376SS..  trans-47.2114167.3176.7177.9-179.5170.90110.3E280 L282 A289 I293E280-K291 WeakPolarHBondContact OE1-CE 3.49Å; E280-K291 IonicContact OE1-NZ 3.98Å; E280-K291 PolarHBondContact OE1-NZ 2.88Å; E280-K291 WeakPolarHBondContact OE2-CE 3.36Å; E280-K291 IonicContact OE2-NZ 3.94Å; E280-K291 PolarHBondContact OE2-NZ 3.46Å; L282-K291 HydrophobicContact CD1-CD 4.36Å; L282-K291 HydrophobicContact CD1-CG 4.12Å; L282-K291 HydrophobicContact CG-CB 4.49Å; L282-K291 HydrophobicContact CG-CG 4.22Å; A289-K291 PolarHBondContact O-N 3.38Å; K291-I293 HydrophobicContact CG-CG1 4.27Å
292L89.9Confident80.4Confident28 Ų2866.3 Ų66.315%0.14738%0.377CS..EExtended strand (participates in β ladder)trans-85141.2176-61.1178000109.3Y262 F264 E280 I281 R290 Y294Y262-L292 HydrophobicContact CD2-CD1 3.97Å; Y262-L292 HydrophobicContact CE2-CD1 4.07Å; Y262-L292 HydrophobicContact CE2-CD2 4.41Å; Y262-L292 HydrophobicContact CG-CD1 4.26Å; F264-L292 HydrophobicContact CE1-CD1 4.43Å; F264-L292 HydrophobicContact CE2-CD1 3.93Å; F264-L292 HydrophobicContact CZ-CD1 3.41Å; F264-L292 VanDerWaalsContact CZ-CD1 3.41Å; E280-L292 CarbonylContact C-O 3.58Å; E280-L292 WeakPolarHBondContact CA-O 3.42Å; I281-L292 HydrophobicContact CB-CB 4.37Å; I281-L292 PolarHBondContact N-O 2.95Å; I281-L292 PolarHBondContact O-N 2.89Å; R290-L292 PolarHBondContact O-N 3.38Å; R290-L292 VanDerWaalsContact O-N 3.07Å; L292-Y294 HydrophobicContact CB-CE2 3.79Å; L292-Y294 HydrophobicContact CD1-CE2 4.39Å
293I92.8Very high80.2Confident65 Ų6568.1 Ų68.133%0.33338%0.38SS..EExtended strand (participates in β ladder)trans-131.2125.7-176.4-62.3173.8000108.4K278 F279 E280 K291 Y295K278-I293 HydrophobicContact CD-CG2 4.29Å; K278-I293 HydrophobicContact CG-CG2 3.94Å; F279-I293 WeakPolarHBondContact O-CA 3.2Å; E280-I293 HydrophobicContact CG-CG1 4.36Å; K291-I293 HydrophobicContact CG-CG1 4.27Å; I293-Y295 HydrophobicContact CG2-CE2 4.39Å
294Y94.9Very high80.4Confident14 Ų1467 Ų676%0.05537%0.372CS..EExtended strand (participates in β ladder)trans-135.5-179.9178.4-55-62000109.5L228 Y229 L239 I250 F279 I281 L292L228-Y294 HydrophobicContact CD1-CD2 4.11Å; L228-Y294 HydrophobicContact CD1-CG 4.11Å; Y229-Y294 CarbonylContact O-C 3.53Å; Y229-Y294 WeakPolarHBondContact O-CA 3.39Å; L239-Y294 HydrophobicContact CD1-CD1 3.43Å; L239-Y294 VanDerWaalsContact CD1-CD1 3.43Å; L239-Y294 HydrophobicContact CD1-CE1 3.37Å; L239-Y294 HydrophobicContact CD1-CG 4.5Å; I250-Y294 HydrophobicContact CD1-CE2 4.34Å; I250-Y294 HydrophobicContact CG1-CE2 4.34Å; I250-Y294 HydrophobicContact CG2-CE2 4.49Å; F279-Y294 HydrophobicContact CD1-CD2 4.23Å; F279-Y294 PolarHBondContact N-O 2.96Å; F279-Y294 PolarHBondContact O-N 3.37Å; F279-Y294 VanDerWaalsContact O-O 3.08Å; I281-Y294 HydrophobicContact CD1-CD2 4.42Å; I281-Y294 HydrophobicContact CD1-CE2 4.16Å; L292-Y294 HydrophobicContact CB-CE2 3.79Å; L292-Y294 HydrophobicContact CD1-CE2 4.39Å
295Y94.8Very high81Confident41 Ų4161.8 Ų61.816%0.16134%0.344CS..EExtended strand (participates in β ladder)trans-137.7148.3175.6-54.3-93.7000110.9Y229 K232 K277 K278 I293Y229-Y295 WeakPolarHBondContact CD2-O 3.34Å; Y229-Y295 PolarHBondContact N-O 2.68Å; Y229-Y295 PolarHBondContact O-N 2.78Å; K232-Y295 HydrophobicContact CB-CD1 4.43Å; K232-Y295 HydrophobicContact CB-CE1 4.01Å; K232-Y295 HydrophobicContact CB-CE2 4.29Å; K277-Y295 HydrophobicContact CG-CD1 4.3Å; K277-Y295 VanDerWaalsContact O-CA 3.22Å; K277-Y295 WeakPolarHBondContact O-CA 3.31Å; K277-Y295 WeakPolarHBondContact O-CB 3.27Å; K278-Y295 HydrophobicContact CB-CD1 4.04Å; K278-Y295 HydrophobicContact CB-CE1 3.91Å; K278-Y295 HydrophobicContact CG-CD1 4.24Å; K278-Y295 HydrophobicContact CG-CE1 3.8Å; I293-Y295 HydrophobicContact CG2-CE2 4.39Å
296T92Very high82.3Confident1 Ų160.5 Ų60.51%0.00633%0.326CS..  trans-10317.618069.20000113.6L228 F274 K277 F279 C298 R301 S302 L305L228-T296 HydrophobicContact CD2-CG2 4.02Å; F274-T296 HydrophobicContact CE1-CG2 3.86Å; K277-T296 PolarHBondContact O-N 2.9Å; F279-T296 HydrophobicContact CB-CG2 4.22Å; T296-C298 PolarHBondContact O-N 2.92Å; T296-C298 PolarHBondContact OG1-O 3.12Å; T296-R301 PolarHBondContact O-NE 3.45Å; T296-R301 VanDerWaalsContact O-NE 3.15Å; T296-R301 PolarHBondContact O-NH2 2.78Å; T296-S302 WeakPolarHBondContact OG1-CA 3.21Å; T296-S302 WeakPolarHBondContact OG1-CB 3.48Å; T296-S302 PolarHBondContact OG1-N 3.18Å; T296-S302 VanDerWaalsContact OG1-N 3.12Å; T296-S302 PolarHBondContact OG1-OG 2.92Å; T296-L305 HydrophobicContact CG2-CD2 3.94Å
297G89.3Confident84Confident31 Ų3156.8 Ų56.832%0.3231%0.305SS..SBendtrans76.7-56.6-174.700000113.9K277K277-G297 WeakPolarHBondContact CD-O 3.49Å
298C87.9Confident85.8Confident58 Ų5850.9 Ų50.939%0.39227%0.266SS..SBendtrans-136.1157-178.873.70000113.9T296 L300 R301 S302T296-C298 PolarHBondContact O-N 2.92Å; T296-C298 PolarHBondContact OG1-O 3.12Å; C298-L300 VanDerWaalsContact C-N 3.34Å; C298-L300 PolarHBondContact O-N 3.35Å; C298-R301 PolarHBondContact O-N 3.08Å; C298-S302 PolarHBondContact O-N 3.18Å; C298-S302 VanDerWaalsContact O-N 3.14Å
299P88.3Confident87.8Confident79 Ų7945.5 Ų45.551%0.51323%0.228SC..Hα-helixtrans-64.2-31.3-179.4-23.734.9000115G276 K277 R301 S302 R303G276-P299 VanDerWaalsContact O-CA 3.3Å; G276-P299 WeakPolarHBondContact O-CA 3.47Å; G276-P299 WeakPolarHBondContact O-CB 3.46Å; K277-P299 HydrophobicContact CB-CG 4.48Å; P299-R301 PolarHBondContact O-N 3.5Å; P299-S302 WeakPolarHBondContact O-CB 3.49Å; P299-S302 PolarHBondContact O-N 3.11Å; P299-R303 PolarHBondContact O-N 3.15Å
300L84.2Confident89.2Confident64 Ų6443.8 Ų43.834%0.33521%0.214SC..Hα-helixtrans-61.8-44.4175.8-177.463.8000111.1C298 S302 R303 H304C298-L300 VanDerWaalsContact C-N 3.34Å; C298-L300 PolarHBondContact O-N 3.35Å; L300-S302 VanDerWaalsContact C-N 3.34Å; L300-R303 PolarHBondContact O-N 3.39Å; L300-H304 WeakPolarHBondContact O-CB 3.49Å; L300-H304 PolarHBondContact O-N 2.78Å
301R87.4Confident90Very high17 Ų1735.1 Ų35.16%0.06418%0.183CC..Hα-helixtrans-68.9-32.6175.6-161.4172.686.6-166.4-3.1112.1E66 I68 R227 T296 C298 P299 L305E66-R301 VanDerWaalsContact CD-NH1 3.28Å; E66-R301 IonicContact OE1-CZ 2.84Å; E66-R301 IonicContact OE1-NH1 3.88Å; E66-R301 PolarHBondContact OE1-NH1 3.14Å; E66-R301 VanDerWaalsContact OE1-NH1 3.12Å; E66-R301 WeakPolarHBondContact OE2-CD 3.3Å; E66-R301 IonicContact OE2-CZ 2.62Å; E66-R301 IonicContact OE2-NE 3.92Å; E66-R301 IonicContact OE2-NH1 3.69Å; E66-R301 PolarHBondContact OE2-NH1 3.32Å; I68-R301 HydrophobicContact CD1-CG 4.33Å; R227-R301 PolarHBondContact O-NH2 2.63Å; T296-R301 PolarHBondContact O-NE 3.45Å; T296-R301 VanDerWaalsContact O-NE 3.15Å; T296-R301 PolarHBondContact O-NH2 2.78Å; C298-R301 PolarHBondContact O-N 3.08Å; P299-R301 PolarHBondContact O-N 3.5Å; R301-L305 WeakPolarHBondContact O-CB 3.43Å; R301-L305 PolarHBondContact O-N 3.18Å
302S89.9Confident90.3Very high2 Ų231.3 Ų31.31%0.01417%0.169CC..Hα-helixtrans-59.5-50.9172.2-81.90000111.7F274 G276 K277 T296 C298 P299 L300 L305 L306F274-S302 VanDerWaalsContact CD1-CB 3.42Å; F274-S302 WeakPolarHBondContact CD1-OG 3.5Å; F274-S302 WeakPolarHBondContact CE1-O 3.29Å; G276-S302 VanDerWaalsContact O-CB 3.27Å; G276-S302 WeakPolarHBondContact O-CB 3.28Å; G276-S302 PolarHBondContact O-OG 2.62Å; K277-S302 WeakPolarHBondContact CA-OG 3.45Å; T296-S302 WeakPolarHBondContact OG1-CA 3.21Å; T296-S302 WeakPolarHBondContact OG1-CB 3.48Å; T296-S302 PolarHBondContact OG1-N 3.18Å; T296-S302 VanDerWaalsContact OG1-N 3.12Å; T296-S302 PolarHBondContact OG1-OG 2.92Å; C298-S302 PolarHBondContact O-N 3.18Å; C298-S302 VanDerWaalsContact O-N 3.14Å; P299-S302 WeakPolarHBondContact O-CB 3.49Å; P299-S302 PolarHBondContact O-N 3.11Å; L300-S302 VanDerWaalsContact C-N 3.34Å; S302-L305 PolarHBondContact O-N 3.34Å; S302-L306 WeakPolarHBondContact O-CB 3.22Å; S302-L306 PolarHBondContact O-N 3.27Å
303R86.6Confident90.4Very high94 Ų9430.2 Ų30.236%0.35516%0.163SC..Hα-helixtrans-65.1-45.2-179.9-172179.265.6-172.12.1112.6E71 P299 L300 L305 L306 Q307E71-R303 IonicContact OE1-CZ 2.67Å; E71-R303 VanDerWaalsContact OE1-CZ 3.23Å; E71-R303 IonicContact OE1-NE 3.22Å; E71-R303 PolarHBondContact OE1-NE 2.88Å; E71-R303 IonicContact OE1-NH2 3.81Å; E71-R303 PolarHBondContact OE1-NH2 3.45Å; E71-R303 IonicContact OE2-CZ 2.71Å; E71-R303 IonicContact OE2-NE 3.51Å; E71-R303 IonicContact OE2-NH2 2.76Å; E71-R303 PolarHBondContact OE2-NH2 3.21Å; P299-R303 PolarHBondContact O-N 3.15Å; L300-R303 PolarHBondContact O-N 3.39Å; R303-L305 VanDerWaalsContact C-N 3.35Å; R303-L305 PolarHBondContact O-N 2.82Å; R303-L306 PolarHBondContact O-N 3.38Å; R303-Q307 PolarHBondContact O-N 3.45Å
304H87.6Confident90.2Very high7 Ų728.6 Ų28.63%0.03215%0.153CC..Hα-helixtrans-58.1-46.3175.5168.1-95000111.8Y69 Y226 L300 Q307 L308Y69-H304 WeakPolarHBondContact CB-NE2 3.49Å; Y69-H304 AromaticContact CD2-NE2 3.72Å; Y69-H304 PolarHBondContact N-NE2 2.92Å; Y69-H304 PolarHBondContact O-CD2 2.8Å; Y226-H304 AromaticContact CE1-CE1 3.93Å; Y226-H304 AromaticContact CZ-CE1 3.96Å; L300-H304 WeakPolarHBondContact O-CB 3.49Å; L300-H304 PolarHBondContact O-N 2.78Å; H304-Q307 PolarHBondContact O-N 3.31Å; H304-L308 PolarHBondContact O-N 2.88Å
305L92Very high90Very high1 Ų128.1 Ų28.11%0.00515%0.151CC..Hα-helixtrans-64.5-42.5178.1-178.260.5000111.7Y226 L228 L241 F274 T296 R301 S302 R303 L308 L309Y226-L305 HydrophobicContact CD2-CD1 3.63Å; Y226-L305 HydrophobicContact CE2-CD1 4.05Å; Y226-L305 HydrophobicContact CG-CD1 4Å; L228-L305 HydrophobicContact CD2-CD2 4.46Å; L241-L305 HydrophobicContact CD1-CD2 4.44Å; L241-L305 HydrophobicContact CD2-CD1 4.19Å; F274-L305 HydrophobicContact CE1-CB 4.41Å; F274-L305 HydrophobicContact CE1-CD2 4.24Å; F274-L305 HydrophobicContact CZ-CB 4.16Å; F274-L305 HydrophobicContact CZ-CD2 4.04Å; F274-L305 HydrophobicContact CZ-CG 3.99Å; T296-L305 HydrophobicContact CG2-CD2 3.94Å; R301-L305 WeakPolarHBondContact O-CB 3.43Å; R301-L305 PolarHBondContact O-N 3.18Å; S302-L305 PolarHBondContact O-N 3.34Å; R303-L305 VanDerWaalsContact C-N 3.35Å; R303-L305 PolarHBondContact O-N 2.82Å; L305-L308 PolarHBondContact O-N 2.92Å; L305-L309 HydrophobicContact CD1-CD1 3.93Å; L305-L309 HydrophobicContact CD1-CD2 4.45Å; L305-L309 HydrophobicContact CD1-CG 3.95Å; L305-L309 HydrophobicContact CD2-CD1 4.46Å; L305-L309 HydrophobicContact CG-CD1 3.78Å; L305-L309 HydrophobicContact CG-CG 4.23Å; L305-L309 WeakPolarHBondContact O-CB 3.43Å; L305-L309 WeakPolarHBondContact O-CG 3.47Å; L305-L309 PolarHBondContact O-N 3.31Å
306L90.7Very high89.7Confident17 Ų1728.2 Ų28.29%0.08915%0.152CC..Hα-helixtrans-57.2-51.2174.4179.453.2000111.6L272 F274 S302 R303 L308 L309 S310 H551L272-L306 HydrophobicContact CB-CD1 4.43Å; F274-L306 HydrophobicContact CB-CD2 4.43Å; F274-L306 HydrophobicContact CD2-CB 3.54Å; F274-L306 HydrophobicContact CD2-CD1 3.73Å; F274-L306 HydrophobicContact CD2-CD2 3.88Å; F274-L306 HydrophobicContact CD2-CG 3.89Å; F274-L306 HydrophobicContact CE2-CB 3.5Å; F274-L306 VanDerWaalsContact CE2-CB 3.5Å; F274-L306 HydrophobicContact CE2-CD1 3.76Å; F274-L306 HydrophobicContact CE2-CG 4.1Å; F274-L306 HydrophobicContact CG-CB 4.23Å; F274-L306 HydrophobicContact CG-CD2 4.48Å; F274-L306 HydrophobicContact CZ-CB 4.16Å; S302-L306 WeakPolarHBondContact O-CB 3.22Å; S302-L306 PolarHBondContact O-N 3.27Å; R303-L306 PolarHBondContact O-N 3.38Å; L306-L308 VanDerWaalsContact C-N 3.31Å; L306-L308 PolarHBondContact O-N 3.46Å; L306-L309 PolarHBondContact O-N 3.1Å; L306-S310 WeakPolarHBondContact O-CB 3.4Å; L306-S310 PolarHBondContact O-N 3.44Å; L306-S310 PolarHBondContact O-OG 3.42Å; L306-H551 HydrophobicContact CD2-CB 3.47Å; L306-H551 VanDerWaalsContact CD2-CB 3.47Å
307Q89.4Confident89.5Confident80 Ų8031 Ų3137%0.37417%0.165SC..Hα-helixtrans-59.2-43-179.1-177.3175.6-100111.7R303 H304 N311R303-Q307 PolarHBondContact O-N 3.45Å; H304-Q307 PolarHBondContact O-N 3.31Å; Q307-N311 VanDerWaalsContact O-CB 3.3Å; Q307-N311 WeakPolarHBondContact O-CB 3.28Å; Q307-N311 VanDerWaalsContact O-CG 3.28Å; Q307-N311 PolarHBondContact O-N 3.47Å
308L91.8Very high89.3Confident2 Ų230.9 Ų30.91%0.0116%0.157CC..Hα-helixtrans-66.1-47.5177.4-171.566.4000111.7Y69 Q106 Y107 Y226 L243 H304 L305 L306 N311 S312Y69-L308 HydrophobicContact CD2-CD2 4.48Å; Q106-L308 HydrophobicContact CG-CD1 3.8Å; Y107-L308 HydrophobicContact CE1-CD1 3.93Å; Y226-L308 HydrophobicContact CE2-CD2 3.72Å; Y226-L308 VanDerWaalsContact OH-CD2 3.23Å; Y226-L308 WeakPolarHBondContact OH-CD2 3.47Å; L243-L308 HydrophobicContact CD2-CD2 3.64Å; L243-L308 HydrophobicContact CD2-CG 3.58Å; H304-L308 PolarHBondContact O-N 2.88Å; L305-L308 PolarHBondContact O-N 2.92Å; L306-L308 VanDerWaalsContact C-N 3.31Å; L306-L308 PolarHBondContact O-N 3.46Å; L308-N311 PolarHBondContact O-N 3.06Å; L308-S312 WeakPolarHBondContact O-CB 3.36Å; L308-S312 PolarHBondContact O-N 2.84Å; L308-S312 PolarHBondContact O-OG 3Å
309L94Very high89.3Confident0 Ų028.4 Ų28.40%014%0.14CC..Hα-helixtrans-61-46178.3-69.4174.7000112.1L241 L243 I248 W266 L272 F274 F279 L305 L306 H313L241-L309 HydrophobicContact CD1-CD1 4.42Å; L241-L309 HydrophobicContact CD2-CD2 4.45Å; L243-L309 HydrophobicContact CB-CD2 4.26Å; L243-L309 HydrophobicContact CD1-CD2 3.71Å; L243-L309 HydrophobicContact CD2-CD2 4.06Å; L243-L309 HydrophobicContact CG-CD2 4.22Å; I248-L309 HydrophobicContact CD1-CD1 4.2Å; I248-L309 HydrophobicContact CD1-CD2 3.84Å; I248-L309 HydrophobicContact CG1-CD2 3.93Å; W266-L309 HydrophobicContact CH2-CD2 4.15Å; L272-L309 HydrophobicContact CD1-CB 3.8Å; L272-L309 HydrophobicContact CD1-CD1 3.66Å; L272-L309 HydrophobicContact CD1-CG 4.31Å; F274-L309 HydrophobicContact CZ-CD1 4.46Å; F279-L309 HydrophobicContact CE2-CD1 4.21Å; F279-L309 HydrophobicContact CZ-CD1 3.92Å; L305-L309 HydrophobicContact CD1-CD1 3.93Å; L305-L309 HydrophobicContact CD1-CD2 4.45Å; L305-L309 HydrophobicContact CD1-CG 3.95Å; L305-L309 HydrophobicContact CD2-CD1 4.46Å; L305-L309 HydrophobicContact CG-CD1 3.78Å; L305-L309 HydrophobicContact CG-CG 4.23Å; L305-L309 WeakPolarHBondContact O-CB 3.43Å; L305-L309 WeakPolarHBondContact O-CG 3.47Å; L305-L309 PolarHBondContact O-N 3.31Å; L306-L309 PolarHBondContact O-N 3.1Å; L309-H313 VanDerWaalsContact O-CB 3.32Å; L309-H313 WeakPolarHBondContact O-CB 3.5Å; L309-H313 PolarHBondContact O-N 3.06Å
310S90.4Very high89.3Confident8 Ų827.4 Ų27.46%0.05613%0.128CC..Hα-helixtrans-62.9-44.3178-69.40000112.6L306 R314 Y553L306-S310 WeakPolarHBondContact O-CB 3.4Å; L306-S310 PolarHBondContact O-N 3.44Å; L306-S310 PolarHBondContact O-OG 3.42Å; S310-R314 WeakPolarHBondContact O-CB 3.48Å; S310-R314 PolarHBondContact O-N 3.18Å; S310-Y553 VanDerWaalsContact OG-CB 3.24Å; S310-Y553 WeakPolarHBondContact OG-CB 3.33Å; S310-Y553 WeakPolarHBondContact OG-CD2 3.3Å
311N90.8Very high89.3Confident31 Ų3128.1 Ų28.117%0.16614%0.137CC..Hα-helixtrans-71.4-40.6179.8-73.25.8000111.9Y107 Q307 L308 H313 R314 L315Y107-N311 HydrophobicContact CE1-CB 3.67Å; Y107-N311 VanDerWaalsContact OH-CB 3.26Å; Y107-N311 WeakPolarHBondContact OH-CB 3.38Å; Y107-N311 PolarHBondContact OH-ND2 3.2Å; Y107-N311 VanDerWaalsContact OH-ND2 3.08Å; Q307-N311 VanDerWaalsContact O-CB 3.3Å; Q307-N311 WeakPolarHBondContact O-CB 3.28Å; Q307-N311 VanDerWaalsContact O-CG 3.28Å; Q307-N311 PolarHBondContact O-N 3.47Å; L308-N311 PolarHBondContact O-N 3.06Å; N311-H313 VanDerWaalsContact C-N 3.34Å; N311-H313 PolarHBondContact O-N 3.38Å; N311-R314 PolarHBondContact O-N 2.97Å; N311-R314 PolarHBondContact OD1-NH1 3.03Å; N311-L315 WeakPolarHBondContact O-CB 3.44Å; N311-L315 PolarHBondContact O-N 3.29Å
312S92.6Very high89.2Confident17 Ų1727.7 Ų27.712%0.11914%0.136CC..Hα-helixtrans-63.6-38.5174.9-69.20000112.2L308 Y316L308-S312 WeakPolarHBondContact O-CB 3.36Å; L308-S312 PolarHBondContact O-N 2.84Å; L308-S312 PolarHBondContact O-OG 3Å; S312-Y316 WeakPolarHBondContact O-CB 3.42Å; S312-Y316 PolarHBondContact O-N 3.38Å
313H90.9Very high89Confident5 Ų528 Ų282%0.02314%0.138CC..Hα-helixtrans-64.5-47.7173171.1-99.4000112.6W266 L309 N311 L315 Y316 M317 Y553 F555W266-H313 HydrophobicContact CD2-CB 4.15Å; W266-H313 AromaticContact CD2-CD2 3.91Å; W266-H313 HydrophobicContact CE3-CB 3.8Å; W266-H313 AromaticContact CE3-CD2 3.7Å; W266-H313 HydrophobicContact CH2-CB 4.18Å; W266-H313 HydrophobicContact CZ2-CB 4.5Å; W266-H313 HydrophobicContact CZ3-CB 3.82Å; L309-H313 VanDerWaalsContact O-CB 3.32Å; L309-H313 WeakPolarHBondContact O-CB 3.5Å; L309-H313 PolarHBondContact O-N 3.06Å; N311-H313 VanDerWaalsContact C-N 3.34Å; N311-H313 PolarHBondContact O-N 3.38Å; H313-L315 VanDerWaalsContact C-N 3.31Å; H313-L315 PolarHBondContact O-N 1.96Å; H313-Y316 WeakPolarHBondContact O-CB 3.22Å; H313-Y316 PolarHBondContact O-N 3.46Å; H313-M317 WeakPolarHBondContact NE2-CE 3.46Å; H313-M317 WeakPolarHBondContact NE2-CG 3.27Å; H313-M317 PolarHBondContact O-N 2.88Å; H313-Y553 AromaticContact ND1-CE1 3.75Å; H313-F555 HydrophobicContact CB-CD1 4.26Å; H313-F555 HydrophobicContact CB-CE1 3.61Å; H313-F555 HydrophobicContact CB-CZ 4.34Å; H313-F555 AromaticContact CD2-CD1 3.29Å; H313-F555 WeakPolarHBondContact CD2-CD1 3.43Å; H313-F555 AromaticContact CD2-CE1 3.46Å; H313-F555 VanDerWaalsContact CD2-CE1 3.46Å; H313-F555 WeakPolarHBondContact CD2-CE1 3.31Å; H313-F555 AromaticContact CE1-CD1 3.51Å; H313-F555 AromaticContact CG-CD1 3.39Å; H313-F555 AromaticContact CG-CE1 3.25Å; H313-F555 AromaticContact ND1-CD1 3.54Å; H313-F555 AromaticContact ND1-CE1 3.75Å; H313-F555 AromaticContact NE2-CD1 3.36Å; H313-F555 WeakPolarHBondContact NE2-CD1 3.37Å
314R89Confident89Confident31 Ų3131 Ų3112%0.11715%0.153CC..Hα-helixtrans-57.3-46.7176.5178.6-166-741226.7110.7S310 N311 Y316 M317 N318 L469 M471S310-R314 WeakPolarHBondContact O-CB 3.48Å; S310-R314 PolarHBondContact O-N 3.18Å; N311-R314 PolarHBondContact O-N 2.97Å; N311-R314 PolarHBondContact OD1-NH1 3.03Å; R314-Y316 PolarHBondContact O-N 3.11Å; R314-M317 PolarHBondContact O-N 2.6Å; R314-N318 WeakPolarHBondContact O-CB 3.44Å; R314-N318 VanDerWaalsContact O-CG 3.28Å; R314-N318 PolarHBondContact O-N 2.94Å; R314-N318 PolarHBondContact O-ND2 3.39Å; R314-L469 VanDerWaalsContact CD-O 3.26Å; R314-L469 WeakPolarHBondContact CD-O 3.32Å; R314-L469 PolarHBondContact NH1-O 3.34Å; R314-M471 WeakPolarHBondContact CD-O 3.32Å; R314-M471 WeakPolarHBondContact CG-O 3.27Å; R314-M471 PolarHBondContact NE-O 2.8Å
315L89.8Confident89Confident4 Ų433.3 Ų33.32%0.02116%0.164CC..Hα-helixtrans-58-48.2175.4-179.867.3000111.3Y107 N311 H313 M317 N318 L319 I464 M468 L469Y107-L315 HydrophobicContact CD1-CD2 4.41Å; Y107-L315 HydrophobicContact CG-CD2 4.34Å; N311-L315 WeakPolarHBondContact O-CB 3.44Å; N311-L315 PolarHBondContact O-N 3.29Å; H313-L315 VanDerWaalsContact C-N 3.31Å; H313-L315 PolarHBondContact O-N 1.96Å; L315-M317 VanDerWaalsContact C-N 3.35Å; L315-M317 PolarHBondContact O-N 2.7Å; L315-N318 PolarHBondContact O-N 2.87Å; L315-L319 HydrophobicContact CD1-CD1 3.84Å; L315-L319 HydrophobicContact CD1-CG 3.95Å; L315-L319 HydrophobicContact CD2-CD1 4.27Å; L315-L319 HydrophobicContact CG-CD1 3.73Å; L315-L319 HydrophobicContact CG-CG 4.2Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.38Å; L315-L319 PolarHBondContact O-N 3.4Å; L315-I464 HydrophobicContact CD1-CD1 4.46Å; L315-I464 HydrophobicContact CD1-CG2 4.02Å; L315-M468 HydrophobicContact CD1-CB 4.44Å; L315-L469 HydrophobicContact CB-CD2 4Å; L315-L469 HydrophobicContact CD1-CD2 4.14Å; L315-L469 HydrophobicContact CD1-CG 4.22Å; L315-L469 HydrophobicContact CD2-CD2 4.11Å; L315-L469 HydrophobicContact CG-CD2 4.3Å
316Y90.1Very high88.8Confident44 Ų4433.6 Ų33.617%0.17317%0.166CC..Hα-helixtrans-55.9-47.5178.3170.2-93.6000112.1L245 W266 S312 H313 R314 L319 Q320L245-Y316 VanDerWaalsContact O-CD2 3.26Å; L245-Y316 WeakPolarHBondContact O-CD2 3.21Å; W266-Y316 HydrophobicContact CB-CD1 3.51Å; W266-Y316 HydrophobicContact CB-CE1 3.57Å; W266-Y316 HydrophobicContact CB-CG 4.17Å; W266-Y316 AromaticContact CD1-CD1 3.51Å; W266-Y316 AromaticContact CD1-CD2 3.49Å; W266-Y316 VanDerWaalsContact CD1-CD2 3.49Å; W266-Y316 AromaticContact CD1-CE2 3.99Å; W266-Y316 AromaticContact CD1-CG 3.21Å; W266-Y316 AromaticContact CG-CD1 3.76Å; W266-Y316 HydrophobicContact CG-CD1 3.76Å; W266-Y316 HydrophobicContact CG-CD2 4.48Å; W266-Y316 HydrophobicContact CG-CE1 4.2Å; W266-Y316 AromaticContact CG-CG 3.92Å; W266-Y316 HydrophobicContact CG-CG 3.92Å; W266-Y316 AromaticContact NE1-CG 3.96Å; S312-Y316 WeakPolarHBondContact O-CB 3.42Å; S312-Y316 PolarHBondContact O-N 3.38Å; H313-Y316 WeakPolarHBondContact O-CB 3.22Å; H313-Y316 PolarHBondContact O-N 3.46Å; R314-Y316 PolarHBondContact O-N 3.11Å; Y316-L319 PolarHBondContact O-N 2.94Å; Y316-Q320 HydrophobicContact CE1-CG 4.34Å; Y316-Q320 WeakPolarHBondContact O-CG 3.37Å; Y316-Q320 PolarHBondContact O-N 2.93Å; Y316-Q320 PolarHBondContact O-NE2 3.26Å
317M86.8Confident88.7Confident58 Ų5838.8 Ų38.829%0.28618%0.184SC..Hα-helixtrans-64.7-48.1179.4-70.2-61.5-178.400111.5W266 H313 R314 L315 L319 Q320W266-M317 HydrophobicContact CB-CE 4.48Å; H313-M317 WeakPolarHBondContact NE2-CE 3.46Å; H313-M317 WeakPolarHBondContact NE2-CG 3.27Å; H313-M317 PolarHBondContact O-N 2.88Å; R314-M317 PolarHBondContact O-N 2.6Å; L315-M317 VanDerWaalsContact C-N 3.35Å; L315-M317 PolarHBondContact O-N 2.7Å; M317-L319 PolarHBondContact O-N 3.46Å; M317-Q320 PolarHBondContact O-N 3.33Å
318N86.1Confident88.6Confident29 Ų2942.2 Ų42.216%0.15519%0.194CC..Hα-helixtrans-63.8-29.7178.7-69.6-15000112.2R314 L315 M468R314-N318 WeakPolarHBondContact O-CB 3.44Å; R314-N318 VanDerWaalsContact O-CG 3.28Å; R314-N318 PolarHBondContact O-N 2.94Å; R314-N318 PolarHBondContact O-ND2 3.39Å; L315-N318 PolarHBondContact O-N 2.87Å; N318-M468 HydrophobicContact CB-CB 4.21Å; N318-M468 HydrophobicContact CB-CE 3.81Å; N318-M468 PolarHBondContact ND2-O 2.9Å; N318-M468 WeakPolarHBondContact O-CE 3.3Å
319L87.3Confident88.4Confident7 Ų745.2 Ų45.24%0.03721%0.21CC..Hα-helixtrans-77.9-19.4178-84179.6000115.1L114 L315 Y316 M317 V322 L323 I464 M468L114-L319 HydrophobicContact CD1-CD1 4.34Å; L114-L319 HydrophobicContact CD1-CD2 3.84Å; L114-L319 HydrophobicContact CD2-CD2 4.34Å; L315-L319 HydrophobicContact CD1-CD1 3.84Å; L315-L319 HydrophobicContact CD1-CG 3.95Å; L315-L319 HydrophobicContact CD2-CD1 4.27Å; L315-L319 HydrophobicContact CG-CD1 3.73Å; L315-L319 HydrophobicContact CG-CG 4.2Å; L315-L319 WeakPolarHBondContact O-CB 3.42Å; L315-L319 WeakPolarHBondContact O-CG 3.38Å; L315-L319 PolarHBondContact O-N 3.4Å; Y316-L319 PolarHBondContact O-N 2.94Å; M317-L319 PolarHBondContact O-N 3.46Å; L319-V322 HydrophobicContact CD2-CB 4.32Å; L319-V322 HydrophobicContact CD2-CG1 3.76Å; L319-V322 WeakPolarHBondContact O-CB 3.2Å; L319-V322 PolarHBondContact O-N 3.16Å; L319-L323 HydrophobicContact CB-CD1 4Å; L319-L323 HydrophobicContact CB-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CG 3.22Å; L319-L323 PolarHBondContact O-N 3.45Å; L319-I464 HydrophobicContact CD1-CD1 4.15Å; L319-I464 HydrophobicContact CD2-CD1 4.09Å; L319-I464 HydrophobicContact CD2-CG1 3.71Å; L319-M468 HydrophobicContact CD2-CE 3.92Å; L319-M468 HydrophobicContact CG-CE 4.23Å
320Q87.5Confident88.1Confident57 Ų5746.1 Ų46.127%0.26621%0.214SC..Hα-helixtrans-55.9-50-176.5-66.1-45.6-63.700115.2Y316 M317 V322 L323 K324Y316-Q320 HydrophobicContact CE1-CG 4.34Å; Y316-Q320 WeakPolarHBondContact O-CG 3.37Å; Y316-Q320 PolarHBondContact O-N 2.93Å; Y316-Q320 PolarHBondContact O-NE2 3.26Å; M317-Q320 PolarHBondContact O-N 3.33Å; Q320-V322 VanDerWaalsContact C-N 3.31Å; Q320-V322 PolarHBondContact O-N 3.18Å; Q320-L323 PolarHBondContact O-N 3.35Å; Q320-K324 PolarHBondContact O-N 2.81Å; Q320-K324 VanDerWaalsContact O-N 3.08Å
321P84.9Confident88Confident80 Ų8050.3 Ų50.352%0.51923%0.233SC..Hα-helixtrans-64.3-38.9178.124.7-34.2000112K324 Q325P321-K324 PolarHBondContact O-N 3.02Å; P321-Q325 PolarHBondContact O-N 3.22Å; P321-Q325 VanDerWaalsContact O-N 3.14Å
322V85.1Confident87.8Confident8 Ų852.1 Ų52.15%0.04824%0.242CC..Hα-helixtrans-60.3-52.8176.7154.70000111.3L114 L319 Q320 K324 Q325 V326 I462 M468 L482L114-V322 HydrophobicContact CD2-CG1 3.24Å; L319-V322 HydrophobicContact CD2-CB 4.32Å; L319-V322 HydrophobicContact CD2-CG1 3.76Å; L319-V322 WeakPolarHBondContact O-CB 3.2Å; L319-V322 PolarHBondContact O-N 3.16Å; Q320-V322 VanDerWaalsContact C-N 3.31Å; Q320-V322 PolarHBondContact O-N 3.18Å; V322-K324 VanDerWaalsContact C-N 3.3Å; V322-K324 PolarHBondContact O-N 3.22Å; V322-Q325 PolarHBondContact O-N 2.98Å; V322-Q325 VanDerWaalsContact O-N 3.11Å; V322-V326 WeakPolarHBondContact O-CG2 3.49Å; V322-V326 PolarHBondContact O-N 3.41Å; V322-I462 HydrophobicContact CB-CG2 3.95Å; V322-I462 HydrophobicContact CG1-CG2 3.49Å; V322-I462 VanDerWaalsContact CG1-CG2 3.49Å; V322-I462 HydrophobicContact CG2-CG2 3.7Å; V322-M468 HydrophobicContact CG2-CE 4.14Å; V322-L482 HydrophobicContact CG2-CD2 3.77Å
323L86.4Confident87.5Confident9 Ų954.5 Ų54.55%0.04725%0.251CS..Hα-helixtrans-63.4-32.1178.3-79.6167.3000113E110 N111 L114 L319 Q320 R327E110-L323 HydrophobicContact CB-CD2 4.11Å; N111-L323 HydrophobicContact CB-CD2 4.5Å; L114-L323 HydrophobicContact CD1-CD2 3.69Å; L114-L323 HydrophobicContact CD1-CG 4.19Å; L319-L323 HydrophobicContact CB-CD1 4Å; L319-L323 HydrophobicContact CB-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CG 3.22Å; L319-L323 PolarHBondContact O-N 3.45Å; Q320-L323 PolarHBondContact O-N 3.35Å; L323-R327 WeakPolarHBondContact O-CB 3.42Å; L323-R327 WeakPolarHBondContact O-CG 3.49Å; L323-R327 PolarHBondContact O-N 3.11Å; L323-R327 VanDerWaalsContact O-N 3.12Å; L323-R327 PolarHBondContact O-NE 2.91Å
324K86.9Confident87.3Confident155 Ų15559.5 Ų59.567%0.67428%0.275SS*.Hα-helixtrans-65.5-41.5173.2-173.1178.2-179.1179.30111.2Q320 P321 V322 R328Q320-K324 PolarHBondContact O-N 2.81Å; Q320-K324 VanDerWaalsContact O-N 3.08Å; P321-K324 PolarHBondContact O-N 3.02Å; V322-K324 VanDerWaalsContact C-N 3.3Å; V322-K324 PolarHBondContact O-N 3.22Å; K324-R328 PolarHBondContact O-N 3.01Å
325Q86.2Confident87.1Confident56 Ų5662.8 Ų62.826%0.26229%0.29SS..Hα-helixtrans-73-40.1178.1-176.960.812.300112.3P321 V322 R327 R328 L329 I462P321-Q325 PolarHBondContact O-N 3.22Å; P321-Q325 VanDerWaalsContact O-N 3.14Å; V322-Q325 PolarHBondContact O-N 2.98Å; V322-Q325 VanDerWaalsContact O-N 3.11Å; Q325-R327 PolarHBondContact O-N 2.89Å; Q325-R328 PolarHBondContact O-N 3.34Å; Q325-L329 WeakPolarHBondContact O-CG 3.49Å; Q325-L329 PolarHBondContact O-N 2.81Å; Q325-I462 HydrophobicContact CB-CD1 3.85Å; Q325-I462 HydrophobicContact CG-CD1 3.28Å
326V88Confident86.9Confident8 Ų868.9 Ų68.95%0.04832%0.317CS..Hα-helixtrans-58-49.5174172.20000111R113 L114 V322 R328 L329 E330 I462R113-V326 HydrophobicContact CB-CG1 4.47Å; L114-V326 HydrophobicContact CD2-CG2 3.93Å; V322-V326 WeakPolarHBondContact O-CG2 3.49Å; V322-V326 PolarHBondContact O-N 3.41Å; V326-R328 VanDerWaalsContact C-N 3.31Å; V326-R328 PolarHBondContact O-N 3.49Å; V326-L329 WeakPolarHBondContact O-CB 3.38Å; V326-L329 PolarHBondContact O-N 3.38Å; V326-L329 VanDerWaalsContact O-N 3.07Å; V326-E330 HydrophobicContact CG1-CG 4.48Å; V326-E330 WeakPolarHBondContact O-CG 3.4Å; V326-E330 PolarHBondContact O-N 2.89Å; V326-I462 HydrophobicContact CG2-CB 4.44Å; V326-I462 HydrophobicContact CG2-CG2 4.47Å
327R89.1Confident86.5Confident125 Ų12571.7 Ų71.747%0.47233%0.331SS..Hα-helixtrans-57.9-41.1176.3-76.6-178.9-72.5-179.5-5.6112.9L323 Q325 L329 E330 E331L323-R327 WeakPolarHBondContact O-CB 3.42Å; L323-R327 WeakPolarHBondContact O-CG 3.49Å; L323-R327 PolarHBondContact O-N 3.11Å; L323-R327 VanDerWaalsContact O-N 3.12Å; L323-R327 PolarHBondContact O-NE 2.91Å; Q325-R327 PolarHBondContact O-N 2.89Å; R327-L329 VanDerWaalsContact C-N 3.31Å; R327-L329 PolarHBondContact O-N 3.26Å; R327-E330 PolarHBondContact O-N 3.45Å; R327-E331 WeakPolarHBondContact O-CB 3.48Å; R327-E331 WeakPolarHBondContact O-CG 3.47Å; R327-E331 PolarHBondContact O-N 2.92Å
328R87.4Confident86.3Confident153 Ų15375.7 Ų75.758%0.57734%0.344SS*.Hα-helixtrans-63.6-35176.3-173.8-176.9-179.1-166.11.1112.6K324 Q325 V326 N332K324-R328 PolarHBondContact O-N 3.01Å; Q325-R328 PolarHBondContact O-N 3.34Å; V326-R328 VanDerWaalsContact C-N 3.31Å; V326-R328 PolarHBondContact O-N 3.49Å; R328-N332 WeakPolarHBondContact O-CB 3.36Å; R328-N332 PolarHBondContact O-N 3.22Å; R328-N332 PolarHBondContact O-ND2 2.99Å; R328-N332 VanDerWaalsContact O-ND2 3.12Å
329L86.4Confident86.1Confident65 Ų6582.9 Ų82.934%0.3437%0.369SS..Hα-helixtrans-69.9-47.3175.6-69.1172.2000110.9Q325 V326 R327 E331 N332 E333 I462Q325-L329 WeakPolarHBondContact O-CG 3.49Å; Q325-L329 PolarHBondContact O-N 2.81Å; V326-L329 WeakPolarHBondContact O-CB 3.38Å; V326-L329 PolarHBondContact O-N 3.38Å; V326-L329 VanDerWaalsContact O-N 3.07Å; R327-L329 VanDerWaalsContact C-N 3.31Å; R327-L329 PolarHBondContact O-N 3.26Å; L329-E331 PolarHBondContact O-N 3.47Å; L329-N332 WeakPolarHBondContact O-CB 3.21Å; L329-N332 PolarHBondContact O-N 2.88Å; L329-N332 VanDerWaalsContact O-N 3.1Å; L329-E333 PolarHBondContact O-N 2.87Å; L329-I462 HydrophobicContact CD1-CD1 4.43Å
330E88.4Confident85.8Confident19 Ų1988 Ų889%0.08939%0.393CS..Hα-helixtrans-57.3-49.4175.4-66.1-177.9132.800111.6N111 R113 K213 V326 R327 N332 E333 E334N111-E330 VanDerWaalsContact ND2-CD 3.31Å; N111-E330 PolarHBondContact ND2-OE1 2.89Å; N111-E330 PolarHBondContact ND2-OE2 3.38Å; R113-E330 IonicContact NE-OE1 3.7Å; K213-E330 IonicContact NZ-OE1 3.55Å; K213-E330 PolarHBondContact NZ-OE1 3.23Å; K213-E330 IonicContact NZ-OE2 2.74Å; K213-E330 PolarHBondContact NZ-OE2 3.5Å; V326-E330 HydrophobicContact CG1-CG 4.48Å; V326-E330 WeakPolarHBondContact O-CG 3.4Å; V326-E330 PolarHBondContact O-N 2.89Å; R327-E330 PolarHBondContact O-N 3.45Å; E330-N332 PolarHBondContact O-N 2.7Å; E330-E333 WeakPolarHBondContact O-CB 3.29Å; E330-E333 PolarHBondContact O-N 3.38Å; E330-E333 VanDerWaalsContact O-N 3.08Å; E330-E334 WeakPolarHBondContact O-CG 3.39Å; E330-E334 PolarHBondContact O-N 3.43Å
331E88.6Confident85.3Confident95 Ų9587.7 Ų87.744%0.44440%0.397SS..Hα-helixtrans-57.4-34.5175.5-82.1-174.1-138.800113.4R327 L329 K335R327-E331 WeakPolarHBondContact O-CB 3.48Å; R327-E331 WeakPolarHBondContact O-CG 3.47Å; R327-E331 PolarHBondContact O-N 2.92Å; L329-E331 PolarHBondContact O-N 3.47Å; E331-K335 WeakPolarHBondContact O-CB 3.43Å; E331-K335 WeakPolarHBondContact O-CD 3.48Å; E331-K335 WeakPolarHBondContact O-CE 3.28Å; E331-K335 WeakPolarHBondContact O-CG 3.41Å; E331-K335 PolarHBondContact O-N 3Å; E331-K335 VanDerWaalsContact O-N 3.08Å; E331-K335 IonicContact OE2-NZ 2.76Å; E331-K335 PolarHBondContact OE2-NZ 3.12Å
332N86.5Confident84.7Confident70 Ų7090.4 Ų90.437%0.37440%0.398SS..Hα-helixtrans-76-33.1178.5-74.9-22.5000111.7R328 L329 E330 K336R328-N332 WeakPolarHBondContact O-CB 3.36Å; R328-N332 PolarHBondContact O-N 3.22Å; R328-N332 PolarHBondContact O-ND2 2.99Å; R328-N332 VanDerWaalsContact O-ND2 3.12Å; L329-N332 WeakPolarHBondContact O-CB 3.21Å; L329-N332 PolarHBondContact O-N 2.88Å; L329-N332 VanDerWaalsContact O-N 3.1Å; E330-N332 PolarHBondContact O-N 2.7Å; N332-K336 WeakPolarHBondContact O-CG 3.15Å; N332-K336 PolarHBondContact O-N 3.1Å; N332-K336 VanDerWaalsContact O-N 3.1Å
333E85.9Confident84.2Confident66 Ų6694.9 Ų94.931%0.30842%0.42SS..Hα-helixtrans-66.5-49.7173.3-162.6-169.115100110.6R113 L329 E330 K335 K336 Q337R113-E333 IonicContact CZ-OE2 2.67Å; R113-E333 IonicContact NH1-OE2 3.71Å; R113-E333 IonicContact NH2-OE1 3.5Å; R113-E333 IonicContact NH2-OE2 2.81Å; R113-E333 PolarHBondContact NH2-OE2 3.07Å; L329-E333 PolarHBondContact O-N 2.87Å; E330-E333 WeakPolarHBondContact O-CB 3.29Å; E330-E333 PolarHBondContact O-N 3.38Å; E330-E333 VanDerWaalsContact O-N 3.08Å; E333-K335 VanDerWaalsContact C-N 3.31Å; E333-K335 PolarHBondContact O-N 3.1Å; E333-K336 WeakPolarHBondContact O-CA 3.42Å; E333-K336 WeakPolarHBondContact O-CB 3.43Å; E333-K336 PolarHBondContact O-N 3.19Å; E333-Q337 WeakPolarHBondContact O-CG 3.32Å; E333-Q337 PolarHBondContact O-N 3.48Å; E333-Q337 PolarHBondContact OE1-NE2 2.94Å; E333-Q337 VanDerWaalsContact OE1-NE2 3.1Å
334E86.3Confident83.1Confident111 Ų11197.8 Ų97.852%0.51944%0.441SS..Hα-helixtrans-56.8-42.9174.4-70.2171.9-173.200111.5E330 K336 Q337 Y338E330-E334 WeakPolarHBondContact O-CG 3.39Å; E330-E334 PolarHBondContact O-N 3.43Å; E334-K336 VanDerWaalsContact C-N 3.31Å; E334-K336 PolarHBondContact O-N 2.92Å; E334-Q337 PolarHBondContact O-N 3.33Å; E334-Y338 VanDerWaalsContact O-CB 3.29Å; E334-Y338 WeakPolarHBondContact O-CB 3.31Å; E334-Y338 PolarHBondContact O-N 3.26Å
335K86.3Confident81.9Confident99 Ų9994.4 Ų94.443%0.4343%0.43SS..Hα-helixtrans-66.4-26.4175.2-73.3162.1-159.1159.50113.5E331 E333 R339E331-K335 WeakPolarHBondContact O-CB 3.43Å; E331-K335 WeakPolarHBondContact O-CD 3.48Å; E331-K335 WeakPolarHBondContact O-CE 3.28Å; E331-K335 WeakPolarHBondContact O-CG 3.41Å; E331-K335 PolarHBondContact O-N 3Å; E331-K335 VanDerWaalsContact O-N 3.08Å; E331-K335 IonicContact OE2-NZ 2.76Å; E331-K335 PolarHBondContact OE2-NZ 3.12Å; E333-K335 VanDerWaalsContact C-N 3.31Å; E333-K335 PolarHBondContact O-N 3.1Å; K335-R339 WeakPolarHBondContact O-CD 3.42Å; K335-R339 VanDerWaalsContact O-CG 3.24Å; K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 3.33Å
336K84.3Confident80.7Confident133 Ų13394.2 Ų94.258%0.57844%0.439SS*.Hα-helixtrans-75.4-52172.1-74.9172.5179.9-177.30110.4N332 E333 E334 Y338 R339 E340N332-K336 WeakPolarHBondContact O-CG 3.15Å; N332-K336 PolarHBondContact O-N 3.1Å; N332-K336 VanDerWaalsContact O-N 3.1Å; E333-K336 WeakPolarHBondContact O-CA 3.42Å; E333-K336 WeakPolarHBondContact O-CB 3.43Å; E333-K336 PolarHBondContact O-N 3.19Å; E334-K336 VanDerWaalsContact C-N 3.31Å; E334-K336 PolarHBondContact O-N 2.92Å; K336-Y338 VanDerWaalsContact C-N 3.26Å; K336-Y338 PolarHBondContact O-N 2.8Å; K336-R339 WeakPolarHBondContact O-CA 3.47Å; K336-R339 WeakPolarHBondContact O-CB 3.45Å; K336-R339 PolarHBondContact O-N 3.19Å; K336-E340 WeakPolarHBondContact O-CG 3.36Å; K336-E340 PolarHBondContact O-N 3.29Å
337Q81.8Confident79.3Confident103 Ų10398.9 Ų98.948%0.48146%0.463SS..Hα-helixtrans-54.4-43.1178-68.4172.73.900111.5E333 E334 R339 E340 S341E333-Q337 WeakPolarHBondContact O-CG 3.32Å; E333-Q337 PolarHBondContact O-N 3.48Å; E333-Q337 PolarHBondContact OE1-NE2 2.94Å; E333-Q337 VanDerWaalsContact OE1-NE2 3.1Å; E334-Q337 PolarHBondContact O-N 3.33Å; Q337-R339 PolarHBondContact O-N 2.75Å; Q337-E340 PolarHBondContact O-N 3.31Å; Q337-S341 PolarHBondContact O-N 2.81Å
338Y82.8Confident77.9Confident141 Ų14198.9 Ų98.955%0.55347%0.468SS*.Hα-helixtrans-64-35.8174.5-178.2-96.8000113.6E334 K336 S341 Y342E334-Y338 VanDerWaalsContact O-CB 3.29Å; E334-Y338 WeakPolarHBondContact O-CB 3.31Å; E334-Y338 PolarHBondContact O-N 3.26Å; K336-Y338 VanDerWaalsContact C-N 3.26Å; K336-Y338 PolarHBondContact O-N 2.8Å; Y338-S341 PolarHBondContact O-OG 3.28Å; Y338-S341 VanDerWaalsContact O-OG 3.06Å; Y338-Y342 HydrophobicContact CD1-CD2 4.42Å; Y338-Y342 HydrophobicContact CD1-CE2 4.48Å; Y338-Y342 HydrophobicContact CD2-CE2 4.25Å; Y338-Y342 HydrophobicContact CE1-CD2 4.1Å; Y338-Y342 AromaticContact CE1-CE2 3.81Å; Y338-Y342 HydrophobicContact CE1-CE2 3.81Å; Y338-Y342 HydrophobicContact CE2-CD2 4.24Å; Y338-Y342 AromaticContact CE2-CE2 3.54Å; Y338-Y342 HydrophobicContact CE2-CE2 3.54Å; Y338-Y342 AromaticContact CZ-CE2 3.28Å; Y338-Y342 AromaticContact CZ-CZ 3.91Å; Y338-Y342 VanDerWaalsContact O-CD2 3.3Å; Y338-Y342 WeakPolarHBondContact O-CD2 3.39Å; Y338-Y342 PolarHBondContact O-N 2.88Å; Y338-Y342 VanDerWaalsContact OH-CE2 3.32Å; Y338-Y342 WeakPolarHBondContact OH-CE2 3.45Å; Y338-Y342 PolarHBondContact OH-OH 3.1Å; Y338-Y342 VanDerWaalsContact OH-OH 3.12Å
339R81.6Confident76.5Confident180 Ų18096.4 Ų96.468%0.67947%0.466SS*.Hα-helixtrans-71-38.7174-73168.6-178.3-164.10.2111.6K335 K336 Q337 Y342 I343K335-R339 WeakPolarHBondContact O-CD 3.42Å; K335-R339 VanDerWaalsContact O-CG 3.24Å; K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 3.33Å; K336-R339 WeakPolarHBondContact O-CA 3.47Å; K336-R339 WeakPolarHBondContact O-CB 3.45Å; K336-R339 PolarHBondContact O-N 3.19Å; Q337-R339 PolarHBondContact O-N 2.75Å; R339-Y342 PolarHBondContact O-N 3Å; R339-I343 WeakPolarHBondContact O-CG1 3.4Å; R339-I343 PolarHBondContact O-N 2.97Å; R339-I343 VanDerWaalsContact O-N 3.09Å
340E81.1Confident75.3Confident115 Ų11597.9 Ų97.954%0.53747%0.474SS..Hα-helixtrans-69-34.5-179.9-72.1164.8-163.700111.8K336 Q337 I343 S344K336-E340 WeakPolarHBondContact O-CG 3.36Å; K336-E340 PolarHBondContact O-N 3.29Å; Q337-E340 PolarHBondContact O-N 3.31Å; E340-I343 PolarHBondContact O-N 3.36Å; E340-S344 WeakPolarHBondContact O-CB 3.42Å; E340-S344 PolarHBondContact O-N 3.16Å; E340-S344 PolarHBondContact O-OG 3.19Å
341S76.4Confident73.9Confident50 Ų50103.2 Ų103.235%0.3550%0.501SS..Hα-helixtrans-64.7-46.1171.175.60000111.6Q337 Y338 I343 S344 D345Q337-S341 PolarHBondContact O-N 2.81Å; Y338-S341 PolarHBondContact O-OG 3.28Å; Y338-S341 VanDerWaalsContact O-OG 3.06Å; S341-I343 VanDerWaalsContact C-N 3.3Å; S341-I343 PolarHBondContact O-N 2.95Å; S341-S344 WeakPolarHBondContact O-CB 3.17Å; S341-S344 PolarHBondContact O-N 3.19Å; S341-D345 VanDerWaalsContact O-CG 3.24Å; S341-D345 PolarHBondContact O-N 3.35Å
342Y73.8Confident72.5Confident138 Ų138103 Ų10354%0.54150%0.5SS..Hα-helixtrans-61.1-34.8176.9-92.4-103.5000113.7Y338 R339 A346Y338-Y342 HydrophobicContact CD1-CD2 4.42Å; Y338-Y342 HydrophobicContact CD1-CE2 4.48Å; Y338-Y342 HydrophobicContact CD2-CE2 4.25Å; Y338-Y342 HydrophobicContact CE1-CD2 4.1Å; Y338-Y342 AromaticContact CE1-CE2 3.81Å; Y338-Y342 HydrophobicContact CE1-CE2 3.81Å; Y338-Y342 HydrophobicContact CE2-CD2 4.24Å; Y338-Y342 AromaticContact CE2-CE2 3.54Å; Y338-Y342 HydrophobicContact CE2-CE2 3.54Å; Y338-Y342 AromaticContact CZ-CE2 3.28Å; Y338-Y342 AromaticContact CZ-CZ 3.91Å; Y338-Y342 VanDerWaalsContact O-CD2 3.3Å; Y338-Y342 WeakPolarHBondContact O-CD2 3.39Å; Y338-Y342 PolarHBondContact O-N 2.88Å; Y338-Y342 VanDerWaalsContact OH-CE2 3.32Å; Y338-Y342 WeakPolarHBondContact OH-CE2 3.45Å; Y338-Y342 PolarHBondContact OH-OH 3.1Å; Y338-Y342 VanDerWaalsContact OH-OH 3.12Å; R339-Y342 PolarHBondContact O-N 3Å; Y342-A346 VanDerWaalsContact O-CB 3.32Å; Y342-A346 WeakPolarHBondContact O-CB 3.44Å; Y342-A346 PolarHBondContact O-N 3.38Å; Y342-A346 VanDerWaalsContact O-N 3.15Å
343I73.2Confident71.2Confident102 Ų102105 Ų10552%0.52351%0.507SS..Hα-helixtrans-70.4-40.4174.4-67164.5000110.2R339 E340 S341 A346 L347R339-I343 WeakPolarHBondContact O-CG1 3.4Å; R339-I343 PolarHBondContact O-N 2.97Å; R339-I343 VanDerWaalsContact O-N 3.09Å; E340-I343 PolarHBondContact O-N 3.36Å; S341-I343 VanDerWaalsContact C-N 3.3Å; S341-I343 PolarHBondContact O-N 2.95Å; I343-A346 PolarHBondContact O-N 3.14Å; I343-L347 HydrophobicContact CG2-CD1 3.92Å; I343-L347 HydrophobicContact CG2-CG 4.48Å; I343-L347 WeakPolarHBondContact O-CB 3.49Å; I343-L347 VanDerWaalsContact O-CG 3.27Å; I343-L347 WeakPolarHBondContact O-CG 3.45Å; I343-L347 PolarHBondContact O-N 3.19Å
344S64.7Low69.8Low69 Ų69107.4 Ų107.448%0.48352%0.521SS..Hα-helixtrans-63.4-49.4177.5-56.30000111.3E340 S341 A346 L347 E348E340-S344 WeakPolarHBondContact O-CB 3.42Å; E340-S344 PolarHBondContact O-N 3.16Å; E340-S344 PolarHBondContact O-OG 3.19Å; S341-S344 WeakPolarHBondContact O-CB 3.17Å; S341-S344 PolarHBondContact O-N 3.19Å; S344-A346 VanDerWaalsContact C-N 3.33Å; S344-A346 PolarHBondContact O-N 3.29Å; S344-L347 PolarHBondContact O-N 3.17Å; S344-E348 WeakPolarHBondContact O-CB 3.09Å; S344-E348 PolarHBondContact O-N 3.36Å
345D60.8Low68.5Low84 Ų84106 Ų10645%0.44952%0.517SS..Hα-helixtrans-60.1-41.1178.1-63.1-11.8000111.6S341 E348 L349S341-D345 VanDerWaalsContact O-CG 3.24Å; S341-D345 PolarHBondContact O-N 3.35Å; D345-E348 PolarHBondContact O-N 3.18Å; D345-L349 WeakPolarHBondContact O-CB 3.34Å; D345-L349 VanDerWaalsContact O-CG 3.22Å; D345-L349 WeakPolarHBondContact O-CG 3.42Å; D345-L349 PolarHBondContact O-N 3.3Å
346A61.1Low67.1Low53 Ų53106.9 Ų106.944%0.43852%0.521SS..Hα-helixtrans-66.3-41.2177.800000112.5Y342 I343 S344 D350Y342-A346 VanDerWaalsContact O-CB 3.32Å; Y342-A346 WeakPolarHBondContact O-CB 3.44Å; Y342-A346 PolarHBondContact O-N 3.38Å; Y342-A346 VanDerWaalsContact O-N 3.15Å; I343-A346 PolarHBondContact O-N 3.14Å; S344-A346 VanDerWaalsContact C-N 3.33Å; S344-A346 PolarHBondContact O-N 3.29Å; A346-D350 PolarHBondContact O-N 3.38Å; A346-D350 VanDerWaalsContact O-N 3.07Å
347L59.2Low65.7Low106 Ų106109.3 Ų109.356%0.55553%0.527SS*.Hα-helixtrans-71-34.9176.5-69.4173000112.1I343 S344 D350 M351I343-L347 HydrophobicContact CG2-CD1 3.92Å; I343-L347 HydrophobicContact CG2-CG 4.48Å; I343-L347 WeakPolarHBondContact O-CB 3.49Å; I343-L347 VanDerWaalsContact O-CG 3.27Å; I343-L347 WeakPolarHBondContact O-CG 3.45Å; I343-L347 PolarHBondContact O-N 3.19Å; S344-L347 PolarHBondContact O-N 3.17Å; L347-D350 PolarHBondContact O-N 3.08Å; L347-M351 VanDerWaalsContact O-CB 3.27Å; L347-M351 WeakPolarHBondContact O-CB 3.3Å; L347-M351 PolarHBondContact O-N 3.25Å
348E59.2Low64.5Low124 Ų124107.6 Ų107.658%0.57953%0.526SS*.Hα-helixtrans-67.4-40.5174.4-171.8165.8-154.800111.2S344 D345 M351 E352S344-E348 WeakPolarHBondContact O-CB 3.09Å; S344-E348 PolarHBondContact O-N 3.36Å; D345-E348 PolarHBondContact O-N 3.18Å; E348-M351 PolarHBondContact O-N 3.06Å; E348-E352 WeakPolarHBondContact O-CB 3.36Å; E348-E352 PolarHBondContact O-N 3.27Å
349L59.3Low63.1Low102 Ų102109.4 Ų109.453%0.53453%0.532SS..Hα-helixtrans-63.9-40.8173.4-74.6168.9000113.2D345 Q353D345-L349 WeakPolarHBondContact O-CB 3.34Å; D345-L349 VanDerWaalsContact O-CG 3.22Å; D345-L349 WeakPolarHBondContact O-CG 3.42Å; D345-L349 PolarHBondContact O-N 3.3Å; L349-Q353 WeakPolarHBondContact O-CB 3.44Å; L349-Q353 WeakPolarHBondContact O-CG 3.38Å; L349-Q353 PolarHBondContact O-N 3.34Å
350D60.2Low61.6Low95 Ų95104.9 Ų104.951%0.50853%0.533SS..Hα-helixtrans-69.2-37.9174.7-94.61.2000111.7A346 L347 Q353 L354A346-D350 PolarHBondContact O-N 3.38Å; A346-D350 VanDerWaalsContact O-N 3.07Å; L347-D350 PolarHBondContact O-N 3.08Å; D350-Q353 PolarHBondContact O-N 3.35Å; D350-L354 WeakPolarHBondContact O-CG 3.48Å; D350-L354 PolarHBondContact O-N 3.31Å
351M58.7Low60.1Low132 Ų132104 Ų10465%0.6554%0.539SS*.Hα-helixtrans-65.3-45174.6-161.5-179.3-49.400111.1L347 E348 Q353 L354 D355L347-M351 VanDerWaalsContact O-CB 3.27Å; L347-M351 WeakPolarHBondContact O-CB 3.3Å; L347-M351 PolarHBondContact O-N 3.25Å; E348-M351 PolarHBondContact O-N 3.06Å; M351-Q353 VanDerWaalsContact C-N 3.32Å; M351-Q353 PolarHBondContact O-N 2.76Å; M351-L354 PolarHBondContact O-N 3.16Å; M351-D355 WeakPolarHBondContact O-CB 3.29Å; M351-D355 PolarHBondContact O-N 2.75Å
352E58.9Low58.6Low91 Ų91105.3 Ų105.343%0.42556%0.561SS.*Hα-helixtrans-61.2-36.9172.3-81.4-152.7152.400112.6E348 D355 K356E348-E352 WeakPolarHBondContact O-CB 3.36Å; E348-E352 PolarHBondContact O-N 3.27Å; E352-D355 PolarHBondContact O-N 2.69Å; E352-K356 VanDerWaalsContact O-CB 3.3Å; E352-K356 WeakPolarHBondContact O-CB 3.2Å; E352-K356 VanDerWaalsContact O-CD 3.32Å; E352-K356 WeakPolarHBondContact O-CD 3.47Å; E352-K356 WeakPolarHBondContact O-CG 3.45Å; E352-K356 PolarHBondContact O-N 3.12Å; E352-K356 IonicContact OE2-NZ 2.65Å; E352-K356 PolarHBondContact OE2-NZ 3.34Å
353Q58.8Low56.9Low111 Ų111104.3 Ų104.352%0.51957%0.574SS.*Hα-helixtrans-68.2-37.4176.1-80.7-177.164.300112.2L349 D350 M351 K356 R357L349-Q353 WeakPolarHBondContact O-CB 3.44Å; L349-Q353 WeakPolarHBondContact O-CG 3.38Å; L349-Q353 PolarHBondContact O-N 3.34Å; D350-Q353 PolarHBondContact O-N 3.35Å; M351-Q353 VanDerWaalsContact C-N 3.32Å; M351-Q353 PolarHBondContact O-N 2.76Å; Q353-K356 PolarHBondContact O-N 3.22Å; Q353-R357 WeakPolarHBondContact O-CB 3.34Å; Q353-R357 PolarHBondContact O-N 2.92Å
354L58.3Low55.5Low117 Ų117105.4 Ų105.461%0.61359%0.591SS**Hα-helixtrans-65.4-41171.2-74.2164000111.3D350 M351 K356 R357 S358D350-L354 WeakPolarHBondContact O-CG 3.48Å; D350-L354 PolarHBondContact O-N 3.31Å; M351-L354 PolarHBondContact O-N 3.16Å; L354-K356 VanDerWaalsContact C-N 3.33Å; L354-K356 PolarHBondContact O-N 2.89Å; L354-R357 PolarHBondContact O-N 3.35Å; L354-S358 PolarHBondContact O-N 2.74Å; L354-S358 PolarHBondContact O-OG 3.08Å
355D57.8Low54.2Low80 Ų80106.6 Ų106.643%0.42861%0.605SS.*Hα-helixtrans-74.1-21.7178.9-129.337.9000113.7M351 E352 S358 R359M351-D355 WeakPolarHBondContact O-CB 3.29Å; M351-D355 PolarHBondContact O-N 2.75Å; E352-D355 PolarHBondContact O-N 2.69Å; D355-S358 WeakPolarHBondContact CA-OG 3.38Å; D355-S358 PolarHBondContact O-OG 2.79Å; D355-R359 VanDerWaalsContact O-CG 3.3Å; D355-R359 WeakPolarHBondContact O-CG 3.27Å; D355-R359 PolarHBondContact O-N 3.49Å; D355-R359 PolarHBondContact O-NH1 2.94Å; D355-R359 IonicContact OD2-CZ 3.88Å; D355-R359 IonicContact OD2-NH1 3.72Å; D355-R359 PolarHBondContact OD2-NH1 3.1Å; D355-R359 IonicContact OD2-NH2 2.58Å
356K57.5Low53.4Low118 Ų118106.4 Ų106.451%0.51362%0.623SS.*Hα-helixtrans-82.4-34.2168.9-72.2161-166.7165.80111.2E352 Q353 L354 A360E352-K356 VanDerWaalsContact O-CB 3.3Å; E352-K356 WeakPolarHBondContact O-CB 3.2Å; E352-K356 VanDerWaalsContact O-CD 3.32Å; E352-K356 WeakPolarHBondContact O-CD 3.47Å; E352-K356 WeakPolarHBondContact O-CG 3.45Å; E352-K356 PolarHBondContact O-N 3.12Å; E352-K356 IonicContact OE2-NZ 2.65Å; E352-K356 PolarHBondContact OE2-NZ 3.34Å; Q353-K356 PolarHBondContact O-N 3.22Å; L354-K356 VanDerWaalsContact C-N 3.33Å; L354-K356 PolarHBondContact O-N 2.89Å; K356-A360 VanDerWaalsContact O-CB 3.31Å; K356-A360 WeakPolarHBondContact O-CB 3.47Å; K356-A360 PolarHBondContact O-N 3.21Å
357R55.7Low52Low185 Ų185109.8 Ų109.870%0.69864%0.643SS**Hα-helixtrans-66.6-41.5170.7-90.2179.5165.4159.5-2.7112.3Q353 L354 R359 A360 S361Q353-R357 WeakPolarHBondContact O-CB 3.34Å; Q353-R357 PolarHBondContact O-N 2.92Å; L354-R357 PolarHBondContact O-N 3.35Å; R357-R359 VanDerWaalsContact C-N 3.34Å; R357-R359 PolarHBondContact O-N 2.96Å; R357-A360 PolarHBondContact O-N 3.25Å; R357-S361 PolarHBondContact O-N 3.08Å; R357-S361 VanDerWaalsContact O-N 3.13Å; R357-S361 PolarHBondContact O-OG 3.33Å
358S55Low51Low67 Ų67111.7 Ų111.747%0.46966%0.659SS.*Hα-helixtrans-63.8-39175.767.60000111.8L354 D355 S361L354-S358 PolarHBondContact O-N 2.74Å; L354-S358 PolarHBondContact O-OG 3.08Å; D355-S358 WeakPolarHBondContact CA-OG 3.38Å; D355-S358 PolarHBondContact O-OG 2.79Å; S358-S361 PolarHBondContact O-N 3.21Å
359R54.5Low49.8Very low178 Ų178109.7 Ų109.767%0.67266%0.659SS**Hα-helixtrans-73.5-29.2174.5-73.8-179.4175.398.4-2.9114.6D355 R357 S361D355-R359 VanDerWaalsContact O-CG 3.3Å; D355-R359 WeakPolarHBondContact O-CG 3.27Å; D355-R359 PolarHBondContact O-N 3.49Å; D355-R359 PolarHBondContact O-NH1 2.94Å; D355-R359 IonicContact OD2-CZ 3.88Å; D355-R359 IonicContact OD2-NH1 3.72Å; D355-R359 PolarHBondContact OD2-NH1 3.1Å; D355-R359 IonicContact OD2-NH2 2.58Å; R357-R359 VanDerWaalsContact C-N 3.34Å; R357-R359 PolarHBondContact O-N 2.96Å; R359-S361 VanDerWaalsContact C-N 3.32Å
360A49.6Very low48.4Very low86 Ų86112.8 Ų112.871%0.71167%0.67SS**Hα-helixtrans-75.2-21.9174.600000112.8K356 R357 G362K356-A360 VanDerWaalsContact O-CB 3.31Å; K356-A360 WeakPolarHBondContact O-CB 3.47Å; K356-A360 PolarHBondContact O-N 3.21Å; R357-A360 PolarHBondContact O-N 3.25Å; A360-G362 VanDerWaalsContact C-N 3.29Å; A360-G362 PolarHBondContact O-N 3.22Å
361S49.3Very low47.5Very low95 Ų95117.8 Ų117.866%0.66469%0.69SS**SBendtrans-79.174.9168.3-66.10000111.1R357 S358 R359 S363R357-S361 PolarHBondContact O-N 3.08Å; R357-S361 VanDerWaalsContact O-N 3.13Å; R357-S361 PolarHBondContact O-OG 3.33Å; S358-S361 PolarHBondContact O-N 3.21Å; R359-S361 VanDerWaalsContact C-N 3.32Å; S361-S363 PolarHBondContact O-N 3.35Å
362G45.3Very low46.3Very low79 Ų79120.5 Ų120.581%0.81470%0.698SS**  trans-64.198176.600000113.2A360A360-G362 VanDerWaalsContact C-N 3.29Å; A360-G362 PolarHBondContact O-N 3.22Å
363S37.9Very low45.5Very low117 Ų117128.1 Ų128.182%0.81872%0.723SS**  trans-128.7115.9153-173.60000109S361S361-S363 PolarHBondContact O-N 3.35Å
364S44.5Very low44.3Very low125 Ų125130.2 Ų130.287%0.87474%0.737SS**  trans-88.4108.5-17852.70000111.2
365A37Very low43Very low94 Ų94128.4 Ų128.478%0.77773%0.734SS**  trans-143.6112.8154.800000108.4
366G43.2Very low41.9Very low79 Ų79136 Ų13681%0.81476%0.757SS**  trans-73.6140.4178.200000111.2
367S33Very low40.5Very low125 Ų125137.9 Ų137.987%0.87477%0.767SS**  trans-151.1139.4158.9-81.30000109.8
368V37.7Very low39.4Very low145 Ų145134.6 Ų134.688%0.87977%0.772SS**  trans-96.8145.4-174.7176.80000109.3
369S32.8Very low38.4Very low83 Ų83137.7 Ų137.758%0.5879%0.789SS**  trans67.7114.6166-159.70000118.4
370H30.7Very low37.5Very low167 Ų167134.9 Ų134.977%0.77379%0.792SS**  -177.8131.491.3-101.3-73.6000111.2K372H370-K372 PolarHBondContact O-N 3.14Å; H370-K372 VanDerWaalsContact O-N 3.14Å
371H41.7Very low36.7Very low199 Ų199136.5 Ų136.592%0.92180%0.798SS**  trans-68.1108.1164.1-76.3-76.1000109.7
372K32.8Very low36Very low190 Ų190140.3 Ų140.383%0.82680%0.804SS**  trans-106107.8159.4-87.4-170.7174.9-179.20110.2H370 L374H370-K372 PolarHBondContact O-N 3.14Å; H370-K372 VanDerWaalsContact O-N 3.14Å; K372-L374 PolarHBondContact O-N 2.89Å
373R43.1Very low35.5Very low250 Ų250140.4 Ų140.494%0.94381%0.805SS**  trans-67.3113.8172.9-158.9-176.1-154.6-147.98.4108.1
374L33.4Very low35.5Very low156 Ų156139.9 Ų139.982%0.81780%0.802SS**  trans-113.1104171.4-72.6177.8000110.7K372K372-L374 PolarHBondContact O-N 2.89Å
375S31.5Very low35.2Very low79 Ų79139.2 Ų139.255%0.55280%0.797SS**  trans18.9113139.3-159.70000118H377S375-H377 PolarHBondContact O-N 3.28Å; S375-H377 PolarHBondContact OG-CD2 2.93Å; S375-H377 PolarHBondContact OG-NE2 3.26Å
376R34.1Very low35.2Very low238 Ų238142.8 Ų142.890%0.89880%0.797SS**  trans-77.496.6163.1-62.5174.585.5-1758.9108.7
377H28.6Very low34.8Very low158 Ų158144.8 Ų144.873%0.73179%0.794SS**  trans-88105.7162.4-74.3-70.6000109.5S375 T379S375-H377 PolarHBondContact O-N 3.28Å; S375-H377 PolarHBondContact OG-CD2 2.93Å; S375-H377 PolarHBondContact OG-NE2 3.26Å; H377-T379 PolarHBondContact O-N 3.39Å
378S32.1Very low35.1Very low116 Ų116144.6 Ų144.681%0.81179%0.793SS**  trans-70.8108.1174.5-54.40000110.3
379T33.6Very low34.8Very low132 Ų132141.4 Ų141.481%0.8179%0.789SS**  trans-92.3112.2165.452.30000109.7H377 S381H377-T379 PolarHBondContact O-N 3.39Å; T379-S381 PolarHBondContact O-N 2.98Å
380T35.2Very low35.2Very low120 Ų120145.8 Ų145.874%0.73680%0.804SS**  trans-60.8118170.246.80000110.8
381S32.4Very low35.3Very low119 Ų119146 Ų14683%0.83281%0.805SS**  trans-92.5114.6165.644.70000109.9T379T379-S381 PolarHBondContact O-N 2.98Å
382H35Very low35Very low175 Ų175142.2 Ų142.281%0.8180%0.797SS**  trans-69139.2171.5-73.4-72.8000110.5
383G34.8Very low34.9Very low81 Ų81140.3 Ų140.384%0.83580%0.795SS**  trans-74.1146169.100000111.6
384S38.3Very low34.5Very low107 Ų107132.5 Ų132.575%0.74878%0.779SS**  trans-138.2116.416859.70000109.9
385S38.2Very low34.4Very low110 Ų110134.1 Ų134.177%0.76978%0.78SS**  trans-93.3118.2179-56.60000111.1
386H36.4Very low34.4Very low169 Ų169142 Ų14278%0.78280%0.797SS**  trans-146.9113.5159.2-71.5-64000107
387T35.1Very low34.3Very low122 Ų122134.6 Ų134.675%0.74879%0.787SS**  61.686.963.175.50000114.5
388S38.8Very low34.9Very low121 Ų121133.2 Ų133.285%0.84679%0.792SS**  trans-159.4110.8150.454.90000109.1
389G33.3Very low34.7Very low77 Ų77130.8 Ų130.879%0.79479%0.786SS**  trans-90.9163.6170.700000111.6
390I40.3Very low34.6Very low175 Ų175134 Ų13490%0.89779%0.792SS**  trans-148.2142.6159.6-98.5154.8000106.3
391E33.3Very low34.3Very low172 Ų172132.6 Ų132.680%0.80479%0.792SS**  trans-105.5160.1-166.3-65-175.7131.200114.2
392T35.8Very low34.8Very low120 Ų120131.6 Ų131.674%0.73678%0.783SS**  trans49.6116.5147.752.10000121.6
393D29.8Very low34.7Very low150 Ų150131.5 Ų131.580%0.80278%0.782SS**  174156.5101.1-108.3-31.9000110
394S33.8Very low34.4Very low86 Ų86138.9 Ų138.960%0.60179%0.785SS**  cis-157170.1-13.5-137.20000110.5
395F32Very low34.7Very low190 Ų190138.1 Ų138.183%0.83378%0.777SS**  trans-39.2137.1-177-56.5-99.7000119.7
396R32.8Very low34.1Very low243 Ų243139.9 Ų139.992%0.91778%0.777SS**  172.4133.597.1-111.3179.4177.2160.1-0.6114.7
397A30.9Very low33.9Very low83 Ų83141.5 Ų141.569%0.68678%0.777SS**  trans-84.4173.6150.900000109
398P41.6Very low33.3Very low129 Ų129141 Ų14184%0.83877%0.773SS**  cis-144.2-179.821.143.6-24.5000117.4
399G28.2Very low32.7Very low66 Ų66140.6 Ų140.668%0.6877%0.769SS**  trans119.7108.2136.400000118.9
400Q30.8Very low32.4Very low200 Ų200141.9 Ų141.994%0.93577%0.767SS**  trans65.6131.8144.1-57.8-176.35.700120.8
401A29Very low31.9Very low89 Ų89139.1 Ų139.174%0.73676%0.762SS**  trans-76.4-174.1158.300000109.7
402P43.5Very low31.8Very low98 Ų98135.7 Ų135.764%0.63676%0.758SS**  cis-139.6-167.26.623.44.8000115.7
403H31.5Very low31.5Very low173 Ų173135.9 Ų135.980%0.80176%0.759SS**  trans106101.5158.3-55.3-66.9000119.8
404R29.1Very low31.4Very low236 Ų236134.4 Ų134.489%0.89176%0.756SS**  trans-27.6171.7133.1-98.1-169.8172.2176.8-1.1115.7
405P43.6Very low31.2Very low91 Ų91136.2 Ų136.259%0.59177%0.768SS**  cis-145.4-168.7-18.535.8-13.6000115.2
406L27.3Very low31.1Very low147 Ų147136.1 Ų136.177%0.7777%0.77SS**  trans73.1150.6159.4-56.2168.8000115.5
407R30.4Very low30.9Very low203 Ų203128.5 Ų128.577%0.76677%0.767SS**  cis-160.4144.92.8-133.4-179.9-164.2-159.16.1112.6
408T24.3Very low31Very low111 Ų111129.4 Ų129.468%0.68177%0.768SS**  trans45.8155.2138.251.20000124.4
409C25Very low30.4Very low113 Ų113129.1 Ų129.176%0.76477%0.769SS**  trans86.1105.2163.7-56.10000114.4
410S26.6Very low30.4Very low105 Ų105134.5 Ų134.573%0.73478%0.776SS**  cis98.1126.840.6-70.80000112.3
411S30.2Very low30.3Very low116 Ų116131.3 Ų131.381%0.81177%0.771SS**  trans62.3151.3159.435.90000117.2
412S30.8Very low30.5Very low101 Ų101132.7 Ų132.771%0.70678%0.775SS**  cis-173172.1-10.646.30000108.1
413T29.9Very low29.8Very low123 Ų123131.7 Ų131.776%0.75578%0.782SS**  trans139.899.4153.448.40000110.4
414T28.4Very low29.8Very low120 Ų120131.2 Ų131.274%0.73678%0.784SS**  63.1115.887.361.90000115.7
415S29.6Very low29.7Very low123 Ų123128.7 Ų128.786%0.8678%0.782SS**  -159.1146.2128.637.10000110.6
416H29.8Very low29.1Very low189 Ų189129.6 Ų129.688%0.87579%0.791SS**  trans-95.9159.2-178.6-66.2-95000111.1
417G27.6Very low29.1Very low83 Ų83128.4 Ų128.486%0.85680%0.795SS**  trans-163.682171.400000111.6
418S32.7Very low29.1Very low102 Ų102122 Ų12271%0.71379%0.793SS**  trans-91.3150.9175.550.80000111.9
419S29.8Very low29.4Very low123 Ų123125.7 Ų125.786%0.8680%0.799SS**  trans-172.6147.1135.1-83.10000111.6
420H28.6Very low29.5Very low178 Ų178126.9 Ų126.982%0.82479%0.793SS**  trans-118.6146.2-177.8-48.5-102.8000110.7
421T29.4Very low29.7Very low133 Ų133131 Ų13182%0.81679%0.793SS**  trans-154.6106.3150.247.90000107.3
422S31.8Very low29.7Very low118 Ų118132.8 Ų132.883%0.82579%0.792SS**  67.9120.59572.60000116.2
423G28.5Very low29.8Very low77 Ų77135.4 Ų135.479%0.79480%0.797SS**  trans-179.4122.416800000110.4
424I31.7Very low29.9Very low163 Ų163137.5 Ų137.584%0.83680%0.804SS**  trans-123173.9-170.6-59165.2000108.6
425E26.8Very low30.1Very low183 Ų183139.3 Ų139.386%0.85581%0.809SS**  trans95119.3165.6-52.6-175.2167.900114.7
426S31.9Very low30.4Very low110 Ų110141.1 Ų141.177%0.76981%0.809SS**  cis110.714516.3-172.30000112.9
427S27.3Very low30.7Very low122 Ų122141 Ų14185%0.85381%0.809SS**  trans75.7140177.7-49.20000116.7
428G29.8Very low30.9Very low70 Ų70144 Ų14472%0.72280%0.804SS**  cis162.2177.9-7.300000113.4
429K32Very low30.9Very low188 Ų188148.1 Ų148.182%0.81781%0.812SS**  trans74.1121.3173.9-70.8174.3178173.60115.5
430E26.6Very low30.8Very low138 Ų138150.2 Ų150.265%0.64581%0.81SS**  62.6136.674.5-67.1-172.6167.800111.2
431R30.6Very low31Very low191 Ų191149.9 Ų149.972%0.72181%0.813SS**  cis-170.9177.529.4-144.6179.3-89.2-164.8-12.2111.2
432I30.3Very low31.1Very low153 Ų153150.1 Ų150.179%0.78581%0.814SS**  trans89.1134.1154.7-65.7152.4000117.2
433L31.7Very low31.1Very low156 Ų156151.9 Ų151.982%0.81781%0.814SS**  trans-89.7162.7179.1-59150.4000109.2
434D32.2Very low31.4Very low168 Ų168155 Ų15590%0.89881%0.813SS**  -148.5141.1128.3-91.3-38.2000108.7
435D34Very low31.6Very low157 Ų157153.3 Ų153.384%0.8481%0.813SS**  trans-86.3142.1177.1-111-27.7000109.1
436D36.1Very low31.9Very low162 Ų162153.1 Ų153.187%0.86681%0.809SS**  trans-145.9114.2156-104.6-35.4000109.2
437E34.4Very low31.9Very low186 Ų186155.7 Ų155.787%0.86981%0.814SS**  trans-86.1122-172.2-172.5173.1-148.400110.1
438I33.6Very low32.1Very low147 Ų147159.7 Ų159.775%0.75481%0.812SS**  trans-125.1110.8173.6-62.6-180000109.2M440I438-M440 PolarHBondContact O-N 2.92Å
439E32.8Very low32.2Very low188 Ų188165 Ų16588%0.87982%0.818SS**  trans-60.5120.9172.7-63.1-177.2134.200110.7
440M26.1Very low32.2Very low167 Ų167164.3 Ų164.382%0.82382%0.818SS**  trans-99.3114.1165-63.9-160.2-45.700109.5I438 V442I438-M440 PolarHBondContact O-N 2.92Å; M440-V442 PolarHBondContact O-N 2.92Å
441L32.8Very low32.3Very low170 Ų170164.1 Ų164.189%0.8982%0.82SS**  trans-61.1132.7167-71.4167.7000109.7
442V32.3Very low32.3Very low139 Ų139162.9 Ų162.984%0.84282%0.822SS**  trans-95.1102.7-177.9-158.40000108.5M440M440-V442 PolarHBondContact O-N 2.92Å
443D31.3Very low32.4Very low154 Ų154162 Ų16282%0.82482%0.815SS**  trans-88.3129.6168.7-94.1-39.5000110.3
444D36Very low32.3Very low144 Ų144163 Ų16377%0.7782%0.817SS**  trans-61.9137.9176.1-81-51.2000111.6K446D444-K446 PolarHBondContact O-N 3.48Å
445P35.4Very low32.2Very low127 Ų127158.6 Ų158.683%0.82581%0.805SS**  trans-73.194.2175.830.1-33.2000110.7
446K31.8Very low32.1Very low178 Ų178158.2 Ų158.277%0.77480%0.802SS**  trans-72.2150.3164.7-74.9177.9179.8167.60111.2D444 Y448D444-K446 PolarHBondContact O-N 3.48Å; K446-Y448 PolarHBondContact O-N 3.43Å
447D32.6Very low31.9Very low164 Ų164157 Ų15788%0.87780%0.795SS**  trans-47.5118-169.8-54.4-77000114.6
448Y32.2Very low32.1Very low206 Ų206157.5 Ų157.581%0.80880%0.798SS**  trans-114.971.8172.2-104.4-88.8000109.7K446 L451K446-Y448 PolarHBondContact O-N 3.43Å; Y448-L451 HydrophobicContact CE1-CD1 4.11Å
449E31.1Very low32.5Very low182 Ų182155.8 Ų155.885%0.8579%0.786SS**  trans-109.6-14.5169.6-72.7-156.8158.200113.9L451E449-L451 PolarHBondContact O-N 3.39Å
450E31.8Very low33.2Very low174 Ų174150.7 Ų150.781%0.81377%0.765SS**THydrogen-bonded Turntrans-85.62.3-165.6-144.1169.5-159.900115.9
451L30.1Very low34.3Very low133 Ų133146 Ų14670%0.69675%0.747SS**THydrogen-bonded Turntrans-110.615.6-176.8-70.6176.9000115.2Y448 E449Y448-L451 HydrophobicContact CE1-CD1 4.11Å; E449-L451 PolarHBondContact O-N 3.39Å
452H28.8Very low35.9Very low166 Ų166138.5 Ų138.577%0.76971%0.708SS**SBendtrans-115.9-4.2172.1-123.947.5000115.2
453E33.5Very low38.1Very low134 Ų134134.1 Ų134.163%0.62668%0.679SS**G310 helixtrans-78.4-15.9178.1-74.4-152120.700114.7A455E453-A455 PolarHBondContact O-N 3.48Å
454M28.8Very low40.5Very low176 Ų176126.9 Ų126.987%0.86764%0.64SS**G310 helixtrans-86.26.4-170.9-64.7-1697300115.7
455A31Very low42.6Very low77 Ų77121.2 Ų121.264%0.63661%0.61SS**G310 helixtrans-118.52.7-167.900000116.2E453E453-A455 PolarHBondContact O-N 3.48Å
456L32.3Very low44.7Very low148 Ų148120.9 Ų120.978%0.77560%0.598SS**  trans-115-0.2-178-66179.3000115.4Q458L456-Q458 PolarHBondContact O-N 3.38Å
457D32.1Very low46.9Very low138 Ų138117.2 Ų117.274%0.73859%0.587SS**  trans-74.928.7177.3-89.57.5000113.4R118 E459R118-D457 IonicContact NH2-OD1 2.68Å; D457-E459 VanDerWaalsContact C-N 3.33Å; D457-E459 PolarHBondContact O-N 3.04Å
458Q37.8Very low49.1Very low196 Ų196110.1 Ų110.192%0.91655%0.549SS*.  trans-96.940.1174.5-112.5175.512.500112.4L456L456-Q458 PolarHBondContact O-N 3.38Å
459E42.6Very low51Low111 Ų111100.8 Ų100.852%0.51951%0.512SS..SBendtrans-101.3134170.5-69-153.214600112.8R113 D457 C461R113-E459 IonicContact CZ-OE1 2.7Å; R113-E459 IonicContact CZ-OE2 3.06Å; R113-E459 IonicContact NH1-OE1 3.99Å; R113-E459 PolarHBondContact NH1-OE1 3.38Å; R113-E459 IonicContact NH1-OE2 3.38Å; R113-E459 PolarHBondContact NH1-OE2 2.84Å; D457-E459 VanDerWaalsContact C-N 3.33Å; D457-E459 PolarHBondContact O-N 3.04Å; E459-C461 PolarHBondContact O-N 3.09Å; E459-C461 PolarHBondContact O-SG 2.85Å
460L45.9Very low52.7Low81 Ų8195.2 Ų95.242%0.42449%0.491SS..  trans-59.6107.8177.5-153.481.4000109.7I462 V484L460-I462 VanDerWaalsContact C-N 3.32Å; L460-I462 HydrophobicContact CD2-CD1 4.42Å; L460-I462 PolarHBondContact O-N 2.75Å; L460-V484 HydrophobicContact CD1-CG1 3.55Å; L460-V484 HydrophobicContact CD1-CG2 4.3Å; L460-V484 HydrophobicContact CD2-CG2 4.32Å; L460-V484 HydrophobicContact CG-CG1 4.2Å; L460-V484 HydrophobicContact CG-CG2 4.17Å
461C50.6Low54Low67 Ų6790.8 Ų90.845%0.45347%0.471SS..  trans-71.772.2-166.7-72.10000114.6E459 H463E459-C461 PolarHBondContact O-N 3.09Å; E459-C461 PolarHBondContact O-SG 2.85Å; C461-H463 PolarHBondContact O-N 3.07Å; C461-H463 PolarHBondContact O-ND1 2.99Å
462I66.1Low55Low14 Ų1486.9 Ų86.97%0.07246%0.455CS..  trans-87.995.4174.2-51.1-179.4000109.7V322 Q325 V326 L329 L460 L482V322-I462 HydrophobicContact CB-CG2 3.95Å; V322-I462 HydrophobicContact CG1-CG2 3.49Å; V322-I462 VanDerWaalsContact CG1-CG2 3.49Å; V322-I462 HydrophobicContact CG2-CG2 3.7Å; Q325-I462 HydrophobicContact CB-CD1 3.85Å; Q325-I462 HydrophobicContact CG-CD1 3.28Å; V326-I462 HydrophobicContact CG2-CB 4.44Å; V326-I462 HydrophobicContact CG2-CG2 4.47Å; L329-I462 HydrophobicContact CD1-CD1 4.43Å; L460-I462 VanDerWaalsContact C-N 3.32Å; L460-I462 HydrophobicContact CD2-CD1 4.42Å; L460-I462 PolarHBondContact O-N 2.75Å; I462-L482 HydrophobicContact CB-CD2 4.47Å; I462-L482 HydrophobicContact CD1-CD2 4.27Å; I462-L482 HydrophobicContact CG1-CD2 4.15Å; I462-L482 HydrophobicContact CG2-CD2 3.64Å
463H78Confident55.9Low47 Ų4781.4 Ų81.422%0.21843%0.434CS..  trans-126.2162-175.959.5-70.3000111.4L114 C461L114-H463 CarbonylContact O-C 3.59Å; L114-H463 WeakPolarHBondContact O-CA 3.24Å; C461-H463 PolarHBondContact O-N 3.07Å; C461-H463 PolarHBondContact O-ND1 2.99Å
464I81.4Confident56.4Low1 Ų181.3 Ų81.31%0.00544%0.438CS..  trans-73.5134174.7-63.8163.3000108.9H55 L56 V109 L114 L315 L319 M468H55-I464 PolarHBondContact CE1-O 3.3Å; H55-I464 VanDerWaalsContact CE1-O 3.23Å; H55-I464 WeakPolarHBondContact NE2-CG2 3.34Å; H55-I464 PolarHBondContact NE2-O 2.99Å; L56-I464 HydrophobicContact CD2-CD1 3.83Å; L56-I464 HydrophobicContact CD2-CG2 4.25Å; V109-I464 HydrophobicContact CB-CD1 4.39Å; V109-I464 HydrophobicContact CG1-CD1 3.3Å; L114-I464 HydrophobicContact CB-CD1 3.97Å; L114-I464 HydrophobicContact CB-CG1 4.14Å; L114-I464 HydrophobicContact CD1-CD1 4.45Å; L114-I464 PolarHBondContact O-N 3.16Å; L315-I464 HydrophobicContact CD1-CD1 4.46Å; L315-I464 HydrophobicContact CD1-CG2 4.02Å; L319-I464 HydrophobicContact CD1-CD1 4.15Å; L319-I464 HydrophobicContact CD2-CD1 4.09Å; L319-I464 HydrophobicContact CD2-CG1 3.71Å; I464-M468 HydrophobicContact CG2-CB 4.45Å; I464-M468 HydrophobicContact CG2-SD 4.46Å
465T81.8Confident57.2Low26 Ų2679.6 Ų79.616%0.1643%0.428CS..  trans-107.7158.7170.669.80000110.2D467 M468T465-D467 PolarHBondContact O-N 3.3Å; T465-M468 WeakPolarHBondContact O-CB 3.4Å; T465-M468 PolarHBondContact O-N 3.46Å; T465-M468 VanDerWaalsContact O-N 3.09Å
466E78.5Confident57.7Low120 Ų12080.4 Ų80.456%0.56143%0.425SS*.THydrogen-bonded Turntrans-57.2-35.3175.3-172.8174.4178.800111.8H55 M468 L469 T470H55-E466 HydrophobicContact CB-CB 4.32Å; H55-E466 HydrophobicContact CB-CG 4.37Å; E466-M468 VanDerWaalsContact C-N 3.25Å; E466-M468 PolarHBondContact O-N 3.5Å; E466-L469 WeakPolarHBondContact O-CB 3.43Å; E466-L469 PolarHBondContact O-N 3.23Å; E466-T470 PolarHBondContact O-N 3.36Å; E466-T470 PolarHBondContact O-OG1 2.94Å
467D78.1Confident57.7Low101 Ų10180.5 Ų80.554%0.5443%0.426SS..Hα-helixtrans-60.6-31.8177.3-60.8-38000113T465 L469 T470 M471T465-D467 PolarHBondContact O-N 3.3Å; D467-L469 PolarHBondContact O-N 2.76Å; D467-T470 WeakPolarHBondContact CA-OG1 3.43Å; D467-T470 PolarHBondContact O-N 3.06Å; D467-T470 VanDerWaalsContact O-N 3.17Å; D467-M471 HydrophobicContact CB-CG 4.08Å; D467-M471 WeakPolarHBondContact O-CB 3.32Å; D467-M471 PolarHBondContact O-N 3.12Å
468M78.7Confident58Low15 Ų1577.8 Ų77.87%0.07443%0.431CS..Hα-helixtrans-65.4-20.6176.5-61.5-176.877.800112.8L315 N318 L319 V322 I464 T465 E466L315-M468 HydrophobicContact CD1-CB 4.44Å; N318-M468 HydrophobicContact CB-CB 4.21Å; N318-M468 HydrophobicContact CB-CE 3.81Å; N318-M468 PolarHBondContact ND2-O 2.9Å; N318-M468 WeakPolarHBondContact O-CE 3.3Å; L319-M468 HydrophobicContact CD2-CE 3.92Å; L319-M468 HydrophobicContact CG-CE 4.23Å; V322-M468 HydrophobicContact CG2-CE 4.14Å; I464-M468 HydrophobicContact CG2-CB 4.45Å; I464-M468 HydrophobicContact CG2-SD 4.46Å; T465-M468 WeakPolarHBondContact O-CB 3.4Å; T465-M468 PolarHBondContact O-N 3.46Å; T465-M468 VanDerWaalsContact O-N 3.09Å; E466-M468 VanDerWaalsContact C-N 3.25Å; E466-M468 PolarHBondContact O-N 3.5Å
469L72.4Confident57.8Low9 Ų978.6 Ų78.65%0.04743%0.427CS..Hα-helixtrans-93-20.6176.1-75.3158.1000113.2H55 Y107 R314 L315 E466 D467H55-L469 HydrophobicContact CB-CD1 3.75Å; H55-L469 VanDerWaalsContact O-CD1 3.26Å; H55-L469 WeakPolarHBondContact O-CD1 3.46Å; Y107-L469 HydrophobicContact CD1-CD2 3.88Å; Y107-L469 HydrophobicContact CD2-CD1 4.2Å; Y107-L469 HydrophobicContact CD2-CD2 3.69Å; Y107-L469 HydrophobicContact CE1-CD2 4.03Å; Y107-L469 HydrophobicContact CE2-CD2 3.83Å; Y107-L469 HydrophobicContact CG-CD2 3.72Å; R314-L469 VanDerWaalsContact CD-O 3.26Å; R314-L469 WeakPolarHBondContact CD-O 3.32Å; R314-L469 PolarHBondContact NH1-O 3.34Å; L315-L469 HydrophobicContact CB-CD2 4Å; L315-L469 HydrophobicContact CD1-CD2 4.14Å; L315-L469 HydrophobicContact CD1-CG 4.22Å; L315-L469 HydrophobicContact CD2-CD2 4.11Å; L315-L469 HydrophobicContact CG-CD2 4.3Å; E466-L469 WeakPolarHBondContact O-CB 3.43Å; E466-L469 PolarHBondContact O-N 3.23Å; D467-L469 PolarHBondContact O-N 2.76Å
470T67Low57.6Low65 Ų6576.9 Ų76.940%0.39943%0.427SS..Hα-helixtrans-110.9-33.2-171.862.40000113.7E466 D467E466-T470 PolarHBondContact O-N 3.36Å; E466-T470 PolarHBondContact O-OG1 2.94Å; D467-T470 WeakPolarHBondContact CA-OG1 3.43Å; D467-T470 PolarHBondContact O-N 3.06Å; D467-T470 VanDerWaalsContact O-N 3.17Å
471M59.1Low57.2Low82 Ų8275.3 Ų75.340%0.40443%0.431SS..SBendtrans-87.2139.4-173-65.6-63.910400114R314 D467R314-M471 WeakPolarHBondContact CD-O 3.32Å; R314-M471 WeakPolarHBondContact CG-O 3.27Å; R314-M471 PolarHBondContact NE-O 2.8Å; D467-M471 HydrophobicContact CB-CG 4.08Å; D467-M471 WeakPolarHBondContact O-CB 3.32Å; D467-M471 PolarHBondContact O-N 3.12Å
472S51.1Low56.5Low50 Ų5075.3 Ų75.335%0.3543%0.425SS..  trans-73.2142.9173.9-63.80000111.5D474 Q475S472-D474 VanDerWaalsContact C-N 3.25Å; S472-D474 PolarHBondContact O-N 3.46Å; S472-Q475 PolarHBondContact O-N 3.07Å
473P48Very low55.3Low52 Ų5279.8 Ų79.834%0.33845%0.448SS..G310 helixtrans-53-39.9-179.8-2835.6000113.8Q475 T476P473-Q475 PolarHBondContact O-N 3.15Å; P473-T476 PolarHBondContact O-N 2.94Å; P473-T476 VanDerWaalsContact O-N 3.12Å; P473-T476 PolarHBondContact O-OG1 3.03Å; P473-T476 VanDerWaalsContact O-OG1 3.06Å
474D43.6Very low53.2Low132 Ų13280.4 Ų80.471%0.70646%0.456SS*.G310 helixtrans-66.6-6.8-175-48.4-27.1000114.5S472S472-D474 VanDerWaalsContact C-N 3.25Å; S472-D474 PolarHBondContact O-N 3.46Å
475Q44.8Very low50.9Low140 Ų14087.8 Ų87.865%0.65449%0.487SS*.G310 helixtrans-94.2-3.7176.5-65.8-172.711.800113.7S472 P473 N477S472-Q475 PolarHBondContact O-N 3.07Å; P473-Q475 PolarHBondContact O-N 3.15Å; Q475-N477 PolarHBondContact O-N 3.48Å
476T41.8Very low48.3Very low94 Ų9492.8 Ų92.858%0.57751%0.513SS*.  trans-78.561.8175.665.30000112.2P473 G478P473-T476 PolarHBondContact O-N 2.94Å; P473-T476 VanDerWaalsContact O-N 3.12Å; P473-T476 PolarHBondContact O-OG1 3.03Å; P473-T476 VanDerWaalsContact O-OG1 3.06Å; T476-G478 PolarHBondContact O-N 3.29Å
477N32.9Very low46.1Very low150 Ų15094.4 Ų94.480%0.80252%0.524SS*.SBendtrans-69.291168.9-88.9-21.1000110.1Q475 Y479Q475-N477 PolarHBondContact O-N 3.48Å; N477-Y479 PolarHBondContact O-N 3.47Å
478G37.9Very low43.8Very low80 Ų8095 Ų9583%0.82554%0.536SS*.SBendtrans74-22.2163.500000117.3T476T476-G478 PolarHBondContact O-N 3.29Å
479Y33.7Very low41.4Very low214 Ų21499.4 Ų99.484%0.83957%0.568SS**  trans-93.3105.5170-93.1-93.5000110.6N477N477-Y479 PolarHBondContact O-N 3.47Å
480S37.9Very low39.5Very low75 Ų75103.7 Ų103.752%0.52460%0.599SS.*  trans-65.3138.2171.7-162.80000110.1L482S480-L482 PolarHBondContact O-N 3.5Å; S480-L482 WeakPolarHBondContact OG-CD1 3.22Å; S480-L482 WeakPolarHBondContact OG-CG 3.45Å
481G37.3Very low37.7Very low48 Ų48106.7 Ų106.750%0.49562%0.618SS.*SBendtrans-64.58169.700000114.5I483G481-I483 PolarHBondContact O-N 2.84Å; G481-I483 VanDerWaalsContact O-N 3.15Å
482L37.6Very low36.3Very low66 Ų66108.6 Ų108.635%0.34664%0.639SS.*  trans-76.583.6169.4-64.2174.5000110.2V322 I462 S480 V484V322-L482 HydrophobicContact CG2-CD2 3.77Å; I462-L482 HydrophobicContact CB-CD2 4.47Å; I462-L482 HydrophobicContact CD1-CD2 4.27Å; I462-L482 HydrophobicContact CG1-CD2 4.15Å; I462-L482 HydrophobicContact CG2-CD2 3.64Å; S480-L482 PolarHBondContact O-N 3.5Å; S480-L482 WeakPolarHBondContact OG-CD1 3.22Å; S480-L482 WeakPolarHBondContact OG-CG 3.45Å; L482-V484 PolarHBondContact O-N 3.39Å
483I39.3Very low35.3Very low108 Ų108110.8 Ų110.855%0.55466%0.655SS**  trans-72.985.1162.3-57.4-178.5000108.1G481 K485G481-I483 PolarHBondContact O-N 2.84Å; G481-I483 VanDerWaalsContact O-N 3.15Å; I483-K485 HydrophobicContact CG2-CB 4.43Å; I483-K485 PolarHBondContact O-N 3.39Å
484V35.5Very low34.3Very low61 Ų61113 Ų11337%0.3767%0.671SS.*  trans-64.4102.8159.8176.10000106.9L460 L482 D486L460-V484 HydrophobicContact CD1-CG1 3.55Å; L460-V484 HydrophobicContact CD1-CG2 4.3Å; L460-V484 HydrophobicContact CD2-CG2 4.32Å; L460-V484 HydrophobicContact CG-CG1 4.2Å; L460-V484 HydrophobicContact CG-CG2 4.17Å; L482-V484 PolarHBondContact O-N 3.39Å; V484-D486 VanDerWaalsContact C-N 3.34Å; V484-D486 PolarHBondContact O-N 3.37Å; V484-D486 VanDerWaalsContact O-N 3.13Å
485K32.2Very low33.6Very low155 Ų155112.2 Ų112.267%0.67468%0.676SS**  trans-87.676.7-177.9-158.1174.3-171.2176.30110.1I483 I487I483-K485 HydrophobicContact CG2-CB 4.43Å; I483-K485 PolarHBondContact O-N 3.39Å; K485-I487 PolarHBondContact O-N 2.87Å; K485-I487 VanDerWaalsContact O-N 3.14Å
486D27.3Very low32.8Very low132 Ų132114 Ų11471%0.70669%0.685SS**  trans-65.1110170.9-74.6-27.5000109.6V484 S488V484-D486 VanDerWaalsContact C-N 3.34Å; V484-D486 PolarHBondContact O-N 3.37Å; V484-D486 VanDerWaalsContact O-N 3.13Å; D486-S488 PolarHBondContact O-N 2.85Å
487I31.5Very low32Very low154 Ų154115 Ų11579%0.7969%0.69SS**  trans-87.489.1171.2-56.3177.3000107.5K485K485-I487 PolarHBondContact O-N 2.87Å; K485-I487 VanDerWaalsContact O-N 3.14Å
488S30Very low31.7Very low113 Ų113114 Ų11479%0.7969%0.69SS**  trans-69.7140.5163520000110D486D486-S488 PolarHBondContact O-N 2.85Å
489S29.4Very low31Very low107 Ų107116.4 Ų116.475%0.74869%0.688SS**  trans-84.4152.8-170.442.80000113.6
490S32.5Very low31.1Very low99 Ų99115.4 Ų115.469%0.69269%0.688SS**  trans94.6111.4152.2-54.80000120.6
491T29.4Very low30.5Very low129 Ų129119.8 Ų119.879%0.79170%0.702SS**  74.7123.1129.858.80000122.6
492S28.9Very low30Very low122 Ų122128.9 Ų128.985%0.85372%0.721SS**  trans66.1136.9135-177.80000119.3
493S29.7Very low29.4Very low96 Ų96128.9 Ų128.967%0.67174%0.737SS**  cis-170.4163.5-9.5-175.70000109.4
494S27.7Very low28.9Very low99 Ų99133 Ų13369%0.69275%0.754SS**  trans65.3112.7153.2-53.70000121.8
495S27.9Very low28.6Very low115 Ų115135 Ų13580%0.80477%0.771SS**  37.8145.7121.6-51.40000125.1
496E28Very low28.6Very low178 Ų178133.8 Ų133.883%0.83277%0.771SS**  trans97.3109.9142.9-88-179.9176.400122.9
497T24.6Very low28.6Very low113 Ų113135.8 Ų135.869%0.69378%0.776SS**  trans45.3122.3134.853.20000123.7
498V27.1Very low28.6Very low131 Ų131134 Ų13479%0.79478%0.776SS**  59.5121.7128.5-1740000119.1
499V23Very low28.7Very low129 Ų129136.2 Ų136.278%0.78278%0.779SS**  -174.1148.4119.8145.40000111M501V499-M501 HydrophobicContact CG1-CG 4.25Å
500K36.2Very low29.6Very low194 Ų194135.9 Ų135.984%0.84377%0.774SS**  trans-105.5121.7179.6166.3-170.4178.3178.20110.8
501M25.5Very low29.5Very low167 Ų167140.5 Ų140.582%0.82378%0.784SS**  trans-144.7104.9163.8-66.8-66.9-83.500106.7V499V499-M501 HydrophobicContact CG1-CG 4.25Å
502R26.1Very low29.5Very low238 Ų238140 Ų14090%0.89878%0.782SS**  49.992.473.3-158.1-175.3-162.6-160.44.6115.3
503G25.5Very low29.5Very low66 Ų66140 Ų14068%0.6878%0.777SS**  124.1140.8112.400000118.8
504Q29Very low29.4Very low195 Ų195141.1 Ų141.191%0.91178%0.78SS**  trans119.7109.5157.7-68.4179.36.400111.8
505S28.4Very low29.4Very low102 Ų102140.7 Ų140.771%0.71378%0.776SS**  105.4145.269.8-1460000107.7
506I32.1Very low29.5Very low131 Ų131146.3 Ų146.367%0.67278%0.78SS**  cis-153.6159.39.8-7.2-173.7000109.7
507E29.1Very low29.7Very low174 Ų174146.7 Ų146.781%0.81378%0.779SS**  trans60.6148.1151.8-75.6154.5-176.200120.3
508S29.8Very low30.7Very low115 Ų115146.4 Ų146.480%0.80478%0.779SS**  cis-142.7166.819.355.90000115
509L32.6Very low30.9Very low160 Ų160149.6 Ų149.684%0.83879%0.785SS**  trans-94.8-161.4-171.1-70.8135000113.1
510P48.9Very low31.2Very low100 Ų100148.9 Ų148.965%0.64979%0.786SS**  -136-174.3-79.143.6-27.5000113.5
511Q31Very low30.9Very low196 Ų196144.7 Ų144.792%0.91678%0.781SS**  trans-139.6143.5138.5-75.4-158.4-600112.2
512T28.5Very low31.3Very low120 Ų120144 Ų14474%0.73679%0.787SS**  trans-90155.4-177.945.70000110.7
513T28.5Very low31.5Very low122 Ų122139.2 Ų139.275%0.74878%0.779SS**  -178.7166.475.647.30000109.5
514T28.9Very low32Very low119 Ų119145.6 Ų145.673%0.7378%0.782SS**  cis-157.6164.27.9-6.10000113.5
515S27Very low32.2Very low89 Ų89144.4 Ų144.462%0.62278%0.777SS**  trans-2.6126.1151.756.40000121.9
516R29.7Very low32.4Very low233 Ų233145.2 Ų145.288%0.87978%0.782SS**  72145.691.1-70.2175.6173.3177.9-1.3115.2
517K32.1Very low32.5Very low186 Ų186148.2 Ų148.281%0.80979%0.793SS**  cis-161.8170.216.4-128.5-179.3178.7-170.30110.9
518P45.4Very low32.6Very low108 Ų108145.3 Ų145.370%0.70179%0.792SS**  trans-116.2166-178.841.1-30.2000115.5
519Q31.9Very low32.8Very low197 Ų197147.9 Ų147.992%0.92180%0.796SS**  trans162.5159.7156.9-97.4167-17.700108.8
520S28.1Very low32.8Very low115 Ų115148.1 Ų148.180%0.80480%0.798SS**  cis-150.4175.68.453.40000112.2
521S31.7Very low31.9Very low105 Ų105150 Ų15073%0.73480%0.803SS**  trans-95152.4177.153.70000114.3
522T32.8Very low31.8Very low154 Ų154146.2 Ų146.295%0.94579%0.788SS**  trans-155.8161144.312.10000112.4
523D31.6Very low31.7Very low136 Ų136150.9 Ų150.973%0.72779%0.792SS**  trans-117163-164.1168.245.1000112.6
524R35Very low31.6Very low200 Ų200152.2 Ų152.276%0.75579%0.793SS**  trans128.4124.1150-72.3177175.2169.2-1117.6
525H33.7Very low31.5Very low171 Ų171156 Ų15679%0.79280%0.796SS**  trans47153.3140.8-50.4-48.1000119.9
526S32Very low31.9Very low119 Ų119160.8 Ų160.883%0.83281%0.808SS**  cis-153.8173.519.744.60000112.1
527Q33.9Very low31.9Very low194 Ų194156.7 Ų156.791%0.90780%0.797SS**  trans-70.2155.6-179.7-63166.2-24.500114
528S30.7Very low31.7Very low112 Ų112154.2 Ų154.278%0.78379%0.793SS**  trans-148.3136.3144.8-171.10000110
529L34.4Very low31Very low169 Ų169155 Ų15589%0.88580%0.799SS**  trans-121.5128.1168-79169.6000106.6
530D32Very low30.9Very low165 Ų165152 Ų15288%0.88279%0.785SS**  trans-143.1152.9159.6-105.1-41.8000108.4
531D31.3Very low30.8Very low141 Ų141153.2 Ų153.275%0.75478%0.778SS**  trans-129.3173.7-137.9-150.7-13.7000113.3
532I28.4Very low30.7Very low116 Ų116160.3 Ų160.360%0.59579%0.789SS**  trans83.2111.4152.1-68.2165.4000120
533R27.5Very low30.6Very low218 Ų218156.6 Ų156.682%0.82377%0.774SS**  trans87.1134143.9-74.2166.8-158.8168.910.1122.2
534L26.5Very low30.2Very low149 Ų149157.4 Ų157.478%0.7877%0.773SS**  trans70.7126.4163.5-56.5151000113.3
535Y26.7Very low30Very low199 Ų199155.9 Ų155.978%0.7878%0.779SS**  -144.5141.152.1-105-96.1000115.8K537Y535-K537 PolarHBondContact O-N 3.24Å
536Q35Very low30.1Very low189 Ų189152.2 Ų152.288%0.88377%0.772SS**  trans-74.794.4154.5174.4-172.90.200109
537K29.8Very low30.3Very low148 Ų148154.7 Ų154.764%0.64377%0.77SS**  trans-169.295.3165.1-115.8-176.3-178.2-167.10112.4Y535Y535-K537 PolarHBondContact O-N 3.24Å
538D27.9Very low30.7Very low134 Ų134152.2 Ų152.272%0.71776%0.763SS**  trans-14841.4157.7-99.8-35.7000111.8
539C31.1Very low31.7Very low124 Ų124150.2 Ų150.284%0.83875%0.746SS**SBendtrans-104.332.9169.6-156.10000111.2
540Q29.5Very low32.3Very low134 Ų134144.9 Ų144.963%0.62673%0.726SS**  trans-131.4-5.4-179.4-65.8-166.2-79.900115.1W542Q540-W542 VanDerWaalsContact C-N 3.26Å; Q540-W542 PolarHBondContact O-N 3.24Å
541Q25.5Very low34Very low140 Ų140141.5 Ų141.565%0.65471%0.705SS**THydrogen-bonded Turntrans-81.48.1175.1-73.3-171.4-8.200115.3
542W30.1Very low35.4Very low254 Ų254137.8 Ų137.896%0.96269%0.69SS**THydrogen-bonded Turntrans-95.211.6173.6-78.479.7000113.8Q540Q540-W542 VanDerWaalsContact C-N 3.26Å; Q540-W542 PolarHBondContact O-N 3.24Å
543A29.3Very low37.4Very low76 Ų76134.5 Ų134.563%0.62867%0.671SS**SBendtrans-109.1-13.5-178.700000115
544E24.7Very low39.7Very low154 Ų154128.3 Ų128.372%0.7266%0.657SS**SBendtrans-104.1-7.8-171.1-68.8-176149.300115C546E544-C546 PolarHBondContact O-N 3.41Å
545L30.7Very low41.8Very low167 Ų167121.8 Ų121.887%0.87462%0.623SS**THydrogen-bonded Turntrans-74.419.5171.5-95.3150.7000114.3
546C36Very low42.9Very low94 Ų94115.4 Ų115.464%0.63562%0.617SS**THydrogen-bonded Turntrans-107.824.1175.6-81.10000113E544E544-C546 PolarHBondContact O-N 3.41Å
547Q35.6Very low42.9Very low171 Ų171112 Ų11280%0.79961%0.613SS**SBendtrans-115.948.8176.8-65.7-168.60.200113.5
548D41.3Very low43.1Very low143 Ų143109.5 Ų109.577%0.76562%0.62SS**  trans-164.480.7133-120.3-22.6000110.4A550D548-A550 VanDerWaalsContact C-N 3.34Å; D548-A550 PolarHBondContact O-N 2.96Å
549T51.8Low43.2Very low69 Ų69110.5 Ų110.542%0.42362%0.621SS.*  trans-94.216.3-172.156.40000114.1V275 G276V275-T549 WeakPolarHBondContact CA-O 3.39Å; G276-T549 PolarHBondContact N-O 2.58Å
550A47.3Very low43.1Very low57 Ų57113.5 Ų113.547%0.47162%0.622SS.*EExtended strand (participates in β ladder)trans-101.6110.7176.400000110.3F274 V275 D548F274-A550 WeakPolarHBondContact O-CA 3.4Å; V275-A550 HydrophobicContact CG2-CB 4.2Å; D548-A550 VanDerWaalsContact C-N 3.34Å; D548-A550 PolarHBondContact O-N 2.96Å
551H68.4Low43.2Very low95 Ų95113.7 Ų113.744%0.4463%0.627SS.*EExtended strand (participates in β ladder)trans-112.8130.4171.6-58.1-47.3000108.7F274 L306F274-H551 PolarHBondContact N-O 3.33Å; F274-H551 PolarHBondContact O-N 2.96Å; L306-H551 HydrophobicContact CD2-CB 3.47Å; L306-H551 VanDerWaalsContact CD2-CB 3.47Å
552S60.6Low43.3Very low63 Ų63114 Ų11444%0.44163%0.633SS.*EExtended strand (participates in β ladder)trans-135141.8177.3740000112K271 L272K271-S552 WeakPolarHBondContact CE-OG 3.3Å; K271-S552 PolarHBondContact NZ-OG 2.93Å; L272-S552 CarbonylContact O-C 3.59Å; L272-S552 VanDerWaalsContact O-CA 3.29Å; L272-S552 WeakPolarHBondContact O-CA 3.39Å
553Y70.9Confident43.4Very low47 Ų47109.1 Ų109.118%0.18463%0.626CS.*EExtended strand (participates in β ladder)trans-119.6117.4173-172.4-88.7000108.4L272 S310 H313 F555L272-Y553 PolarHBondContact N-O 3.49Å; L272-Y553 PolarHBondContact O-N 3.49Å; S310-Y553 VanDerWaalsContact OG-CB 3.24Å; S310-Y553 WeakPolarHBondContact OG-CB 3.33Å; S310-Y553 WeakPolarHBondContact OG-CD2 3.3Å; H313-Y553 AromaticContact ND1-CE1 3.75Å; Y553-F555 AromaticContact CD1-CD2 3.72Å; Y553-F555 HydrophobicContact CD1-CD2 3.72Å; Y553-F555 AromaticContact CD1-CE2 3.46Å; Y553-F555 HydrophobicContact CD1-CE2 3.46Å; Y553-F555 VanDerWaalsContact CD1-CE2 3.46Å; Y553-F555 HydrophobicContact CD1-CG 4.35Å; Y553-F555 AromaticContact CD1-CZ 3.92Å; Y553-F555 HydrophobicContact CD1-CZ 3.92Å; Y553-F555 HydrophobicContact CE1-CD2 4.17Å; Y553-F555 HydrophobicContact CE1-CE2 4.14Å; Y553-F555 HydrophobicContact CE1-CG 4.35Å; Y553-F555 HydrophobicContact CE1-CZ 4.31Å; Y553-F555 HydrophobicContact CG-CE2 4.49Å; Y553-F555 WeakPolarHBondContact O-CD2 3.4Å; Y553-F555 WeakPolarHBondContact O-CE2 3.45Å
554T74.2Confident43.4Very low88 Ų88108.3 Ų108.354%0.5463%0.625SS.*EExtended strand (participates in β ladder)trans-91.7140.1173.1-49.60000108.3
555F71.3Confident43.6Very low12 Ų12110.3 Ų110.35%0.05363%0.634CS.*  trans-100.2137.4-176.5-67.5-122.4000107.6W266 V269 G270 L272 H313 Y553W266-F555 AromaticContact CE3-CE1 3.77Å; W266-F555 HydrophobicContact CE3-CE1 3.77Å; W266-F555 AromaticContact CZ3-CE1 3.78Å; W266-F555 HydrophobicContact CZ3-CE1 3.78Å; W266-F555 HydrophobicContact CZ3-CZ 4.3Å; V269-F555 HydrophobicContact CB-CD1 3.78Å; V269-F555 HydrophobicContact CB-CE1 3.85Å; V269-F555 HydrophobicContact CB-CG 4.23Å; V269-F555 HydrophobicContact CB-CZ 4.33Å; V269-F555 HydrophobicContact CG1-CD1 3.78Å; V269-F555 HydrophobicContact CG1-CD2 3.82Å; V269-F555 HydrophobicContact CG1-CE1 3.58Å; V269-F555 HydrophobicContact CG1-CE2 3.63Å; V269-F555 HydrophobicContact CG1-CG 3.96Å; V269-F555 HydrophobicContact CG1-CZ 3.54Å; V269-F555 WeakPolarHBondContact O-CB 3.32Å; V269-F555 WeakPolarHBondContact O-CD1 3.33Å; V269-F555 WeakPolarHBondContact O-CG 3.16Å; G270-F555 PolarHBondContact O-N 3.13Å; L272-F555 HydrophobicContact CB-CE2 4.02Å; L272-F555 HydrophobicContact CD1-CE2 3.92Å; L272-F555 HydrophobicContact CD1-CZ 3.63Å; L272-F555 HydrophobicContact CG-CE2 3.52Å; L272-F555 HydrophobicContact CG-CZ 3.72Å; H313-F555 HydrophobicContact CB-CD1 4.26Å; H313-F555 HydrophobicContact CB-CE1 3.61Å; H313-F555 HydrophobicContact CB-CZ 4.34Å; H313-F555 AromaticContact CD2-CD1 3.29Å; H313-F555 WeakPolarHBondContact CD2-CD1 3.43Å; H313-F555 AromaticContact CD2-CE1 3.46Å; H313-F555 VanDerWaalsContact CD2-CE1 3.46Å; H313-F555 WeakPolarHBondContact CD2-CE1 3.31Å; H313-F555 AromaticContact CE1-CD1 3.51Å; H313-F555 AromaticContact CG-CD1 3.39Å; H313-F555 AromaticContact CG-CE1 3.25Å; H313-F555 AromaticContact ND1-CD1 3.54Å; H313-F555 AromaticContact ND1-CE1 3.75Å; H313-F555 AromaticContact NE2-CD1 3.36Å; H313-F555 WeakPolarHBondContact NE2-CD1 3.37Å; Y553-F555 AromaticContact CD1-CD2 3.72Å; Y553-F555 HydrophobicContact CD1-CD2 3.72Å; Y553-F555 AromaticContact CD1-CE2 3.46Å; Y553-F555 HydrophobicContact CD1-CE2 3.46Å; Y553-F555 VanDerWaalsContact CD1-CE2 3.46Å; Y553-F555 HydrophobicContact CD1-CG 4.35Å; Y553-F555 AromaticContact CD1-CZ 3.92Å; Y553-F555 HydrophobicContact CD1-CZ 3.92Å; Y553-F555 HydrophobicContact CE1-CD2 4.17Å; Y553-F555 HydrophobicContact CE1-CE2 4.14Å; Y553-F555 HydrophobicContact CE1-CG 4.35Å; Y553-F555 HydrophobicContact CE1-CZ 4.31Å; Y553-F555 HydrophobicContact CG-CE2 4.49Å; Y553-F555 WeakPolarHBondContact O-CD2 3.4Å; Y553-F555 WeakPolarHBondContact O-CE2 3.45Å
556G50.8Low43.5Very low65 Ų65105 Ų10567%0.6762%0.62SS**  trans22.9120.8171.800000120.1
557C34.6Very low43.2Very low117 Ų117109.5 Ų109.579%0.79163%0.631SS**  trans-122.776.2154.3-160.10000109.6
558A33Very low42.9Very low96 Ų96110.5 Ų110.579%0.79364%0.636SS**  trans-107.978.117200000108.7
559Q31.1Very low42.2Very low155 Ų155107 Ų10772%0.72463%0.633SS**  trans-9594.2171.6-168.5161.216.500108.6L561Q559-L561 VanDerWaalsContact C-N 3.31Å; Q559-L561 PolarHBondContact O-N 2.92Å
560E27.8Very low41.1Very low186 Ų186112 Ų11287%0.86966%0.657SS**  trans-65.892.3168.6-71.4-170.1166.200109.2N562E560-N562 VanDerWaalsContact C-N 3.33Å; E560-N562 PolarHBondContact O-N 3.06Å; E560-N562 VanDerWaalsContact O-N 3.12Å
561L32.5Very low40.1Very low138 Ų138113.3 Ų113.372%0.72366%0.662SS**  trans-73.790.9161.6-72.6173.2000108Q559 D563Q559-L561 VanDerWaalsContact C-N 3.31Å; Q559-L561 PolarHBondContact O-N 2.92Å; L561-D563 PolarHBondContact O-N 3.36Å
562N27.8Very low38.3Very low148 Ų148116.5 Ų116.579%0.79168%0.677SS**  trans-87.292.2170.8-166.556.8000109.4E560E560-N562 VanDerWaalsContact C-N 3.33Å; E560-N562 PolarHBondContact O-N 3.06Å; E560-N562 VanDerWaalsContact O-N 3.12Å
563D31.9Very low36.8Very low150 Ų150121.6 Ų121.680%0.80269%0.694SS**  trans-86.1133.3176-88.6-38.3000112.2L561L561-D563 PolarHBondContact O-N 3.36Å
564G29.1Very low34.7Very low59 Ų59131.1 Ų131.161%0.60873%0.73SS**  trans88.2131.7174.900000114.8
565E29.7Very low32.6Very low196 Ų196131.9 Ų131.992%0.91675%0.745SS**  cis-149.4168.4-0.6-64.6-163.99400108.7
566G27.2Very low30.4Very low56 Ų56134.7 Ų134.758%0.57778%0.778SS**  cis165.2156.8-2.900000111.2
567H29.9Very low29.4Very low188 Ų188138.9 Ų138.987%0.8779%0.79SS**  trans66146.4178.4-53-61.2000116.4
568Q29.3Very low29.2Very low193 Ų193141.8 Ų141.890%0.90280%0.797SS**  cis-120.8156-7-78.6146.5-23.400107.1
569G26.3Very low28.9Very low69 Ų69141 Ų14171%0.71180%0.799SS**  cis113.6101.126.900000109.7
570L28.7Very low28.8Very low175 Ų175142.6 Ų142.692%0.91681%0.806SS**  trans-169.4128.1149.8-104.2163.9000112.1
571S27.8Very low29.5Very low84 Ų84138.3 Ų138.359%0.58779%0.794SS**  trans-60.1157.5-17544.50000119.2
572E30.2Very low29.3Very low162 Ų162140.4 Ų140.476%0.75780%0.8SS**  trans74.8147.5144.7-76171.9-142.200118.8
573Q29.4Very low30Very low170 Ų170137.4 Ų137.479%0.79479%0.789SS**  cis-150.1164.721.1-135158.857.700113.1
574R27.1Very low29.8Very low247 Ų247140.4 Ų140.493%0.93280%0.795SS**  trans-81.8144.5-178.5-76.6170.9161.5166.2-6.7113.8
575A28.5Very low29.7Very low103 Ų103142.3 Ų142.385%0.85180%0.799SS**  161141.6125.400000110.5
576G26.3Very low29.7Very low72 Ų72141.1 Ų141.174%0.74280%0.797SS**  cis124.770.9-500000114.7
577T28.6Very low29.9Very low152 Ų152147.6 Ų147.693%0.93381%0.81SS**  trans-156.9148.8159.35.70000114.3
578L31.2Very low29.9Very low179 Ų179149.8 Ų149.894%0.93781%0.81SS**  trans-70.1158.4178.5-113.368.6000113.9
579G26.3Very low29.9Very low80 Ų80145.8 Ų145.883%0.82580%0.799SS**  trans165.297.1158.400000117.2
580E29Very low30Very low187 Ų187149 Ų14987%0.87480%0.8SS**  trans-124.2169157.5-111.7-155.8174.800107.9
581P43.3Very low30.1Very low96 Ų96147.9 Ų147.962%0.62379%0.788SS**  cis-137.1164.9-7.535.1-15.9000116.6
582Q27.5Very low30.2Very low182 Ų182152.9 Ų152.985%0.8580%0.795SS**  trans57.4174.3151.3-77.2-156.518.300120.7
583P43.6Very low30.1Very low86 Ų86155.1 Ų155.156%0.55880%0.803SS**  -126.2-178.6-56.638.3-23.5000110.9
584F26.3Very low30.1Very low212 Ų212151.3 Ų151.393%0.9380%0.795SS**  trans176.2158.2136.1-95.1-58.5000113.6
585S27.2Very low30.2Very low100 Ų100147.2 Ų147.270%0.69979%0.791SS**  trans-101148.9-173.359.80000114.2
586I30.2Very low30.4Very low170 Ų170149.3 Ų149.387%0.87279%0.787SS**  trans-134.8132.7156.7-61.6-176.6000110.6
587K30.5Very low30.7Very low193 Ų193153.5 Ų153.584%0.83979%0.792SS**  trans-109140170.1-71.5177.5175.51760110.4
588R31Very low31Very low234 Ų234151.6 Ų151.688%0.88378%0.78SS**  trans-164.8115.3153.4-96.3173-176173.70.9105.6
589T29.2Very low31Very low108 Ų108149.6 Ų149.666%0.66377%0.771SS**  cis78.1113.146.969.60000116.1
590N28.3Very low31.3Very low138 Ų138153 Ų15374%0.73877%0.77SS**  trans71.9147.9154.9-68.6-17.2000118.1
591K30.7Very low31.5Very low151 Ų151152.8 Ų152.866%0.65777%0.769SS**  cis-165.1156.6-0.6-118.9169.4-176.6-174.30111.6
592Y29.3Very low31.1Very low188 Ų188154.3 Ų154.374%0.73778%0.776SS**  trans45.1130.3153.7-68.6-64.8000122.4
593F29.7Very low32.2Very low210 Ų210150.8 Ų150.892%0.92177%0.769SS**  -152.2155.496.8-114.1-82.5000111.1
594S29Very low31.8Very low90 Ų90154.3 Ų154.363%0.62978%0.778SS**  trans-128.3154.7177.2174.50000108.8
595L29.4Very low32Very low161 Ų161152.3 Ų152.384%0.84377%0.77SS**  trans-160.299.5157-108.7167.4000110.1
596D32Very low32.4Very low146 Ų146153.4 Ų153.478%0.78177%0.772SS**  trans-89149.7155.2-86.3-45.2000108.9
597L33.2Very low33Very low160 Ų160155.4 Ų155.484%0.83879%0.791SS**  trans-147119.3150.9-103.1173000110.8
598T33.5Very low33.2Very low113 Ų113153.6 Ų153.669%0.69379%0.789SS**  trans-66.8174.9167.352.40000111.3
599N32.3Very low33.3Very low136 Ų136149.3 Ų149.373%0.72778%0.784SS**  cis-167.6163.219-136.718.6000109.2
600D31.6Very low33.5Very low153 Ų153151.6 Ų151.682%0.81879%0.791SS**  166.7155.7126.6-90.7-6.8000114.6
601E34.1Very low33.8Very low181 Ų181152.4 Ų152.485%0.84679%0.794SS**  trans-97.6-170.5-178.9-58.5-174.1107.500110.9
602V35.3Very low34Very low129 Ų129152.5 Ų152.578%0.78280%0.803SS**  cis-149.5-165.223.1-1290000109.7
603P50Low34.3Very low108 Ų108150.1 Ų150.170%0.70181%0.807SS**  trans-130.7-175.1-137.446.9-28.2000118
604E35.3Very low34.6Very low160 Ų160145.9 Ų145.975%0.74880%0.799SS**  trans71.3160.2141.6-141.7168.8-151.600123.2
605F31Very low35.1Very low170 Ų170150.2 Ų150.275%0.74681%0.812SS**  trans77.9109175.7-63.1-84.3000117.9
606V35.8Very low35.5Very low123 Ų123149.3 Ų149.375%0.74581%0.809SS**  81.1107.569.3170.50000113.6
607V42.6Very low35.9Very low212 Ų212149.5 Ų149.5100%1.28581%0.812SS**  -149.80105.9162.50000107.8

Retrieved 607 of 607 residues in 367 ms (Link to these results)

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