G4V7Z9_SCHMA Loading...

Epidermal growth factor receptor kinase substrate eps8-related protein AlphaSync

AlphaFold DB , UniProt , Accession G4V7Z9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 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
1M34.2Very low35.3Very low246 Ų246157.5 Ų157.5100%1.21281%0.805SS**  0107.60-81.4164.6127.100107.5
2N28.5Very low39.1Very low175 Ų175157.4 Ų157.494%0.93680%0.795SS**  trans-68.7131.6-175.4-73.1-17.5000111
3G31Very low42.8Very low71 Ų71151.2 Ų151.273%0.73277%0.77SS**  trans-133.57017600000111R5G3-R5 PolarHBondContact O-N 3.45Å; G3-R5 VanDerWaalsContact O-N 3.17Å
4N31.9Very low46.2Very low153 Ų153142.4 Ų142.482%0.81872%0.723SS**  trans-68.2100.3172.1-148.316.1000108.3
5R30.3Very low49.1Very low232 Ų232140.1 Ų140.188%0.87571%0.706SS**  trans-115.476.9171.4-79.6-171.6-175.5176.22.8110.1G3 N7G3-R5 PolarHBondContact O-N 3.45Å; G3-R5 VanDerWaalsContact O-N 3.17Å; R5-N7 VanDerWaalsContact C-N 3.29Å; R5-N7 PolarHBondContact O-N 3.1Å; R5-N7 VanDerWaalsContact O-N 3.08Å
6N30.3Very low51.6Low146 Ų146131.3 Ų131.378%0.78166%0.661SS**  trans-72.586.7157.8-83-14.1000108.6
7N27.5Very low53.8Low153 Ų153125.4 Ų125.482%0.81863%0.631SS**  trans-111.670162.3-106.50.6000107.9R5 R9R5-N7 VanDerWaalsContact C-N 3.29Å; R5-N7 PolarHBondContact O-N 3.1Å; R5-N7 VanDerWaalsContact O-N 3.08Å; N7-R9 VanDerWaalsContact C-N 3.27Å; N7-R9 PolarHBondContact O-N 3.03Å
8S31.2Very low55.9Low103 Ų103120.4 Ų120.472%0.7261%0.605SS**  trans-72.185.7169.4179.50000108.3H10S8-H10 PolarHBondContact O-N 3.1Å
9R38.6Very low57.5Low203 Ų203114.6 Ų114.677%0.76658%0.576SS**  trans-57.1123.7154.2-76.3-179.3179.3164.10.7104.7N7 L11N7-R9 VanDerWaalsContact C-N 3.27Å; N7-R9 PolarHBondContact O-N 3.03Å; R9-L11 VanDerWaalsContact C-N 3.31Å; R9-L11 VanDerWaalsContact O-CD1 3.26Å; R9-L11 WeakPolarHBondContact O-CD1 3.21Å; R9-L11 PolarHBondContact O-N 3.03Å
10H41.4Very low59Low187 Ų187113.8 Ų113.887%0.86657%0.566SS**  trans-52.995.6176.7-79.4-80.2000109.9S8 K12S8-H10 PolarHBondContact O-N 3.1Å; H10-K12 PolarHBondContact O-N 3.37Å
11L63Low60.3Low64 Ų64110.1 Ų110.134%0.33555%0.55SS..PPolyproline II helixtrans-63.8125.1174.8-98.672.4000107.3R9 T13 I55 D56R9-L11 VanDerWaalsContact C-N 3.31Å; R9-L11 VanDerWaalsContact O-CD1 3.26Å; R9-L11 WeakPolarHBondContact O-CD1 3.21Å; R9-L11 PolarHBondContact O-N 3.03Å; L11-T13 PolarHBondContact O-N 2.74Å; L11-I55 WeakPolarHBondContact CD2-O 3.33Å; L11-I55 WeakPolarHBondContact CG-O 3.13Å; L11-D56 HydrophobicContact CD2-CB 3.58Å
12K81Confident62.7Low156 Ų15699.7 Ų99.768%0.67850%0.498SS*.PPolyproline II helixtrans-66.7120.6169.6-75-175.1178.4-178.10108.1H10 Y14H10-K12 PolarHBondContact O-N 3.37Å; K12-Y14 HydrophobicContact CB-CE2 3.96Å; K12-Y14 WeakPolarHBondContact O-CE2 3.03Å
13T87.2Confident65.4Low76 Ų7696.2 Ų96.247%0.46648%0.475SS..EExtended strand (participates in β ladder)trans-102.3133.6175.9-53.70000109.3L11 N52L11-T13 PolarHBondContact O-N 2.74Å; T13-N52 HydrophobicContact CG2-CB 3.53Å
14Y90Very high67.7Low29 Ų2994.2 Ų94.211%0.11445%0.449CS..EExtended strand (participates in β ladder)trans-114.9132.1179.2-54.6-86.8000108.7K12 M53 T129 C130 L135 L138K12-Y14 HydrophobicContact CB-CE2 3.96Å; K12-Y14 WeakPolarHBondContact O-CE2 3.03Å; Y14-M53 PolarHBondContact N-O 3.29Å; Y14-M53 PolarHBondContact O-N 2.95Å; Y14-T129 WeakPolarHBondContact CA-OG1 3.03Å; Y14-C130 VanDerWaalsContact CD1-SG 3.56Å; Y14-L135 HydrophobicContact CD1-CD2 4.21Å; Y14-L135 HydrophobicContact CD2-CD2 3.48Å; Y14-L135 VanDerWaalsContact CD2-CD2 3.48Å; Y14-L135 HydrophobicContact CE2-CD2 3.82Å; Y14-L135 HydrophobicContact CG-CD1 4.4Å; Y14-L135 HydrophobicContact CG-CD2 3.7Å; Y14-L135 HydrophobicContact CG-CG 4.29Å; Y14-L138 HydrophobicContact CE1-CD1 4.48Å; Y14-L138 HydrophobicContact CE2-CD1 4.03Å; Y14-L138 WeakPolarHBondContact OH-CD1 3.46Å
15K89.7Confident70Confident107 Ų10789.7 Ų89.747%0.46543%0.427SS..EExtended strand (participates in β ladder)trans-82.5129.9175.6-60.3177.9177.7178.10108.8L128 T129K15-L128 HydrophobicContact CB-CB 4.23Å; K15-L128 HydrophobicContact CB-CD1 4.38Å; K15-L128 WeakPolarHBondContact O-CB 3.09Å; K15-L128 PolarHBondContact O-N 2.84Å; K15-T129 HydrophobicContact CB-CG2 3.68Å; K15-T129 HydrophobicContact CD-CG2 4.04Å; K15-T129 HydrophobicContact CG-CG2 3.77Å; K15-T129 PolarHBondContact N-OG1 3.25Å
16V90.3Very high72.1Confident0 Ų082.4 Ų82.40%041%0.41CS..EExtended strand (participates in β ladder)trans-133.1152.3178.8-59.90000109.9S50 F51 M53 L66 F125 Q126 V127 L135V16-S50 CarbonylContact O-C 3.58Å; V16-S50 WeakPolarHBondContact O-CA 3.4Å; V16-F51 HydrophobicContact CG2-CB 4.13Å; V16-F51 PolarHBondContact N-O 2.7Å; V16-F51 PolarHBondContact O-N 3.33Å; V16-F51 VanDerWaalsContact O-O 3.11Å; V16-M53 HydrophobicContact CG1-CB 3.96Å; V16-M53 HydrophobicContact CG1-CE 4.2Å; V16-M53 HydrophobicContact CG1-SD 4.06Å; V16-M53 HydrophobicContact CG2-CB 3.9Å; V16-M53 HydrophobicContact CG2-CE 4.13Å; V16-L66 HydrophobicContact CG2-CD2 4.36Å; V16-F125 HydrophobicContact CB-CB 4.43Å; V16-F125 HydrophobicContact CB-CD1 4.28Å; V16-F125 HydrophobicContact CG2-CD1 3.93Å; V16-F125 HydrophobicContact CG2-CE1 4.44Å; V16-Q126 CarbonylContact C-O 3.46Å; V16-Q126 VanDerWaalsContact CA-O 3.3Å; V16-Q126 WeakPolarHBondContact CA-O 3.29Å; V16-V127 HydrophobicContact CG1-CG1 4.47Å; V16-V127 HydrophobicContact CG1-CG2 4.35Å; V16-L135 HydrophobicContact CG1-CD1 4.25Å
17Q89.3Confident74.2Confident30 Ų3081.3 Ų81.314%0.1441%0.408CS..EExtended strand (participates in β ladder)trans-107.4118.2168.4-88.4171.9-11.800108.1L19 V48 R49 F125 Q126 L128Q17-L19 PolarHBondContact O-N 3.04Å; Q17-V48 HydrophobicContact CB-CG1 3.58Å; Q17-V48 HydrophobicContact CG-CG1 3.68Å; Q17-R49 CarbonylContact C-O 3.51Å; Q17-R49 WeakPolarHBondContact CA-O 3.45Å; Q17-F125 CarbonylContact O-C 3.48Å; Q17-F125 WeakPolarHBondContact O-CA 3.39Å; Q17-Q126 HydrophobicContact CB-CB 4.24Å; Q17-Q126 PolarHBondContact N-O 3.4Å; Q17-Q126 PolarHBondContact O-N 3.2Å; Q17-L128 HydrophobicContact CG-CD1 3.98Å
18H90.2Very high76.3Confident37 Ų3778.3 Ų78.317%0.17139%0.392CS..EExtended strand (participates in β ladder)trans-69.8121.5167.9178.8-106.8000108.4R20 T21 V48 R49 F51 F125H18-R20 VanDerWaalsContact NE2-C 3.31Å; H18-T21 PolarHBondContact NE2-N 2.8Å; H18-T21 PolarHBondContact NE2-OG1 3.06Å; H18-V48 WeakPolarHBondContact O-CA 3.29Å; H18-R49 PolarHBondContact N-O 3.39Å; H18-R49 PolarHBondContact O-N 3.33Å; H18-R49 VanDerWaalsContact O-N 3.15Å; H18-F51 HydrophobicContact CB-CD2 3.75Å; H18-F51 HydrophobicContact CB-CE2 3.58Å; H18-F125 HydrophobicContact CB-CD1 3.96Å; H18-F125 HydrophobicContact CB-CE1 3.73Å; H18-F125 AromaticContact CD2-CE1 3.58Å; H18-F125 AromaticContact CD2-CZ 3.72Å
19L86.8Confident77.9Confident9 Ų980.1 Ų80.15%0.04740%0.399CS..EExtended strand (participates in β ladder)trans-93.7-51.8-177.7-60.6172000110.2Q17 L40 Y45 V48 V99 L102 L124 Q126Q17-L19 PolarHBondContact O-N 3.04Å; L19-L40 HydrophobicContact CB-CD2 3.99Å; L19-L40 HydrophobicContact CD1-CD2 4.26Å; L19-Y45 HydrophobicContact CB-CD1 4.05Å; L19-Y45 HydrophobicContact CB-CE1 3.66Å; L19-Y45 HydrophobicContact CD1-CE1 3.83Å; L19-Y45 HydrophobicContact CD2-CD1 3.9Å; L19-Y45 HydrophobicContact CD2-CE1 3.69Å; L19-Y45 HydrophobicContact CG-CD1 4.41Å; L19-Y45 HydrophobicContact CG-CE1 3.87Å; L19-V48 HydrophobicContact CD2-CG1 4.26Å; L19-V48 HydrophobicContact CD2-CG2 4.16Å; L19-V99 HydrophobicContact CD1-CG1 4.38Å; L19-L102 HydrophobicContact CD1-CD2 3.25Å; L19-L124 HydrophobicContact CB-CB 4.31Å; L19-L124 WeakPolarHBondContact CB-O 3.43Å; L19-L124 PolarHBondContact N-O 3.43Å; L19-Q126 HydrophobicContact CD1-CB 4Å; L19-Q126 HydrophobicContact CD2-CB 3.99Å; L19-Q126 HydrophobicContact CG-CB 4.2Å
20R86.8Confident79.3Confident99 Ų9971.9 Ų71.937%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-167.3153.4178-157.5157.8-173.5169.92.4111.4H18 F22 L40 L124H18-R20 VanDerWaalsContact NE2-C 3.31Å; R20-F22 HydrophobicContact CB-CE2 4.38Å; R20-F22 HydrophobicContact CG-CE1 4.43Å; R20-F22 HydrophobicContact CG-CE2 4.37Å; R20-F22 HydrophobicContact CG-CZ 4.28Å; R20-L40 HydrophobicContact CB-CD1 3.52Å; R20-L40 HydrophobicContact CG-CD1 4.25Å; R20-L124 PolarHBondContact N-O 3.35Å; R20-L124 PolarHBondContact O-N 2.88Å
21T87.6Confident80.3Confident37 Ų3764.3 Ų64.323%0.22734%0.337CS..EExtended strand (participates in β ladder)trans-113.8126.3161.1-57.40000107.4H18 E121 I122 H123H18-T21 PolarHBondContact NE2-N 2.8Å; H18-T21 PolarHBondContact NE2-OG1 3.06Å; T21-E121 HydrophobicContact CG2-CB 3.88Å; T21-E121 HydrophobicContact CG2-CG 4.31Å; T21-I122 CarbonylContact C-O 3.6Å; T21-I122 VanDerWaalsContact CA-O 3.31Å; T21-I122 WeakPolarHBondContact CA-O 3.24Å; T21-H123 PolarHBondContact OG1-ND1 3.14Å
22F84Confident80.5Confident27 Ų2766 Ų6612%0.11835%0.346CS..EExtended strand (participates in β ladder)trans-98.3130.5169.3-61.9-85.1000109.2R20 A36 L39 L40 E121 I122 L124R20-F22 HydrophobicContact CB-CE2 4.38Å; R20-F22 HydrophobicContact CG-CE1 4.43Å; R20-F22 HydrophobicContact CG-CE2 4.37Å; R20-F22 HydrophobicContact CG-CZ 4.28Å; F22-A36 HydrophobicContact CD2-CB 4.13Å; F22-A36 HydrophobicContact CE2-CB 4.11Å; F22-A36 VanDerWaalsContact CE2-O 3.26Å; F22-A36 WeakPolarHBondContact CE2-O 3.27Å; F22-L39 HydrophobicContact CE1-CB 3.87Å; F22-L39 HydrophobicContact CE1-CD1 4.36Å; F22-L39 HydrophobicContact CZ-CB 3.69Å; F22-L40 HydrophobicContact CE2-CB 4.11Å; F22-L40 HydrophobicContact CZ-CB 3.94Å; F22-E121 CarbonylContact O-C 3.6Å; F22-E121 VanDerWaalsContact O-CA 3.31Å; F22-E121 WeakPolarHBondContact O-CA 3.2Å; F22-I122 HydrophobicContact CB-CG2 3.67Å; F22-I122 HydrophobicContact CD2-CG2 4.05Å; F22-I122 HydrophobicContact CG-CG2 4.35Å; F22-I122 PolarHBondContact N-O 3.04Å; F22-I122 PolarHBondContact O-N 2.8Å; F22-L124 HydrophobicContact CD2-CD1 3.61Å; F22-L124 HydrophobicContact CE2-CD1 3.78Å; F22-L124 HydrophobicContact CE2-CD2 4.47Å
23E86.3Confident80Confident101 Ų10160.3 Ų60.347%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-110.6138.8179.5-55.3178.8-17200110.5R119 N120 E121E23-R119 HydrophobicContact CB-CB 4.17Å; E23-R119 WeakPolarHBondContact OE2-CD 3.37Å; E23-R119 IonicContact OE2-CZ 3.18Å; E23-R119 IonicContact OE2-NH1 3.97Å; E23-R119 PolarHBondContact OE2-NH1 3.11Å; E23-N120 CarbonylContact C-O 3.46Å; E23-N120 WeakPolarHBondContact CA-O 3.49Å; E23-E121 HydrophobicContact CG-CG 4.13Å
24V79.2Confident79.1Confident29 Ų2960.7 Ų60.718%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-134.1146.5178.6174.60000108.9N28 L30 R119 N120V24-N28 HydrophobicContact CG1-CB 3.14Å; V24-N28 WeakPolarHBondContact CG1-O 3.47Å; V24-L30 HydrophobicContact CB-CD2 4Å; V24-L30 HydrophobicContact CB-CG 4.46Å; V24-L30 HydrophobicContact CG2-CD2 3.89Å; V24-R119 CarbonylContact O-C 3.52Å; V24-R119 WeakPolarHBondContact O-CA 3.18Å; V24-R119 VanDerWaalsContact O-CB 3.22Å; V24-R119 WeakPolarHBondContact O-CB 3.16Å; V24-N120 PolarHBondContact N-O 3.48Å; V24-N120 PolarHBondContact O-N 2.93Å
25T78.5Confident78.5Confident58 Ų5862 Ų6236%0.35633%0.333SS..  trans-57.1151.1177.452.30000110.8T27 N28 N120T25-T27 PolarHBondContact O-N 3.31Å; T25-T27 PolarHBondContact OG1-OG1 3.16Å; T25-N28 PolarHBondContact O-N 3.05Å; T25-N28 WeakPolarHBondContact OG1-CB 3.31Å; T25-N28 PolarHBondContact OG1-ND2 3Å; T25-N28 PolarHBondContact OG1-OD1 3.4Å; T25-N120 PolarHBondContact O-ND2 2.69Å
26P75.9Confident77.9Confident79 Ų7956.9 Ų56.951%0.51331%0.311SS..THydrogen-bonded Turntrans-54.5-28.8-176.7-26.433.9000114.3A109 R118 N120P26-A109 HydrophobicContact CB-CB 3.82Å; P26-A109 HydrophobicContact CG-CB 3.62Å; P26-R118 WeakPolarHBondContact CG-O 3.48Å; P26-N120 WeakPolarHBondContact CA-ND2 3.2Å; P26-N120 PolarHBondContact O-ND2 2.73Å; P26-N120 VanDerWaalsContact O-ND2 3.14Å
27T74.6Confident77.2Confident123 Ų12356.9 Ų56.976%0.75531%0.311SS*.THydrogen-bonded Turntrans-78.3-19.3179.756.20000114.4T25T25-T27 PolarHBondContact O-N 3.31Å; T25-T27 PolarHBondContact OG1-OG1 3.16Å
28N70.1Confident76.7Confident90 Ų9058.5 Ų58.548%0.48132%0.32SS..SBendtrans-101.2144.4-170.9-74.114.1000109.8V24 T25 L30 N120V24-N28 HydrophobicContact CG1-CB 3.14Å; V24-N28 WeakPolarHBondContact CG1-O 3.47Å; T25-N28 PolarHBondContact O-N 3.05Å; T25-N28 WeakPolarHBondContact OG1-CB 3.31Å; T25-N28 PolarHBondContact OG1-ND2 3Å; T25-N28 PolarHBondContact OG1-OD1 3.4Å; N28-L30 PolarHBondContact O-N 2.95Å; N28-N120 PolarHBondContact O-ND2 3.3Å
29V65.8Low76.1Confident141 Ų14159.9 Ų59.986%0.85533%0.328SS*.PPolyproline II helixtrans-71.6129.3178.4-175.40000108.8
30L66.8Low75.7Confident30 Ų3059.5 Ų59.516%0.15733%0.326CS..PPolyproline II helixtrans-63.8144.9173.5-86.2163.9000110.4V24 N28 N32 T106 N120 I122V24-L30 HydrophobicContact CB-CD2 4Å; V24-L30 HydrophobicContact CB-CG 4.46Å; V24-L30 HydrophobicContact CG2-CD2 3.89Å; N28-L30 PolarHBondContact O-N 2.95Å; L30-N32 PolarHBondContact O-N 2.8Å; L30-T106 HydrophobicContact CD1-CG2 3.23Å; L30-N120 HydrophobicContact CD1-CB 3.62Å; L30-N120 HydrophobicContact CD2-CB 4.16Å; L30-N120 HydrophobicContact CG-CB 3.69Å; L30-I122 HydrophobicContact CD2-CB 4.24Å; L30-I122 HydrophobicContact CD2-CG2 4.03Å
31P64.2Low75.2Confident28 Ų2857.4 Ų57.418%0.18232%0.322CS..PPolyproline II helixtrans-57.9140.3170.326.5-32.5000109.1T35 A36 L39 I122P31-T35 HydrophobicContact CB-CG2 3.82Å; P31-A36 HydrophobicContact CG-CB 4.37Å; P31-L39 HydrophobicContact CB-CD1 4.48Å; P31-I122 HydrophobicContact CG-CG2 4.24Å
32N66.3Low74.6Confident99 Ų9962.9 Ų62.953%0.52935%0.345SS..PPolyproline II helixtrans-64.2166.217268.245.4000109.9L30 Q34 T35 A36L30-N32 PolarHBondContact O-N 2.8Å; N32-Q34 PolarHBondContact O-N 3.08Å; N32-Q34 VanDerWaalsContact O-N 3.16Å; N32-Q34 WeakPolarHBondContact OD1-CA 3.37Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.18Å; N32-Q34 PolarHBondContact OD1-N 3.48Å; N32-T35 PolarHBondContact ND2-OG1 2.79Å; N32-T35 PolarHBondContact O-N 3.34Å; N32-T35 PolarHBondContact OD1-N 3.03Å; N32-T35 PolarHBondContact OD1-OG1 3.43Å; N32-T35 VanDerWaalsContact OD1-OG1 3.11Å; N32-A36 WeakPolarHBondContact O-CB 3.36Å; N32-A36 PolarHBondContact O-N 3.16Å
33T69.9Low73.5Confident37 Ų3762.9 Ų62.923%0.22735%0.352CS..Hα-helixtrans-54.3-37.4-178.8-550000113V37 T104T33-V37 VanDerWaalsContact O-CG2 3.27Å; T33-V37 WeakPolarHBondContact O-CG2 3Å; T33-V37 PolarHBondContact O-N 3.3Å; T33-T104 HydrophobicContact CG2-CG2 3.89Å; T33-T104 WeakPolarHBondContact CG2-OG1 3.35Å
34Q70Confident72.1Confident85 Ų8563 Ų6340%0.39736%0.363SS..Hα-helixtrans-67-52.2179.5-179.161.251.500110.9N32 A36 V37 D38 R90N32-Q34 PolarHBondContact O-N 3.08Å; N32-Q34 VanDerWaalsContact O-N 3.16Å; N32-Q34 WeakPolarHBondContact OD1-CA 3.37Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.18Å; N32-Q34 PolarHBondContact OD1-N 3.48Å; Q34-A36 VanDerWaalsContact C-N 3.27Å; Q34-A36 PolarHBondContact O-N 2.94Å; Q34-V37 PolarHBondContact O-N 3.02Å; Q34-V37 VanDerWaalsContact O-N 3.08Å; Q34-D38 PolarHBondContact NE2-OD1 3.44Å; Q34-D38 PolarHBondContact NE2-OD2 2.84Å; Q34-D38 PolarHBondContact O-N 2.95Å; Q34-R90 VanDerWaalsContact CD-NH1 3.3Å
35T75.9Confident71Confident56 Ų5663.5 Ų63.534%0.34436%0.362SS..Hα-helixtrans-59.6-38.6177.3-54.40000111.7P31 N32 D38 L39P31-T35 HydrophobicContact CB-CG2 3.82Å; N32-T35 PolarHBondContact ND2-OG1 2.79Å; N32-T35 PolarHBondContact O-N 3.34Å; N32-T35 PolarHBondContact OD1-N 3.03Å; N32-T35 PolarHBondContact OD1-OG1 3.43Å; N32-T35 VanDerWaalsContact OD1-OG1 3.11Å; T35-D38 PolarHBondContact O-N 3.14Å; T35-L39 HydrophobicContact CG2-CD1 4.19Å; T35-L39 HydrophobicContact CG2-CG 4.4Å; T35-L39 WeakPolarHBondContact O-CB 3.15Å; T35-L39 VanDerWaalsContact O-CG 3.24Å; T35-L39 WeakPolarHBondContact O-CG 3.13Å; T35-L39 PolarHBondContact O-N 3.4Å
36A76.6Confident69.9Low0 Ų064.4 Ų64.40%037%0.368CS..Hα-helixtrans-65.2-39.3176.100000112.1F22 P31 N32 Q34 L40 I122 L124F22-A36 HydrophobicContact CD2-CB 4.13Å; F22-A36 HydrophobicContact CE2-CB 4.11Å; F22-A36 VanDerWaalsContact CE2-O 3.26Å; F22-A36 WeakPolarHBondContact CE2-O 3.27Å; P31-A36 HydrophobicContact CG-CB 4.37Å; N32-A36 WeakPolarHBondContact O-CB 3.36Å; N32-A36 PolarHBondContact O-N 3.16Å; Q34-A36 VanDerWaalsContact C-N 3.27Å; Q34-A36 PolarHBondContact O-N 2.94Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 PolarHBondContact O-N 3.11Å; A36-I122 HydrophobicContact CB-CD1 3.91Å; A36-I122 HydrophobicContact CB-CG2 4.39Å; A36-L124 HydrophobicContact CB-CD1 4.23Å; A36-L124 HydrophobicContact CB-CD2 4.09Å
37V76.7Confident69.2Low0 Ų068.1 Ų68.10%037%0.373CS..Hα-helixtrans-66.7-41.3173.7171.10000111.1T33 Q34 L40 L41 L102 L124T33-V37 VanDerWaalsContact O-CG2 3.27Å; T33-V37 WeakPolarHBondContact O-CG2 3Å; T33-V37 PolarHBondContact O-N 3.3Å; Q34-V37 PolarHBondContact O-N 3.02Å; Q34-V37 VanDerWaalsContact O-N 3.08Å; V37-L40 WeakPolarHBondContact O-CB 3.46Å; V37-L40 PolarHBondContact O-N 3.27Å; V37-L41 HydrophobicContact CG1-CD1 4.05Å; V37-L41 VanDerWaalsContact O-CG 3.32Å; V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 3.28Å; V37-L102 HydrophobicContact CG1-CD1 4.46Å; V37-L102 HydrophobicContact CG2-CD1 3.81Å; V37-L124 HydrophobicContact CG2-CD2 4.03Å
38D78Confident69.3Low63 Ų6364.8 Ų64.834%0.33735%0.352SS..Hα-helixtrans-63.2-48.5177.9-61.2-28.6000111Q34 T35 L40 L41 E42Q34-D38 PolarHBondContact NE2-OD1 3.44Å; Q34-D38 PolarHBondContact NE2-OD2 2.84Å; Q34-D38 PolarHBondContact O-N 2.95Å; T35-D38 PolarHBondContact O-N 3.14Å; D38-L40 PolarHBondContact O-N 2.89Å; D38-L41 WeakPolarHBondContact O-CB 3.32Å; D38-L41 PolarHBondContact O-N 2.96Å; D38-L41 VanDerWaalsContact O-N 3.12Å; D38-E42 WeakPolarHBondContact O-CG 3.41Å; D38-E42 PolarHBondContact O-N 3Å
39L77.9Confident69.8Low66 Ų6666.8 Ų66.835%0.34635%0.353SS..Hα-helixtrans-59.3-33.4174.1-73.9172.6000112.8F22 P31 T35 G43F22-L39 HydrophobicContact CE1-CB 3.87Å; F22-L39 HydrophobicContact CE1-CD1 4.36Å; F22-L39 HydrophobicContact CZ-CB 3.69Å; P31-L39 HydrophobicContact CB-CD1 4.48Å; T35-L39 HydrophobicContact CG2-CD1 4.19Å; T35-L39 HydrophobicContact CG2-CG 4.4Å; T35-L39 WeakPolarHBondContact O-CB 3.15Å; T35-L39 VanDerWaalsContact O-CG 3.24Å; T35-L39 WeakPolarHBondContact O-CG 3.13Å; T35-L39 PolarHBondContact O-N 3.4Å; L39-G43 PolarHBondContact O-N 3.48Å
40L78.6Confident70.8Confident1 Ų162.7 Ų62.71%0.00533%0.331CS..Hα-helixtrans-72.8-36.9179.9-179.658.8000111L19 R20 F22 A36 V37 D38 G43 C44 Y45 L124L19-L40 HydrophobicContact CB-CD2 3.99Å; L19-L40 HydrophobicContact CD1-CD2 4.26Å; R20-L40 HydrophobicContact CB-CD1 3.52Å; R20-L40 HydrophobicContact CG-CD1 4.25Å; F22-L40 HydrophobicContact CE2-CB 4.11Å; F22-L40 HydrophobicContact CZ-CB 3.94Å; A36-L40 WeakPolarHBondContact O-CB 3.43Å; A36-L40 PolarHBondContact O-N 3.11Å; V37-L40 WeakPolarHBondContact O-CB 3.46Å; V37-L40 PolarHBondContact O-N 3.27Å; D38-L40 PolarHBondContact O-N 2.89Å; L40-G43 PolarHBondContact O-N 2.99Å; L40-C44 PolarHBondContact O-N 3Å; L40-Y45 HydrophobicContact CB-CE2 4.47Å; L40-Y45 HydrophobicContact CD1-CD1 3.77Å; L40-Y45 HydrophobicContact CD1-CD2 4.42Å; L40-Y45 HydrophobicContact CD1-CE1 3.57Å; L40-Y45 HydrophobicContact CD1-CE2 4.21Å; L40-Y45 HydrophobicContact CD1-CG 4.23Å; L40-Y45 HydrophobicContact CD2-CD1 4.35Å; L40-Y45 HydrophobicContact CD2-CE1 3.35Å; L40-Y45 HydrophobicContact CD2-CE2 4.28Å; L40-Y45 WeakPolarHBondContact CD2-OH 3.37Å; L40-Y45 HydrophobicContact CG-CD1 4.03Å; L40-Y45 HydrophobicContact CG-CD2 4.28Å; L40-Y45 HydrophobicContact CG-CE1 3.34Å; L40-Y45 HydrophobicContact CG-CE2 3.6Å; L40-Y45 HydrophobicContact CG-CG 4.47Å; L40-Y45 WeakPolarHBondContact CG-OH 3.27Å; L40-Y45 WeakPolarHBondContact O-CD2 3.49Å; L40-Y45 WeakPolarHBondContact O-CE2 3.43Å; L40-L124 HydrophobicContact CD2-CB 4.05Å; L40-L124 HydrophobicContact CD2-CD2 3.54Å; L40-L124 HydrophobicContact CD2-CG 4.34Å
41L76.5Confident71.9Confident56 Ų5661.9 Ų61.929%0.29333%0.326SS..Hα-helixtrans-70.6-40.6172-67.3164.9000112.5V37 D38 G43 C44 Y45 P98 V99V37-L41 HydrophobicContact CG1-CD1 4.05Å; V37-L41 VanDerWaalsContact O-CG 3.32Å; V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 3.28Å; D38-L41 WeakPolarHBondContact O-CB 3.32Å; D38-L41 PolarHBondContact O-N 2.96Å; D38-L41 VanDerWaalsContact O-N 3.12Å; L41-G43 PolarHBondContact O-N 2.96Å; L41-C44 PolarHBondContact O-N 3.09Å; L41-C44 VanDerWaalsContact O-N 3.13Å; L41-Y45 HydrophobicContact CD2-CE2 3.94Å; L41-Y45 HydrophobicContact CG-CE2 4.43Å; L41-P98 HydrophobicContact CD2-CG 3.76Å; L41-V99 HydrophobicContact CD2-CG2 4.5Å
42E75.4Confident73.2Confident152 Ų15261.7 Ų61.771%0.7132%0.323SS*.Hα-helixtrans-58.8-29.7173.6-74.4177.8-178.900112.1D38D38-E42 WeakPolarHBondContact O-CG 3.41Å; D38-E42 PolarHBondContact O-N 3Å
43G61.3Low74.5Confident26 Ų2657 Ų5727%0.26830%0.298SS..THydrogen-bonded Turntrans-92.27.2178.700000115.9L39 L40 L41 Y45L39-G43 PolarHBondContact O-N 3.48Å; L40-G43 PolarHBondContact O-N 2.99Å; L41-G43 PolarHBondContact O-N 2.96Å; G43-Y45 PolarHBondContact O-N 3.42Å
44C55.3Low75.6Confident104 Ų10455.9 Ų55.970%0.70329%0.292SS*.THydrogen-bonded Turntrans38.942.5175.1-65.60000115.2L40 L41 T46L40-C44 PolarHBondContact O-N 3Å; L41-C44 PolarHBondContact O-N 3.09Å; L41-C44 VanDerWaalsContact O-N 3.13Å; C44-T46 PolarHBondContact O-N 3.32Å
45Y57.5Low76.5Confident39 Ų3953.7 Ų53.715%0.15328%0.283CS..THydrogen-bonded Turntrans39.569.4166.9-70.2-100.9000116.8L19 L40 L41 G43 V48 V99L19-Y45 HydrophobicContact CB-CD1 4.05Å; L19-Y45 HydrophobicContact CB-CE1 3.66Å; L19-Y45 HydrophobicContact CD1-CE1 3.83Å; L19-Y45 HydrophobicContact CD2-CD1 3.9Å; L19-Y45 HydrophobicContact CD2-CE1 3.69Å; L19-Y45 HydrophobicContact CG-CD1 4.41Å; L19-Y45 HydrophobicContact CG-CE1 3.87Å; L40-Y45 HydrophobicContact CB-CE2 4.47Å; L40-Y45 HydrophobicContact CD1-CD1 3.77Å; L40-Y45 HydrophobicContact CD1-CD2 4.42Å; L40-Y45 HydrophobicContact CD1-CE1 3.57Å; L40-Y45 HydrophobicContact CD1-CE2 4.21Å; L40-Y45 HydrophobicContact CD1-CG 4.23Å; L40-Y45 HydrophobicContact CD2-CD1 4.35Å; L40-Y45 HydrophobicContact CD2-CE1 3.35Å; L40-Y45 HydrophobicContact CD2-CE2 4.28Å; L40-Y45 WeakPolarHBondContact CD2-OH 3.37Å; L40-Y45 HydrophobicContact CG-CD1 4.03Å; L40-Y45 HydrophobicContact CG-CD2 4.28Å; L40-Y45 HydrophobicContact CG-CE1 3.34Å; L40-Y45 HydrophobicContact CG-CE2 3.6Å; L40-Y45 HydrophobicContact CG-CG 4.47Å; L40-Y45 WeakPolarHBondContact CG-OH 3.27Å; L40-Y45 WeakPolarHBondContact O-CD2 3.49Å; L40-Y45 WeakPolarHBondContact O-CE2 3.43Å; L41-Y45 HydrophobicContact CD2-CE2 3.94Å; L41-Y45 HydrophobicContact CG-CE2 4.43Å; G43-Y45 PolarHBondContact O-N 3.42Å; Y45-V48 HydrophobicContact CD1-CG2 4.42Å; Y45-V99 HydrophobicContact CD1-CG1 4.46Å; Y45-V99 HydrophobicContact CE1-CG1 3.58Å; Y45-V99 HydrophobicContact CE2-CG1 3.93Å; Y45-V99 WeakPolarHBondContact OH-CG1 3.39Å; Y45-V99 WeakPolarHBondContact OH-CG2 3.42Å
46T54.2Low77.1Confident78 Ų7852.9 Ų52.948%0.47928%0.276SS..  trans-84.3-7.5-171.447.30000116.4C44 L341C44-T46 PolarHBondContact O-N 3.32Å; T46-L341 WeakPolarHBondContact O-CD2 3.34Å
47Y61.3Low77.4Confident156 Ų15657.2 Ų57.261%0.61230%0.299SS*.  trans-152.883.7178.5-67-77.3000112.9L341Y47-L341 HydrophobicContact CD1-CD2 4.35Å; Y47-L341 HydrophobicContact CE1-CD2 4.11Å
48V76.8Confident77.5Confident53 Ų5360.9 Ų60.932%0.32132%0.319SS..  trans-88.5132174.5-177.80000110.1Q17 H18 L19 Y45Q17-V48 HydrophobicContact CB-CG1 3.58Å; Q17-V48 HydrophobicContact CG-CG1 3.68Å; H18-V48 WeakPolarHBondContact O-CA 3.29Å; L19-V48 HydrophobicContact CD2-CG1 4.26Å; L19-V48 HydrophobicContact CD2-CG2 4.16Å; Y45-V48 HydrophobicContact CD1-CG2 4.42Å
49R80.9Confident77.3Confident133 Ų13366.2 Ų66.250%0.50235%0.347SS..EExtended strand (participates in β ladder)trans-124.9130176.2-74.4-177.3175.8-159.41.6111.3Q17 H18 F51Q17-R49 CarbonylContact C-O 3.51Å; Q17-R49 WeakPolarHBondContact CA-O 3.45Å; H18-R49 PolarHBondContact N-O 3.39Å; H18-R49 PolarHBondContact O-N 3.33Å; H18-R49 VanDerWaalsContact O-N 3.15Å; R49-F51 HydrophobicContact CB-CD2 4.37Å; R49-F51 HydrophobicContact CB-CE2 3.58Å; R49-F51 HydrophobicContact CB-CZ 3.8Å; R49-F51 WeakPolarHBondContact O-CD2 3.36Å
50S86.3Confident77.3Confident54 Ų5465.7 Ų65.738%0.37836%0.357SS..EExtended strand (participates in β ladder)trans-81.6132.6176.1-57.40000111.4V16V16-S50 CarbonylContact O-C 3.58Å; V16-S50 WeakPolarHBondContact O-CA 3.4Å
51F91.2Very high77.5Confident14 Ų1469.1 Ų69.16%0.06137%0.374CS..EExtended strand (participates in β ladder)trans-132.7156.8176.6-63-71.6000110.8V16 H18 R49 L66 D68 V76V16-F51 HydrophobicContact CG2-CB 4.13Å; V16-F51 PolarHBondContact N-O 2.7Å; V16-F51 PolarHBondContact O-N 3.33Å; V16-F51 VanDerWaalsContact O-O 3.11Å; H18-F51 HydrophobicContact CB-CD2 3.75Å; H18-F51 HydrophobicContact CB-CE2 3.58Å; R49-F51 HydrophobicContact CB-CD2 4.37Å; R49-F51 HydrophobicContact CB-CE2 3.58Å; R49-F51 HydrophobicContact CB-CZ 3.8Å; R49-F51 WeakPolarHBondContact O-CD2 3.36Å; F51-L66 HydrophobicContact CB-CD2 4.48Å; F51-D68 HydrophobicContact CD1-CB 4.34Å; F51-D68 HydrophobicContact CE1-CB 4.32Å; F51-V76 HydrophobicContact CD1-CG2 4.25Å; F51-V76 HydrophobicContact CE1-CB 4.38Å; F51-V76 HydrophobicContact CE1-CG1 4.22Å; F51-V76 HydrophobicContact CE1-CG2 3.92Å
52N90.9Very high78.1Confident24 Ų2467.8 Ų67.813%0.12837%0.368CS..EExtended strand (participates in β ladder)trans-94.5116.4167.4-80.9-19.1000108.2T13 L66 S67 N73T13-N52 HydrophobicContact CG2-CB 3.53Å; N52-L66 WeakPolarHBondContact O-CA 3.43Å; N52-S67 WeakPolarHBondContact CB-OG 3.37Å; N52-S67 PolarHBondContact N-O 2.67Å; N52-S67 PolarHBondContact O-N 3.44Å; N52-S67 PolarHBondContact O-OG 3.47Å; N52-S67 VanDerWaalsContact O-OG 3.11Å; N52-N73 PolarHBondContact ND2-OD1 3.01Å
53M93.1Very high78.9Confident1 Ų162.5 Ų62.51%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-99.1123.2177.8-178.6179.2-79.700109.7Y14 V16 L64 I65 L66 L103 F125 L135Y14-M53 PolarHBondContact N-O 3.29Å; Y14-M53 PolarHBondContact O-N 2.95Å; V16-M53 HydrophobicContact CG1-CB 3.96Å; V16-M53 HydrophobicContact CG1-CE 4.2Å; V16-M53 HydrophobicContact CG1-SD 4.06Å; V16-M53 HydrophobicContact CG2-CB 3.9Å; V16-M53 HydrophobicContact CG2-CE 4.13Å; M53-L64 HydrophobicContact CE-CD1 4.47Å; M53-L64 HydrophobicContact CE-CD2 4.18Å; M53-L64 HydrophobicContact CG-CD1 3.46Å; M53-L64 VanDerWaalsContact CG-CD1 3.46Å; M53-L64 HydrophobicContact CG-CG 4.27Å; M53-L64 HydrophobicContact SD-CD1 3.82Å; M53-L64 HydrophobicContact SD-CD2 4.46Å; M53-I65 WeakPolarHBondContact CA-O 3.46Å; M53-L66 HydrophobicContact CB-CD2 3.91Å; M53-L66 HydrophobicContact CE-CD2 3.65Å; M53-L66 HydrophobicContact CG-CD2 4.04Å; M53-L103 HydrophobicContact CE-CD2 3.85Å; M53-L103 HydrophobicContact SD-CD2 3.81Å; M53-F125 HydrophobicContact CE-CD1 4.41Å; M53-F125 HydrophobicContact CE-CD2 4.34Å; M53-F125 HydrophobicContact CE-CE1 4.48Å; M53-F125 HydrophobicContact CE-CE2 4.42Å; M53-F125 HydrophobicContact CE-CG 4.34Å; M53-L135 HydrophobicContact SD-CD1 3.97Å; M53-L135 HydrophobicContact SD-CD2 4.23Å
54S92.5Very high80.4Confident12 Ų1261.2 Ų61.28%0.08433%0.329CS..EExtended strand (participates in β ladder)trans-132.7153.5176.158.20000110.7I65S54-I65 PolarHBondContact N-O 3.5Å; S54-I65 PolarHBondContact O-N 3.05Å
55I90.4Very high82.2Confident40 Ų4057.4 Ų57.421%0.20530%0.301CS..EExtended strand (participates in β ladder)trans-108115.7173.2-63.5172.4000107.2L11 Y63 L64 I81 L138 L139L11-I55 WeakPolarHBondContact CD2-O 3.33Å; L11-I55 WeakPolarHBondContact CG-O 3.13Å; I55-Y63 CarbonylContact C-O 3.55Å; I55-Y63 WeakPolarHBondContact CA-O 3.46Å; I55-L64 HydrophobicContact CG1-CD1 3.89Å; I55-I81 HydrophobicContact CB-CD1 4.37Å; I55-I81 HydrophobicContact CD1-CD1 4.25Å; I55-I81 HydrophobicContact CG1-CD1 4.04Å; I55-I81 HydrophobicContact CG2-CD1 3.56Å; I55-L138 HydrophobicContact CD1-CB 3.85Å; I55-L139 HydrophobicContact CD1-CD2 4.25Å
56D88.5Confident83.9Confident38 Ų3855.7 Ų55.720%0.20330%0.295CS..EExtended strand (participates in β ladder)trans-106.5143.6177.4-164.216.7000110.2L11 N58 P62 Y63 I65L11-D56 HydrophobicContact CD2-CB 3.58Å; D56-N58 PolarHBondContact OD2-ND2 3.41Å; D56-N58 PolarHBondContact OD2-OD1 3.29Å; D56-P62 CarbonylContact O-C 3.57Å; D56-P62 WeakPolarHBondContact O-CA 3.47Å; D56-Y63 PolarHBondContact N-O 3.21Å; D56-Y63 PolarHBondContact O-N 3.3Å; D56-I65 HydrophobicContact CB-CD1 3.55Å; D56-I65 HydrophobicContact CB-CG1 4.34Å
57D82.7Confident85.7Confident92 Ų9252.6 Ų52.649%0.49228%0.277SS..EExtended strand (participates in β ladder)trans-111.8101.7176.3-174.24.1000108.2G60D57-G60 WeakPolarHBondContact OD1-CA 3.49Å; D57-G60 PolarHBondContact OD1-N 3.07Å
58N77.7Confident86.9Confident76 Ų7645.7 Ų45.741%0.40625%0.25SS..EExtended strand (participates in β ladder)trans-102.9106.3-178.8-79.1-49.7000109.2D56 G60 E61 Y63D56-N58 PolarHBondContact OD2-ND2 3.41Å; D56-N58 PolarHBondContact OD2-OD1 3.29Å; N58-G60 PolarHBondContact O-N 2.87Å; N58-E61 PolarHBondContact N-O 3.34Å; N58-E61 VanDerWaalsContact N-O 3.13Å; N58-E61 PolarHBondContact O-N 2.78Å; N58-Y63 HydrophobicContact CB-CD2 4.15Å; N58-Y63 HydrophobicContact CB-CE2 4.21Å
59D73.7Confident87Confident176 Ų17645.9 Ų45.994%0.94125%0.253SS*.THydrogen-bonded Turntrans53.436.2176.7-64.8-40.8000114.6
60G77.4Confident86.7Confident54 Ų5442.2 Ų42.256%0.55724%0.239SC*.THydrogen-bonded Turntrans88.52.2178.200000114.2D57 N58D57-G60 WeakPolarHBondContact OD1-CA 3.49Å; D57-G60 PolarHBondContact OD1-N 3.07Å; N58-G60 PolarHBondContact O-N 2.87Å
61E83.5Confident86.3Confident74 Ų7445.2 Ų45.235%0.34625%0.251SS..EExtended strand (participates in β ladder)trans-110.4110.3172.8-70.2-68165.400109.5N58 Y63 R80N58-E61 PolarHBondContact N-O 3.34Å; N58-E61 VanDerWaalsContact N-O 3.13Å; N58-E61 PolarHBondContact O-N 2.78Å; E61-Y63 HydrophobicContact CB-CE2 3.84Å; E61-Y63 WeakPolarHBondContact O-CD2 3.45Å; E61-Y63 VanDerWaalsContact O-CE2 3.26Å; E61-Y63 WeakPolarHBondContact O-CE2 3.2Å; E61-R80 IonicContact OE1-NH2 2.71Å; E61-R80 PolarHBondContact OE1-NH2 3.47Å; E61-R80 IonicContact OE2-CZ 3.02Å; E61-R80 IonicContact OE2-NE 3.23Å; E61-R80 PolarHBondContact OE2-NE 3.46Å; E61-R80 IonicContact OE2-NH2 2.65Å; E61-R80 PolarHBondContact OE2-NH2 2.66Å
62P90.2Very high85.6Confident27 Ų2747.9 Ų47.918%0.17528%0.282CS..EExtended strand (participates in β ladder)trans-79.5134.4-17829.9-32.6000111.4D56 I81 A142D56-P62 CarbonylContact O-C 3.57Å; D56-P62 WeakPolarHBondContact O-CA 3.47Å; P62-I81 HydrophobicContact CB-CB 4.42Å; P62-I81 HydrophobicContact CB-CD1 4.15Å; P62-I81 HydrophobicContact CG-CB 4.25Å; P62-I81 WeakPolarHBondContact O-CB 2.95Å; P62-I81 WeakPolarHBondContact O-CG1 3.43Å; P62-I81 PolarHBondContact O-N 2.96Å; P62-A142 HydrophobicContact CB-CB 4.2Å; P62-A142 HydrophobicContact CG-CB 4.31Å; P62-A142 WeakPolarHBondContact CG-O 3.22Å
63Y91.5Very high85.2Confident41 Ų4151.1 Ų51.116%0.16130%0.299CS..EExtended strand (participates in β ladder)trans-119.3138.2179.1-69.7-92.6000111.2I55 D56 N58 E61 F79 R80I55-Y63 CarbonylContact C-O 3.55Å; I55-Y63 WeakPolarHBondContact CA-O 3.46Å; D56-Y63 PolarHBondContact N-O 3.21Å; D56-Y63 PolarHBondContact O-N 3.3Å; N58-Y63 HydrophobicContact CB-CD2 4.15Å; N58-Y63 HydrophobicContact CB-CE2 4.21Å; E61-Y63 HydrophobicContact CB-CE2 3.84Å; E61-Y63 WeakPolarHBondContact O-CD2 3.45Å; E61-Y63 VanDerWaalsContact O-CE2 3.26Å; E61-Y63 WeakPolarHBondContact O-CE2 3.2Å; Y63-F79 CarbonylContact C-O 3.48Å; Y63-F79 VanDerWaalsContact CA-O 3.28Å; Y63-F79 WeakPolarHBondContact CA-O 3.19Å; Y63-R80 HydrophobicContact CD1-CB 4.09Å; Y63-R80 HydrophobicContact CE1-CB 3.75Å; Y63-R80 HydrophobicContact CE1-CG 4.03Å
64L93.1Very high84.8Confident0 Ų053.1 Ų53.10%032%0.316CS..EExtended strand (participates in β ladder)trans-89.2119.4165.1-17668.6000108.2M53 I55 R78 F79 I81 I84 F105 L139M53-L64 HydrophobicContact CE-CD1 4.47Å; M53-L64 HydrophobicContact CE-CD2 4.18Å; M53-L64 HydrophobicContact CG-CD1 3.46Å; M53-L64 VanDerWaalsContact CG-CD1 3.46Å; M53-L64 HydrophobicContact CG-CG 4.27Å; M53-L64 HydrophobicContact SD-CD1 3.82Å; M53-L64 HydrophobicContact SD-CD2 4.46Å; I55-L64 HydrophobicContact CG1-CD1 3.89Å; L64-R78 WeakPolarHBondContact O-CA 3.35Å; L64-F79 HydrophobicContact CB-CB 4.27Å; L64-F79 HydrophobicContact CD2-CD2 4.28Å; L64-F79 PolarHBondContact N-O 3.49Å; L64-F79 PolarHBondContact O-N 3.25Å; L64-I81 HydrophobicContact CB-CD1 4.34Å; L64-I81 HydrophobicContact CB-CG1 4.06Å; L64-I84 HydrophobicContact CB-CD1 4.02Å; L64-I84 HydrophobicContact CD2-CD1 3.89Å; L64-F105 HydrophobicContact CD2-CE1 3.94Å; L64-F105 HydrophobicContact CD2-CZ 4Å; L64-L139 HydrophobicContact CB-CD2 4.47Å; L64-L139 HydrophobicContact CD1-CD2 4.01Å; L64-L139 HydrophobicContact CD2-CD2 4.14Å; L64-L139 HydrophobicContact CG-CD2 4.45Å
65I92.6Very high84.6Confident23 Ų2356.7 Ų56.712%0.11833%0.332CS..EExtended strand (participates in β ladder)trans-112.9129.1-176.2-56.9-177.6000109.1M53 S54 D56 E75M53-I65 WeakPolarHBondContact CA-O 3.46Å; S54-I65 PolarHBondContact N-O 3.5Å; S54-I65 PolarHBondContact O-N 3.05Å; D56-I65 HydrophobicContact CB-CD1 3.55Å; D56-I65 HydrophobicContact CB-CG1 4.34Å; I65-E75 HydrophobicContact CG2-CG 3.73Å
66L92.8Very high84.5Confident3 Ų358.5 Ų58.52%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-103.5123.2168.4-62.3-179.8000108.9V16 F51 N52 M53 V76 E77 F79 F125V16-L66 HydrophobicContact CG2-CD2 4.36Å; F51-L66 HydrophobicContact CB-CD2 4.48Å; N52-L66 WeakPolarHBondContact O-CA 3.43Å; M53-L66 HydrophobicContact CB-CD2 3.91Å; M53-L66 HydrophobicContact CE-CD2 3.65Å; M53-L66 HydrophobicContact CG-CD2 4.04Å; L66-V76 PolarHBondContact O-N 2.85Å; L66-E77 HydrophobicContact CB-CB 4.13Å; L66-E77 HydrophobicContact CD1-CB 4.19Å; L66-E77 HydrophobicContact CG-CB 4.48Å; L66-E77 PolarHBondContact N-O 2.72Å; L66-E77 PolarHBondContact O-N 3.35Å; L66-F79 HydrophobicContact CD1-CE2 3.99Å; L66-F79 HydrophobicContact CG-CE2 4.47Å; L66-F125 HydrophobicContact CD1-CE1 3.89Å; L66-F125 HydrophobicContact CD1-CZ 3.72Å; L66-F125 HydrophobicContact CD2-CE1 4.37Å
67S91.4Very high84.5Confident14 Ų1459.8 Ų59.810%0.09835%0.349CS..EExtended strand (participates in β ladder)trans-119.9140.9177.753.70000111.1N52 P69 A74N52-S67 WeakPolarHBondContact CB-OG 3.37Å; N52-S67 PolarHBondContact N-O 2.67Å; N52-S67 PolarHBondContact O-N 3.44Å; N52-S67 PolarHBondContact O-OG 3.47Å; N52-S67 VanDerWaalsContact O-OG 3.11Å; S67-P69 WeakPolarHBondContact O-CD 3.49Å; S67-A74 CarbonylContact C-O 3.53Å; S67-A74 WeakPolarHBondContact CA-O 3.41Å
68D87.8Confident84.9Confident10 Ų1062.7 Ų62.75%0.05335%0.353CS..EExtended strand (participates in β ladder)trans-90.6111179.9-164.2-29.7000110.5F51 R70 N71 N73 A74 V76F51-D68 HydrophobicContact CD1-CB 4.34Å; F51-D68 HydrophobicContact CE1-CB 4.32Å; D68-R70 PolarHBondContact O-N 2.92Å; D68-R70 VanDerWaalsContact O-N 3.13Å; D68-R70 WeakPolarHBondContact OD1-CB 3.5Å; D68-R70 WeakPolarHBondContact OD1-CG 3.34Å; D68-R70 IonicContact OD1-CZ 3.64Å; D68-R70 PolarHBondContact OD1-N 3.14Å; D68-R70 IonicContact OD1-NE 2.74Å; D68-R70 PolarHBondContact OD1-NE 3.17Å; D68-R70 IonicContact OD1-NH2 2.81Å; D68-R70 IonicContact OD2-CZ 2.73Å; D68-R70 IonicContact OD2-NE 3.39Å; D68-R70 PolarHBondContact OD2-NE 3.27Å; D68-R70 VanDerWaalsContact OD2-NE 3.15Å; D68-R70 IonicContact OD2-NH2 3.39Å; D68-R70 PolarHBondContact OD2-NH2 2.99Å; D68-N71 PolarHBondContact O-N 3.27Å; D68-N73 WeakPolarHBondContact O-CA 3.38Å; D68-N73 PolarHBondContact O-N 3.11Å; D68-A74 PolarHBondContact N-O 2.74Å; D68-V76 HydrophobicContact CB-CG2 3.58Å
69P79Confident85.5Confident58 Ų5859.4 Ų59.438%0.37734%0.335SS..G310 helixtrans-61.9-20.6177.525.9-33.6000113.2S67 N73S67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-N73 WeakPolarHBondContact CA-OD1 3.49Å
70R73.9Confident86.3Confident55 Ų5553.6 Ų53.621%0.20830%0.3CS..G310 helixtrans-73.1-29.6179.8-59.2171-69.9-169.2-3.6112.9D68 S345D68-R70 PolarHBondContact O-N 2.92Å; D68-R70 VanDerWaalsContact O-N 3.13Å; D68-R70 WeakPolarHBondContact OD1-CB 3.5Å; D68-R70 WeakPolarHBondContact OD1-CG 3.34Å; D68-R70 IonicContact OD1-CZ 3.64Å; D68-R70 PolarHBondContact OD1-N 3.14Å; D68-R70 IonicContact OD1-NE 2.74Å; D68-R70 PolarHBondContact OD1-NE 3.17Å; D68-R70 IonicContact OD1-NH2 2.81Å; D68-R70 IonicContact OD2-CZ 2.73Å; D68-R70 IonicContact OD2-NE 3.39Å; D68-R70 PolarHBondContact OD2-NE 3.27Å; D68-R70 VanDerWaalsContact OD2-NE 3.15Å; D68-R70 IonicContact OD2-NH2 3.39Å; D68-R70 PolarHBondContact OD2-NH2 2.99Å; R70-S345 VanDerWaalsContact CD-O 3.32Å; R70-S345 WeakPolarHBondContact CD-O 3.44Å; R70-S345 PolarHBondContact NH1-O 3.48Å
71N78.7Confident86.9Confident118 Ų11851 Ų5163%0.63127%0.274SS*.G310 helixtrans-105.433.8-177.7-70.5-10.4000112.1D68 A74D68-N71 PolarHBondContact O-N 3.27Å; N71-A74 HydrophobicContact CB-CB 3.97Å; N71-A74 WeakPolarHBondContact O-CB 3.47Å; N71-A74 PolarHBondContact O-N 3.38Å
72G76.5Confident87.1Confident70 Ų7048.9 Ų48.972%0.72227%0.271SS*.THydrogen-bonded Turntrans71.234.8179.200000113.5A74G72-A74 PolarHBondContact O-N 3.21Å
73N82.3Confident87Confident91 Ų9152 Ų5249%0.48728%0.28SS..SBendtrans5932.7-172.5-60.2-46.5000113.1N52 D68 P69 E75N52-N73 PolarHBondContact ND2-OD1 3.01Å; D68-N73 WeakPolarHBondContact O-CA 3.38Å; D68-N73 PolarHBondContact O-N 3.11Å; P69-N73 WeakPolarHBondContact CA-OD1 3.49Å; N73-E75 PolarHBondContact O-N 3.42Å
74A85.1Confident87Confident44 Ų4450.1 Ų50.136%0.36427%0.272SS..EExtended strand (participates in β ladder)trans-59134.7171.400000110S67 D68 N71 G72 V76S67-A74 CarbonylContact C-O 3.53Å; S67-A74 WeakPolarHBondContact CA-O 3.41Å; D68-A74 PolarHBondContact N-O 2.74Å; N71-A74 HydrophobicContact CB-CB 3.97Å; N71-A74 WeakPolarHBondContact O-CB 3.47Å; N71-A74 PolarHBondContact O-N 3.38Å; G72-A74 PolarHBondContact O-N 3.21Å; A74-V76 PolarHBondContact O-N 3.36Å
75E88.2Confident86.6Confident87 Ų8750.4 Ų50.441%0.40727%0.274SS..EExtended strand (participates in β ladder)trans-64.9124.4176.3-169-174.2152.600110.6I65 N73 R78I65-E75 HydrophobicContact CG2-CG 3.73Å; N73-E75 PolarHBondContact O-N 3.42Å; E75-R78 WeakPolarHBondContact OE1-CB 3.37Å; E75-R78 IonicContact OE1-CZ 3.98Å; E75-R78 IonicContact OE1-NE 2.57Å; E75-R78 PolarHBondContact OE1-NE 2.96Å; E75-R78 IonicContact OE1-NH2 2.7Å; E75-R78 PolarHBondContact OE1-NH2 3.05Å; E75-R78 IonicContact OE2-CZ 3.19Å; E75-R78 IonicContact OE2-NE 2.8Å; E75-R78 IonicContact OE2-NH2 3.09Å; E75-R78 PolarHBondContact OE2-NH2 3.37Å
76V88.2Confident86.1Confident78 Ų7853.4 Ų53.447%0.47328%0.284SS..EExtended strand (participates in β ladder)trans-99-43.4179.3-179.20000110.5F51 L66 D68 A74F51-V76 HydrophobicContact CD1-CG2 4.25Å; F51-V76 HydrophobicContact CE1-CB 4.38Å; F51-V76 HydrophobicContact CE1-CG1 4.22Å; F51-V76 HydrophobicContact CE1-CG2 3.92Å; L66-V76 PolarHBondContact O-N 2.85Å; D68-V76 HydrophobicContact CB-CG2 3.58Å; A74-V76 PolarHBondContact O-N 3.36Å
77E89.2Confident85.8Confident65 Ų6553.3 Ų53.330%0.30428%0.284SS..EExtended strand (participates in β ladder)trans-149.9144.5-172.7-153.5163.1-165.800111.3L66 F79L66-E77 HydrophobicContact CB-CB 4.13Å; L66-E77 HydrophobicContact CD1-CB 4.19Å; L66-E77 HydrophobicContact CG-CB 4.48Å; L66-E77 PolarHBondContact N-O 2.72Å; L66-E77 PolarHBondContact O-N 3.35Å; E77-F79 HydrophobicContact CB-CE2 4.19Å; E77-F79 HydrophobicContact CB-CZ 4.44Å; E77-F79 HydrophobicContact CG-CD2 4.45Å; E77-F79 HydrophobicContact CG-CE1 4.09Å; E77-F79 HydrophobicContact CG-CE2 3.67Å; E77-F79 HydrophobicContact CG-CZ 3.49Å; E77-F79 VanDerWaalsContact CG-CZ 3.49Å; E77-F79 WeakPolarHBondContact OE1-CZ 3.4Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.31Å
78R89.8Confident85.2Confident152 Ų15258.5 Ų58.557%0.57430%0.301SS*.EExtended strand (participates in β ladder)trans-130.2130176.958.4-179.770.9166.9-4.8110.2L64 E75 M112L64-R78 WeakPolarHBondContact O-CA 3.35Å; E75-R78 WeakPolarHBondContact OE1-CB 3.37Å; E75-R78 IonicContact OE1-CZ 3.98Å; E75-R78 IonicContact OE1-NE 2.57Å; E75-R78 PolarHBondContact OE1-NE 2.96Å; E75-R78 IonicContact OE1-NH2 2.7Å; E75-R78 PolarHBondContact OE1-NH2 3.05Å; E75-R78 IonicContact OE2-CZ 3.19Å; E75-R78 IonicContact OE2-NE 2.8Å; E75-R78 IonicContact OE2-NH2 3.09Å; E75-R78 PolarHBondContact OE2-NH2 3.37Å; R78-M112 WeakPolarHBondContact O-CE 3.41Å
79F90.6Very high84.9Confident7 Ų762.6 Ų62.63%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-122.1129.2174.3-54.7-80.2000109.7Y63 L64 L66 E77 I81 I84 F105 I107 H123Y63-F79 CarbonylContact C-O 3.48Å; Y63-F79 VanDerWaalsContact CA-O 3.28Å; Y63-F79 WeakPolarHBondContact CA-O 3.19Å; L64-F79 HydrophobicContact CB-CB 4.27Å; L64-F79 HydrophobicContact CD2-CD2 4.28Å; L64-F79 PolarHBondContact N-O 3.49Å; L64-F79 PolarHBondContact O-N 3.25Å; L66-F79 HydrophobicContact CD1-CE2 3.99Å; L66-F79 HydrophobicContact CG-CE2 4.47Å; E77-F79 HydrophobicContact CB-CE2 4.19Å; E77-F79 HydrophobicContact CB-CZ 4.44Å; E77-F79 HydrophobicContact CG-CD2 4.45Å; E77-F79 HydrophobicContact CG-CE1 4.09Å; E77-F79 HydrophobicContact CG-CE2 3.67Å; E77-F79 HydrophobicContact CG-CZ 3.49Å; E77-F79 VanDerWaalsContact CG-CZ 3.49Å; E77-F79 WeakPolarHBondContact OE1-CZ 3.4Å; E77-F79 WeakPolarHBondContact OE2-CZ 3.31Å; F79-I81 PolarHBondContact O-N 3.11Å; F79-I84 HydrophobicContact CB-CD1 4.04Å; F79-I84 HydrophobicContact CB-CG1 4.21Å; F79-F105 HydrophobicContact CD2-CE2 4.41Å; F79-F105 HydrophobicContact CD2-CZ 4.22Å; F79-F105 HydrophobicContact CE1-CE2 4.49Å; F79-F105 HydrophobicContact CE2-CE2 4.31Å; F79-F105 HydrophobicContact CE2-CZ 4.01Å; F79-F105 HydrophobicContact CZ-CE2 4.31Å; F79-F105 HydrophobicContact CZ-CZ 4.36Å; F79-I107 HydrophobicContact CD1-CD1 3.84Å; F79-I107 HydrophobicContact CD1-CG1 3.84Å; F79-I107 HydrophobicContact CE1-CD1 4.4Å; F79-I107 HydrophobicContact CE1-CG1 3.91Å; F79-I107 HydrophobicContact CG-CD1 4.44Å; F79-H123 AromaticContact CE1-CE1 3.88Å; F79-H123 AromaticContact CE1-NE2 3.92Å; F79-H123 AromaticContact CZ-CE1 3.67Å
80R90.3Very high84.6Confident55 Ų5562.7 Ų62.721%0.20831%0.309CS..EExtended strand (participates in β ladder)trans-73121.1171.8-171.8172.1179172.2-1.7107.2E61 Y63 G82 R83 M112 D113E61-R80 IonicContact OE1-NH2 2.71Å; E61-R80 PolarHBondContact OE1-NH2 3.47Å; E61-R80 IonicContact OE2-CZ 3.02Å; E61-R80 IonicContact OE2-NE 3.23Å; E61-R80 PolarHBondContact OE2-NE 3.46Å; E61-R80 IonicContact OE2-NH2 2.65Å; E61-R80 PolarHBondContact OE2-NH2 2.66Å; Y63-R80 HydrophobicContact CD1-CB 4.09Å; Y63-R80 HydrophobicContact CE1-CB 3.75Å; Y63-R80 HydrophobicContact CE1-CG 4.03Å; R80-G82 PolarHBondContact O-N 3.39Å; R80-R83 HydrophobicContact CB-CG 4.23Å; R80-R83 WeakPolarHBondContact O-CB 3.26Å; R80-R83 PolarHBondContact O-N 3.45Å; R80-M112 HydrophobicContact CB-CE 4.25Å; R80-M112 HydrophobicContact CB-SD 4.31Å; R80-D113 IonicContact NH1-OD1 2.8Å; R80-D113 PolarHBondContact NH1-OD1 3.3Å; R80-D113 VanDerWaalsContact NH1-OD1 3.09Å
81I90Very high84.5Confident0 Ų064.2 Ų64.20%032%0.321CS..G310 helixtrans-61.8-35.7-169.2-69.2-174.1000111.4I55 P62 L64 F79 R83 I84 L139 A142 A144I55-I81 HydrophobicContact CB-CD1 4.37Å; I55-I81 HydrophobicContact CD1-CD1 4.25Å; I55-I81 HydrophobicContact CG1-CD1 4.04Å; I55-I81 HydrophobicContact CG2-CD1 3.56Å; P62-I81 HydrophobicContact CB-CB 4.42Å; P62-I81 HydrophobicContact CB-CD1 4.15Å; P62-I81 HydrophobicContact CG-CB 4.25Å; P62-I81 WeakPolarHBondContact O-CB 2.95Å; P62-I81 WeakPolarHBondContact O-CG1 3.43Å; P62-I81 PolarHBondContact O-N 2.96Å; L64-I81 HydrophobicContact CB-CD1 4.34Å; L64-I81 HydrophobicContact CB-CG1 4.06Å; F79-I81 PolarHBondContact O-N 3.11Å; I81-R83 PolarHBondContact O-N 2.91Å; I81-I84 HydrophobicContact CB-CD1 4.49Å; I81-I84 HydrophobicContact CG1-CD1 4.15Å; I81-I84 WeakPolarHBondContact O-CB 3.45Å; I81-I84 PolarHBondContact O-N 3.34Å; I81-L139 HydrophobicContact CD1-CD2 4.02Å; I81-L139 HydrophobicContact CG1-CD2 4.32Å; I81-L139 WeakPolarHBondContact CG2-O 3.45Å; I81-A142 HydrophobicContact CD1-CB 3.76Å; I81-A142 HydrophobicContact CG2-CB 3.86Å; I81-A142 WeakPolarHBondContact CG2-O 3.38Å; I81-A144 HydrophobicContact CG2-CB 3.97Å; I81-A144 WeakPolarHBondContact O-CA 3.29Å
82G88.3Confident83.8Confident28 Ų2859 Ų5929%0.28929%0.293SS..G310 helixtrans-62.2-6.7173.800000115.9R80 G143R80-G82 PolarHBondContact O-N 3.39Å; G82-G143 WeakPolarHBondContact CA-O 3.46Å
83R88.8Confident82.9Confident94 Ų9458.7 Ų58.736%0.35528%0.278SS..G310 helixtrans-108.6-4.1175.2-57.9-59.2-170.9-168.3-0.7113.2R80 I81 L85 S111 M112R80-R83 HydrophobicContact CB-CG 4.23Å; R80-R83 WeakPolarHBondContact O-CB 3.26Å; R80-R83 PolarHBondContact O-N 3.45Å; I81-R83 PolarHBondContact O-N 2.91Å; R83-L85 PolarHBondContact O-N 3.33Å; R83-S111 WeakPolarHBondContact CD-O 3.35Å; R83-S111 WeakPolarHBondContact CG-O 3.36Å; R83-S111 PolarHBondContact NE-O 3.05Å; R83-M112 HydrophobicContact CB-SD 4.25Å
84I90.1Very high81.6Confident0 Ų056.3 Ų56.30%027%0.268CS..EExtended strand (participates in β ladder)trans-78120.3176.1-61180000108.4L64 F79 I81 F105 I107 L139 A144 L145L64-I84 HydrophobicContact CB-CD1 4.02Å; L64-I84 HydrophobicContact CD2-CD1 3.89Å; F79-I84 HydrophobicContact CB-CD1 4.04Å; F79-I84 HydrophobicContact CB-CG1 4.21Å; I81-I84 HydrophobicContact CB-CD1 4.49Å; I81-I84 HydrophobicContact CG1-CD1 4.15Å; I81-I84 WeakPolarHBondContact O-CB 3.45Å; I81-I84 PolarHBondContact O-N 3.34Å; I84-F105 HydrophobicContact CG2-CB 3.55Å; I84-F105 HydrophobicContact CG2-CD2 3.85Å; I84-F105 HydrophobicContact CG2-CG 3.82Å; I84-I107 HydrophobicContact CB-CD1 4.38Å; I84-I107 HydrophobicContact CG1-CD1 3.83Å; I84-L139 HydrophobicContact CD1-CD2 4.09Å; I84-A144 HydrophobicContact CB-CB 4.12Å; I84-A144 HydrophobicContact CG2-CB 4.29Å; I84-L145 PolarHBondContact O-N 3.01Å
85L85Confident80.2Confident7 Ų760.9 Ų60.94%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-101.7147177.4-55.5-176.5000110.8R83 T106 K108 L145 D148R83-L85 PolarHBondContact O-N 3.33Å; L85-T106 HydrophobicContact CB-CG2 4.28Å; L85-T106 PolarHBondContact N-O 3.49Å; L85-T106 PolarHBondContact O-N 2.92Å; L85-K108 HydrophobicContact CD1-CD 3.85Å; L85-K108 HydrophobicContact CD1-CG 3.74Å; L85-L145 HydrophobicContact CD2-CB 3.77Å; L85-L145 HydrophobicContact CD2-CD1 3.63Å; L85-L145 HydrophobicContact CD2-CG 4.23Å; L85-D148 HydrophobicContact CD1-CB 4.48Å
86Y81.8Confident78.8Confident85 Ų8561.6 Ų61.633%0.33330%0.296SS..EExtended strand (participates in β ladder)trans50.250.9169.5-45.5-59.4000114.6R88 T106 L145 D146 D148Y86-R88 PolarHBondContact O-N 3.01Å; Y86-T106 HydrophobicContact CD2-CG2 4.5Å; Y86-L145 PolarHBondContact N-O 3.36Å; Y86-D146 WeakPolarHBondContact CD1-O 3.36Å; Y86-D148 WeakPolarHBondContact OH-CB 3.36Å
87P86Confident77.4Confident2 Ų258 Ų581%0.01328%0.275CS..EExtended strand (participates in β ladder)trans-62.8116171.129.6-34.6000108.9T104 V136 L139 L140 A144P87-T104 CarbonylContact C-O 3.6Å; P87-T104 WeakPolarHBondContact CA-O 3.33Å; P87-V136 HydrophobicContact CB-CG1 4.27Å; P87-V136 WeakPolarHBondContact O-CG1 3.43Å; P87-L139 HydrophobicContact CB-CB 4.35Å; P87-L139 HydrophobicContact CB-CD1 4.08Å; P87-L140 HydrophobicContact CG-CD2 3.61Å; P87-L140 HydrophobicContact CG-CG 3.93Å; P87-A144 HydrophobicContact CG-CB 3.94Å
88R79.6Confident76.3Confident123 Ų12358 Ų5846%0.46428%0.28SS..EExtended strand (participates in β ladder)trans-124.8148178.8-59.7-61.8-179.8-168.2-4.2109.5Y86 T104 V136Y86-R88 PolarHBondContact O-N 3.01Å; R88-T104 PolarHBondContact N-O 2.47Å; R88-T104 PolarHBondContact O-N 2.84Å; R88-V136 VanDerWaalsContact C-CG2 3.5Å
89Y82.3Confident75.2Confident96 Ų9651 Ų5138%0.37625%0.254SS..EExtended strand (participates in β ladder)trans-114.3149.9169.268.8-84.6000108.7I91 L102 Q133 V136Y89-I91 HydrophobicContact CD2-CD1 4.16Å; Y89-I91 HydrophobicContact CD2-CG1 4.17Å; Y89-I91 HydrophobicContact CE2-CD1 4.22Å; Y89-L102 CarbonylContact C-O 3.56Å; Y89-L102 WeakPolarHBondContact CA-O 3.49Å; Y89-Q133 HydrophobicContact CD1-CB 3.94Å; Y89-Q133 HydrophobicContact CD1-CG 4.05Å; Y89-Q133 HydrophobicContact CD2-CB 3.83Å; Y89-Q133 HydrophobicContact CD2-CG 4.48Å; Y89-Q133 HydrophobicContact CE1-CB 3.95Å; Y89-Q133 HydrophobicContact CE1-CG 3.61Å; Y89-Q133 HydrophobicContact CE2-CB 3.84Å; Y89-Q133 HydrophobicContact CE2-CG 4.09Å; Y89-Q133 HydrophobicContact CG-CB 3.88Å; Y89-Q133 HydrophobicContact CG-CG 4.46Å; Y89-Q133 PolarHBondContact OH-NE2 2.93Å; Y89-V136 HydrophobicContact CD1-CB 4.15Å; Y89-V136 HydrophobicContact CD1-CG1 4.26Å; Y89-V136 HydrophobicContact CD1-CG2 4.15Å; Y89-V136 HydrophobicContact CG-CG2 4.46Å
90R73Confident74.6Confident59 Ų5952 Ų5222%0.22326%0.26CS..EExtended strand (participates in β ladder)trans-134.5121.7170.9-176.8-178.2174.31565.6108.7Q34 T92 N101 L102Q34-R90 VanDerWaalsContact CD-NH1 3.3Å; R90-T92 WeakPolarHBondContact CD-OG1 3.44Å; R90-T92 WeakPolarHBondContact CG-OG1 2.93Å; R90-T92 PolarHBondContact NE-OG1 3.11Å; R90-N101 PolarHBondContact O-N 3.41Å; R90-L102 HydrophobicContact CB-CB 4.18Å; R90-L102 PolarHBondContact N-O 2.83Å; R90-L102 PolarHBondContact O-N 3.44Å
91I70.7Confident74.3Confident88 Ų8850.9 Ų50.945%0.45126%0.258SS..  trans-107.8109.6170-61.9167.8000104.2Y89 N100Y89-I91 HydrophobicContact CD2-CD1 4.16Å; Y89-I91 HydrophobicContact CD2-CG1 4.17Å; Y89-I91 HydrophobicContact CE2-CD1 4.22Å; I91-N100 WeakPolarHBondContact CA-OD1 3.36Å; I91-N100 WeakPolarHBondContact CG2-OD1 3.35Å
92T64.7Low74.2Confident7 Ų750.9 Ų50.94%0.04326%0.258CS..  trans-108.2132.2178.5-45.90000107.4R90 V96 C97 N100R90-T92 WeakPolarHBondContact CD-OG1 3.44Å; R90-T92 WeakPolarHBondContact CG-OG1 2.93Å; R90-T92 PolarHBondContact NE-OG1 3.11Å; T92-V96 HydrophobicContact CG2-CB 3.79Å; T92-V96 HydrophobicContact CG2-CG1 3.93Å; T92-C97 HydrophobicContact CG2-CB 3.61Å; T92-N100 PolarHBondContact N-OD1 3.41Å; T92-N100 VanDerWaalsContact N-OD1 3.12Å; T92-N100 PolarHBondContact O-ND2 2.74Å; T92-N100 PolarHBondContact O-OD1 2.92Å; T92-N100 VanDerWaalsContact O-OD1 3.05Å
93P56.2Low74.3Confident64 Ų6449.6 Ų49.642%0.41625%0.245SC..  trans-52134.4167.7-27.337.3000110.3D95 V96 C97P93-D95 VanDerWaalsContact C-OD1 3.28Å; P93-D95 WeakPolarHBondContact CB-OD1 3.26Å; P93-D95 PolarHBondContact O-N 3.05Å; P93-D95 VanDerWaalsContact O-N 3.15Å; P93-V96 HydrophobicContact CB-CG2 4.46Å; P93-V96 PolarHBondContact O-N 2.7Å; P93-C97 PolarHBondContact O-N 2.96Å
94P56.5Low74.4Confident42 Ų4245.2 Ų45.227%0.27323%0.229SC..THydrogen-bonded Turntrans-67.5-13.6-172.220.3-27.1000114.2V96 Y193P94-V96 VanDerWaalsContact C-N 3.28Å; P94-Y193 HydrophobicContact CG-CE2 3.91Å; P94-Y193 WeakPolarHBondContact CG-OH 3.48Å
95D55.6Low74.4Confident139 Ų13945.2 Ų45.274%0.74323%0.229SC*.THydrogen-bonded Turntrans-70.5-22.1168.957.7-47.8000113.1P93P93-D95 VanDerWaalsContact C-OD1 3.28Å; P93-D95 WeakPolarHBondContact CB-OD1 3.26Å; P93-D95 PolarHBondContact O-N 3.05Å; P93-D95 VanDerWaalsContact O-N 3.15Å
96V59.1Low74.4Confident102 Ų10245.5 Ų45.562%0.61823%0.23SC*.THydrogen-bonded Turntrans-100.6-34.8-177.6-179.50000112.3T92 P93 P94T92-V96 HydrophobicContact CG2-CB 3.79Å; T92-V96 HydrophobicContact CG2-CG1 3.93Å; P93-V96 HydrophobicContact CB-CG2 4.46Å; P93-V96 PolarHBondContact O-N 2.7Å; P94-V96 VanDerWaalsContact C-N 3.28Å
97C58.7Low74.8Confident3 Ų341.4 Ų41.42%0.0222%0.215CC..  trans-149.9131.2-177.4-166.10000110.6T92 P93 V99T92-C97 HydrophobicContact CG2-CB 3.61Å; P93-C97 PolarHBondContact O-N 2.96Å; C97-V99 PolarHBondContact O-N 3.12Å; C97-V99 WeakPolarHBondContact SG-CG2 3.33Å
98P64.6Low74.7Confident65 Ų6544.2 Ų44.242%0.42223%0.227SC..SBendtrans-61.7-32.7179.925.2-34000111.4L41 N100L41-P98 HydrophobicContact CD2-CG 3.76Å; P98-N100 PolarHBondContact O-N 3.3Å
99V67.9Low74.9Confident4 Ų439.7 Ų39.72%0.02422%0.215CC..  trans-82.8120.6173.2-70.40000112.1L19 L41 Y45 C97 L102L19-V99 HydrophobicContact CD1-CG1 4.38Å; L41-V99 HydrophobicContact CD2-CG2 4.5Å; Y45-V99 HydrophobicContact CD1-CG1 4.46Å; Y45-V99 HydrophobicContact CE1-CG1 3.58Å; Y45-V99 HydrophobicContact CE2-CG1 3.93Å; Y45-V99 WeakPolarHBondContact OH-CG1 3.39Å; Y45-V99 WeakPolarHBondContact OH-CG2 3.42Å; C97-V99 PolarHBondContact O-N 3.12Å; C97-V99 WeakPolarHBondContact SG-CG2 3.33Å; V99-L102 HydrophobicContact CB-CD1 4.29Å; V99-L102 HydrophobicContact CB-CD2 3.84Å; V99-L102 HydrophobicContact CB-CG 4.26Å; V99-L102 HydrophobicContact CG2-CD1 3.76Å; V99-L102 HydrophobicContact CG2-CD2 4.17Å; V99-L102 HydrophobicContact CG2-CG 4.27Å
100N77Confident74.9Confident30 Ų3037.2 Ų37.216%0.1622%0.219CC..  trans-118.3165.2172.2-166.36000109.9I91 T92 P98 L102 Q126I91-N100 WeakPolarHBondContact CA-OD1 3.36Å; I91-N100 WeakPolarHBondContact CG2-OD1 3.35Å; T92-N100 PolarHBondContact N-OD1 3.41Å; T92-N100 VanDerWaalsContact N-OD1 3.12Å; T92-N100 PolarHBondContact O-ND2 2.74Å; T92-N100 PolarHBondContact O-OD1 2.92Å; T92-N100 VanDerWaalsContact O-OD1 3.05Å; P98-N100 PolarHBondContact O-N 3.3Å; N100-L102 PolarHBondContact O-N 3.21Å; N100-Q126 WeakPolarHBondContact O-CG 3.45Å
101N85.1Confident75.4Confident30 Ų3035.7 Ų35.716%0.1622%0.217CC..SBendtrans57.747.1173.9-155.531.3000112.9R90 V127 C130 P131 A132R90-N101 PolarHBondContact O-N 3.41Å; N101-V127 PolarHBondContact ND2-O 3.31Å; N101-V127 PolarHBondContact O-N 3.38Å; N101-C130 PolarHBondContact ND2-O 3.02Å; N101-P131 WeakPolarHBondContact OD1-CA 3.11Å; N101-A132 WeakPolarHBondContact OD1-CB 3.35Å; N101-A132 PolarHBondContact OD1-N 3.21Å
102L88.4Confident75.8Confident1 Ų132.6 Ų32.61%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-81.2137.6-176.1-66.6-179.7000111.6L19 V37 Y89 R90 V99 N100 F125 Q126 A132L19-L102 HydrophobicContact CD1-CD2 3.25Å; V37-L102 HydrophobicContact CG1-CD1 4.46Å; V37-L102 HydrophobicContact CG2-CD1 3.81Å; Y89-L102 CarbonylContact C-O 3.56Å; Y89-L102 WeakPolarHBondContact CA-O 3.49Å; R90-L102 HydrophobicContact CB-CB 4.18Å; R90-L102 PolarHBondContact N-O 2.83Å; R90-L102 PolarHBondContact O-N 3.44Å; V99-L102 HydrophobicContact CB-CD1 4.29Å; V99-L102 HydrophobicContact CB-CD2 3.84Å; V99-L102 HydrophobicContact CB-CG 4.26Å; V99-L102 HydrophobicContact CG2-CD1 3.76Å; V99-L102 HydrophobicContact CG2-CD2 4.17Å; V99-L102 HydrophobicContact CG2-CG 4.27Å; N100-L102 PolarHBondContact O-N 3.21Å; L102-F125 CarbonylContact C-O 3.52Å; L102-F125 VanDerWaalsContact CA-O 3.3Å; L102-F125 WeakPolarHBondContact CA-O 3.13Å; L102-Q126 HydrophobicContact CD2-CB 4.41Å; L102-A132 VanDerWaalsContact O-CB 3.25Å; L102-A132 WeakPolarHBondContact O-CB 3.48Å
103L90.3Very high76.3Confident0 Ų037.2 Ų37.20%023%0.226CC..EExtended strand (participates in β ladder)trans-112.8126.8165.9168.467.5000108.2M53 F125 V127 A132 L135 V136 L139M53-L103 HydrophobicContact CE-CD2 3.85Å; M53-L103 HydrophobicContact SD-CD2 3.81Å; L103-F125 HydrophobicContact CB-CB 4.29Å; L103-F125 PolarHBondContact N-O 3.47Å; L103-F125 PolarHBondContact O-N 3.09Å; L103-V127 HydrophobicContact CB-CG2 3.65Å; L103-V127 HydrophobicContact CD2-CG2 4.4Å; L103-A132 HydrophobicContact CB-CB 4.32Å; L103-L135 HydrophobicContact CD2-CB 4.23Å; L103-L135 HydrophobicContact CD2-CD1 4.04Å; L103-V136 HydrophobicContact CD1-CG2 3.53Å; L103-L139 HydrophobicContact CD1-CD1 4.18Å
104T89.7Confident77.2Confident3 Ų339.4 Ų39.42%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-128.2141.7174.468.60000111.1T33 P87 R88 H123 L124T33-T104 HydrophobicContact CG2-CG2 3.89Å; T33-T104 WeakPolarHBondContact CG2-OG1 3.35Å; P87-T104 CarbonylContact C-O 3.6Å; P87-T104 WeakPolarHBondContact CA-O 3.33Å; R88-T104 PolarHBondContact N-O 2.47Å; R88-T104 PolarHBondContact O-N 2.84Å; T104-H123 VanDerWaalsContact CA-O 3.23Å; T104-H123 WeakPolarHBondContact CA-O 3.29Å; T104-L124 HydrophobicContact CG2-CB 4.39Å; T104-L124 HydrophobicContact CG2-CD2 4.1Å; T104-L124 HydrophobicContact CG2-CG 3.81Å
105F90.2Very high78Confident0 Ų039.4 Ų39.40%024%0.242CC..EExtended strand (participates in β ladder)trans-150.4161.9170.863.1-98.1000111.4L64 F79 I84 I107 I122 H123 F125L64-F105 HydrophobicContact CD2-CE1 3.94Å; L64-F105 HydrophobicContact CD2-CZ 4Å; F79-F105 HydrophobicContact CD2-CE2 4.41Å; F79-F105 HydrophobicContact CD2-CZ 4.22Å; F79-F105 HydrophobicContact CE1-CE2 4.49Å; F79-F105 HydrophobicContact CE2-CE2 4.31Å; F79-F105 HydrophobicContact CE2-CZ 4.01Å; F79-F105 HydrophobicContact CZ-CE2 4.31Å; F79-F105 HydrophobicContact CZ-CZ 4.36Å; I84-F105 HydrophobicContact CG2-CB 3.55Å; I84-F105 HydrophobicContact CG2-CD2 3.85Å; I84-F105 HydrophobicContact CG2-CG 3.82Å; F105-I107 HydrophobicContact CD2-CD1 4.02Å; F105-I107 HydrophobicContact CD2-CG1 4.22Å; F105-I107 HydrophobicContact CE2-CD1 4.04Å; F105-I107 HydrophobicContact CE2-CG1 4.06Å; F105-I122 WeakPolarHBondContact O-CA 3.42Å; F105-H123 HydrophobicContact CD2-CB 4.37Å; F105-H123 AromaticContact CD2-CD2 3.86Å; F105-H123 HydrophobicContact CE1-CB 4.25Å; F105-H123 HydrophobicContact CE2-CB 3.96Å; F105-H123 AromaticContact CE2-CD2 3.43Å; F105-H123 VanDerWaalsContact CE2-CD2 3.43Å; F105-H123 WeakPolarHBondContact CE2-CD2 3.38Å; F105-H123 AromaticContact CE2-CG 3.74Å; F105-H123 HydrophobicContact CZ-CB 3.89Å; F105-H123 AromaticContact CZ-CG 4Å; F105-H123 PolarHBondContact N-O 2.96Å; F105-H123 VanDerWaalsContact N-O 3.15Å; F105-H123 PolarHBondContact O-N 3.42Å; F105-F125 HydrophobicContact CD1-CD2 4.49Å; F105-F125 HydrophobicContact CD1-CE2 4.32Å; F105-F125 AromaticContact CE1-CD2 3.84Å; F105-F125 HydrophobicContact CE1-CD2 3.84Å; F105-F125 AromaticContact CE1-CE2 3.35Å; F105-F125 HydrophobicContact CE1-CE2 3.35Å; F105-F125 HydrophobicContact CE1-CZ 4.34Å; F105-F125 AromaticContact CZ-CE2 3.63Å; F105-F125 HydrophobicContact CZ-CE2 3.63Å; F105-F125 HydrophobicContact CZ-CZ 4.33Å
106T86.2Confident79.2Confident12 Ų1240.8 Ų40.87%0.07424%0.236CC..EExtended strand (participates in β ladder)trans-116.7138.9-175.6-71.80000111.4L30 L85 Y86 E121L30-T106 HydrophobicContact CD1-CG2 3.23Å; L85-T106 HydrophobicContact CB-CG2 4.28Å; L85-T106 PolarHBondContact N-O 3.49Å; L85-T106 PolarHBondContact O-N 2.92Å; Y86-T106 HydrophobicContact CD2-CG2 4.5Å; T106-E121 CarbonylContact C-O 3.52Å; T106-E121 VanDerWaalsContact CA-O 3.22Å; T106-E121 WeakPolarHBondContact CA-O 3.42Å
107I89.4Confident80.1Confident0 Ų036.6 Ų36.60%021%0.211CC..EExtended strand (participates in β ladder)trans-117.8133.2169.6-53.6-60000108.7F79 I84 F105 M112 P117 E121F79-I107 HydrophobicContact CD1-CD1 3.84Å; F79-I107 HydrophobicContact CD1-CG1 3.84Å; F79-I107 HydrophobicContact CE1-CD1 4.4Å; F79-I107 HydrophobicContact CE1-CG1 3.91Å; F79-I107 HydrophobicContact CG-CD1 4.44Å; I84-I107 HydrophobicContact CB-CD1 4.38Å; I84-I107 HydrophobicContact CG1-CD1 3.83Å; F105-I107 HydrophobicContact CD2-CD1 4.02Å; F105-I107 HydrophobicContact CD2-CG1 4.22Å; F105-I107 HydrophobicContact CE2-CD1 4.04Å; F105-I107 HydrophobicContact CE2-CG1 4.06Å; I107-M112 HydrophobicContact CG2-CG 4.41Å; I107-P117 HydrophobicContact CB-CG 4.22Å; I107-P117 HydrophobicContact CG2-CG 3.64Å; I107-E121 PolarHBondContact N-O 3.38Å; I107-E121 PolarHBondContact O-N 2.81Å
108K84.5Confident81.2Confident61 Ų6146.9 Ų46.927%0.26525%0.25SC..  trans-81.2150.9176.4-90.3-175.6171.2-174.90111.8L85 G110 S111 D148L85-K108 HydrophobicContact CD1-CD 3.85Å; L85-K108 HydrophobicContact CD1-CG 3.74Å; K108-G110 PolarHBondContact O-N 2.89Å; K108-S111 PolarHBondContact O-N 3.34Å; K108-S111 PolarHBondContact O-OG 3.39Å; K108-D148 VanDerWaalsContact CE-CG 3.5Å; K108-D148 WeakPolarHBondContact CE-OD1 3.47Å; K108-D148 WeakPolarHBondContact CE-OD2 3.46Å; K108-D148 IonicContact NZ-OD1 3.84Å; K108-D148 PolarHBondContact NZ-OD1 2.95Å; K108-D148 IonicContact NZ-OD2 2.95Å; K108-D148 PolarHBondContact NZ-OD2 3.46Å
109A83.3Confident82Confident28 Ų2849.6 Ų49.623%0.23125%0.252CS..THydrogen-bonded Turntrans-56.9129.4169.900000110.6P26 S111 P117 R119 N120P26-A109 HydrophobicContact CB-CB 3.82Å; P26-A109 HydrophobicContact CG-CB 3.62Å; A109-S111 VanDerWaalsContact C-N 3.26Å; A109-S111 PolarHBondContact O-N 3.44Å; A109-P117 CarbonylContact C-O 3.56Å; A109-P117 VanDerWaalsContact CA-O 3.24Å; A109-P117 WeakPolarHBondContact CA-O 3.12Å; A109-R119 WeakPolarHBondContact CA-O 3.49Å; A109-R119 PolarHBondContact N-O 3.3Å; A109-N120 WeakPolarHBondContact CB-OD1 3.43Å; A109-N120 PolarHBondContact N-OD1 3.39Å
110G82.4Confident82.5Confident44 Ų4450.3 Ų50.345%0.45426%0.255SS..THydrogen-bonded Turntrans73.56.7176.300000115.6K108 P117K108-G110 PolarHBondContact O-N 2.89Å; G110-P117 PolarHBondContact N-O 3.24Å
111S83.6Confident83.1Confident26 Ų2650 Ų5018%0.18225%0.253CS..  trans-79.7-15.3-173.967.50000114.8R83 K108 A109R83-S111 WeakPolarHBondContact CD-O 3.35Å; R83-S111 WeakPolarHBondContact CG-O 3.36Å; R83-S111 PolarHBondContact NE-O 3.05Å; K108-S111 PolarHBondContact O-N 3.34Å; K108-S111 PolarHBondContact O-OG 3.39Å; A109-S111 VanDerWaalsContact C-N 3.26Å; A109-S111 PolarHBondContact O-N 3.44Å
112M79.5Confident83.2Confident23 Ų2348.8 Ų48.811%0.11325%0.246CC..SBendtrans-89.9162.3179.3-60.1-70-63.700112.2R78 R80 R83 I107 N114 G115 R116R78-M112 WeakPolarHBondContact O-CE 3.41Å; R80-M112 HydrophobicContact CB-CE 4.25Å; R80-M112 HydrophobicContact CB-SD 4.31Å; R83-M112 HydrophobicContact CB-SD 4.25Å; I107-M112 HydrophobicContact CG2-CG 4.41Å; M112-N114 PolarHBondContact O-N 3.06Å; M112-G115 PolarHBondContact O-N 3.11Å; M112-R116 WeakPolarHBondContact CB-O 3.48Å; M112-R116 WeakPolarHBondContact CG-O 3.46Å; M112-R116 PolarHBondContact N-O 2.95Å; M112-R116 VanDerWaalsContact N-O 3.07Å
113D73.5Confident83.3Confident105 Ų10548.8 Ų48.856%0.56125%0.246SC*.THydrogen-bonded Turntrans-59.2-18.8-170.6-51.3-51.4000114.6R80R80-D113 IonicContact NH1-OD1 2.8Å; R80-D113 PolarHBondContact NH1-OD1 3.3Å; R80-D113 VanDerWaalsContact NH1-OD1 3.09Å
114N75.9Confident83.3Confident110 Ų11048.8 Ų48.859%0.58825%0.246SC*.THydrogen-bonded Turntrans-103.911.5178.161.34.6000113.8M112 R116M112-N114 PolarHBondContact O-N 3.06Å; N114-R116 PolarHBondContact O-N 2.89Å; N114-R116 WeakPolarHBondContact OD1-CB 3.31Å; N114-R116 WeakPolarHBondContact OD1-CG 3.43Å; N114-R116 PolarHBondContact OD1-N 3.46Å
115G74.2Confident83.4Confident42 Ų4248.6 Ų48.643%0.43325%0.245SC..SBendtrans68.818.2-175.500000114M112M112-G115 PolarHBondContact O-N 3.11Å
116R79.2Confident83.3Confident168 Ų16850.1 Ų50.163%0.63425%0.252SS*.  trans-99.6167.7170.5-59.2-173.8179.6-176-0.7110.4M112 N114M112-R116 WeakPolarHBondContact CB-O 3.48Å; M112-R116 WeakPolarHBondContact CG-O 3.46Å; M112-R116 PolarHBondContact N-O 2.95Å; M112-R116 VanDerWaalsContact N-O 3.07Å; N114-R116 PolarHBondContact O-N 2.89Å; N114-R116 WeakPolarHBondContact OD1-CB 3.31Å; N114-R116 WeakPolarHBondContact OD1-CG 3.43Å; N114-R116 PolarHBondContact OD1-N 3.46Å
117P78.6Confident83.3Confident14 Ų1449.8 Ų49.89%0.09125%0.25CC..  cis-58.7159.7-20.726.7-33.6000112I107 A109 G110 R119 E121I107-P117 HydrophobicContact CB-CG 4.22Å; I107-P117 HydrophobicContact CG2-CG 3.64Å; A109-P117 CarbonylContact C-O 3.56Å; A109-P117 VanDerWaalsContact CA-O 3.24Å; A109-P117 WeakPolarHBondContact CA-O 3.12Å; G110-P117 PolarHBondContact N-O 3.24Å; P117-R119 WeakPolarHBondContact CB-O 3.36Å; P117-R119 VanDerWaalsContact CG-O 3.27Å; P117-R119 WeakPolarHBondContact CG-O 3.44Å; P117-R119 PolarHBondContact O-N 2.98Å; P117-E121 HydrophobicContact CB-CG 3.86Å; P117-E121 WeakPolarHBondContact CB-OE1 3.34Å; P117-E121 HydrophobicContact CG-CG 3.9Å
118R81.2Confident83.2Confident218 Ų21853 Ų5382%0.82327%0.267SS*.SBendtrans-77.2-10.6177.3-71.8-175.8175.4-179.9-1.2112.9P26P26-R118 WeakPolarHBondContact CG-O 3.48Å
119R82.2Confident83.1Confident123 Ų12352.4 Ų52.446%0.46427%0.268SS..SBendtrans-129.4159.9-175.2-75.7-179-177.8158.5-4.1108.3E23 V24 A109 P117E23-R119 HydrophobicContact CB-CB 4.17Å; E23-R119 WeakPolarHBondContact OE2-CD 3.37Å; E23-R119 IonicContact OE2-CZ 3.18Å; E23-R119 IonicContact OE2-NH1 3.97Å; E23-R119 PolarHBondContact OE2-NH1 3.11Å; V24-R119 CarbonylContact O-C 3.52Å; V24-R119 WeakPolarHBondContact O-CA 3.18Å; V24-R119 VanDerWaalsContact O-CB 3.22Å; V24-R119 WeakPolarHBondContact O-CB 3.16Å; A109-R119 WeakPolarHBondContact CA-O 3.49Å; A109-R119 PolarHBondContact N-O 3.3Å; P117-R119 WeakPolarHBondContact CB-O 3.36Å; P117-R119 VanDerWaalsContact CG-O 3.27Å; P117-R119 WeakPolarHBondContact CG-O 3.44Å; P117-R119 PolarHBondContact O-N 2.98Å
120N78.4Confident83.1Confident19 Ų1952.1 Ų52.110%0.10227%0.265CS..EExtended strand (participates in β ladder)trans-73.5133.8168.3-65-30.6000107.2E23 V24 T25 P26 N28 L30 A109E23-N120 CarbonylContact C-O 3.46Å; E23-N120 WeakPolarHBondContact CA-O 3.49Å; V24-N120 PolarHBondContact N-O 3.48Å; V24-N120 PolarHBondContact O-N 2.93Å; T25-N120 PolarHBondContact O-ND2 2.69Å; P26-N120 WeakPolarHBondContact CA-ND2 3.2Å; P26-N120 PolarHBondContact O-ND2 2.73Å; P26-N120 VanDerWaalsContact O-ND2 3.14Å; N28-N120 PolarHBondContact O-ND2 3.3Å; L30-N120 HydrophobicContact CD1-CB 3.62Å; L30-N120 HydrophobicContact CD2-CB 4.16Å; L30-N120 HydrophobicContact CG-CB 3.69Å; A109-N120 WeakPolarHBondContact CB-OD1 3.43Å; A109-N120 PolarHBondContact N-OD1 3.39Å
121E88.8Confident83.1Confident24 Ų2453.1 Ų53.111%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-125.6138-174.2-58.7-173.3174.100110.3T21 F22 E23 T106 I107 P117 H123T21-E121 HydrophobicContact CG2-CB 3.88Å; T21-E121 HydrophobicContact CG2-CG 4.31Å; F22-E121 CarbonylContact O-C 3.6Å; F22-E121 VanDerWaalsContact O-CA 3.31Å; F22-E121 WeakPolarHBondContact O-CA 3.2Å; E23-E121 HydrophobicContact CG-CG 4.13Å; T106-E121 CarbonylContact C-O 3.52Å; T106-E121 VanDerWaalsContact CA-O 3.22Å; T106-E121 WeakPolarHBondContact CA-O 3.42Å; I107-E121 PolarHBondContact N-O 3.38Å; I107-E121 PolarHBondContact O-N 2.81Å; P117-E121 HydrophobicContact CB-CG 3.86Å; P117-E121 WeakPolarHBondContact CB-OE1 3.34Å; P117-E121 HydrophobicContact CG-CG 3.9Å; E121-H123 IonicContact OE2-CE1 2.84Å; E121-H123 PolarHBondContact OE2-CE1 3.42Å; E121-H123 VanDerWaalsContact OE2-CE1 3.32Å; E121-H123 IonicContact OE2-NE2 3.43Å; E121-H123 PolarHBondContact OE2-NE2 3.17Å
122I86.7Confident83.2Confident3 Ų351.9 Ų51.92%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-116.8122.9164.5-176.8171.6000108.4T21 F22 L30 P31 A36 F105 L124T21-I122 CarbonylContact C-O 3.6Å; T21-I122 VanDerWaalsContact CA-O 3.31Å; T21-I122 WeakPolarHBondContact CA-O 3.24Å; F22-I122 HydrophobicContact CB-CG2 3.67Å; F22-I122 HydrophobicContact CD2-CG2 4.05Å; F22-I122 HydrophobicContact CG-CG2 4.35Å; F22-I122 PolarHBondContact N-O 3.04Å; F22-I122 PolarHBondContact O-N 2.8Å; L30-I122 HydrophobicContact CD2-CB 4.24Å; L30-I122 HydrophobicContact CD2-CG2 4.03Å; P31-I122 HydrophobicContact CG-CG2 4.24Å; A36-I122 HydrophobicContact CB-CD1 3.91Å; A36-I122 HydrophobicContact CB-CG2 4.39Å; F105-I122 WeakPolarHBondContact O-CA 3.42Å; I122-L124 HydrophobicContact CG1-CD1 4.18Å; I122-L124 HydrophobicContact CG2-CD1 4.38Å
123H91.2Very high83.2Confident1 Ų154.6 Ų54.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-102.4133.7-178.1-53-104.2000109.4T21 F79 T104 F105 E121 F125T21-H123 PolarHBondContact OG1-ND1 3.14Å; F79-H123 AromaticContact CE1-CE1 3.88Å; F79-H123 AromaticContact CE1-NE2 3.92Å; F79-H123 AromaticContact CZ-CE1 3.67Å; T104-H123 VanDerWaalsContact CA-O 3.23Å; T104-H123 WeakPolarHBondContact CA-O 3.29Å; F105-H123 HydrophobicContact CD2-CB 4.37Å; F105-H123 AromaticContact CD2-CD2 3.86Å; F105-H123 HydrophobicContact CE1-CB 4.25Å; F105-H123 HydrophobicContact CE2-CB 3.96Å; F105-H123 AromaticContact CE2-CD2 3.43Å; F105-H123 VanDerWaalsContact CE2-CD2 3.43Å; F105-H123 WeakPolarHBondContact CE2-CD2 3.38Å; F105-H123 AromaticContact CE2-CG 3.74Å; F105-H123 HydrophobicContact CZ-CB 3.89Å; F105-H123 AromaticContact CZ-CG 4Å; F105-H123 PolarHBondContact N-O 2.96Å; F105-H123 VanDerWaalsContact N-O 3.15Å; F105-H123 PolarHBondContact O-N 3.42Å; E121-H123 IonicContact OE2-CE1 2.84Å; E121-H123 PolarHBondContact OE2-CE1 3.42Å; E121-H123 VanDerWaalsContact OE2-CE1 3.32Å; E121-H123 IonicContact OE2-NE2 3.43Å; E121-H123 PolarHBondContact OE2-NE2 3.17Å; H123-F125 HydrophobicContact CB-CD2 4.23Å; H123-F125 HydrophobicContact CB-CE2 3.47Å; H123-F125 VanDerWaalsContact CB-CE2 3.47Å; H123-F125 HydrophobicContact CB-CZ 4.19Å
124L90.6Very high83.7Confident0 Ų052.4 Ų52.40%026%0.257CS..EExtended strand (participates in β ladder)trans-119.4125.4179.5-6687000108.9L19 R20 F22 A36 V37 L40 T104 I122L19-L124 HydrophobicContact CB-CB 4.31Å; L19-L124 WeakPolarHBondContact CB-O 3.43Å; L19-L124 PolarHBondContact N-O 3.43Å; R20-L124 PolarHBondContact N-O 3.35Å; R20-L124 PolarHBondContact O-N 2.88Å; F22-L124 HydrophobicContact CD2-CD1 3.61Å; F22-L124 HydrophobicContact CE2-CD1 3.78Å; F22-L124 HydrophobicContact CE2-CD2 4.47Å; A36-L124 HydrophobicContact CB-CD1 4.23Å; A36-L124 HydrophobicContact CB-CD2 4.09Å; V37-L124 HydrophobicContact CG2-CD2 4.03Å; L40-L124 HydrophobicContact CD2-CB 4.05Å; L40-L124 HydrophobicContact CD2-CD2 3.54Å; L40-L124 HydrophobicContact CD2-CG 4.34Å; T104-L124 HydrophobicContact CG2-CB 4.39Å; T104-L124 HydrophobicContact CG2-CD2 4.1Å; T104-L124 HydrophobicContact CG2-CG 3.81Å; I122-L124 HydrophobicContact CG1-CD1 4.18Å; I122-L124 HydrophobicContact CG2-CD1 4.38Å
125F91.3Very high84.3Confident0 Ų047.1 Ų47.10%023%0.229CC..EExtended strand (participates in β ladder)trans-127.4144.6178.8-62.5-90.9000110.3V16 Q17 H18 M53 L66 L102 L103 F105 H123V16-F125 HydrophobicContact CB-CB 4.43Å; V16-F125 HydrophobicContact CB-CD1 4.28Å; V16-F125 HydrophobicContact CG2-CD1 3.93Å; V16-F125 HydrophobicContact CG2-CE1 4.44Å; Q17-F125 CarbonylContact O-C 3.48Å; Q17-F125 WeakPolarHBondContact O-CA 3.39Å; H18-F125 HydrophobicContact CB-CD1 3.96Å; H18-F125 HydrophobicContact CB-CE1 3.73Å; H18-F125 AromaticContact CD2-CE1 3.58Å; H18-F125 AromaticContact CD2-CZ 3.72Å; M53-F125 HydrophobicContact CE-CD1 4.41Å; M53-F125 HydrophobicContact CE-CD2 4.34Å; M53-F125 HydrophobicContact CE-CE1 4.48Å; M53-F125 HydrophobicContact CE-CE2 4.42Å; M53-F125 HydrophobicContact CE-CG 4.34Å; L66-F125 HydrophobicContact CD1-CE1 3.89Å; L66-F125 HydrophobicContact CD1-CZ 3.72Å; L66-F125 HydrophobicContact CD2-CE1 4.37Å; L102-F125 CarbonylContact C-O 3.52Å; L102-F125 VanDerWaalsContact CA-O 3.3Å; L102-F125 WeakPolarHBondContact CA-O 3.13Å; L103-F125 HydrophobicContact CB-CB 4.29Å; L103-F125 PolarHBondContact N-O 3.47Å; L103-F125 PolarHBondContact O-N 3.09Å; F105-F125 HydrophobicContact CD1-CD2 4.49Å; F105-F125 HydrophobicContact CD1-CE2 4.32Å; F105-F125 AromaticContact CE1-CD2 3.84Å; F105-F125 HydrophobicContact CE1-CD2 3.84Å; F105-F125 AromaticContact CE1-CE2 3.35Å; F105-F125 HydrophobicContact CE1-CE2 3.35Å; F105-F125 HydrophobicContact CE1-CZ 4.34Å; F105-F125 AromaticContact CZ-CE2 3.63Å; F105-F125 HydrophobicContact CZ-CE2 3.63Å; F105-F125 HydrophobicContact CZ-CZ 4.33Å; H123-F125 HydrophobicContact CB-CD2 4.23Å; H123-F125 HydrophobicContact CB-CE2 3.47Å; H123-F125 VanDerWaalsContact CB-CE2 3.47Å; H123-F125 HydrophobicContact CB-CZ 4.19Å
126Q88.7Confident84.7Confident32 Ų3245.4 Ų45.415%0.1521%0.21CC..EExtended strand (participates in β ladder)trans-96.4126.4162.3178164.712.900108.7V16 Q17 L19 N100 L102 L128V16-Q126 CarbonylContact C-O 3.46Å; V16-Q126 VanDerWaalsContact CA-O 3.3Å; V16-Q126 WeakPolarHBondContact CA-O 3.29Å; Q17-Q126 HydrophobicContact CB-CB 4.24Å; Q17-Q126 PolarHBondContact N-O 3.4Å; Q17-Q126 PolarHBondContact O-N 3.2Å; L19-Q126 HydrophobicContact CD1-CB 4Å; L19-Q126 HydrophobicContact CD2-CB 3.99Å; L19-Q126 HydrophobicContact CG-CB 4.2Å; N100-Q126 WeakPolarHBondContact O-CG 3.45Å; L102-Q126 HydrophobicContact CD2-CB 4.41Å; Q126-L128 HydrophobicContact CG-CD2 4.15Å
127V86.8Confident84.7Confident4 Ų440.4 Ų40.42%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-90.2131.1-179.8-1730000108.8V16 N101 L103 C130 A132 L135V16-V127 HydrophobicContact CG1-CG1 4.47Å; V16-V127 HydrophobicContact CG1-CG2 4.35Å; N101-V127 PolarHBondContact ND2-O 3.31Å; N101-V127 PolarHBondContact O-N 3.38Å; L103-V127 HydrophobicContact CB-CG2 3.65Å; L103-V127 HydrophobicContact CD2-CG2 4.4Å; V127-C130 WeakPolarHBondContact CG1-O 3.12Å; V127-A132 HydrophobicContact CB-CB 4.21Å; V127-A132 HydrophobicContact CG2-CB 3.7Å; V127-L135 HydrophobicContact CB-CD1 4.34Å; V127-L135 HydrophobicContact CG1-CD1 3.6Å; V127-L135 HydrophobicContact CG2-CD1 3.72Å
128L86Confident85.2Confident69 Ų6942.2 Ų42.236%0.36120%0.204SC..SBendtrans-104.3-32.6-173.5-56.9-179.8000113.2K15 Q17 Q126K15-L128 HydrophobicContact CB-CB 4.23Å; K15-L128 HydrophobicContact CB-CD1 4.38Å; K15-L128 WeakPolarHBondContact O-CB 3.09Å; K15-L128 PolarHBondContact O-N 2.84Å; Q17-L128 HydrophobicContact CG-CD1 3.98Å; Q126-L128 HydrophobicContact CG-CD2 4.15Å
129T83.3Confident85.6Confident47 Ų4731.8 Ų31.829%0.28817%0.165SC..SBendtrans-97.4-13.8-170.247.40000114.9Y14 K15Y14-T129 WeakPolarHBondContact CA-OG1 3.03Å; K15-T129 HydrophobicContact CB-CG2 3.68Å; K15-T129 HydrophobicContact CD-CG2 4.04Å; K15-T129 HydrophobicContact CG-CG2 3.77Å; K15-T129 PolarHBondContact N-OG1 3.25Å
130C82.6Confident85.6Confident23 Ų2329.1 Ų29.116%0.15516%0.16CC..SBendtrans-158.4163.4-178.968.80000110.8Y14 N101 V127 A132Y14-C130 VanDerWaalsContact CD1-SG 3.56Å; N101-C130 PolarHBondContact ND2-O 3.02Å; V127-C130 WeakPolarHBondContact CG1-O 3.12Å; C130-A132 PolarHBondContact O-N 3.22Å
131P83.9Confident85.9Confident65 Ų6538 Ų3842%0.42219%0.192SC..  trans-56.4131.1169.7-24.334.2000110.7N101 Q133 T134N101-P131 WeakPolarHBondContact OD1-CA 3.11Å; P131-Q133 PolarHBondContact O-N 3.24Å; P131-Q133 VanDerWaalsContact O-N 3.09Å; P131-T134 WeakPolarHBondContact O-CA 3.41Å; P131-T134 WeakPolarHBondContact O-CB 3.29Å; P131-T134 PolarHBondContact O-N 3.31Å; P131-T134 PolarHBondContact O-OG1 3.31Å
132A83.7Confident85.7Confident0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-57.9-27.2-17900000112.3N101 L102 L103 V127 C130 T134 L135 V136N101-A132 WeakPolarHBondContact OD1-CB 3.35Å; N101-A132 PolarHBondContact OD1-N 3.21Å; L102-A132 VanDerWaalsContact O-CB 3.25Å; L102-A132 WeakPolarHBondContact O-CB 3.48Å; L103-A132 HydrophobicContact CB-CB 4.32Å; V127-A132 HydrophobicContact CB-CB 4.21Å; V127-A132 HydrophobicContact CG2-CB 3.7Å; C130-A132 PolarHBondContact O-N 3.22Å; A132-T134 PolarHBondContact O-N 3.44Å; A132-L135 PolarHBondContact O-N 3.46Å; A132-L135 VanDerWaalsContact O-N 3.13Å; A132-V136 PolarHBondContact O-N 2.89Å
133Q80.6Confident85.7Confident80 Ų8039.9 Ų39.937%0.37422%0.215SC..Hα-helixtrans-52.8-38.1169.1-175.3175.719.900112.7Y89 P131 V136 N137Y89-Q133 HydrophobicContact CD1-CB 3.94Å; Y89-Q133 HydrophobicContact CD1-CG 4.05Å; Y89-Q133 HydrophobicContact CD2-CB 3.83Å; Y89-Q133 HydrophobicContact CD2-CG 4.48Å; Y89-Q133 HydrophobicContact CE1-CB 3.95Å; Y89-Q133 HydrophobicContact CE1-CG 3.61Å; Y89-Q133 HydrophobicContact CE2-CB 3.84Å; Y89-Q133 HydrophobicContact CE2-CG 4.09Å; Y89-Q133 HydrophobicContact CG-CB 3.88Å; Y89-Q133 HydrophobicContact CG-CG 4.46Å; Y89-Q133 PolarHBondContact OH-NE2 2.93Å; P131-Q133 PolarHBondContact O-N 3.24Å; P131-Q133 VanDerWaalsContact O-N 3.09Å; Q133-V136 PolarHBondContact O-N 2.8Å; Q133-N137 WeakPolarHBondContact O-CB 3.49Å; Q133-N137 PolarHBondContact O-N 2.77Å; Q133-N137 PolarHBondContact O-ND2 3.5Å
134T83.9Confident85.4Confident58 Ų5840.2 Ų40.236%0.35622%0.218SC..Hα-helixtrans-62.3-46.9177.4-53.40000110.9P131 A132 N137 L138P131-T134 WeakPolarHBondContact O-CA 3.41Å; P131-T134 WeakPolarHBondContact O-CB 3.29Å; P131-T134 PolarHBondContact O-N 3.31Å; P131-T134 PolarHBondContact O-OG1 3.31Å; A132-T134 PolarHBondContact O-N 3.44Å; T134-N137 PolarHBondContact O-N 3.19Å; T134-L138 HydrophobicContact CG2-CD1 4.19Å; T134-L138 VanDerWaalsContact O-CG 3.26Å; T134-L138 WeakPolarHBondContact O-CG 3.5Å; T134-L138 PolarHBondContact O-N 3.13Å
135L87.8Confident84.9Confident0 Ų042.7 Ų42.70%023%0.231CC..Hα-helixtrans-66-42.4177.8-81.2173.4000112Y14 V16 M53 L103 V127 A132 N137 L138 L139Y14-L135 HydrophobicContact CD1-CD2 4.21Å; Y14-L135 HydrophobicContact CD2-CD2 3.48Å; Y14-L135 VanDerWaalsContact CD2-CD2 3.48Å; Y14-L135 HydrophobicContact CE2-CD2 3.82Å; Y14-L135 HydrophobicContact CG-CD1 4.4Å; Y14-L135 HydrophobicContact CG-CD2 3.7Å; Y14-L135 HydrophobicContact CG-CG 4.29Å; V16-L135 HydrophobicContact CG1-CD1 4.25Å; M53-L135 HydrophobicContact SD-CD1 3.97Å; M53-L135 HydrophobicContact SD-CD2 4.23Å; L103-L135 HydrophobicContact CD2-CB 4.23Å; L103-L135 HydrophobicContact CD2-CD1 4.04Å; V127-L135 HydrophobicContact CB-CD1 4.34Å; V127-L135 HydrophobicContact CG1-CD1 3.6Å; V127-L135 HydrophobicContact CG2-CD1 3.72Å; A132-L135 PolarHBondContact O-N 3.46Å; A132-L135 VanDerWaalsContact O-N 3.13Å; L135-N137 VanDerWaalsContact C-N 3.34Å; L135-N137 PolarHBondContact O-N 3.01Å; L135-L138 HydrophobicContact CD2-CD1 4.39Å; L135-L138 WeakPolarHBondContact O-CB 3.48Å; L135-L138 PolarHBondContact O-N 2.86Å; L135-L138 VanDerWaalsContact O-N 3.17Å; L135-L139 WeakPolarHBondContact O-CG 3.43Å; L135-L139 PolarHBondContact O-N 3.33Å
136V84Confident83.9Confident5 Ų546.8 Ų46.83%0.0325%0.253CS..Hα-helixtrans-59.4-45.9174.9170.80000111.3P87 R88 Y89 L103 A132 Q133 L138 L139 L140P87-V136 HydrophobicContact CB-CG1 4.27Å; P87-V136 WeakPolarHBondContact O-CG1 3.43Å; R88-V136 VanDerWaalsContact C-CG2 3.5Å; Y89-V136 HydrophobicContact CD1-CB 4.15Å; Y89-V136 HydrophobicContact CD1-CG1 4.26Å; Y89-V136 HydrophobicContact CD1-CG2 4.15Å; Y89-V136 HydrophobicContact CG-CG2 4.46Å; L103-V136 HydrophobicContact CD1-CG2 3.53Å; A132-V136 PolarHBondContact O-N 2.89Å; Q133-V136 PolarHBondContact O-N 2.8Å; V136-L138 VanDerWaalsContact C-N 3.29Å; V136-L138 PolarHBondContact O-N 3.02Å; V136-L139 PolarHBondContact O-N 2.88Å; V136-L140 HydrophobicContact CG1-CD1 3.88Å; V136-L140 HydrophobicContact CG1-CG 4.38Å; V136-L140 WeakPolarHBondContact O-CG 3.32Å; V136-L140 PolarHBondContact O-N 3.13Å
137N78.7Confident82.6Confident63 Ų6350.3 Ų50.334%0.33727%0.269SS..Hα-helixtrans-62.4-37.6176.8-72.3-21.1000112Q133 T134 L135 R141Q133-N137 WeakPolarHBondContact O-CB 3.49Å; Q133-N137 PolarHBondContact O-N 2.77Å; Q133-N137 PolarHBondContact O-ND2 3.5Å; T134-N137 PolarHBondContact O-N 3.19Å; L135-N137 VanDerWaalsContact C-N 3.34Å; L135-N137 PolarHBondContact O-N 3.01Å; N137-R141 WeakPolarHBondContact O-CB 3.39Å; N137-R141 WeakPolarHBondContact O-CD 3.34Å; N137-R141 WeakPolarHBondContact O-CG 3.33Å; N137-R141 PolarHBondContact O-N 3.12Å
138L89Confident81.2Confident52 Ų5252.1 Ų52.127%0.27228%0.279SS..Hα-helixtrans-66.2-44175.1-73.8167.7000111.9Y14 I55 T134 L135 V136 R141 A142Y14-L138 HydrophobicContact CE1-CD1 4.48Å; Y14-L138 HydrophobicContact CE2-CD1 4.03Å; Y14-L138 WeakPolarHBondContact OH-CD1 3.46Å; I55-L138 HydrophobicContact CD1-CB 3.85Å; T134-L138 HydrophobicContact CG2-CD1 4.19Å; T134-L138 VanDerWaalsContact O-CG 3.26Å; T134-L138 WeakPolarHBondContact O-CG 3.5Å; T134-L138 PolarHBondContact O-N 3.13Å; L135-L138 HydrophobicContact CD2-CD1 4.39Å; L135-L138 WeakPolarHBondContact O-CB 3.48Å; L135-L138 PolarHBondContact O-N 2.86Å; L135-L138 VanDerWaalsContact O-N 3.17Å; V136-L138 VanDerWaalsContact C-N 3.29Å; V136-L138 PolarHBondContact O-N 3.02Å; L138-R141 PolarHBondContact O-N 2.93Å; L138-A142 VanDerWaalsContact O-CB 3.27Å; L138-A142 WeakPolarHBondContact O-CB 3.44Å; L138-A142 PolarHBondContact O-N 3.33Å
139L88.9Confident79.5Confident0 Ų051.9 Ų51.90%028%0.283CS..Hα-helixtrans-61.4-47.3176.7-70.7173000111.4I55 L64 I81 I84 P87 L103 L135 V136 R141 A142 G143 A144I55-L139 HydrophobicContact CD1-CD2 4.25Å; L64-L139 HydrophobicContact CB-CD2 4.47Å; L64-L139 HydrophobicContact CD1-CD2 4.01Å; L64-L139 HydrophobicContact CD2-CD2 4.14Å; L64-L139 HydrophobicContact CG-CD2 4.45Å; I81-L139 HydrophobicContact CD1-CD2 4.02Å; I81-L139 HydrophobicContact CG1-CD2 4.32Å; I81-L139 WeakPolarHBondContact CG2-O 3.45Å; I84-L139 HydrophobicContact CD1-CD2 4.09Å; P87-L139 HydrophobicContact CB-CB 4.35Å; P87-L139 HydrophobicContact CB-CD1 4.08Å; L103-L139 HydrophobicContact CD1-CD1 4.18Å; L135-L139 WeakPolarHBondContact O-CG 3.43Å; L135-L139 PolarHBondContact O-N 3.33Å; V136-L139 PolarHBondContact O-N 2.88Å; L139-R141 VanDerWaalsContact C-N 3.35Å; L139-R141 PolarHBondContact O-N 2.87Å; L139-A142 CarbonylContact O-C 3.52Å; L139-A142 PolarHBondContact O-N 3.31Å; L139-G143 PolarHBondContact O-N 2.9Å; L139-G143 VanDerWaalsContact O-N 3.13Å; L139-A144 HydrophobicContact CB-CB 4.01Å; L139-A144 VanDerWaalsContact O-CB 3.27Å; L139-A144 WeakPolarHBondContact O-CB 3.09Å; L139-A144 PolarHBondContact O-N 3.14Å
140L82.6Confident77.8Confident67 Ų6758 Ų5835%0.35130%0.302SS..Hα-helixtrans-61.6-42.2177.2-70.3171.4000111.7P87 V136 A142 G143 D146P87-L140 HydrophobicContact CG-CD2 3.61Å; P87-L140 HydrophobicContact CG-CG 3.93Å; V136-L140 HydrophobicContact CG1-CD1 3.88Å; V136-L140 HydrophobicContact CG1-CG 4.38Å; V136-L140 WeakPolarHBondContact O-CG 3.32Å; V136-L140 PolarHBondContact O-N 3.13Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 3.4Å; L140-G143 PolarHBondContact O-N 2.91Å; L140-G143 VanDerWaalsContact O-N 3.14Å; L140-D146 HydrophobicContact CD2-CB 4.16Å
141R84.2Confident75.6Confident206 Ų20663 Ų6378%0.77733%0.327SS*.Hα-helixtrans-66.2-31.4175.6-74.7170.8-175.8-175.41.7113.1N137 L138 L139 G143N137-R141 WeakPolarHBondContact O-CB 3.39Å; N137-R141 WeakPolarHBondContact O-CD 3.34Å; N137-R141 WeakPolarHBondContact O-CG 3.33Å; N137-R141 PolarHBondContact O-N 3.12Å; L138-R141 PolarHBondContact O-N 2.93Å; L139-R141 VanDerWaalsContact C-N 3.35Å; L139-R141 PolarHBondContact O-N 2.87Å; R141-G143 VanDerWaalsContact C-N 3.26Å
142A86.2Confident73.1Confident28 Ų2868.7 Ų68.723%0.23135%0.348CS..THydrogen-bonded Turntrans-83.73.3175.700000112.9P62 I81 L138 L139 L140P62-A142 HydrophobicContact CB-CB 4.2Å; P62-A142 HydrophobicContact CG-CB 4.31Å; P62-A142 WeakPolarHBondContact CG-O 3.22Å; I81-A142 HydrophobicContact CD1-CB 3.76Å; I81-A142 HydrophobicContact CG2-CB 3.86Å; I81-A142 WeakPolarHBondContact CG2-O 3.38Å; L138-A142 VanDerWaalsContact O-CB 3.27Å; L138-A142 WeakPolarHBondContact O-CB 3.44Å; L138-A142 PolarHBondContact O-N 3.33Å; L139-A142 CarbonylContact O-C 3.52Å; L139-A142 PolarHBondContact O-N 3.31Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 3.4Å
143G84.7Confident70.7Confident37 Ų3775.4 Ų75.438%0.38138%0.384SS..THydrogen-bonded Turntrans102.714.6171.100000116G82 L139 L140 R141G82-G143 WeakPolarHBondContact CA-O 3.46Å; L139-G143 PolarHBondContact O-N 2.9Å; L139-G143 VanDerWaalsContact O-N 3.13Å; L140-G143 PolarHBondContact O-N 2.91Å; L140-G143 VanDerWaalsContact O-N 3.14Å; R141-G143 VanDerWaalsContact C-N 3.26Å
144A86.4Confident68.3Low9 Ų977.4 Ų77.47%0.07440%0.402CS..  trans-63.5146.8168.800000110.8I81 I84 P87 L139I81-A144 HydrophobicContact CG2-CB 3.97Å; I81-A144 WeakPolarHBondContact O-CA 3.29Å; I84-A144 HydrophobicContact CB-CB 4.12Å; I84-A144 HydrophobicContact CG2-CB 4.29Å; P87-A144 HydrophobicContact CG-CB 3.94Å; L139-A144 HydrophobicContact CB-CB 4.01Å; L139-A144 VanDerWaalsContact O-CB 3.27Å; L139-A144 WeakPolarHBondContact O-CB 3.09Å; L139-A144 PolarHBondContact O-N 3.14Å
145L78.8Confident65.6Low51 Ų5181.8 Ų81.827%0.26742%0.423SS..BIsolated β-bridgetrans-92.9124.9-172.4-57.5174000110.8I84 L85 Y86 H147I84-L145 PolarHBondContact O-N 3.01Å; L85-L145 HydrophobicContact CD2-CB 3.77Å; L85-L145 HydrophobicContact CD2-CD1 3.63Å; L85-L145 HydrophobicContact CD2-CG 4.23Å; Y86-L145 PolarHBondContact N-O 3.36Å; L145-H147 VanDerWaalsContact C-N 3.28Å; L145-H147 WeakPolarHBondContact CB-O 3.41Å
146D70.9Confident63Low87 Ų8789.5 Ų89.547%0.46546%0.464SS..SBendtrans-79.5-14.3174.397.1-19.9000113.2Y86 L140Y86-D146 WeakPolarHBondContact CD1-O 3.36Å; L140-D146 HydrophobicContact CD2-CB 4.16Å
147H61.8Low60.3Low106 Ų10693.6 Ų93.649%0.49149%0.493SS..SBendtrans-141152.6-17961-79.8000110.4L145 S149L145-H147 VanDerWaalsContact C-N 3.28Å; L145-H147 WeakPolarHBondContact CB-O 3.41Å; H147-S149 PolarHBondContact CD2-OG 3.39Å; H147-S149 PolarHBondContact NE2-OG 3.41Å; H147-S149 PolarHBondContact O-N 3.47Å
148D56.4Low58.1Low41 Ų4198.9 Ų98.922%0.21952%0.518CS..  trans-90.990.3178.3-176.718.8000110L85 Y86 K108 Y150L85-D148 HydrophobicContact CD1-CB 4.48Å; Y86-D148 WeakPolarHBondContact OH-CB 3.36Å; K108-D148 VanDerWaalsContact CE-CG 3.5Å; K108-D148 WeakPolarHBondContact CE-OD1 3.47Å; K108-D148 WeakPolarHBondContact CE-OD2 3.46Å; K108-D148 IonicContact NZ-OD1 3.84Å; K108-D148 PolarHBondContact NZ-OD1 2.95Å; K108-D148 IonicContact NZ-OD2 2.95Å; K108-D148 PolarHBondContact NZ-OD2 3.46Å; D148-Y150 PolarHBondContact O-N 3.09Å
149S50.8Low55.5Low65 Ų65104 Ų10446%0.45555%0.545SS..THydrogen-bonded Turntrans-72.28.1-173.1-27.10000114.4H147H147-S149 PolarHBondContact CD2-OG 3.39Å; H147-S149 PolarHBondContact NE2-OG 3.41Å; H147-S149 PolarHBondContact O-N 3.47Å
150Y48Very low52.8Low175 Ų175110.9 Ų110.969%0.68658%0.58SS**THydrogen-bonded Turntrans-105.58.2-168.7-101.4-83.8000116.5D148D148-Y150 PolarHBondContact O-N 3.09Å
151N36.1Very low50.3Low127 Ų127112.9 Ų112.968%0.67960%0.599SS**  trans-100.477.7165.1-77-26.4000109.9D153N151-D153 VanDerWaalsContact C-N 3.3Å
152Q31.1Very low47.7Very low186 Ų186114.5 Ų114.587%0.86961%0.605SS**  trans-9763.3164.9-136.9172.623.200108.3
153D33.4Very low44.9Very low140 Ų140117.2 Ų117.275%0.74963%0.628SS**  trans-90.5102.9167-82.3-31.9000108.9N151N151-D153 VanDerWaalsContact C-N 3.3Å
154V30.1Very low42.5Very low123 Ų123120.8 Ų120.875%0.74564%0.644SS**SBendtrans14.2127.9142-143.40000117.4
155N28.8Very low39.9Very low149 Ų149125.8 Ų125.880%0.79768%0.679SS**  trans77.384.7170.1-69-17.4000117.5
156D31.2Very low37.6Very low162 Ų162131.5 Ų131.587%0.86670%0.704SS**  -140106.9116.1-142.7-5.2000110.5
157S29.1Very low35.8Very low91 Ų91133.5 Ų133.564%0.63672%0.722SS**  trans-71134.4173.152.30000109.6
158M31.7Very low34.3Very low174 Ų174135.1 Ų135.186%0.85773%0.734SS**  trans64.394157.4-56.7-143.1179.400116.5
159L33.5Very low33.4Very low160 Ų160139.9 Ų139.984%0.83876%0.759SS**  -154.6103.2125.3-78-167.5000111
160I33.8Very low32.8Very low144 Ų144146.2 Ų146.274%0.73877%0.773SS**  trans74.493.4136.4-50.3167.7000118.5
161S30.4Very low32.4Very low109 Ų109145.1 Ų145.176%0.76278%0.777SS**  46.8104.6122.1-52.80000121.9
162R28.3Very low32.2Very low240 Ų240144.2 Ų144.291%0.90678%0.778SS**  4.5115.4123-173.6172.6177.4155.6-1.2118.4
163A27.5Very low32.3Very low85 Ų85141.9 Ų141.970%0.70277%0.771SS**  trans65170.3143.800000118.8
164P34.3Very low32.3Very low112 Ų112142.7 Ų142.773%0.72777%0.77SS**  cis-130.4-178.6-23.223.70.9000112.3
165S31.2Very low32.5Very low115 Ų115142.7 Ų142.780%0.80477%0.771SS**  trans39.5128.4147.4-47.60000121.9
166E30.5Very low32.6Very low171 Ų171141 Ų14180%0.79977%0.771SS**  trans-26.1150.8174.5-60.2-173.5159.300119.5
167P34.8Very low32.7Very low129 Ų129139.6 Ų139.684%0.83877%0.774SS**  trans-124.612014429.6-13.1000113
168N29.8Very low32.9Very low139 Ų139138.6 Ų138.674%0.74378%0.777SS**  trans-58.2135.6157.4-84.4-67.7000111.9
169L37Very low32.9Very low141 Ų141133.5 Ų133.574%0.73877%0.769SS**  trans-174.7125.9153.4-85-171000105.2
170R37.9Very low33.1Very low198 Ų198136.7 Ų136.775%0.74777%0.772SS**  cis-177.2142.334.6-102.6164.7-173.9-179.55.1111.8
171I40.8Very low33Very low153 Ų153138.7 Ų138.779%0.78578%0.778SS**  trans86.9142.8132.8-65.7169.4000119.5
172P32.4Very low33.3Very low107 Ų107141 Ų14170%0.69578%0.782SS**  -126.4-177.7-126.944.6-33.2000116.8
173L33.1Very low33.6Very low138 Ų138135.1 Ų135.172%0.72377%0.774SS**  trans97.1113.7146.1-134.873.9000117.5
174Q33.2Very low34Very low156 Ų156136.9 Ų136.973%0.72978%0.778SS**  trans40.3130130.6-61.3175.11800117
175T34.2Very low33.8Very low123 Ų123137.8 Ų137.876%0.75578%0.782SS**  cis177.6145.836.513.70000108.2
176S30.2Very low33.9Very low115 Ų115139 Ų13980%0.80478%0.784SS**  trans37.7124.2148.1-68.50000123.2
177S32.5Very low34.1Very low132 Ų132137.7 Ų137.792%0.92378%0.781SS**  trans79.6116.9131-1600000119.6
178G34.6Very low33.8Very low69 Ų69140.1 Ų140.171%0.71178%0.779SS**  trans156.991.3164.600000111.5
179G31.5Very low33.8Very low67 Ų67142.1 Ų142.169%0.69178%0.784SS**  trans-74.2157.7-164.900000116.8
180Y37.8Very low33.4Very low227 Ų227142 Ų14289%0.8978%0.783SS**  trans-143.4145.7148.6-74-73.5000109.3
181Q32.1Very low33.1Very low186 Ų186135.5 Ų135.587%0.86977%0.768SS**  trans-68.7137.1-161.7-64.5150.51.700112.8
182L35.6Very low32.7Very low159 Ų159133.6 Ų133.683%0.83276%0.764SS**  trans-105.5135.7164.4-72.4-123.3000108.7
183P34.9Very low33Very low115 Ų115133.6 Ų133.675%0.74775%0.751SS**  trans-72.4152.4176.226.6-24.4000110.8
184P34.8Very low33.1Very low122 Ų122130.4 Ų130.479%0.79274%0.74SS**  trans-73.1141.9-169.330.5-33.8000112V186P184-V186 PolarHBondContact O-N 2.96Å
185T32.1Very low33.6Very low132 Ų132126.1 Ų126.181%0.8172%0.72SS**  trans-31.6114.8170.4-370000113.6I187T185-I187 PolarHBondContact O-N 2.87Å
186V32.4Very low34.3Very low140 Ų140124.7 Ų124.785%0.84872%0.715SS**  trans-68.7115.6163.6177.90000107.4P184 K188P184-V186 PolarHBondContact O-N 2.96Å; V186-K188 PolarHBondContact O-N 2.93Å
187I33.7Very low35.8Very low143 Ų143122.7 Ų122.773%0.73369%0.693SS**  trans-63.6128.7176.1-66169.3000108.2T185 E189T185-I187 PolarHBondContact O-N 2.87Å; I187-E189 PolarHBondContact O-N 2.95Å; I187-E189 VanDerWaalsContact O-N 3.15Å
188K29.7Very low37.4Very low181 Ų181118.7 Ų118.779%0.78766%0.661SS**  trans-55.6108.2167.6-111176.2169.1-175.60109.4V186 D190V186-K188 PolarHBondContact O-N 2.93Å; K188-D190 PolarHBondContact O-N 2.84Å
189E29Very low39.6Very low181 Ų181116.3 Ų116.385%0.84663%0.631SS**  trans-85.488.2165.3-71.6-174.6163.700108.7I187 S191I187-E189 PolarHBondContact O-N 2.95Å; I187-E189 VanDerWaalsContact O-N 3.15Å; E189-S191 PolarHBondContact O-N 3.21Å; E189-S191 VanDerWaalsContact O-N 3.11Å
190D29.8Very low41.9Very low137 Ų137117.3 Ų117.373%0.73362%0.615SS**  trans-72.292.6163.1-77.8-31.7000107.8K188 V192K188-D190 PolarHBondContact O-N 2.84Å; D190-V192 VanDerWaalsContact C-N 3.27Å; D190-V192 PolarHBondContact O-N 3.08Å
191S30.3Very low44.3Very low62 Ų62112.5 Ų112.543%0.43460%0.6SS.*  trans-75.873.4179.669.70000111.7E189E189-S191 PolarHBondContact O-N 3.21Å; E189-S191 VanDerWaalsContact O-N 3.11Å
192V32.9Very low47Very low114 Ų114106 Ų10669%0.69157%0.567SS**  trans-85.5105.8153.2179.80000105.6D190 S194D190-V192 VanDerWaalsContact C-N 3.27Å; D190-V192 PolarHBondContact O-N 3.08Å; V192-S194 PolarHBondContact O-N 3.33Å
193Y39.2Very low49.4Very low107 Ų10798.6 Ų98.642%0.4253%0.529SS..  trans-54.5117.5177.5-68.8-72.8000109.3P94 Q197 M412P94-Y193 HydrophobicContact CG-CE2 3.91Å; P94-Y193 WeakPolarHBondContact CG-OH 3.48Å; Y193-Q197 VanDerWaalsContact CD1-OE1 3.24Å; Y193-M412 HydrophobicContact CD1-CE 3.33Å; Y193-M412 HydrophobicContact CD2-CE 4.16Å; Y193-M412 HydrophobicContact CE1-CE 3.21Å; Y193-M412 HydrophobicContact CE2-CE 4.01Å; Y193-M412 HydrophobicContact CG-CE 3.84Å
194S34.9Very low51.8Low71 Ų7196.9 Ų96.950%0.49751%0.514SS..  trans-82.2149.4174.9-66.90000108.8V192 S196 Q197V192-S194 PolarHBondContact O-N 3.33Å; S194-S196 PolarHBondContact O-N 3.31Å; S194-Q197 PolarHBondContact O-N 3.04Å
195E42.9Very low54.6Low66 Ų6693.7 Ų93.731%0.30849%0.489SS..G310 helixtrans-50.7-19.8177.4-69.5-172.6-16800114.3Q197 I198 R200 F458E195-Q197 PolarHBondContact O-N 3.36Å; E195-I198 PolarHBondContact O-N 3.39Å; E195-R200 IonicContact OE2-CZ 2.85Å; E195-R200 IonicContact OE2-NH1 3.8Å; E195-R200 PolarHBondContact OE2-NH1 2.9Å; E195-R200 IonicContact OE2-NH2 2.67Å; E195-R200 PolarHBondContact OE2-NH2 2.95Å; E195-F458 WeakPolarHBondContact OE1-CB 2.92Å
196S48.7Very low57.5Low92 Ų9287.4 Ų87.464%0.64345%0.451SS*.G310 helixtrans-62.6-14.8174.855.60000114.5S194S194-S196 PolarHBondContact O-N 3.31Å
197Q63Low60.2Low73 Ų7381.7 Ų81.734%0.34142%0.416SS..G310 helixtrans-98.11.3-179.1-64.9175.1-7300113.5Y193 S194 E195 M412 L413Y193-Q197 VanDerWaalsContact CD1-OE1 3.24Å; S194-Q197 PolarHBondContact O-N 3.04Å; E195-Q197 PolarHBondContact O-N 3.36Å; Q197-M412 WeakPolarHBondContact O-CA 3.44Å; Q197-L413 WeakPolarHBondContact O-CB 3.48Å; Q197-L413 PolarHBondContact O-N 3.26Å
198I65.5Low63Low49 Ų4977.1 Ų77.125%0.25140%0.4SS..BIsolated β-bridgetrans-96.5127.6177.9-60.5173.3000109.4E195 R200 I203 Y411E195-I198 PolarHBondContact O-N 3.39Å; I198-R200 PolarHBondContact O-N 2.74Å; I198-R200 VanDerWaalsContact O-N 3.08Å; I198-I203 HydrophobicContact CG2-CD1 3.57Å; I198-Y411 CarbonylContact C-O 3.46Å; I198-Y411 WeakPolarHBondContact CA-O 3.09Å
199N81Confident66.1Low18 Ų1868.6 Ų68.610%0.09636%0.363CS..  trans-7593.6171.1-170.4-22.4000110E201 W202 Y411 L413N199-E201 VanDerWaalsContact C-N 3.32Å; N199-E201 PolarHBondContact O-N 2.84Å; N199-E201 WeakPolarHBondContact OD1-CB 3.35Å; N199-E201 PolarHBondContact OD1-N 2.66Å; N199-E201 VanDerWaalsContact OD1-N 3.17Å; N199-W202 HydrophobicContact CB-CD2 3.93Å; N199-W202 HydrophobicContact CB-CE3 3.58Å; N199-W202 HydrophobicContact CB-CG 4.34Å; N199-W202 HydrophobicContact CB-CZ3 4.08Å; N199-W202 PolarHBondContact OD1-N 3.37Å; N199-Y411 PolarHBondContact N-O 3.29Å; N199-L413 HydrophobicContact CB-CD2 3.89Å; N199-L413 HydrophobicContact CB-CG 4.16Å
200R79.4Confident69.2Low89 Ų8960 Ų6034%0.33632%0.323SS..Hα-helixtrans-68-30.4179.6-55.9-167.5-150.9-122.92.4112.7E195 I198 W202 I203 D204E195-R200 IonicContact OE2-CZ 2.85Å; E195-R200 IonicContact OE2-NH1 3.8Å; E195-R200 PolarHBondContact OE2-NH1 2.9Å; E195-R200 IonicContact OE2-NH2 2.67Å; E195-R200 PolarHBondContact OE2-NH2 2.95Å; I198-R200 PolarHBondContact O-N 2.74Å; I198-R200 VanDerWaalsContact O-N 3.08Å; R200-W202 VanDerWaalsContact C-N 3.31Å; R200-W202 PolarHBondContact O-N 3.12Å; R200-I203 PolarHBondContact O-N 3.06Å; R200-I203 VanDerWaalsContact O-N 3.13Å; R200-D204 PolarHBondContact O-N 2.92Å
201E87.7Confident72.2Confident125 Ų12554.8 Ų54.858%0.58430%0.295SS*.Hα-helixtrans-61.3-40.5179.3-61.2178.1-179.800111.4N199 D204 L205N199-E201 VanDerWaalsContact C-N 3.32Å; N199-E201 PolarHBondContact O-N 2.84Å; N199-E201 WeakPolarHBondContact OD1-CB 3.35Å; N199-E201 PolarHBondContact OD1-N 2.66Å; N199-E201 VanDerWaalsContact OD1-N 3.17Å; E201-D204 PolarHBondContact O-N 3.25Å; E201-L205 WeakPolarHBondContact O-CB 3.42Å; E201-L205 WeakPolarHBondContact O-CG 3.27Å; E201-L205 PolarHBondContact O-N 3.23Å
202W89.8Confident75.2Confident49 Ų4952.9 Ų52.919%0.18628%0.28CS..Hα-helixtrans-62.8-42174.6-72.9-19.2000112.7N199 R200 L205 E206 Q390 Y391 E392 Y411N199-W202 HydrophobicContact CB-CD2 3.93Å; N199-W202 HydrophobicContact CB-CE3 3.58Å; N199-W202 HydrophobicContact CB-CG 4.34Å; N199-W202 HydrophobicContact CB-CZ3 4.08Å; N199-W202 PolarHBondContact OD1-N 3.37Å; R200-W202 VanDerWaalsContact C-N 3.31Å; R200-W202 PolarHBondContact O-N 3.12Å; W202-L205 PolarHBondContact O-N 3.12Å; W202-E206 WeakPolarHBondContact O-CB 3.22Å; W202-E206 WeakPolarHBondContact O-CG 3.32Å; W202-E206 PolarHBondContact O-N 2.74Å; W202-Q390 VanDerWaalsContact CD1-O 3.26Å; W202-Q390 PolarHBondContact NE1-O 3.13Å; W202-Y391 PolarHBondContact NE1-O 3.46Å; W202-E392 HydrophobicContact CB-CB 4.24Å; W202-E392 HydrophobicContact CD2-CB 3.77Å; W202-E392 HydrophobicContact CD2-CG 4.14Å; W202-E392 HydrophobicContact CE3-CB 3.82Å; W202-E392 HydrophobicContact CE3-CG 3.67Å; W202-E392 HydrophobicContact CG-CB 3.99Å; W202-E392 HydrophobicContact CZ3-CB 4.45Å; W202-E392 HydrophobicContact CZ3-CG 3.9Å; W202-Y411 HydrophobicContact CB-CD1 3.97Å; W202-Y411 HydrophobicContact CB-CE1 4.41Å; W202-Y411 HydrophobicContact CE3-CD1 4.48Å
203I85.2Confident78.2Confident5 Ų547.5 Ų47.53%0.02625%0.247CC..Hα-helixtrans-64.2-48.4178.4-63.4165.7000109.6I198 R200 L205 E206 V207 L289 Y292 Y411I198-I203 HydrophobicContact CG2-CD1 3.57Å; R200-I203 PolarHBondContact O-N 3.06Å; R200-I203 VanDerWaalsContact O-N 3.13Å; I203-L205 VanDerWaalsContact C-N 3.32Å; I203-L205 PolarHBondContact O-N 3.01Å; I203-E206 PolarHBondContact O-N 2.94Å; I203-V207 HydrophobicContact CG2-CG2 4.32Å; I203-V207 VanDerWaalsContact O-CG2 3.29Å; I203-V207 WeakPolarHBondContact O-CG2 3.32Å; I203-V207 PolarHBondContact O-N 3.2Å; I203-L289 HydrophobicContact CG2-CD2 4.03Å; I203-Y292 HydrophobicContact CD1-CD1 3.63Å; I203-Y292 HydrophobicContact CD1-CD2 4.47Å; I203-Y292 HydrophobicContact CD1-CE1 3.45Å; I203-Y292 VanDerWaalsContact CD1-CE1 3.45Å; I203-Y292 HydrophobicContact CD1-CE2 4.35Å; I203-Y292 HydrophobicContact CD1-CG 4.14Å; I203-Y292 HydrophobicContact CG2-CD1 4.48Å; I203-Y292 HydrophobicContact CG2-CG 4.19Å; I203-Y411 HydrophobicContact CD1-CD2 4.37Å; I203-Y411 HydrophobicContact CD1-CG 4.15Å; I203-Y411 HydrophobicContact CG1-CD1 3.77Å; I203-Y411 HydrophobicContact CG1-CD2 4.09Å; I203-Y411 HydrophobicContact CG1-CE1 4.11Å; I203-Y411 HydrophobicContact CG1-CE2 4.38Å; I203-Y411 HydrophobicContact CG1-CG 3.74Å
204D86Confident80.8Confident79 Ų7942.8 Ų42.842%0.42223%0.229SC..Hα-helixtrans-61.5-40.2-179.8-68.6-23.5000111.8R200 E201 V207 A208R200-D204 PolarHBondContact O-N 2.92Å; E201-D204 PolarHBondContact O-N 3.25Å; D204-V207 PolarHBondContact O-N 3.15Å; D204-A208 WeakPolarHBondContact O-CB 3.4Å; D204-A208 PolarHBondContact O-N 3.11Å
205L93.2Very high83.5Confident54 Ų5442.9 Ų42.928%0.28322%0.224SC..Hα-helixtrans-64.6-43.5175-75172.1000112.3E201 W202 I203 A208 L209 Q390 Y391E201-L205 WeakPolarHBondContact O-CB 3.42Å; E201-L205 WeakPolarHBondContact O-CG 3.27Å; E201-L205 PolarHBondContact O-N 3.23Å; W202-L205 PolarHBondContact O-N 3.12Å; I203-L205 VanDerWaalsContact C-N 3.32Å; I203-L205 PolarHBondContact O-N 3.01Å; L205-A208 PolarHBondContact O-N 3.36Å; L205-L209 WeakPolarHBondContact O-CB 3.49Å; L205-L209 PolarHBondContact O-N 3.11Å; L205-Q390 HydrophobicContact CD1-CB 4.09Å; L205-Q390 WeakPolarHBondContact CD1-O 3.27Å; L205-Y391 HydrophobicContact CB-CD1 3.92Å; L205-Y391 HydrophobicContact CB-CE1 3.76Å
206E93.4Very high86Confident0 Ų040.1 Ų40.10%021%0.211CC..Hα-helixtrans-68.6-35.3177.2-73.9-166.2-149.700112.4W202 I203 L209 L210 L285 R288 L289 Y391 L395 Y411W202-E206 WeakPolarHBondContact O-CB 3.22Å; W202-E206 WeakPolarHBondContact O-CG 3.32Å; W202-E206 PolarHBondContact O-N 2.74Å; I203-E206 PolarHBondContact O-N 2.94Å; E206-L209 WeakPolarHBondContact O-CB 3.5Å; E206-L209 PolarHBondContact O-N 2.78Å; E206-L210 WeakPolarHBondContact O-CB 3.41Å; E206-L210 PolarHBondContact O-N 2.87Å; E206-L285 HydrophobicContact CB-CD2 4.39Å; E206-L285 HydrophobicContact CG-CD2 4.45Å; E206-R288 IonicContact OE1-CZ 3.61Å; E206-R288 IonicContact OE1-NE 3.8Å; E206-R288 PolarHBondContact OE1-NE 3.32Å; E206-R288 IonicContact OE1-NH2 2.94Å; E206-R288 PolarHBondContact OE1-NH2 2.74Å; E206-R288 IonicContact OE2-CZ 3.48Å; E206-R288 IonicContact OE2-NE 3.34Å; E206-R288 PolarHBondContact OE2-NE 3.33Å; E206-R288 IonicContact OE2-NH2 3.34Å; E206-L289 HydrophobicContact CB-CD1 4.13Å; E206-L289 HydrophobicContact CB-CD2 3.99Å; E206-L289 HydrophobicContact CB-CG 4.33Å; E206-Y391 HydrophobicContact CG-CD1 4.09Å; E206-L395 HydrophobicContact CG-CD2 3.79Å; E206-Y411 PolarHBondContact OE2-OH 3.32Å; E206-Y411 VanDerWaalsContact OE2-OH 3.11Å
207V90Very high88.2Confident20 Ų2035.9 Ų35.912%0.12118%0.181CC..Hα-helixtrans-65-45.5172.2170.50000110.7I203 D204 L209 L210 N211 L289 L293I203-V207 HydrophobicContact CG2-CG2 4.32Å; I203-V207 VanDerWaalsContact O-CG2 3.29Å; I203-V207 WeakPolarHBondContact O-CG2 3.32Å; I203-V207 PolarHBondContact O-N 3.2Å; D204-V207 PolarHBondContact O-N 3.15Å; V207-L209 VanDerWaalsContact C-N 3.25Å; V207-L209 PolarHBondContact O-N 2.8Å; V207-L210 WeakPolarHBondContact O-CB 3.39Å; V207-L210 PolarHBondContact O-N 3.44Å; V207-N211 VanDerWaalsContact O-CG 3.26Å; V207-N211 PolarHBondContact O-N 3.43Å; V207-N211 PolarHBondContact O-OD1 2.85Å; V207-L289 HydrophobicContact CG2-CD1 3.91Å; V207-L289 HydrophobicContact CG2-CD2 4.04Å; V207-L293 HydrophobicContact CG2-CD2 4.27Å
208A91.4Very high89.6Confident48 Ų4834.5 Ų34.540%0.39718%0.175SC..Hα-helixtrans-59.4-40.3175.100000111.3D204 L205 N211 L212D204-A208 WeakPolarHBondContact O-CB 3.4Å; D204-A208 PolarHBondContact O-N 3.11Å; L205-A208 PolarHBondContact O-N 3.36Å; A208-N211 PolarHBondContact O-N 2.92Å; A208-L212 WeakPolarHBondContact O-CG 3.44Å; A208-L212 PolarHBondContact O-N 3.39Å; A208-L212 VanDerWaalsContact O-N 3.11Å
209L94.6Very high90.8Very high1 Ų133.5 Ų33.51%0.00517%0.172CC..Hα-helixtrans-66.4-38.4176.6-169.467.3000112.7L205 E206 V207 N211 L212 C213 F281 L285 F380 F384 V386 Y391 L395 F396L205-L209 WeakPolarHBondContact O-CB 3.49Å; L205-L209 PolarHBondContact O-N 3.11Å; E206-L209 WeakPolarHBondContact O-CB 3.5Å; E206-L209 PolarHBondContact O-N 2.78Å; V207-L209 VanDerWaalsContact C-N 3.25Å; V207-L209 PolarHBondContact O-N 2.8Å; L209-N211 VanDerWaalsContact C-N 3.32Å; L209-L212 HydrophobicContact CD1-CD1 4.4Å; L209-L212 WeakPolarHBondContact O-CB 3.28Å; L209-L212 PolarHBondContact O-N 3.07Å; L209-C213 PolarHBondContact O-N 3.08Å; L209-C213 PolarHBondContact O-SG 3.18Å; L209-F281 HydrophobicContact CD2-CE1 3.68Å; L209-F281 HydrophobicContact CD2-CZ 3.66Å; L209-F281 HydrophobicContact CG-CE1 3.98Å; L209-F281 HydrophobicContact CG-CZ 4.46Å; L209-L285 HydrophobicContact CB-CD1 4.29Å; L209-L285 HydrophobicContact CD2-CD1 4.17Å; L209-L285 HydrophobicContact CD2-CD2 4.15Å; L209-L285 HydrophobicContact CG-CD1 4.02Å; L209-F380 HydrophobicContact CD1-CE2 3.47Å; L209-F380 VanDerWaalsContact CD1-CE2 3.47Å; L209-F380 HydrophobicContact CD1-CZ 3.41Å; L209-F380 VanDerWaalsContact CD1-CZ 3.41Å; L209-F380 HydrophobicContact CG-CZ 4.32Å; L209-F384 HydrophobicContact CD1-CE1 4.32Å; L209-V386 HydrophobicContact CD1-CG2 3.95Å; L209-Y391 HydrophobicContact CB-CE1 4.23Å; L209-Y391 HydrophobicContact CD2-CE1 3.96Å; L209-L395 HydrophobicContact CD2-CD2 4.12Å; L209-F396 HydrophobicContact CD2-CE2 4.04Å; L209-F396 HydrophobicContact CD2-CZ 3.66Å
210L95.2Very high91.4Very high1 Ų133.2 Ų33.21%0.00517%0.171CC..Hα-helixtrans-61.3-42.9174.4178.364.4000111.1E206 V207 L212 C213 F214 A282 L285 L286 L289 L293E206-L210 WeakPolarHBondContact O-CB 3.41Å; E206-L210 PolarHBondContact O-N 2.87Å; V207-L210 WeakPolarHBondContact O-CB 3.39Å; V207-L210 PolarHBondContact O-N 3.44Å; L210-L212 PolarHBondContact O-N 3.05Å; L210-C213 WeakPolarHBondContact O-CB 3.36Å; L210-C213 PolarHBondContact O-N 3.37Å; L210-C213 VanDerWaalsContact O-N 3.13Å; L210-F214 HydrophobicContact CD1-CD1 4.49Å; L210-F214 HydrophobicContact CD1-CE1 3.83Å; L210-F214 HydrophobicContact CD1-CE2 4Å; L210-F214 HydrophobicContact CD1-CZ 3.56Å; L210-F214 HydrophobicContact CD2-CE2 4.13Å; L210-F214 HydrophobicContact CD2-CZ 4.25Å; L210-F214 HydrophobicContact CG-CD2 4.34Å; L210-F214 HydrophobicContact CG-CE1 4.5Å; L210-F214 HydrophobicContact CG-CE2 3.79Å; L210-F214 HydrophobicContact CG-CZ 3.89Å; L210-F214 PolarHBondContact O-N 2.6Å; L210-A282 HydrophobicContact CD1-CB 4.19Å; L210-L285 HydrophobicContact CB-CB 4.32Å; L210-L285 HydrophobicContact CB-CD1 4.04Å; L210-L285 HydrophobicContact CD1-CB 3.92Å; L210-L285 HydrophobicContact CD1-CD1 4.32Å; L210-L286 HydrophobicContact CD1-CD2 4.24Å; L210-L286 HydrophobicContact CD1-CG 4.05Å; L210-L286 HydrophobicContact CD2-CD2 3.77Å; L210-L286 HydrophobicContact CD2-CG 4.4Å; L210-L289 HydrophobicContact CB-CD1 4.44Å; L210-L289 HydrophobicContact CD2-CD1 4.16Å; L210-L293 HydrophobicContact CD2-CD1 3.94Å
211N91.7Very high92Very high28 Ų2831.2 Ų31.215%0.1516%0.163CC..Hα-helixtrans-62.4-44177.9-62-11.6000111.4V207 A208 L209 C213 F214 D215 L444V207-N211 VanDerWaalsContact O-CG 3.26Å; V207-N211 PolarHBondContact O-N 3.43Å; V207-N211 PolarHBondContact O-OD1 2.85Å; A208-N211 PolarHBondContact O-N 2.92Å; L209-N211 VanDerWaalsContact C-N 3.32Å; N211-C213 VanDerWaalsContact C-N 3.26Å; N211-C213 PolarHBondContact O-N 2.92Å; N211-F214 PolarHBondContact O-N 3.17Å; N211-F214 VanDerWaalsContact O-N 3.12Å; N211-D215 PolarHBondContact O-N 3.4Å; N211-L444 HydrophobicContact CB-CD2 3.89Å; N211-L444 VanDerWaalsContact CG-CD2 3.48Å; N211-L444 WeakPolarHBondContact OD1-CD1 3.49Å; N211-L444 WeakPolarHBondContact OD1-CD2 3.23Å; N211-L444 WeakPolarHBondContact OD1-CG 3.16Å
212L94Very high92.1Very high22 Ų2230.6 Ų30.612%0.11516%0.159CC..Hα-helixtrans-58.4-38.1173.8-69.9171.4000112.4A208 L209 L210 D216 F380 N382 F384A208-L212 WeakPolarHBondContact O-CG 3.44Å; A208-L212 PolarHBondContact O-N 3.39Å; A208-L212 VanDerWaalsContact O-N 3.11Å; L209-L212 HydrophobicContact CD1-CD1 4.4Å; L209-L212 WeakPolarHBondContact O-CB 3.28Å; L209-L212 PolarHBondContact O-N 3.07Å; L210-L212 PolarHBondContact O-N 3.05Å; L212-D216 PolarHBondContact O-N 3.17Å; L212-F380 HydrophobicContact CB-CD1 3.75Å; L212-F380 HydrophobicContact CB-CE1 3.54Å; L212-F380 HydrophobicContact CB-CG 4.35Å; L212-F380 HydrophobicContact CB-CZ 3.96Å; L212-F380 HydrophobicContact CD1-CE2 4.42Å; L212-N382 WeakPolarHBondContact CD2-ND2 2.96Å; L212-F384 HydrophobicContact CD1-CB 4.06Å; L212-F384 HydrophobicContact CD1-CD1 3.48Å; L212-F384 VanDerWaalsContact CD1-CD1 3.48Å; L212-F384 HydrophobicContact CD1-CD2 4.03Å; L212-F384 HydrophobicContact CD1-CE1 3.86Å; L212-F384 HydrophobicContact CD1-CE2 4.37Å; L212-F384 HydrophobicContact CD1-CG 3.58Å; L212-F384 HydrophobicContact CD1-CZ 4.29Å
213C94.9Very high92.2Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-65.4-42.3175.7-63.80000111.6L209 L210 N211 D216 I217 F281 A282L209-C213 PolarHBondContact O-N 3.08Å; L209-C213 PolarHBondContact O-SG 3.18Å; L210-C213 WeakPolarHBondContact O-CB 3.36Å; L210-C213 PolarHBondContact O-N 3.37Å; L210-C213 VanDerWaalsContact O-N 3.13Å; N211-C213 VanDerWaalsContact C-N 3.26Å; N211-C213 PolarHBondContact O-N 2.92Å; C213-D216 PolarHBondContact O-N 3.27Å; C213-I217 WeakPolarHBondContact O-CB 3.49Å; C213-I217 WeakPolarHBondContact O-CD1 3.19Å; C213-I217 WeakPolarHBondContact O-CG1 3.26Å; C213-I217 PolarHBondContact O-N 3.08Å; C213-F281 WeakPolarHBondContact SG-CD1 3.49Å; C213-A282 HydrophobicContact CB-CB 4.26Å
214F94.4Very high92.4Very high9 Ų931.3 Ų31.34%0.03917%0.166CC..Hα-helixtrans-65.2-41.2178.4-68.3-23.2000112.6L210 N211 D216 I217 E218 A282 L286 L301 L305 L444 L447L210-F214 HydrophobicContact CD1-CD1 4.49Å; L210-F214 HydrophobicContact CD1-CE1 3.83Å; L210-F214 HydrophobicContact CD1-CE2 4Å; L210-F214 HydrophobicContact CD1-CZ 3.56Å; L210-F214 HydrophobicContact CD2-CE2 4.13Å; L210-F214 HydrophobicContact CD2-CZ 4.25Å; L210-F214 HydrophobicContact CG-CD2 4.34Å; L210-F214 HydrophobicContact CG-CE1 4.5Å; L210-F214 HydrophobicContact CG-CE2 3.79Å; L210-F214 HydrophobicContact CG-CZ 3.89Å; L210-F214 PolarHBondContact O-N 2.6Å; N211-F214 PolarHBondContact O-N 3.17Å; N211-F214 VanDerWaalsContact O-N 3.12Å; F214-D216 PolarHBondContact O-N 3.38Å; F214-I217 HydrophobicContact CD1-CD1 4.35Å; F214-I217 PolarHBondContact O-N 3.35Å; F214-E218 WeakPolarHBondContact O-CB 3.35Å; F214-E218 PolarHBondContact O-N 3.31Å; F214-A282 HydrophobicContact CD1-CB 4.46Å; F214-A282 HydrophobicContact CE1-CB 4.03Å; F214-L286 HydrophobicContact CZ-CD1 4.35Å; F214-L286 HydrophobicContact CZ-CD2 4.29Å; F214-L301 HydrophobicContact CE2-CD1 4.49Å; F214-L301 HydrophobicContact CE2-CD2 3.98Å; F214-L301 HydrophobicContact CZ-CB 4.49Å; F214-L301 HydrophobicContact CZ-CD2 4.29Å; F214-L305 HydrophobicContact CD1-CD1 4.16Å; F214-L305 HydrophobicContact CE1-CD1 3.78Å; F214-L444 HydrophobicContact CD2-CD1 4.3Å; F214-L444 HydrophobicContact CD2-CD2 3.74Å; F214-L444 HydrophobicContact CE2-CD1 4.27Å; F214-L447 HydrophobicContact CD2-CD1 3.6Å; F214-L447 HydrophobicContact CD2-CG 4.36Å; F214-L447 HydrophobicContact CE2-CD1 3.56Å; F214-L447 HydrophobicContact CG-CD1 4.13Å; F214-L447 HydrophobicContact CZ-CD1 4.05Å
215D92.4Very high92.5Very high73 Ų7332.1 Ų32.139%0.3917%0.165SC..Hα-helixtrans-57.2-49.1175.8-72.3-18.1000111.4N211 E218 S219N211-D215 PolarHBondContact O-N 3.4Å; D215-E218 PolarHBondContact O-N 2.84Å; D215-S219 WeakPolarHBondContact O-CB 3.41Å; D215-S219 PolarHBondContact O-N 3.06Å
216D94.7Very high92.2Very high7 Ų731.8 Ų31.84%0.03717%0.167CC..Hα-helixtrans-68.5-37.6179.5-83.722000112.5L212 C213 F214 E218 S219 N220 K278 F380 E381L212-D216 PolarHBondContact O-N 3.17Å; C213-D216 PolarHBondContact O-N 3.27Å; F214-D216 PolarHBondContact O-N 3.38Å; D216-E218 VanDerWaalsContact C-N 3.33Å; D216-S219 PolarHBondContact O-N 2.67Å; D216-N220 VanDerWaalsContact O-CB 3.31Å; D216-N220 WeakPolarHBondContact O-CB 3.44Å; D216-N220 PolarHBondContact O-N 3.09Å; D216-N220 PolarHBondContact O-ND2 3.44Å; D216-K278 HydrophobicContact CB-CD 3.61Å; D216-K278 WeakPolarHBondContact OD2-CE 3.42Å; D216-K278 IonicContact OD2-NZ 2.7Å; D216-K278 PolarHBondContact OD2-NZ 3.05Å; D216-F380 VanDerWaalsContact OD2-CA 3.27Å; D216-F380 WeakPolarHBondContact OD2-CA 3.22Å; D216-E381 WeakPolarHBondContact OD1-CB 3.34Å; D216-E381 PolarHBondContact OD1-N 3.31Å; D216-E381 PolarHBondContact OD2-N 3.5Å
217I94.9Very high91.4Very high3 Ų336.7 Ų36.72%0.01519%0.186CC..Hα-helixtrans-61.6-44173.9-72.3164.4000110.1C213 F214 Y221 F275 K278 L279 A282 L305 F308C213-I217 WeakPolarHBondContact O-CB 3.49Å; C213-I217 WeakPolarHBondContact O-CD1 3.19Å; C213-I217 WeakPolarHBondContact O-CG1 3.26Å; C213-I217 PolarHBondContact O-N 3.08Å; F214-I217 HydrophobicContact CD1-CD1 4.35Å; F214-I217 PolarHBondContact O-N 3.35Å; I217-Y221 WeakPolarHBondContact O-CB 3.44Å; I217-Y221 PolarHBondContact O-N 3.38Å; I217-F275 HydrophobicContact CG2-CD2 4.18Å; I217-F275 HydrophobicContact CG2-CE2 3.68Å; I217-F275 HydrophobicContact CG2-CZ 4.48Å; I217-F275 WeakPolarHBondContact O-CE2 3.48Å; I217-K278 HydrophobicContact CD1-CB 4.2Å; I217-K278 HydrophobicContact CG1-CB 3.79Å; I217-L279 HydrophobicContact CD1-CD2 4.14Å; I217-L279 HydrophobicContact CD1-CG 4.3Å; I217-L279 HydrophobicContact CG1-CG 4.48Å; I217-L279 HydrophobicContact CG2-CD2 4.17Å; I217-L279 HydrophobicContact CG2-CG 4.49Å; I217-A282 HydrophobicContact CD1-CB 4.02Å; I217-L305 HydrophobicContact CD1-CD1 3.91Å; I217-F308 HydrophobicContact CG2-CB 4.32Å; I217-F308 HydrophobicContact CG2-CD1 4.26Å; I217-F308 HydrophobicContact CG2-CG 4.26Å
218E92.1Very high90.6Very high44 Ų4436.8 Ų36.821%0.20619%0.186CC..Hα-helixtrans-66.2-42178.3-158.1-159.116300111.5F214 D215 D216 Y221 K222 T446F214-E218 WeakPolarHBondContact O-CB 3.35Å; F214-E218 PolarHBondContact O-N 3.31Å; D215-E218 PolarHBondContact O-N 2.84Å; D216-E218 VanDerWaalsContact C-N 3.33Å; E218-Y221 PolarHBondContact O-N 3.38Å; E218-K222 WeakPolarHBondContact O-CG 3.45Å; E218-K222 PolarHBondContact O-N 3.29Å; E218-K222 WeakPolarHBondContact OE1-CE 3.47Å; E218-K222 IonicContact OE1-NZ 2.72Å; E218-K222 PolarHBondContact OE1-NZ 3.08Å; E218-K222 IonicContact OE2-NZ 2.65Å; E218-K222 PolarHBondContact OE2-NZ 3.31Å; E218-T446 PolarHBondContact OE2-OG1 3.38Å
219S91.1Very high89.6Confident28 Ų2837.7 Ų37.720%0.19619%0.19CC..Hα-helixtrans-58.8-53.2175-1740000111.3D215 D216 Y221 K222 I223 E381D215-S219 WeakPolarHBondContact O-CB 3.41Å; D215-S219 PolarHBondContact O-N 3.06Å; D216-S219 PolarHBondContact O-N 2.67Å; S219-Y221 VanDerWaalsContact C-N 3.34Å; S219-Y221 PolarHBondContact O-N 3.07Å; S219-K222 WeakPolarHBondContact O-CB 3.29Å; S219-K222 PolarHBondContact O-N 3.05Å; S219-K222 VanDerWaalsContact O-N 3.14Å; S219-I223 WeakPolarHBondContact O-CG1 2.86Å; S219-I223 PolarHBondContact O-N 3.49Å; S219-I223 VanDerWaalsContact O-N 3.09Å; S219-E381 WeakPolarHBondContact CB-OE2 3.22Å; S219-E381 PolarHBondContact OG-OE2 3.44Å
220N93.4Very high87.9Confident13 Ų1344 Ų447%0.0721%0.214CC..Hα-helixtrans-61.3-40.7177.4-79.1-33.3000112.4D216 K222 I223 L224 C271 D274 F275D216-N220 VanDerWaalsContact O-CB 3.31Å; D216-N220 WeakPolarHBondContact O-CB 3.44Å; D216-N220 PolarHBondContact O-N 3.09Å; D216-N220 PolarHBondContact O-ND2 3.44Å; N220-K222 VanDerWaalsContact C-N 3.33Å; N220-K222 PolarHBondContact O-N 3.15Å; N220-I223 WeakPolarHBondContact O-CB 3.42Å; N220-I223 PolarHBondContact O-N 3.03Å; N220-L224 WeakPolarHBondContact O-CG 3.2Å; N220-L224 PolarHBondContact O-N 3.48Å; N220-C271 PolarHBondContact OD1-SG 3.36Å; N220-D274 PolarHBondContact ND2-OD2 3.48Å; N220-F275 HydrophobicContact CB-CB 3.89Å; N220-F275 HydrophobicContact CB-CD2 3.75Å; N220-F275 HydrophobicContact CB-CG 4.28Å
221Y91.9Very high86Confident46 Ų4650.2 Ų50.218%0.1824%0.243CC..Hα-helixtrans-57.3-44.4174.2169.5-91.5000111.9I217 E218 S219 I223 L224 K225 F308 Y311I217-Y221 WeakPolarHBondContact O-CB 3.44Å; I217-Y221 PolarHBondContact O-N 3.38Å; E218-Y221 PolarHBondContact O-N 3.38Å; S219-Y221 VanDerWaalsContact C-N 3.34Å; S219-Y221 PolarHBondContact O-N 3.07Å; Y221-I223 VanDerWaalsContact C-N 3.33Å; Y221-I223 PolarHBondContact O-N 3.32Å; Y221-L224 PolarHBondContact O-N 3.27Å; Y221-K225 HydrophobicContact CE1-CD 3.83Å; Y221-K225 VanDerWaalsContact O-CB 3.24Å; Y221-K225 WeakPolarHBondContact O-CB 3.43Å; Y221-K225 PolarHBondContact O-N 2.88Å; Y221-K225 PolarHBondContact OH-NZ 2.87Å; Y221-F308 HydrophobicContact CD1-CD1 4.35Å; Y221-F308 AromaticContact CD1-CE1 3.98Å; Y221-F308 HydrophobicContact CD1-CE1 3.98Å; Y221-F308 AromaticContact CD2-CD1 3.53Å; Y221-F308 HydrophobicContact CD2-CD1 3.53Å; Y221-F308 AromaticContact CD2-CE1 3.98Å; Y221-F308 HydrophobicContact CD2-CE1 3.98Å; Y221-F308 HydrophobicContact CE1-CE1 4.47Å; Y221-F308 HydrophobicContact CE2-CD1 4.13Å; Y221-F308 HydrophobicContact CE2-CE1 4.41Å; Y221-F308 AromaticContact CG-CD1 3.67Å; Y221-F308 HydrophobicContact CG-CD1 3.67Å; Y221-F308 AromaticContact CG-CE1 3.75Å; Y221-F308 HydrophobicContact CG-CE1 3.75Å; Y221-Y311 AromaticContact CD2-CD1 3.44Å; Y221-Y311 HydrophobicContact CD2-CD1 3.44Å; Y221-Y311 VanDerWaalsContact CD2-CD1 3.44Å; Y221-Y311 HydrophobicContact CD2-CE1 4.07Å; Y221-Y311 AromaticContact CD2-CG 3.97Å; Y221-Y311 HydrophobicContact CD2-CG 3.97Å; Y221-Y311 AromaticContact CE2-CD1 3.17Å; Y221-Y311 HydrophobicContact CE2-CD1 3.17Å; Y221-Y311 AromaticContact CE2-CD2 3.95Å; Y221-Y311 HydrophobicContact CE2-CD2 3.95Å; Y221-Y311 AromaticContact CE2-CE1 3.79Å; Y221-Y311 HydrophobicContact CE2-CE1 3.79Å; Y221-Y311 HydrophobicContact CE2-CE2 4.47Å; Y221-Y311 AromaticContact CE2-CG 3.3Å; Y221-Y311 HydrophobicContact CE2-CG 3.3Å
222K90.9Very high83.8Confident112 Ų11256.1 Ų56.149%0.48727%0.268SS..Hα-helixtrans-61.5-41.6176.2-71.8163.6-176.4159.20111.3E218 S219 N220 K225 S226E218-K222 WeakPolarHBondContact O-CG 3.45Å; E218-K222 PolarHBondContact O-N 3.29Å; E218-K222 WeakPolarHBondContact OE1-CE 3.47Å; E218-K222 IonicContact OE1-NZ 2.72Å; E218-K222 PolarHBondContact OE1-NZ 3.08Å; E218-K222 IonicContact OE2-NZ 2.65Å; E218-K222 PolarHBondContact OE2-NZ 3.31Å; S219-K222 WeakPolarHBondContact O-CB 3.29Å; S219-K222 PolarHBondContact O-N 3.05Å; S219-K222 VanDerWaalsContact O-N 3.14Å; N220-K222 VanDerWaalsContact C-N 3.33Å; N220-K222 PolarHBondContact O-N 3.15Å; K222-K225 PolarHBondContact O-N 3.45Å; K222-S226 WeakPolarHBondContact O-CB 3.29Å; K222-S226 PolarHBondContact O-N 2.85Å
223I91Very high81.7Confident67 Ų6759.3 Ų59.334%0.34429%0.288SS..Hα-helixtrans-62.2-52.8176.6-64.7169000110.5S219 N220 Y221 K225 S226 R227S219-I223 WeakPolarHBondContact O-CG1 2.86Å; S219-I223 PolarHBondContact O-N 3.49Å; S219-I223 VanDerWaalsContact O-N 3.09Å; N220-I223 WeakPolarHBondContact O-CB 3.42Å; N220-I223 PolarHBondContact O-N 3.03Å; Y221-I223 VanDerWaalsContact C-N 3.33Å; Y221-I223 PolarHBondContact O-N 3.32Å; I223-K225 VanDerWaalsContact C-N 3.31Å; I223-K225 PolarHBondContact O-N 3.19Å; I223-S226 PolarHBondContact O-N 3.46Å; I223-S226 PolarHBondContact O-OG 3.47Å; I223-R227 PolarHBondContact O-N 3.14Å
224L89.8Confident79.3Confident3 Ų367.9 Ų67.92%0.01633%0.325CS..Hα-helixtrans-55.8-46.3178-70.2174.1000111N220 Y221 S226 R227 T228 V268 A272 F275N220-L224 WeakPolarHBondContact O-CG 3.2Å; N220-L224 PolarHBondContact O-N 3.48Å; Y221-L224 PolarHBondContact O-N 3.27Å; L224-S226 PolarHBondContact O-N 3.32Å; L224-R227 PolarHBondContact O-N 3.42Å; L224-T228 WeakPolarHBondContact O-CG2 3.15Å; L224-T228 PolarHBondContact O-N 3.42Å; L224-T228 VanDerWaalsContact O-N 3.09Å; L224-T228 PolarHBondContact O-OG1 3.25Å; L224-V268 HydrophobicContact CD2-CG1 4.18Å; L224-A272 HydrophobicContact CD2-CB 4.05Å; L224-F275 HydrophobicContact CD1-CB 4.33Å; L224-F275 HydrophobicContact CD1-CD1 4.06Å; L224-F275 HydrophobicContact CD1-CD2 4.33Å; L224-F275 HydrophobicContact CD1-CE1 4.45Å; L224-F275 HydrophobicContact CD1-CG 3.98Å
225K88.3Confident77Confident96 Ų9671.7 Ų71.742%0.41735%0.353SS..Hα-helixtrans-62.8-42.5179.2-176.4171-174.8174.30113.7Y221 K222 I223 R227 T228 S229 Y311Y221-K225 HydrophobicContact CE1-CD 3.83Å; Y221-K225 VanDerWaalsContact O-CB 3.24Å; Y221-K225 WeakPolarHBondContact O-CB 3.43Å; Y221-K225 PolarHBondContact O-N 2.88Å; Y221-K225 PolarHBondContact OH-NZ 2.87Å; K222-K225 PolarHBondContact O-N 3.45Å; I223-K225 VanDerWaalsContact C-N 3.31Å; I223-K225 PolarHBondContact O-N 3.19Å; K225-R227 PolarHBondContact O-N 3.48Å; K225-T228 PolarHBondContact O-OG1 3.14Å; K225-S229 PolarHBondContact O-N 2.93Å; K225-S229 PolarHBondContact O-OG 3.27Å; K225-Y311 WeakPolarHBondContact CA-OH 3.27Å; K225-Y311 HydrophobicContact CB-CE1 3.93Å; K225-Y311 WeakPolarHBondContact CB-OH 3.38Å; K225-Y311 WeakPolarHBondContact CG-OH 3.42Å
226S85.5Confident74.5Confident46 Ų4672.5 Ų72.532%0.32236%0.364SS..Hα-helixtrans-64.5-23.2178.681.80000113.5K222 I223 L224 R230K222-S226 WeakPolarHBondContact O-CB 3.29Å; K222-S226 PolarHBondContact O-N 2.85Å; I223-S226 PolarHBondContact O-N 3.46Å; I223-S226 PolarHBondContact O-OG 3.47Å; L224-S226 PolarHBondContact O-N 3.32Å; S226-R230 WeakPolarHBondContact O-CG 3.26Å; S226-R230 PolarHBondContact O-NE 3.34Å
227R77.6Confident71.8Confident103 Ų10376.3 Ų76.339%0.38940%0.397SS..Hα-helixtrans-93.3-39.2-176.7-72.8-72.4179151.3-2.7112.4I223 L224 K225 R230 Q231 D265 V268I223-R227 PolarHBondContact O-N 3.14Å; L224-R227 PolarHBondContact O-N 3.42Å; K225-R227 PolarHBondContact O-N 3.48Å; R227-R230 PolarHBondContact O-N 3.28Å; R227-Q231 PolarHBondContact O-N 3.15Å; R227-D265 IonicContact NH1-OD2 3.82Å; R227-D265 PolarHBondContact NH1-OD2 3.23Å; R227-V268 HydrophobicContact CG-CG2 4.18Å
228T74.1Confident69.3Low22 Ų2281.3 Ų81.314%0.13543%0.432CS..Hα-helixtrans-63.9-41.4175.255.30000111.8L224 K225 R230 Q231 F232 Y311 A315L224-T228 WeakPolarHBondContact O-CG2 3.15Å; L224-T228 PolarHBondContact O-N 3.42Å; L224-T228 VanDerWaalsContact O-N 3.09Å; L224-T228 PolarHBondContact O-OG1 3.25Å; K225-T228 PolarHBondContact O-OG1 3.14Å; T228-R230 VanDerWaalsContact C-N 3.27Å; T228-R230 PolarHBondContact O-N 3.04Å; T228-Q231 PolarHBondContact O-N 3.11Å; T228-Q231 VanDerWaalsContact O-N 3.14Å; T228-F232 VanDerWaalsContact O-CD2 3.23Å; T228-F232 WeakPolarHBondContact O-CD2 3.47Å; T228-F232 PolarHBondContact O-N 3.39Å; T228-Y311 PolarHBondContact OG1-OH 2.8Å; T228-Y311 VanDerWaalsContact OG1-OH 3.08Å; T228-A315 HydrophobicContact CG2-CB 3.62Å
229S68.4Low66.8Low68 Ų6885.2 Ų85.248%0.47646%0.459SS..Hα-helixtrans-60.7-33.5174.6-600000113.2K225 Q231 F232 T233K225-S229 PolarHBondContact O-N 2.93Å; K225-S229 PolarHBondContact O-OG 3.27Å; S229-Q231 VanDerWaalsContact C-N 3.34Å; S229-F232 PolarHBondContact O-N 3.15Å; S229-T233 WeakPolarHBondContact O-CG2 3.3Å; S229-T233 PolarHBondContact O-N 3.05Å
230R60.4Low64.5Low133 Ų13388.5 Ų88.550%0.50249%0.487SS..Hα-helixtrans-72-25.2177.6-74.4-176.9-120.6-157.6-1113.6S226 R227 T228 T233 K234S226-R230 WeakPolarHBondContact O-CG 3.26Å; S226-R230 PolarHBondContact O-NE 3.34Å; R227-R230 PolarHBondContact O-N 3.28Å; T228-R230 VanDerWaalsContact C-N 3.27Å; T228-R230 PolarHBondContact O-N 3.04Å; R230-T233 PolarHBondContact O-OG1 3.02Å; R230-K234 PolarHBondContact O-N 3.46Å
231Q54.6Low61.8Low131 Ų13194.3 Ų94.361%0.61252%0.523SS*.Hα-helixtrans-71.7-38.3175.5-71.3-177.5-9.300111.1R227 T228 S229 S235R227-Q231 PolarHBondContact O-N 3.15Å; T228-Q231 PolarHBondContact O-N 3.11Å; T228-Q231 VanDerWaalsContact O-N 3.14Å; S229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-S235 PolarHBondContact O-OG 3.42Å
232F44.8Very low59.5Low153 Ų15397.5 Ų97.567%0.67155%0.552SS**Hα-helixtrans-71-31.2177.1-71.2-73.9000113.9T228 S229 S235T228-F232 VanDerWaalsContact O-CD2 3.23Å; T228-F232 WeakPolarHBondContact O-CD2 3.47Å; T228-F232 PolarHBondContact O-N 3.39Å; S229-F232 PolarHBondContact O-N 3.15Å; F232-S235 PolarHBondContact O-OG 2.94Å
233T50.1Low57.1Low88 Ų8897.3 Ų97.354%0.5457%0.565SS.*Hα-helixtrans-77.6-25.8179.357.10000113.6S229 R230 S235 S236S229-T233 WeakPolarHBondContact O-CG2 3.3Å; S229-T233 PolarHBondContact O-N 3.05Å; R230-T233 PolarHBondContact O-OG1 3.02Å; T233-S235 VanDerWaalsContact C-N 3.34Å; T233-S236 PolarHBondContact O-OG 3.17Å
234K45.9Very low55Low181 Ų181103.5 Ų103.579%0.78759%0.59SS**Hα-helixtrans-75-23.7174.7-75.6-175.6177.7-177.40113.1R230R230-K234 PolarHBondContact O-N 3.46Å
235S44.4Very low52.8Low89 Ų89109.2 Ų109.262%0.62263%0.63SS**THydrogen-bonded Turntrans-79.6-9.9177.538.90000115.1Q231 F232 T233Q231-S235 PolarHBondContact O-OG 3.42Å; F232-S235 PolarHBondContact O-OG 2.94Å; T233-S235 VanDerWaalsContact C-N 3.34Å
236S41Very low50.5Low90 Ų90114.5 Ų114.563%0.62965%0.653SS**SBendtrans-111.20.7-176.459.70000115.4T233 S238T233-S236 PolarHBondContact O-OG 3.17Å; S236-S238 PolarHBondContact O-N 3.48Å
237A38Very low48.5Very low87 Ų87117.4 Ų117.472%0.71967%0.673SS**  trans-90.716.1-171.600000116
238S42.6Very low46.8Very low107 Ų107123.3 Ų123.375%0.74870%0.695SS**  trans-114.754.9-179.969.70000113.6S236S236-S238 PolarHBondContact O-N 3.48Å
239V39.4Very low45.2Very low127 Ų127129.9 Ų129.977%0.7773%0.728SS**  trans-137.271.1162.7-172.90000108.5T241V239-T241 HydrophobicContact CG1-CG2 4.44Å
240A42.4Very low44Very low97 Ų97131.8 Ų131.880%0.80274%0.741SS**  trans-99.198.8164.500000108S242A240-S242 PolarHBondContact O-N 3.23Å
241T37.2Very low42.7Very low134 Ų134131.1 Ų131.182%0.82276%0.757SS**  trans-70.6102.1169.348.90000109.3V239V239-T241 HydrophobicContact CG1-CG2 4.44Å
242S43.6Very low41.9Very low113 Ų113130.6 Ų130.679%0.7976%0.763SS**  trans-128.1104166.462.70000110.2A240A240-S242 PolarHBondContact O-N 3.23Å
243S40.9Very low41.2Very low108 Ų108130.5 Ų130.576%0.75577%0.769SS**  trans-78.8149.7171.751.40000110.7
244K45Very low40.6Very low197 Ų197131.4 Ų131.486%0.85778%0.775SS**  trans77.8103.3165.2-60.5173.3176.3172.70117.8
245S45.4Very low39.8Very low124 Ų124129.6 Ų129.687%0.86777%0.773SS**  159.814990.756.10000112.3
246K38.9Very low39.5Very low206 Ų206133.9 Ų133.990%0.89678%0.783SS**  trans-68.7137.2-169.5-74.9163165.5166.40113.7
247S44Very low39Very low107 Ų107135.8 Ų135.875%0.74879%0.791SS**  171.8133.4111.860.30000115.1
248R42.7Very low38.6Very low227 Ų227136.9 Ų136.986%0.85779%0.794SS**  trans54.8107148.4-71.4-178.3-126.3159.32.7122.7
249I38.8Very low38.2Very low160 Ų160136.6 Ų136.682%0.82179%0.792SS**  48.5104.9124.1-51.9163.6000117.6
250S44.2Very low38.1Very low108 Ų108139 Ų13976%0.75580%0.8SS**  -159.9130.3121.649.60000110
251S31.9Very low37.9Very low119 Ų119139 Ų13983%0.83279%0.79SS**  trans-69.5118.8178.747.40000111.1
252V38.5Very low38.6Very low120 Ų120137.1 Ų137.173%0.72778%0.778SS**  trans-126106.4159-175.10000107.7V254V252-V254 HydrophobicContact CG1-CG2 3.98Å; V252-V254 PolarHBondContact O-N 2.88Å
253N31.2Very low39.1Very low152 Ų152140 Ų14081%0.81378%0.779SS**  trans-56.6117.7160.1-81.9-25.8000108.6
254V36.7Very low40.1Very low107 Ų107137.9 Ų137.965%0.64876%0.762SS**  trans-129.6101.1153.4-174.10000107.5V252 Q256V252-V254 HydrophobicContact CG1-CG2 3.98Å; V252-V254 PolarHBondContact O-N 2.88Å; V254-Q256 HydrophobicContact CG1-CG 4.38Å; V254-Q256 PolarHBondContact O-N 3.39Å; V254-Q256 VanDerWaalsContact O-N 3.16Å
255N29.5Very low41.6Very low142 Ų142132.9 Ų132.976%0.75974%0.744SS**  trans-52.2110.8164.3-63.9-28.9000109.5
256Q37.3Very low43.5Very low179 Ų179131.9 Ų131.984%0.83673%0.726SS**  trans-136.958.4158-76.5-169.738.800109.9V254V254-Q256 HydrophobicContact CG1-CG 4.38Å; V254-Q256 PolarHBondContact O-N 3.39Å; V254-Q256 VanDerWaalsContact O-N 3.16Å
257T29.9Very low45.8Very low130 Ų130126.3 Ų126.380%0.79871%0.711SS**  trans-113.577.9159.633.70000107.5
258S30Very low47.9Very low111 Ų111122.3 Ų122.378%0.77668%0.682SS**SBendtrans177133.215933.30000112.2
259S34.2Very low50.2Low101 Ų101116.2 Ų116.271%0.70666%0.661SS**  trans83.664.616880.50000119.6T261S259-T261 VanDerWaalsContact C-N 3.33Å
260L37.3Very low52.8Low177 Ų177115 Ų11593%0.92765%0.65SS**  trans-10255.7147.1-73.7169.5000109.2T262L260-T262 PolarHBondContact O-N 3.36Å
261T38.9Very low55.1Low98 Ų98110.6 Ų110.660%0.60162%0.619SS**  trans-75.3111.9154.7420000106.3S259 E263S259-T261 VanDerWaalsContact C-N 3.33Å; T261-E263 PolarHBondContact O-N 3.2Å
262T51.6Low58.1Low94 Ų94105 Ų10558%0.57758%0.58SS**  trans-56.367.9178.1-39.70000111.9L260 V264L260-T262 PolarHBondContact O-N 3.36Å; T262-V264 PolarHBondContact O-N 3.04Å
263E55.1Low60.9Low173 Ų173101.2 Ų101.281%0.80856%0.557SS**  trans-76.4109.5167-65.2-125.2145.900106.8T261 D265T261-E263 PolarHBondContact O-N 3.2Å; E263-D265 PolarHBondContact O-N 3.48Å
264V61.5Low64Low64 Ų6495.8 Ų95.839%0.38853%0.528SS..  trans-57.3124.7172.81760000107.4T262 E266 V268 K269T262-V264 PolarHBondContact O-N 3.04Å; V264-E266 PolarHBondContact O-N 3.32Å; V264-E266 VanDerWaalsContact O-N 3.11Å; V264-V268 HydrophobicContact CG1-CB 3.86Å; V264-V268 HydrophobicContact CG1-CG1 3.84Å; V264-K269 HydrophobicContact CG1-CB 4.25Å
265D76.3Confident66.8Low92 Ų9290.7 Ų90.749%0.49250%0.497SS..  trans-39.6120.6173.5-74.3-21.3000109.5R227 E263 P267 V268 K269R227-D265 IonicContact NH1-OD2 3.82Å; R227-D265 PolarHBondContact NH1-OD2 3.23Å; E263-D265 PolarHBondContact O-N 3.48Å; D265-P267 VanDerWaalsContact C-N 3.28Å; D265-P267 HydrophobicContact CB-CG 4.21Å; D265-P267 VanDerWaalsContact O-N 3.08Å; D265-V268 HydrophobicContact CB-CB 4.32Å; D265-V268 HydrophobicContact CB-CG2 3.94Å; D265-V268 WeakPolarHBondContact O-CA 3.28Å; D265-V268 WeakPolarHBondContact O-CB 3.29Å; D265-V268 PolarHBondContact O-N 3.05Å; D265-K269 PolarHBondContact O-N 3.44Å; D265-K269 VanDerWaalsContact O-N 3.07Å
266E84.5Confident70.1Confident102 Ų10283.9 Ų83.948%0.47746%0.461SS..Hα-helixtrans-43.3-42.9-178.8-175.559.6-15800114.6V264 V268 K269 K270V264-E266 PolarHBondContact O-N 3.32Å; V264-E266 VanDerWaalsContact O-N 3.11Å; E266-V268 VanDerWaalsContact C-N 3.34Å; E266-V268 PolarHBondContact O-N 3.15Å; E266-K269 PolarHBondContact O-N 3.4Å; E266-K270 WeakPolarHBondContact O-CG 3.42Å; E266-K270 PolarHBondContact O-N 3.27Å; E266-K270 WeakPolarHBondContact OE1-CE 3.12Å
267P87.6Confident73Confident89 Ų8977.6 Ų77.658%0.57843%0.432SS*.Hα-helixtrans-63.3-34.6174.523.8-35.9000114.2D265 K270 C271D265-P267 VanDerWaalsContact C-N 3.28Å; D265-P267 HydrophobicContact CB-CG 4.21Å; D265-P267 VanDerWaalsContact O-N 3.08Å; P267-K270 PolarHBondContact O-N 3.45Å; P267-C271 WeakPolarHBondContact O-CB 3.47Å; P267-C271 PolarHBondContact O-N 3.48Å
268V88Confident76.2Confident23 Ų2371.6 Ų71.614%0.13940%0.395CS..Hα-helixtrans-70.9-38.1177179.10000110.1L224 R227 V264 D265 E266 C271 A272L224-V268 HydrophobicContact CD2-CG1 4.18Å; R227-V268 HydrophobicContact CG-CG2 4.18Å; V264-V268 HydrophobicContact CG1-CB 3.86Å; V264-V268 HydrophobicContact CG1-CG1 3.84Å; D265-V268 HydrophobicContact CB-CB 4.32Å; D265-V268 HydrophobicContact CB-CG2 3.94Å; D265-V268 WeakPolarHBondContact O-CA 3.28Å; D265-V268 WeakPolarHBondContact O-CB 3.29Å; D265-V268 PolarHBondContact O-N 3.05Å; E266-V268 VanDerWaalsContact C-N 3.34Å; E266-V268 PolarHBondContact O-N 3.15Å; V268-C271 PolarHBondContact O-N 3.3Å; V268-A272 WeakPolarHBondContact O-CB 3.36Å; V268-A272 PolarHBondContact O-N 3.2Å
269K91.1Very high79.4Confident99 Ų9966.5 Ų66.543%0.4336%0.358SS..Hα-helixtrans-61.3-45.4173.8-174.3-177.7175.5-171.70111.2V264 D265 E266 A272 V273 I326V264-K269 HydrophobicContact CG1-CB 4.25Å; D265-K269 PolarHBondContact O-N 3.44Å; D265-K269 VanDerWaalsContact O-N 3.07Å; E266-K269 PolarHBondContact O-N 3.4Å; K269-A272 PolarHBondContact O-N 2.94Å; K269-V273 WeakPolarHBondContact O-CG2 3.33Å; K269-V273 PolarHBondContact O-N 3.15Å; K269-I326 HydrophobicContact CG-CD1 4.18Å
270K92.9Very high82.4Confident135 Ų13561.7 Ų61.759%0.58733%0.325SS*.Hα-helixtrans-61.2-46.5175.8-71-178.8-178.2-177.30112.5E266 P267 A272 V273 D274E266-K270 WeakPolarHBondContact O-CG 3.42Å; E266-K270 PolarHBondContact O-N 3.27Å; E266-K270 WeakPolarHBondContact OE1-CE 3.12Å; P267-K270 PolarHBondContact O-N 3.45Å; K270-A272 VanDerWaalsContact C-N 3.33Å; K270-A272 PolarHBondContact O-N 2.85Å; K270-V273 PolarHBondContact O-N 2.86Å; K270-D274 WeakPolarHBondContact O-CB 3.35Å; K270-D274 PolarHBondContact O-N 2.92Å
271C94.3Very high85.3Confident15 Ų1553.5 Ų53.510%0.10128%0.282CS..Hα-helixtrans-59.1-42.5174.6171.60000111.9N220 P267 V268 D274 F275N220-C271 PolarHBondContact OD1-SG 3.36Å; P267-C271 WeakPolarHBondContact O-CB 3.47Å; P267-C271 PolarHBondContact O-N 3.48Å; V268-C271 PolarHBondContact O-N 3.3Å; C271-D274 PolarHBondContact O-N 3.42Å; C271-F275 VanDerWaalsContact O-CB 3.26Å; C271-F275 WeakPolarHBondContact O-CB 3.34Å; C271-F275 PolarHBondContact O-N 3.02Å
272A94.8Very high88.1Confident1 Ų148.8 Ų48.81%0.00825%0.253CS..Hα-helixtrans-65.2-42177.500000112.8L224 V268 K269 K270 F275 F276 T316 I326L224-A272 HydrophobicContact CD2-CB 4.05Å; V268-A272 WeakPolarHBondContact O-CB 3.36Å; V268-A272 PolarHBondContact O-N 3.2Å; K269-A272 PolarHBondContact O-N 2.94Å; K270-A272 VanDerWaalsContact C-N 3.33Å; K270-A272 PolarHBondContact O-N 2.85Å; A272-F275 WeakPolarHBondContact O-CB 3.22Å; A272-F275 PolarHBondContact O-N 3.4Å; A272-F276 HydrophobicContact CB-CE2 4.45Å; A272-F276 WeakPolarHBondContact O-CD2 3.5Å; A272-F276 PolarHBondContact O-N 3.45Å; A272-F276 VanDerWaalsContact O-N 3.11Å; A272-T316 HydrophobicContact CB-CG2 3.78Å; A272-I326 HydrophobicContact CB-CD1 4.24Å; A272-I326 HydrophobicContact CB-CG2 3.91Å
273V96Very high90.3Very high42 Ų4244.5 Ų44.526%0.25523%0.227SC..Hα-helixtrans-61.1-52.6175.5172.10000109.9K269 K270 F275 F276 E277 I326K269-V273 WeakPolarHBondContact O-CG2 3.33Å; K269-V273 PolarHBondContact O-N 3.15Å; K270-V273 PolarHBondContact O-N 2.86Å; V273-F275 VanDerWaalsContact C-N 3.28Å; V273-F275 PolarHBondContact O-N 3.19Å; V273-F276 PolarHBondContact O-N 2.83Å; V273-E277 HydrophobicContact CG1-CG 4.13Å; V273-E277 WeakPolarHBondContact O-CG 3.35Å; V273-E277 PolarHBondContact O-N 3.39Å; V273-I326 HydrophobicContact CG2-CG2 3.86Å
274D96.4Very high92.3Very high37 Ų3736.5 Ų36.520%0.19819%0.189CC..Hα-helixtrans-57.3-40179-178.672.6000112.4N220 K270 C271 E277 K278N220-D274 PolarHBondContact ND2-OD2 3.48Å; K270-D274 WeakPolarHBondContact O-CB 3.35Å; K270-D274 PolarHBondContact O-N 2.92Å; C271-D274 PolarHBondContact O-N 3.42Å; D274-E277 PolarHBondContact O-N 2.68Å; D274-K278 WeakPolarHBondContact O-CB 3.44Å; D274-K278 WeakPolarHBondContact O-CG 3.3Å; D274-K278 PolarHBondContact O-N 3.4Å; D274-K278 WeakPolarHBondContact OD1-CE 3.31Å; D274-K278 IonicContact OD1-NZ 3.15Å; D274-K278 PolarHBondContact OD1-NZ 3.46Å; D274-K278 WeakPolarHBondContact OD2-CE 3.31Å; D274-K278 IonicContact OD2-NZ 2.74Å; D274-K278 PolarHBondContact OD2-NZ 3.01Å
275F96.6Very high93.9Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-57.4-49.4172.7176.1-98.6000112.7I217 N220 L224 C271 A272 V273 L279 F308I217-F275 HydrophobicContact CG2-CD2 4.18Å; I217-F275 HydrophobicContact CG2-CE2 3.68Å; I217-F275 HydrophobicContact CG2-CZ 4.48Å; I217-F275 WeakPolarHBondContact O-CE2 3.48Å; N220-F275 HydrophobicContact CB-CB 3.89Å; N220-F275 HydrophobicContact CB-CD2 3.75Å; N220-F275 HydrophobicContact CB-CG 4.28Å; L224-F275 HydrophobicContact CD1-CB 4.33Å; L224-F275 HydrophobicContact CD1-CD1 4.06Å; L224-F275 HydrophobicContact CD1-CD2 4.33Å; L224-F275 HydrophobicContact CD1-CE1 4.45Å; L224-F275 HydrophobicContact CD1-CG 3.98Å; C271-F275 VanDerWaalsContact O-CB 3.26Å; C271-F275 WeakPolarHBondContact O-CB 3.34Å; C271-F275 PolarHBondContact O-N 3.02Å; A272-F275 WeakPolarHBondContact O-CB 3.22Å; A272-F275 PolarHBondContact O-N 3.4Å; V273-F275 VanDerWaalsContact C-N 3.28Å; V273-F275 PolarHBondContact O-N 3.19Å; F275-L279 HydrophobicContact CD1-CD1 3.71Å; F275-L279 HydrophobicContact CE1-CD1 3.22Å; F275-L279 HydrophobicContact CE1-CG 4.26Å; F275-L279 HydrophobicContact CE2-CD1 4.35Å; F275-L279 HydrophobicContact CG-CD1 4.45Å; F275-L279 HydrophobicContact CZ-CD1 3.61Å; F275-L279 HydrophobicContact CZ-CG 4.33Å; F275-L279 WeakPolarHBondContact O-CB 3.38Å; F275-L279 WeakPolarHBondContact O-CG 3.34Å; F275-L279 PolarHBondContact O-N 3.24Å; F275-F308 HydrophobicContact CE2-CB 4.47Å; F275-F308 HydrophobicContact CZ-CB 4.02Å; F275-F308 WeakPolarHBondContact CZ-O 3.48Å
276F97.8Very high94.7Very high0 Ų029.1 Ų29.10%015%0.148CC..Hα-helixtrans-70.9-36.7-179.9-69.3-58.3000112.5A272 V273 L279 K280 L309 V313 T316 I326 A327 T330 W362A272-F276 HydrophobicContact CB-CE2 4.45Å; A272-F276 WeakPolarHBondContact O-CD2 3.5Å; A272-F276 PolarHBondContact O-N 3.45Å; A272-F276 VanDerWaalsContact O-N 3.11Å; V273-F276 PolarHBondContact O-N 2.83Å; F276-L279 HydrophobicContact CD1-CD1 4.08Å; F276-L279 PolarHBondContact O-N 3.24Å; F276-K280 WeakPolarHBondContact O-CG 3.45Å; F276-K280 PolarHBondContact O-N 3.04Å; F276-L309 HydrophobicContact CD1-CD1 3.99Å; F276-L309 HydrophobicContact CE1-CD1 4.03Å; F276-V313 HydrophobicContact CE1-CG2 4.14Å; F276-V313 HydrophobicContact CZ-CG2 4.48Å; F276-T316 HydrophobicContact CE2-CG2 4.15Å; F276-T316 HydrophobicContact CZ-CG2 4.42Å; F276-I326 HydrophobicContact CD2-CG2 4.05Å; F276-I326 HydrophobicContact CE2-CB 4.43Å; F276-I326 HydrophobicContact CE2-CG2 4.03Å; F276-A327 HydrophobicContact CD1-CB 4.14Å; F276-A327 HydrophobicContact CD2-CB 4.12Å; F276-A327 HydrophobicContact CE1-CB 3.7Å; F276-A327 HydrophobicContact CE2-CB 3.69Å; F276-A327 HydrophobicContact CG-CB 4.35Å; F276-A327 HydrophobicContact CZ-CB 3.47Å; F276-A327 VanDerWaalsContact CZ-CB 3.47Å; F276-T330 HydrophobicContact CB-CG2 3.67Å; F276-T330 WeakPolarHBondContact CB-OG1 3.39Å; F276-W362 HydrophobicContact CB-CZ2 4.09Å; F276-W362 HydrophobicContact CD1-CH2 4.31Å; F276-W362 HydrophobicContact CD1-CZ2 4.03Å; F276-W362 HydrophobicContact CG-CZ2 4.36Å
277E97.8Very high94.9Very high47 Ų4724.3 Ų24.322%0.2213%0.125CC..Hα-helixtrans-63.3-44.8176.2-68.1-174.1152.900110.5V273 D274 K280 F281 T330 Y332 P333 Y376V273-E277 HydrophobicContact CG1-CG 4.13Å; V273-E277 WeakPolarHBondContact O-CG 3.35Å; V273-E277 PolarHBondContact O-N 3.39Å; D274-E277 PolarHBondContact O-N 2.68Å; E277-K280 PolarHBondContact O-N 3.18Å; E277-F281 WeakPolarHBondContact O-CB 3.47Å; E277-F281 PolarHBondContact O-N 3.06Å; E277-T330 HydrophobicContact CB-CG2 4.34Å; E277-T330 HydrophobicContact CG-CG2 3.48Å; E277-T330 VanDerWaalsContact CG-CG2 3.48Å; E277-Y332 WeakPolarHBondContact CG-O 3.16Å; E277-P333 WeakPolarHBondContact O-CD 3.24Å; E277-Y376 HydrophobicContact CB-CE2 3.95Å; E277-Y376 HydrophobicContact CG-CE2 4.47Å
278K97.3Very high95Very high4 Ų420.2 Ų20.22%0.01710%0.098CC..Hα-helixtrans-68.2-35.5176.4-72.3173.3-179.3158.20112.9D216 I217 D274 F281 A282 H379D216-K278 HydrophobicContact CB-CD 3.61Å; D216-K278 WeakPolarHBondContact OD2-CE 3.42Å; D216-K278 IonicContact OD2-NZ 2.7Å; D216-K278 PolarHBondContact OD2-NZ 3.05Å; I217-K278 HydrophobicContact CD1-CB 4.2Å; I217-K278 HydrophobicContact CG1-CB 3.79Å; D274-K278 WeakPolarHBondContact O-CB 3.44Å; D274-K278 WeakPolarHBondContact O-CG 3.3Å; D274-K278 PolarHBondContact O-N 3.4Å; D274-K278 WeakPolarHBondContact OD1-CE 3.31Å; D274-K278 IonicContact OD1-NZ 3.15Å; D274-K278 PolarHBondContact OD1-NZ 3.46Å; D274-K278 WeakPolarHBondContact OD2-CE 3.31Å; D274-K278 IonicContact OD2-NZ 2.74Å; D274-K278 PolarHBondContact OD2-NZ 3.01Å; K278-F281 PolarHBondContact O-N 3.35Å; K278-A282 VanDerWaalsContact O-CB 3.29Å; K278-A282 WeakPolarHBondContact O-CB 3.32Å; K278-A282 PolarHBondContact O-N 3.26Å; K278-H379 WeakPolarHBondContact CE-O 3.44Å; K278-H379 PolarHBondContact NZ-O 3.27Å
279L97.5Very high94.9Very high3 Ų319.1 Ų19.12%0.0169%0.092CC..Hα-helixtrans-58.2-48.1170.7-83.5170.9000111.6I217 F275 F276 F281 A282 C283 L305 F308 L309 W362I217-L279 HydrophobicContact CD1-CD2 4.14Å; I217-L279 HydrophobicContact CD1-CG 4.3Å; I217-L279 HydrophobicContact CG1-CG 4.48Å; I217-L279 HydrophobicContact CG2-CD2 4.17Å; I217-L279 HydrophobicContact CG2-CG 4.49Å; F275-L279 HydrophobicContact CD1-CD1 3.71Å; F275-L279 HydrophobicContact CE1-CD1 3.22Å; F275-L279 HydrophobicContact CE1-CG 4.26Å; F275-L279 HydrophobicContact CE2-CD1 4.35Å; F275-L279 HydrophobicContact CG-CD1 4.45Å; F275-L279 HydrophobicContact CZ-CD1 3.61Å; F275-L279 HydrophobicContact CZ-CG 4.33Å; F275-L279 WeakPolarHBondContact O-CB 3.38Å; F275-L279 WeakPolarHBondContact O-CG 3.34Å; F275-L279 PolarHBondContact O-N 3.24Å; F276-L279 HydrophobicContact CD1-CD1 4.08Å; F276-L279 PolarHBondContact O-N 3.24Å; L279-F281 VanDerWaalsContact C-N 3.34Å; L279-F281 PolarHBondContact O-N 2.94Å; L279-A282 PolarHBondContact O-N 3.1Å; L279-C283 PolarHBondContact O-N 3.45Å; L279-C283 PolarHBondContact O-SG 3.44Å; L279-L305 HydrophobicContact CD2-CD1 3.39Å; L279-L305 HydrophobicContact CD2-CD2 4.33Å; L279-L305 HydrophobicContact CD2-CG 3.49Å; L279-L305 VanDerWaalsContact CD2-CG 3.49Å; L279-F308 HydrophobicContact CD2-CB 4.28Å; L279-L309 HydrophobicContact CD1-CB 4.16Å; L279-L309 HydrophobicContact CD1-CD1 3.9Å; L279-W362 HydrophobicContact CB-CH2 4.39Å
280K97.9Very high94.4Very high0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-62.6-43177.4-7217969.4176.90111.4F276 E277 C283 I284 T330 I331 P333 L335 A361 W362F276-K280 WeakPolarHBondContact O-CG 3.45Å; F276-K280 PolarHBondContact O-N 3.04Å; E277-K280 PolarHBondContact O-N 3.18Å; K280-C283 WeakPolarHBondContact O-CB 3.49Å; K280-C283 PolarHBondContact O-N 3.48Å; K280-I284 PolarHBondContact O-N 3.35Å; K280-I284 VanDerWaalsContact O-N 3.17Å; K280-T330 HydrophobicContact CD-CG2 4.26Å; K280-T330 PolarHBondContact NZ-O 2.83Å; K280-I331 VanDerWaalsContact NZ-C 3.26Å; K280-I331 PolarHBondContact NZ-O 2.91Å; K280-P333 HydrophobicContact CB-CG 3.88Å; K280-P333 WeakPolarHBondContact CE-O 3.39Å; K280-P333 PolarHBondContact NZ-O 3.22Å; K280-L335 HydrophobicContact CB-CD2 4.1Å; K280-L335 HydrophobicContact CG-CD2 4.49Å; K280-A361 PolarHBondContact NZ-O 3.32Å; K280-W362 HydrophobicContact CD-CD2 4.13Å; K280-W362 HydrophobicContact CD-CE3 4.22Å; K280-W362 HydrophobicContact CD-CH2 4.01Å; K280-W362 HydrophobicContact CD-CZ2 3.91Å; K280-W362 HydrophobicContact CD-CZ3 4.17Å; K280-W362 HydrophobicContact CG-CD2 4.24Å; K280-W362 HydrophobicContact CG-CE3 3.83Å; K280-W362 HydrophobicContact CG-CH2 3.44Å; K280-W362 VanDerWaalsContact CG-CH2 3.44Å; K280-W362 HydrophobicContact CG-CZ2 3.88Å; K280-W362 HydrophobicContact CG-CZ3 3.41Å; K280-W362 VanDerWaalsContact CG-CZ3 3.41Å
281F98.1Very high93.4Very high5 Ų515.8 Ų15.82%0.0228%0.083CC..Hα-helixtrans-65.8-40178.2-170.6-118000112.7L209 C213 E277 K278 L279 C283 I284 L285 P333 Y376 P378 L395 F396L209-F281 HydrophobicContact CD2-CE1 3.68Å; L209-F281 HydrophobicContact CD2-CZ 3.66Å; L209-F281 HydrophobicContact CG-CE1 3.98Å; L209-F281 HydrophobicContact CG-CZ 4.46Å; C213-F281 WeakPolarHBondContact SG-CD1 3.49Å; E277-F281 WeakPolarHBondContact O-CB 3.47Å; E277-F281 PolarHBondContact O-N 3.06Å; K278-F281 PolarHBondContact O-N 3.35Å; L279-F281 VanDerWaalsContact C-N 3.34Å; L279-F281 PolarHBondContact O-N 2.94Å; F281-C283 VanDerWaalsContact C-N 3.32Å; F281-C283 PolarHBondContact O-N 3.26Å; F281-I284 HydrophobicContact CD2-CD1 4.43Å; F281-I284 WeakPolarHBondContact O-CB 3.38Å; F281-I284 PolarHBondContact O-N 3.11Å; F281-L285 HydrophobicContact CD1-CD1 4.08Å; F281-L285 HydrophobicContact CE1-CD1 3.68Å; F281-L285 HydrophobicContact CE1-CG 4.19Å; F281-L285 HydrophobicContact CZ-CD1 4.18Å; F281-L285 HydrophobicContact CZ-CD2 4.27Å; F281-L285 HydrophobicContact CZ-CG 4.25Å; F281-L285 PolarHBondContact O-N 3.25Å; F281-P333 HydrophobicContact CB-CG 3.91Å; F281-P333 HydrophobicContact CD2-CG 4.26Å; F281-Y376 HydrophobicContact CB-CD1 4.2Å; F281-Y376 HydrophobicContact CB-CE1 3.68Å; F281-Y376 HydrophobicContact CD1-CE1 4.14Å; F281-Y376 AromaticContact CD2-CD1 3.66Å; F281-Y376 HydrophobicContact CD2-CD1 3.66Å; F281-Y376 AromaticContact CD2-CE1 3.89Å; F281-Y376 HydrophobicContact CD2-CE1 3.89Å; F281-Y376 HydrophobicContact CE2-CD1 4.24Å; F281-Y376 AromaticContact CG-CD1 3.92Å; F281-Y376 HydrophobicContact CG-CD1 3.92Å; F281-Y376 AromaticContact CG-CE1 3.62Å; F281-Y376 HydrophobicContact CG-CE1 3.62Å; F281-P378 HydrophobicContact CD1-CB 4.35Å; F281-P378 HydrophobicContact CD1-CG 4.04Å; F281-P378 HydrophobicContact CE1-CB 4.45Å; F281-P378 HydrophobicContact CE1-CG 3.66Å; F281-P378 HydrophobicContact CZ-CG 4.21Å; F281-L395 HydrophobicContact CE2-CD1 4.12Å; F281-L395 HydrophobicContact CZ-CD1 4.33Å; F281-F396 HydrophobicContact CE2-CE1 4.1Å; F281-F396 HydrophobicContact CE2-CZ 4.45Å; F281-F396 AromaticContact CZ-CE1 3.83Å; F281-F396 HydrophobicContact CZ-CE1 3.83Å; F281-F396 AromaticContact CZ-CZ 3.77Å; F281-F396 HydrophobicContact CZ-CZ 3.77Å
282A97.7Very high92.5Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-61-39.417300000111.9L210 C213 F214 I217 K278 L279 I284 L285 L286 L305L210-A282 HydrophobicContact CD1-CB 4.19Å; C213-A282 HydrophobicContact CB-CB 4.26Å; F214-A282 HydrophobicContact CD1-CB 4.46Å; F214-A282 HydrophobicContact CE1-CB 4.03Å; I217-A282 HydrophobicContact CD1-CB 4.02Å; K278-A282 VanDerWaalsContact O-CB 3.29Å; K278-A282 WeakPolarHBondContact O-CB 3.32Å; K278-A282 PolarHBondContact O-N 3.26Å; L279-A282 PolarHBondContact O-N 3.1Å; A282-I284 VanDerWaalsContact C-N 3.3Å; A282-I284 PolarHBondContact O-N 2.91Å; A282-L285 PolarHBondContact O-N 2.87Å; A282-L286 WeakPolarHBondContact O-CB 3.5Å; A282-L286 VanDerWaalsContact O-CG 3.27Å; A282-L286 WeakPolarHBondContact O-CG 3.49Å; A282-L286 PolarHBondContact O-N 3.02Å; A282-L305 HydrophobicContact CB-CD1 4.31Å; A282-L305 HydrophobicContact CB-CD2 3.8Å
283C96.7Very high91.4Very high3 Ų318 Ų182%0.029%0.09CC..Hα-helixtrans-60.1-38.1171.9-70.90000112.8L279 K280 F281 A287 L305 V339 I343L279-C283 PolarHBondContact O-N 3.45Å; L279-C283 PolarHBondContact O-SG 3.44Å; K280-C283 WeakPolarHBondContact O-CB 3.49Å; K280-C283 PolarHBondContact O-N 3.48Å; F281-C283 VanDerWaalsContact C-N 3.32Å; F281-C283 PolarHBondContact O-N 3.26Å; C283-A287 WeakPolarHBondContact O-CB 3.41Å; C283-A287 PolarHBondContact O-N 3.06Å; C283-L305 VanDerWaalsContact SG-CD2 3.59Å; C283-V339 HydrophobicContact CB-CG1 4.16Å; C283-I343 HydrophobicContact CB-CD1 3.94Å; C283-I343 HydrophobicContact CB-CG1 4.29Å
284I96.9Very high90Very high6 Ų618.8 Ų18.83%0.03110%0.095CC..Hα-helixtrans-62.6-49.5176.1-65.3170.7000110K280 F281 A282 A287 R288 P333 L335 V339 L395K280-I284 PolarHBondContact O-N 3.35Å; K280-I284 VanDerWaalsContact O-N 3.17Å; F281-I284 HydrophobicContact CD2-CD1 4.43Å; F281-I284 WeakPolarHBondContact O-CB 3.38Å; F281-I284 PolarHBondContact O-N 3.11Å; A282-I284 VanDerWaalsContact C-N 3.3Å; A282-I284 PolarHBondContact O-N 2.91Å; I284-A287 PolarHBondContact O-N 3.49Å; I284-R288 HydrophobicContact CG2-CG 4.47Å; I284-R288 WeakPolarHBondContact O-CG 3.02Å; I284-R288 PolarHBondContact O-N 3.14Å; I284-P333 HydrophobicContact CD1-CB 3.64Å; I284-P333 HydrophobicContact CD1-CG 3.61Å; I284-L335 HydrophobicContact CD1-CD2 4.24Å; I284-L335 HydrophobicContact CG1-CD2 4.01Å; I284-V339 HydrophobicContact CB-CG2 4.33Å; I284-V339 HydrophobicContact CG1-CG1 4.23Å; I284-V339 HydrophobicContact CG1-CG2 4.1Å; I284-V339 HydrophobicContact CG2-CG2 4.47Å; I284-L395 HydrophobicContact CG2-CD1 4.42Å
285L96.2Very high88.5Confident0 Ų019.9 Ų19.90%010%0.101CC..Hα-helixtrans-62.4-42.7178.7-67.6174.4000112E206 L209 L210 F281 A282 A287 R288 L289 L395E206-L285 HydrophobicContact CB-CD2 4.39Å; E206-L285 HydrophobicContact CG-CD2 4.45Å; L209-L285 HydrophobicContact CB-CD1 4.29Å; L209-L285 HydrophobicContact CD2-CD1 4.17Å; L209-L285 HydrophobicContact CD2-CD2 4.15Å; L209-L285 HydrophobicContact CG-CD1 4.02Å; L210-L285 HydrophobicContact CB-CB 4.32Å; L210-L285 HydrophobicContact CB-CD1 4.04Å; L210-L285 HydrophobicContact CD1-CB 3.92Å; L210-L285 HydrophobicContact CD1-CD1 4.32Å; F281-L285 HydrophobicContact CD1-CD1 4.08Å; F281-L285 HydrophobicContact CE1-CD1 3.68Å; F281-L285 HydrophobicContact CE1-CG 4.19Å; F281-L285 HydrophobicContact CZ-CD1 4.18Å; F281-L285 HydrophobicContact CZ-CD2 4.27Å; F281-L285 HydrophobicContact CZ-CG 4.25Å; F281-L285 PolarHBondContact O-N 3.25Å; A282-L285 PolarHBondContact O-N 2.87Å; L285-A287 PolarHBondContact O-N 3.38Å; L285-R288 PolarHBondContact O-N 2.8Å; L285-R288 VanDerWaalsContact O-N 3.15Å; L285-L289 VanDerWaalsContact O-CB 3.32Å; L285-L289 WeakPolarHBondContact O-CB 3.33Å; L285-L289 WeakPolarHBondContact O-CG 3.29Å; L285-L289 PolarHBondContact O-N 3.32Å; L285-L395 HydrophobicContact CD2-CD1 4.01Å; L285-L395 HydrophobicContact CD2-CD2 4.04Å
286L93.4Very high87.5Confident0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-60.4-44177.2-74.8171.5000112.6L210 F214 A282 R288 L289 Q290 L293 A298 L301 L305 F342L210-L286 HydrophobicContact CD1-CD2 4.24Å; L210-L286 HydrophobicContact CD1-CG 4.05Å; L210-L286 HydrophobicContact CD2-CD2 3.77Å; L210-L286 HydrophobicContact CD2-CG 4.4Å; F214-L286 HydrophobicContact CZ-CD1 4.35Å; F214-L286 HydrophobicContact CZ-CD2 4.29Å; A282-L286 WeakPolarHBondContact O-CB 3.5Å; A282-L286 VanDerWaalsContact O-CG 3.27Å; A282-L286 WeakPolarHBondContact O-CG 3.49Å; A282-L286 PolarHBondContact O-N 3.02Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 3.17Å; L286-L289 PolarHBondContact O-N 2.86Å; L286-Q290 WeakPolarHBondContact O-CA 3.46Å; L286-Q290 PolarHBondContact O-N 3.32Å; L286-L293 HydrophobicContact CD2-CD1 3.89Å; L286-A298 HydrophobicContact CD2-CB 4.34Å; L286-L301 HydrophobicContact CD1-CB 4.21Å; L286-L301 HydrophobicContact CD2-CB 3.57Å; L286-L301 HydrophobicContact CD2-CD1 3.67Å; L286-L301 HydrophobicContact CD2-CG 4.27Å; L286-L305 HydrophobicContact CD1-CD2 3.91Å; L286-F342 HydrophobicContact CB-CE1 3.83Å; L286-F342 HydrophobicContact CB-CZ 4.05Å
287A88.9Confident86.5Confident1 Ų124.3 Ų24.31%0.00813%0.126CC..Hα-helixtrans-65.8-35.9176.200000111.8C283 I284 L285 Q290 Y338 V339 F342C283-A287 WeakPolarHBondContact O-CB 3.41Å; C283-A287 PolarHBondContact O-N 3.06Å; I284-A287 PolarHBondContact O-N 3.49Å; L285-A287 PolarHBondContact O-N 3.38Å; A287-Q290 WeakPolarHBondContact O-CG 3.29Å; A287-Y338 HydrophobicContact CB-CD2 3.93Å; A287-Y338 HydrophobicContact CB-CE2 3.71Å; A287-V339 HydrophobicContact CB-CB 4.39Å; A287-V339 HydrophobicContact CB-CG2 3.72Å; A287-F342 HydrophobicContact CB-CB 3.75Å; A287-F342 HydrophobicContact CB-CD1 3.55Å; A287-F342 HydrophobicContact CB-CD2 4.15Å; A287-F342 HydrophobicContact CB-CE1 4.15Å; A287-F342 HydrophobicContact CB-CG 3.54Å
288R89.2Confident85.5Confident3 Ų322.2 Ų22.21%0.01112%0.116CC..Hα-helixtrans-70.5-32.6177.9-71.517465.683.80.5113.1E206 I284 L285 L286 Y338 E392 S394 R410 Y411E206-R288 IonicContact OE1-CZ 3.61Å; E206-R288 IonicContact OE1-NE 3.8Å; E206-R288 PolarHBondContact OE1-NE 3.32Å; E206-R288 IonicContact OE1-NH2 2.94Å; E206-R288 PolarHBondContact OE1-NH2 2.74Å; E206-R288 IonicContact OE2-CZ 3.48Å; E206-R288 IonicContact OE2-NE 3.34Å; E206-R288 PolarHBondContact OE2-NE 3.33Å; E206-R288 IonicContact OE2-NH2 3.34Å; I284-R288 HydrophobicContact CG2-CG 4.47Å; I284-R288 WeakPolarHBondContact O-CG 3.02Å; I284-R288 PolarHBondContact O-N 3.14Å; L285-R288 PolarHBondContact O-N 2.8Å; L285-R288 VanDerWaalsContact O-N 3.15Å; L286-R288 VanDerWaalsContact C-N 3.3Å; L286-R288 PolarHBondContact O-N 3.17Å; R288-Y338 HydrophobicContact CG-CE2 4Å; R288-Y338 WeakPolarHBondContact CG-OH 3.46Å; R288-E392 IonicContact CZ-OE2 2.84Å; R288-E392 IonicContact NH1-OE2 3.74Å; R288-E392 IonicContact NH2-OE2 3.21Å; R288-E392 PolarHBondContact NH2-OE2 3.36Å; R288-S394 PolarHBondContact NH1-OG 2.84Å; R288-R410 PolarHBondContact O-NH1 3.42Å; R288-Y411 WeakPolarHBondContact CB-OH 3.18Å; R288-Y411 WeakPolarHBondContact O-CE2 3.43Å; R288-Y411 PolarHBondContact O-OH 3.03Å
289L86.6Confident84.6Confident0 Ų022.9 Ų22.90%012%0.123CC..THydrogen-bonded Turntrans-99.98.2-176.6-65.6168.5000112.9I203 E206 V207 L210 L285 L286 D291 Y292 L293I203-L289 HydrophobicContact CG2-CD2 4.03Å; E206-L289 HydrophobicContact CB-CD1 4.13Å; E206-L289 HydrophobicContact CB-CD2 3.99Å; E206-L289 HydrophobicContact CB-CG 4.33Å; V207-L289 HydrophobicContact CG2-CD1 3.91Å; V207-L289 HydrophobicContact CG2-CD2 4.04Å; L210-L289 HydrophobicContact CB-CD1 4.44Å; L210-L289 HydrophobicContact CD2-CD1 4.16Å; L285-L289 VanDerWaalsContact O-CB 3.32Å; L285-L289 WeakPolarHBondContact O-CB 3.33Å; L285-L289 WeakPolarHBondContact O-CG 3.29Å; L285-L289 PolarHBondContact O-N 3.32Å; L286-L289 PolarHBondContact O-N 2.86Å; L289-D291 PolarHBondContact O-N 3.12Å; L289-Y292 PolarHBondContact O-N 2.86Å; L289-L293 HydrophobicContact CB-CD1 3.76Å; L289-L293 HydrophobicContact CB-CG 3.93Å; L289-L293 WeakPolarHBondContact O-CG 3.2Å; L289-L293 PolarHBondContact O-N 3.22Å; L289-L293 VanDerWaalsContact O-N 3.14Å
290Q80Confident83.8Confident62 Ų6225.9 Ų25.929%0.2914%0.136SC..THydrogen-bonded Turntrans-55.4-33.4-167.470.6179.9-3.900114.6L286 A287 A298 F342L286-Q290 WeakPolarHBondContact O-CA 3.46Å; L286-Q290 PolarHBondContact O-N 3.32Å; A287-Q290 WeakPolarHBondContact O-CG 3.29Å; Q290-A298 HydrophobicContact CB-CB 4.05Å; Q290-F342 HydrophobicContact CB-CD2 4.36Å; Q290-F342 HydrophobicContact CB-CE2 3.83Å; Q290-F342 VanDerWaalsContact OE1-CD2 3.27Å
291D71.6Confident83.4Confident102 Ų10226 Ų2655%0.54514%0.137SC..THydrogen-bonded Turntrans-91.1-8.2-177.4-60.2-56.1000113.1L289L289-D291 PolarHBondContact O-N 3.12Å
292Y74.5Confident83Confident54 Ų5425.7 Ų25.721%0.21214%0.136CC..THydrogen-bonded Turntrans-107.5-16.3-176.6-55.7-78.9000112.9I203 L289 Y411I203-Y292 HydrophobicContact CD1-CD1 3.63Å; I203-Y292 HydrophobicContact CD1-CD2 4.47Å; I203-Y292 HydrophobicContact CD1-CE1 3.45Å; I203-Y292 VanDerWaalsContact CD1-CE1 3.45Å; I203-Y292 HydrophobicContact CD1-CE2 4.35Å; I203-Y292 HydrophobicContact CD1-CG 4.14Å; I203-Y292 HydrophobicContact CG2-CD1 4.48Å; I203-Y292 HydrophobicContact CG2-CG 4.19Å; L289-Y292 PolarHBondContact O-N 2.86Å; Y292-Y411 HydrophobicContact CD2-CD2 4.31Å; Y292-Y411 HydrophobicContact CD2-CE2 4.01Å; Y292-Y411 AromaticContact CE2-CD2 3.37Å; Y292-Y411 HydrophobicContact CE2-CD2 3.37Å; Y292-Y411 AromaticContact CE2-CE2 3.4Å; Y292-Y411 HydrophobicContact CE2-CE2 3.4Å; Y292-Y411 VanDerWaalsContact CE2-CE2 3.4Å; Y292-Y411 AromaticContact CZ-CD2 3.64Å; Y292-Y411 WeakPolarHBondContact OH-CD2 3.46Å
293L72.9Confident82.4Confident9 Ų929.8 Ų29.85%0.04715%0.151CC..  trans-95.8121.3177.1-62.2174.3000110.7V207 L210 L286 L289 N297 A298 L301V207-L293 HydrophobicContact CG2-CD2 4.27Å; L210-L293 HydrophobicContact CD2-CD1 3.94Å; L286-L293 HydrophobicContact CD2-CD1 3.89Å; L289-L293 HydrophobicContact CB-CD1 3.76Å; L289-L293 HydrophobicContact CB-CG 3.93Å; L289-L293 WeakPolarHBondContact O-CG 3.2Å; L289-L293 PolarHBondContact O-N 3.22Å; L289-L293 VanDerWaalsContact O-N 3.14Å; L293-N297 WeakPolarHBondContact O-CA 3.49Å; L293-N297 WeakPolarHBondContact O-CB 3.47Å; L293-A298 HydrophobicContact CB-CB 4.42Å; L293-A298 HydrophobicContact CD1-CB 4.13Å; L293-L301 HydrophobicContact CD1-CD1 3.95Å
294V65.8Low82.1Confident58 Ų5830.4 Ų30.435%0.35215%0.154SC..BIsolated β-bridgetrans-118.3-43.6-172.2-174.20000112.8P296 N297 F455 S457V294-P296 CarbonylContact O-C 3.54Å; V294-N297 PolarHBondContact O-N 3.13Å; V294-N297 VanDerWaalsContact O-N 3.14Å; V294-F455 WeakPolarHBondContact CB-O 3.41Å; V294-S457 WeakPolarHBondContact CG2-OG 3.46Å
295D64.1Low82Confident61 Ų6130.1 Ų30.133%0.32615%0.152SC..THydrogen-bonded Turntrans-13997.3-177-166.820.5000112.1I454D295-I454 VanDerWaalsContact O-CA 3.26Å; D295-I454 WeakPolarHBondContact O-CA 3.35Å
296P77.1Confident81.9Confident22 Ų2230.2 Ų30.214%0.14315%0.153CC..THydrogen-bonded Turncis-71146.6-8.530.2-36.1000112.3V294 H300 L301V294-P296 CarbonylContact O-C 3.54Å; P296-H300 HydrophobicContact CB-CB 4.26Å; P296-L301 HydrophobicContact CB-CD2 4.22Å; P296-L301 HydrophobicContact CB-CG 4.07Å; P296-L301 HydrophobicContact CG-CD1 4.12Å; P296-L301 HydrophobicContact CG-CD2 3.41Å; P296-L301 VanDerWaalsContact CG-CD2 3.41Å; P296-L301 HydrophobicContact CG-CG 3.65Å
297N76.2Confident81.8Confident71 Ų7134.6 Ų34.638%0.3817%0.173SC..BIsolated β-bridgetrans-71162.5173.567.439.8000112.4L293 V294 A299 H300 L301L293-N297 WeakPolarHBondContact O-CA 3.49Å; L293-N297 WeakPolarHBondContact O-CB 3.47Å; V294-N297 PolarHBondContact O-N 3.13Å; V294-N297 VanDerWaalsContact O-N 3.14Å; N297-A299 VanDerWaalsContact C-N 3.26Å; N297-A299 PolarHBondContact O-N 3.47Å; N297-A299 WeakPolarHBondContact OD1-CB 3.42Å; N297-A299 PolarHBondContact OD1-N 2.94Å; N297-H300 WeakPolarHBondContact O-CB 3.46Å; N297-H300 PolarHBondContact O-N 3.39Å; N297-H300 VanDerWaalsContact O-N 3.07Å; N297-H300 WeakPolarHBondContact OD1-CB 3.4Å; N297-H300 PolarHBondContact OD1-N 3.03Å; N297-L301 PolarHBondContact O-N 3.49Å
298A77.7Confident82Confident2 Ų235.7 Ų35.72%0.01718%0.178CC..Hα-helixtrans-60-33.4-176.400000113.8L286 Q290 L293 T302 F342L286-A298 HydrophobicContact CD2-CB 4.34Å; Q290-A298 HydrophobicContact CB-CB 4.05Å; L293-A298 HydrophobicContact CB-CB 4.42Å; L293-A298 HydrophobicContact CD1-CB 4.13Å; A298-T302 WeakPolarHBondContact O-CB 3.46Å; A298-T302 PolarHBondContact O-N 3.34Å; A298-T302 PolarHBondContact O-OG1 2.89Å; A298-F342 HydrophobicContact CB-CE2 4.22Å; A298-F342 HydrophobicContact CB-CZ 3.89Å
299A78.3Confident82.3Confident19 Ų1935.7 Ų35.716%0.15718%0.178CC..Hα-helixtrans-64.7-40.6175.900000112.2N297 R303 N346N297-A299 VanDerWaalsContact C-N 3.26Å; N297-A299 PolarHBondContact O-N 3.47Å; N297-A299 WeakPolarHBondContact OD1-CB 3.42Å; N297-A299 PolarHBondContact OD1-N 2.94Å; A299-R303 WeakPolarHBondContact O-CG 3.1Å; A299-R303 PolarHBondContact O-N 3.36Å; A299-N346 HydrophobicContact CB-CB 4.37Å; A299-N346 WeakPolarHBondContact CB-OD1 3.48Å
300H80.9Confident82.7Confident65 Ų6539.2 Ų39.230%0.30119%0.193SC..Hα-helixtrans-67.4-49.4175.9-170.976.3000111.3P296 N297 T302 R303 Q304P296-H300 HydrophobicContact CB-CB 4.26Å; N297-H300 WeakPolarHBondContact O-CB 3.46Å; N297-H300 PolarHBondContact O-N 3.39Å; N297-H300 VanDerWaalsContact O-N 3.07Å; N297-H300 WeakPolarHBondContact OD1-CB 3.4Å; N297-H300 PolarHBondContact OD1-N 3.03Å; H300-T302 VanDerWaalsContact C-N 3.26Å; H300-T302 PolarHBondContact O-N 3.18Å; H300-R303 PolarHBondContact O-N 3.11Å; H300-R303 VanDerWaalsContact O-N 3.09Å; H300-Q304 PolarHBondContact CD2-NE2 2.63Å; H300-Q304 PolarHBondContact NE2-NE2 2.63Å; H300-Q304 WeakPolarHBondContact O-CG 3.42Å; H300-Q304 PolarHBondContact O-N 3.34Å
301L89.6Confident83.3Confident2 Ų239 Ų391%0.0119%0.19CC..Hα-helixtrans-56.5-40.7175.5-72.4171.2000112F214 L286 L293 P296 N297 R303 Q304 L305 L447F214-L301 HydrophobicContact CE2-CD1 4.49Å; F214-L301 HydrophobicContact CE2-CD2 3.98Å; F214-L301 HydrophobicContact CZ-CB 4.49Å; F214-L301 HydrophobicContact CZ-CD2 4.29Å; L286-L301 HydrophobicContact CD1-CB 4.21Å; L286-L301 HydrophobicContact CD2-CB 3.57Å; L286-L301 HydrophobicContact CD2-CD1 3.67Å; L286-L301 HydrophobicContact CD2-CG 4.27Å; L293-L301 HydrophobicContact CD1-CD1 3.95Å; P296-L301 HydrophobicContact CB-CD2 4.22Å; P296-L301 HydrophobicContact CB-CG 4.07Å; P296-L301 HydrophobicContact CG-CD1 4.12Å; P296-L301 HydrophobicContact CG-CD2 3.41Å; P296-L301 VanDerWaalsContact CG-CD2 3.41Å; P296-L301 HydrophobicContact CG-CG 3.65Å; N297-L301 PolarHBondContact O-N 3.49Å; L301-R303 PolarHBondContact O-N 2.92Å; L301-Q304 PolarHBondContact O-N 3.13Å; L301-L305 WeakPolarHBondContact O-CB 3.46Å; L301-L305 PolarHBondContact O-N 3.39Å; L301-L447 HydrophobicContact CD2-CD1 3.4Å
302T88.7Confident84.4Confident0 Ų034.1 Ų34.10%016%0.164CC..Hα-helixtrans-61.1-45.7176-580000111.2A298 H300 Q304 L305 F306 F342 N346 L347A298-T302 WeakPolarHBondContact O-CB 3.46Å; A298-T302 PolarHBondContact O-N 3.34Å; A298-T302 PolarHBondContact O-OG1 2.89Å; H300-T302 VanDerWaalsContact C-N 3.26Å; H300-T302 PolarHBondContact O-N 3.18Å; T302-Q304 VanDerWaalsContact C-N 3.32Å; T302-Q304 PolarHBondContact O-N 3.09Å; T302-L305 WeakPolarHBondContact O-CB 3.27Å; T302-L305 PolarHBondContact O-N 3.46Å; T302-F306 HydrophobicContact CG2-CD2 4.05Å; T302-F306 HydrophobicContact CG2-CE2 3.95Å; T302-F306 VanDerWaalsContact O-CD2 3.22Å; T302-F306 WeakPolarHBondContact O-CD2 2.9Å; T302-F306 PolarHBondContact O-N 3.47Å; T302-F342 HydrophobicContact CG2-CE1 4.25Å; T302-F342 WeakPolarHBondContact OG1-CE1 3.23Å; T302-F342 VanDerWaalsContact OG1-CZ 3.28Å; T302-F342 WeakPolarHBondContact OG1-CZ 3.37Å; T302-N346 HydrophobicContact CG2-CB 4.34Å; T302-L347 HydrophobicContact CG2-CD2 4.38Å
303R86Confident85.3Confident85 Ų8532.2 Ų32.232%0.32116%0.158SC..Hα-helixtrans-62.6-40.5178.2-72.4-178.3-68.2165.3-4112.4A299 H300 L301 L305 F306 E307 N346A299-R303 WeakPolarHBondContact O-CG 3.1Å; A299-R303 PolarHBondContact O-N 3.36Å; H300-R303 PolarHBondContact O-N 3.11Å; H300-R303 VanDerWaalsContact O-N 3.09Å; L301-R303 PolarHBondContact O-N 2.92Å; R303-L305 VanDerWaalsContact C-N 3.34Å; R303-F306 PolarHBondContact O-N 2.85Å; R303-E307 PolarHBondContact O-N 2.93Å; R303-N346 WeakPolarHBondContact CG-O 3.26Å
304Q90.4Very high86.2Confident16 Ų1636.2 Ų36.28%0.07518%0.179CC..Hα-helixtrans-62.7-42.8174.4-66.3174.9-21.800111.2H300 L301 T302 F306 E307 F308 F448H300-Q304 PolarHBondContact CD2-NE2 2.63Å; H300-Q304 PolarHBondContact NE2-NE2 2.63Å; H300-Q304 WeakPolarHBondContact O-CG 3.42Å; H300-Q304 PolarHBondContact O-N 3.34Å; L301-Q304 PolarHBondContact O-N 3.13Å; T302-Q304 VanDerWaalsContact C-N 3.32Å; T302-Q304 PolarHBondContact O-N 3.09Å; Q304-F306 PolarHBondContact O-N 3.13Å; Q304-E307 VanDerWaalsContact O-CB 3.3Å; Q304-E307 WeakPolarHBondContact O-CB 3.1Å; Q304-E307 PolarHBondContact O-N 3.34Å; Q304-F308 WeakPolarHBondContact O-CD2 3.17Å; Q304-F448 HydrophobicContact CB-CE2 3.7Å; Q304-F448 HydrophobicContact CB-CZ 3.67Å; Q304-F448 HydrophobicContact CG-CD2 4.36Å; Q304-F448 HydrophobicContact CG-CE1 4.48Å; Q304-F448 HydrophobicContact CG-CE2 3.37Å; Q304-F448 HydrophobicContact CG-CZ 3.41Å; Q304-F448 VanDerWaalsContact CG-CZ 3.41Å
305L94.2Very high87.4Confident1 Ų134.6 Ų34.61%0.00517%0.173CC..Hα-helixtrans-58.7-35.6176.1-162.365.1000112.3F214 I217 L279 A282 C283 L286 L301 T302 R303 E307 F308 L309F214-L305 HydrophobicContact CD1-CD1 4.16Å; F214-L305 HydrophobicContact CE1-CD1 3.78Å; I217-L305 HydrophobicContact CD1-CD1 3.91Å; L279-L305 HydrophobicContact CD2-CD1 3.39Å; L279-L305 HydrophobicContact CD2-CD2 4.33Å; L279-L305 HydrophobicContact CD2-CG 3.49Å; L279-L305 VanDerWaalsContact CD2-CG 3.49Å; A282-L305 HydrophobicContact CB-CD1 4.31Å; A282-L305 HydrophobicContact CB-CD2 3.8Å; C283-L305 VanDerWaalsContact SG-CD2 3.59Å; L286-L305 HydrophobicContact CD1-CD2 3.91Å; L301-L305 WeakPolarHBondContact O-CB 3.46Å; L301-L305 PolarHBondContact O-N 3.39Å; T302-L305 WeakPolarHBondContact O-CB 3.27Å; T302-L305 PolarHBondContact O-N 3.46Å; R303-L305 VanDerWaalsContact C-N 3.34Å; L305-E307 VanDerWaalsContact C-N 3.33Å; L305-E307 PolarHBondContact O-N 3.07Å; L305-F308 WeakPolarHBondContact O-CB 3.06Å; L305-F308 PolarHBondContact O-N 3.41Å; L305-L309 PolarHBondContact O-N 3.21Å
306F93.9Very high88.7Confident2 Ų232.7 Ų32.71%0.00916%0.163CC..Hα-helixtrans-74.4-19.3177.8-86-107.2000114T302 R303 Q304 L309 K310 I343 L347 Y351 W355T302-F306 HydrophobicContact CG2-CD2 4.05Å; T302-F306 HydrophobicContact CG2-CE2 3.95Å; T302-F306 VanDerWaalsContact O-CD2 3.22Å; T302-F306 WeakPolarHBondContact O-CD2 2.9Å; T302-F306 PolarHBondContact O-N 3.47Å; R303-F306 PolarHBondContact O-N 2.85Å; Q304-F306 PolarHBondContact O-N 3.13Å; F306-L309 HydrophobicContact CD1-CD2 3.58Å; F306-L309 HydrophobicContact CE1-CD2 3.48Å; F306-L309 VanDerWaalsContact CE1-CD2 3.48Å; F306-L309 HydrophobicContact CG-CD2 4.31Å; F306-L309 HydrophobicContact CZ-CD2 4.18Å; F306-L309 PolarHBondContact O-N 2.98Å; F306-K310 WeakPolarHBondContact O-CB 3.42Å; F306-K310 PolarHBondContact O-N 2.93Å; F306-I343 HydrophobicContact CE1-CG2 4.22Å; F306-I343 HydrophobicContact CE2-CG2 4.1Å; F306-I343 HydrophobicContact CZ-CG1 4.43Å; F306-I343 HydrophobicContact CZ-CG2 3.45Å; F306-I343 VanDerWaalsContact CZ-CG2 3.45Å; F306-L347 HydrophobicContact CB-CD2 4.09Å; F306-L347 HydrophobicContact CD1-CD1 3.83Å; F306-L347 HydrophobicContact CD1-CD2 3.47Å; F306-L347 VanDerWaalsContact CD1-CD2 3.47Å; F306-L347 HydrophobicContact CD1-CG 4.29Å; F306-L347 HydrophobicContact CD2-CD2 3.51Å; F306-L347 HydrophobicContact CE1-CD1 3.43Å; F306-L347 VanDerWaalsContact CE1-CD1 3.43Å; F306-L347 HydrophobicContact CE1-CD2 3.69Å; F306-L347 HydrophobicContact CE1-CG 4.17Å; F306-L347 HydrophobicContact CE2-CD2 3.7Å; F306-L347 HydrophobicContact CG-CD2 3.37Å; F306-L347 HydrophobicContact CZ-CD1 3.84Å; F306-L347 HydrophobicContact CZ-CD2 3.79Å; F306-L347 HydrophobicContact CZ-CG 4.32Å; F306-Y351 HydrophobicContact CB-CD1 4.32Å; F306-Y351 HydrophobicContact CB-CD2 3.89Å; F306-Y351 HydrophobicContact CB-CE2 4.39Å; F306-Y351 HydrophobicContact CB-CG 3.88Å; F306-W355 HydrophobicContact CE1-CB 3.9Å; F306-W355 AromaticContact CE1-CD1 3.97Å; F306-W355 HydrophobicContact CE1-CG 4.03Å; F306-W355 HydrophobicContact CZ-CG 4.45Å
307E90.8Very high89.3Confident91 Ų9137.2 Ų37.243%0.42518%0.177SC..Hα-helixtrans-65.1-43.5166.5-69.8173.6-16700111R303 Q304 L305 K310 Y311 Y351R303-E307 PolarHBondContact O-N 2.93Å; Q304-E307 VanDerWaalsContact O-CB 3.3Å; Q304-E307 WeakPolarHBondContact O-CB 3.1Å; Q304-E307 PolarHBondContact O-N 3.34Å; L305-E307 VanDerWaalsContact C-N 3.33Å; L305-E307 PolarHBondContact O-N 3.07Å; E307-K310 PolarHBondContact O-N 2.85Å; E307-Y311 PolarHBondContact O-N 3.39Å; E307-Y311 VanDerWaalsContact O-N 3.1Å; E307-Y351 HydrophobicContact CG-CE2 4.48Å; E307-Y351 WeakPolarHBondContact CG-OH 3.35Å
308F93.9Very high89.8Confident25 Ų2536.3 Ų36.311%0.1117%0.172CC..Hα-helixtrans-63.6-44.2173.4-72.1-86.7000111.3I217 Y221 F275 L279 Q304 L305 K310 Y311 G312 L447I217-F308 HydrophobicContact CG2-CB 4.32Å; I217-F308 HydrophobicContact CG2-CD1 4.26Å; I217-F308 HydrophobicContact CG2-CG 4.26Å; Y221-F308 HydrophobicContact CD1-CD1 4.35Å; Y221-F308 AromaticContact CD1-CE1 3.98Å; Y221-F308 HydrophobicContact CD1-CE1 3.98Å; Y221-F308 AromaticContact CD2-CD1 3.53Å; Y221-F308 HydrophobicContact CD2-CD1 3.53Å; Y221-F308 AromaticContact CD2-CE1 3.98Å; Y221-F308 HydrophobicContact CD2-CE1 3.98Å; Y221-F308 HydrophobicContact CE1-CE1 4.47Å; Y221-F308 HydrophobicContact CE2-CD1 4.13Å; Y221-F308 HydrophobicContact CE2-CE1 4.41Å; Y221-F308 AromaticContact CG-CD1 3.67Å; Y221-F308 HydrophobicContact CG-CD1 3.67Å; Y221-F308 AromaticContact CG-CE1 3.75Å; Y221-F308 HydrophobicContact CG-CE1 3.75Å; F275-F308 HydrophobicContact CE2-CB 4.47Å; F275-F308 HydrophobicContact CZ-CB 4.02Å; F275-F308 WeakPolarHBondContact CZ-O 3.48Å; L279-F308 HydrophobicContact CD2-CB 4.28Å; Q304-F308 WeakPolarHBondContact O-CD2 3.17Å; L305-F308 WeakPolarHBondContact O-CB 3.06Å; L305-F308 PolarHBondContact O-N 3.41Å; F308-K310 PolarHBondContact O-N 3.05Å; F308-Y311 PolarHBondContact O-N 2.65Å; F308-G312 PolarHBondContact O-N 2.74Å; F308-L447 HydrophobicContact CE2-CD2 3.65Å; F308-L447 HydrophobicContact CZ-CD2 4.29Å
309L96Very high90.1Very high2 Ų240.7 Ų40.71%0.0120%0.201CC..Hα-helixtrans-56.4-49.6175.9-179.766.2000111.4F276 L279 L305 F306 Y311 G312 V313 L354 L358 W362F276-L309 HydrophobicContact CD1-CD1 3.99Å; F276-L309 HydrophobicContact CE1-CD1 4.03Å; L279-L309 HydrophobicContact CD1-CB 4.16Å; L279-L309 HydrophobicContact CD1-CD1 3.9Å; L305-L309 PolarHBondContact O-N 3.21Å; F306-L309 HydrophobicContact CD1-CD2 3.58Å; F306-L309 HydrophobicContact CE1-CD2 3.48Å; F306-L309 VanDerWaalsContact CE1-CD2 3.48Å; F306-L309 HydrophobicContact CG-CD2 4.31Å; F306-L309 HydrophobicContact CZ-CD2 4.18Å; F306-L309 PolarHBondContact O-N 2.98Å; L309-Y311 VanDerWaalsContact C-N 3.32Å; L309-Y311 PolarHBondContact O-N 3.37Å; L309-G312 PolarHBondContact O-N 2.8Å; L309-V313 HydrophobicContact CD1-CG2 4.27Å; L309-V313 HydrophobicContact CG-CG2 4.45Å; L309-V313 VanDerWaalsContact O-CG2 3.3Å; L309-V313 WeakPolarHBondContact O-CG2 3.17Å; L309-V313 PolarHBondContact O-N 3.29Å; L309-L354 HydrophobicContact CD2-CD2 4.42Å; L309-L354 HydrophobicContact CG-CD2 4.35Å; L309-L358 HydrophobicContact CD1-CD1 4.1Å; L309-L358 HydrophobicContact CD2-CD1 4.03Å; L309-L358 HydrophobicContact CG-CD1 4.42Å; L309-W362 HydrophobicContact CD1-CH2 3.52Å; L309-W362 HydrophobicContact CD1-CZ2 4.07Å; L309-W362 HydrophobicContact CD1-CZ3 3.93Å; L309-W362 HydrophobicContact CD2-CZ3 4.3Å
310K94.4Very high90.5Very high75 Ų7548 Ų4833%0.32623%0.229SC..Hα-helixtrans-54.3-50177.4-178.3179.3172.4-175.50111.2F306 E307 F308 G312 V313 D314 E350 Y351 L354F306-K310 WeakPolarHBondContact O-CB 3.42Å; F306-K310 PolarHBondContact O-N 2.93Å; E307-K310 PolarHBondContact O-N 2.85Å; F308-K310 PolarHBondContact O-N 3.05Å; K310-G312 PolarHBondContact O-N 3.39Å; K310-V313 PolarHBondContact O-N 3.22Å; K310-D314 PolarHBondContact O-N 3.12Å; K310-E350 WeakPolarHBondContact CE-OE1 3.07Å; K310-E350 IonicContact NZ-OE1 3.56Å; K310-E350 PolarHBondContact NZ-OE1 3.47Å; K310-Y351 HydrophobicContact CD-CE1 4.16Å; K310-L354 VanDerWaalsContact CA-CD2 3.48Å; K310-L354 HydrophobicContact CB-CD2 3.65Å; K310-L354 HydrophobicContact CG-CD2 4.17Å
311Y92.9Very high90.9Very high56 Ų5648.1 Ų48.122%0.2224%0.235CC..Hα-helixtrans-60.9-45.9177.9-174.8-91.4000112.7Y221 K225 T228 E307 F308 L309 V313 D314 A315Y221-Y311 AromaticContact CD2-CD1 3.44Å; Y221-Y311 HydrophobicContact CD2-CD1 3.44Å; Y221-Y311 VanDerWaalsContact CD2-CD1 3.44Å; Y221-Y311 HydrophobicContact CD2-CE1 4.07Å; Y221-Y311 AromaticContact CD2-CG 3.97Å; Y221-Y311 HydrophobicContact CD2-CG 3.97Å; Y221-Y311 AromaticContact CE2-CD1 3.17Å; Y221-Y311 HydrophobicContact CE2-CD1 3.17Å; Y221-Y311 AromaticContact CE2-CD2 3.95Å; Y221-Y311 HydrophobicContact CE2-CD2 3.95Å; Y221-Y311 AromaticContact CE2-CE1 3.79Å; Y221-Y311 HydrophobicContact CE2-CE1 3.79Å; Y221-Y311 HydrophobicContact CE2-CE2 4.47Å; Y221-Y311 AromaticContact CE2-CG 3.3Å; Y221-Y311 HydrophobicContact CE2-CG 3.3Å; K225-Y311 WeakPolarHBondContact CA-OH 3.27Å; K225-Y311 HydrophobicContact CB-CE1 3.93Å; K225-Y311 WeakPolarHBondContact CB-OH 3.38Å; K225-Y311 WeakPolarHBondContact CG-OH 3.42Å; T228-Y311 PolarHBondContact OG1-OH 2.8Å; T228-Y311 VanDerWaalsContact OG1-OH 3.08Å; E307-Y311 PolarHBondContact O-N 3.39Å; E307-Y311 VanDerWaalsContact O-N 3.1Å; F308-Y311 PolarHBondContact O-N 2.65Å; L309-Y311 VanDerWaalsContact C-N 3.32Å; L309-Y311 PolarHBondContact O-N 3.37Å; Y311-V313 VanDerWaalsContact C-N 3.32Å; Y311-V313 PolarHBondContact O-N 3.09Å; Y311-D314 PolarHBondContact O-N 3.23Å; Y311-A315 HydrophobicContact CD1-CB 4.38Å; Y311-A315 HydrophobicContact CE1-CB 4.03Å; Y311-A315 VanDerWaalsContact O-CB 3.28Å; Y311-A315 WeakPolarHBondContact O-CB 3.3Å; Y311-A315 PolarHBondContact O-N 2.89Å
312G93.6Very high90.7Very high0 Ų053 Ų530%026%0.261CS..Hα-helixtrans-60.6-41.5179.500000112.3F308 L309 K310 A315 T316F308-G312 PolarHBondContact O-N 2.74Å; L309-G312 PolarHBondContact O-N 2.8Å; K310-G312 PolarHBondContact O-N 3.39Å; G312-A315 PolarHBondContact O-N 2.85Å; G312-T316 WeakPolarHBondContact O-CB 3.43Å; G312-T316 WeakPolarHBondContact O-CG2 3.25Å; G312-T316 PolarHBondContact O-N 3.07Å; G312-T316 VanDerWaalsContact O-N 3.09Å; G312-T316 PolarHBondContact O-OG1 3.19Å
313V94.4Very high90.7Very high15 Ų1560.2 Ų60.29%0.09129%0.288CS..Hα-helixtrans-62.4-46.7175.3172.90000110.7F276 L309 K310 Y311 A315 T316 R317 A327 L354 L358F276-V313 HydrophobicContact CE1-CG2 4.14Å; F276-V313 HydrophobicContact CZ-CG2 4.48Å; L309-V313 HydrophobicContact CD1-CG2 4.27Å; L309-V313 HydrophobicContact CG-CG2 4.45Å; L309-V313 VanDerWaalsContact O-CG2 3.3Å; L309-V313 WeakPolarHBondContact O-CG2 3.17Å; L309-V313 PolarHBondContact O-N 3.29Å; K310-V313 PolarHBondContact O-N 3.22Å; Y311-V313 VanDerWaalsContact C-N 3.32Å; Y311-V313 PolarHBondContact O-N 3.09Å; V313-A315 VanDerWaalsContact C-N 3.33Å; V313-A315 PolarHBondContact O-N 2.84Å; V313-T316 CarbonylContact O-C 3.57Å; V313-T316 PolarHBondContact O-N 3.34Å; V313-T316 PolarHBondContact O-OG1 3.44Å; V313-R317 WeakPolarHBondContact O-CB 3.3Å; V313-R317 PolarHBondContact O-N 3.19Å; V313-A327 HydrophobicContact CG2-CB 4.04Å; V313-L354 HydrophobicContact CB-CD1 4.3Å; V313-L354 HydrophobicContact CG1-CD1 4.07Å; V313-L354 HydrophobicContact CG2-CD1 4.33Å; V313-L358 HydrophobicContact CG2-CD2 3.83Å
314D91.8Very high91.1Very high92 Ų9256.3 Ų56.349%0.49227%0.274SS..Hα-helixtrans-63.2-39.7177.6-73.4-24000111.9K310 Y311 T316 R317K310-D314 PolarHBondContact O-N 3.12Å; Y311-D314 PolarHBondContact O-N 3.23Å; D314-T316 VanDerWaalsContact C-N 3.28Å; D314-T316 PolarHBondContact O-N 2.87Å; D314-R317 VanDerWaalsContact O-CB 3.29Å; D314-R317 WeakPolarHBondContact O-CB 3.18Å; D314-R317 PolarHBondContact O-N 3.12Å
315A89.8Confident91.2Very high25 Ų2559.7 Ų59.721%0.20729%0.292CS..Hα-helixtrans-68.8-25.1-179.800000113.7T228 Y311 G312 V313T228-A315 HydrophobicContact CG2-CB 3.62Å; Y311-A315 HydrophobicContact CD1-CB 4.38Å; Y311-A315 HydrophobicContact CE1-CB 4.03Å; Y311-A315 VanDerWaalsContact O-CB 3.28Å; Y311-A315 WeakPolarHBondContact O-CB 3.3Å; Y311-A315 PolarHBondContact O-N 2.89Å; G312-A315 PolarHBondContact O-N 2.85Å; V313-A315 VanDerWaalsContact C-N 3.33Å; V313-A315 PolarHBondContact O-N 2.84Å
316T91.5Very high91.2Very high21 Ų2160.6 Ų60.613%0.12930%0.297CS..THydrogen-bonded Turntrans-1088.3-178.954.40000112.8A272 F276 G312 V313 D314 N318 S324 I326A272-T316 HydrophobicContact CB-CG2 3.78Å; F276-T316 HydrophobicContact CE2-CG2 4.15Å; F276-T316 HydrophobicContact CZ-CG2 4.42Å; G312-T316 WeakPolarHBondContact O-CB 3.43Å; G312-T316 WeakPolarHBondContact O-CG2 3.25Å; G312-T316 PolarHBondContact O-N 3.07Å; G312-T316 VanDerWaalsContact O-N 3.09Å; G312-T316 PolarHBondContact O-OG1 3.19Å; V313-T316 CarbonylContact O-C 3.57Å; V313-T316 PolarHBondContact O-N 3.34Å; V313-T316 PolarHBondContact O-OG1 3.44Å; D314-T316 VanDerWaalsContact C-N 3.28Å; D314-T316 PolarHBondContact O-N 2.87Å; T316-N318 PolarHBondContact O-N 2.95Å; T316-S324 WeakPolarHBondContact CB-OG 3.17Å; T316-S324 WeakPolarHBondContact OG1-CB 3.45Å; T316-S324 PolarHBondContact OG1-OG 2.89Å; T316-I326 HydrophobicContact CG2-CD1 4.21Å
317R90.4Very high91.3Very high117 Ų11760.5 Ų60.544%0.44230%0.296SS..  trans-67.9125.5-178.3-175.9172.4167.7-107.75.2111V313 D314 N322V313-R317 WeakPolarHBondContact O-CB 3.3Å; V313-R317 PolarHBondContact O-N 3.19Å; D314-R317 VanDerWaalsContact O-CB 3.29Å; D314-R317 WeakPolarHBondContact O-CB 3.18Å; D314-R317 PolarHBondContact O-N 3.12Å; R317-N322 PolarHBondContact NE-OD1 2.71Å; R317-N322 PolarHBondContact NH2-ND2 3.32Å; R317-N322 PolarHBondContact NH2-OD1 2.89Å
318N86.4Confident91.5Very high51 Ų5158.8 Ų58.827%0.27329%0.288SS..BIsolated β-bridgetrans-75124.2172.2-178.8-32.3000109.4T316 K320 T321 N322 R323T316-N318 PolarHBondContact O-N 2.95Å; N318-K320 PolarHBondContact O-N 3.21Å; N318-K320 WeakPolarHBondContact OD1-CB 3.42Å; N318-K320 PolarHBondContact OD1-N 3.02Å; N318-T321 WeakPolarHBondContact CB-OG1 3.42Å; N318-T321 PolarHBondContact O-N 3.08Å; N318-N322 WeakPolarHBondContact O-CA 3.32Å; N318-N322 PolarHBondContact O-N 3.05Å; N318-R323 WeakPolarHBondContact CB-O 3.39Å; N318-R323 PolarHBondContact N-O 3.24Å
319P84.9Confident91.5Very high95 Ų9561 Ų6162%0.61731%0.307SS*.THydrogen-bonded Turntrans-63.9-24.1-177.125-34.4000113.5
320K86.7Confident91.6Very high172 Ų17261 Ų6175%0.74831%0.307SS*.THydrogen-bonded Turntrans-79.8-43.2179.3-62.1-177.2179.6179.70112.6N318N318-K320 PolarHBondContact O-N 3.21Å; N318-K320 WeakPolarHBondContact OD1-CB 3.42Å; N318-K320 PolarHBondContact OD1-N 3.02Å
321T88.2Confident91.7Very high68 Ų6859.3 Ų59.342%0.41730%0.301SS..THydrogen-bonded Turntrans-96.3-11.6-174.961.60000113.1N318 R323N318-T321 WeakPolarHBondContact CB-OG1 3.42Å; N318-T321 PolarHBondContact O-N 3.08Å; T321-R323 PolarHBondContact O-N 3.35Å; T321-R323 PolarHBondContact OG1-N 3.23Å
322N86Confident91.9Very high104 Ų10458.9 Ų58.956%0.55630%0.299SS*.THydrogen-bonded Turntrans57.528.9-174.2-173.12.1000111.7R317 N318R317-N322 PolarHBondContact NE-OD1 2.71Å; R317-N322 PolarHBondContact NH2-ND2 3.32Å; R317-N322 PolarHBondContact NH2-OD1 2.89Å; N318-N322 WeakPolarHBondContact O-CA 3.32Å; N318-N322 PolarHBondContact O-N 3.05Å
323R89.5Confident92Very high152 Ų15259 Ų5957%0.57430%0.3SS*.BIsolated β-bridgetrans-135.6149.9-179.2-66.7-178.4-176.8-165.4-0.3110.4N318 T321N318-R323 WeakPolarHBondContact CB-O 3.39Å; N318-R323 PolarHBondContact N-O 3.24Å; T321-R323 PolarHBondContact O-N 3.35Å; T321-R323 PolarHBondContact OG1-N 3.23Å
324S92.6Very high92.1Very high3 Ų358.4 Ų58.42%0.02130%0.296CS..  trans-90.7100.7169174.80000109.6T316 I326 A327 Q328T316-S324 WeakPolarHBondContact CB-OG 3.17Å; T316-S324 WeakPolarHBondContact OG1-CB 3.45Å; T316-S324 PolarHBondContact OG1-OG 2.89Å; S324-I326 PolarHBondContact O-N 3.36Å; S324-A327 PolarHBondContact O-N 3.1Å; S324-A327 VanDerWaalsContact OG-CB 3.32Å; S324-A327 WeakPolarHBondContact OG-CB 3.48Å; S324-A327 PolarHBondContact OG-N 3.1Å; S324-A327 VanDerWaalsContact OG-N 3.08Å; S324-Q328 WeakPolarHBondContact O-CB 3.35Å; S324-Q328 VanDerWaalsContact O-CG 3.29Å; S324-Q328 WeakPolarHBondContact O-CG 3.1Å; S324-Q328 PolarHBondContact O-N 3.42Å; S324-Q328 VanDerWaalsContact O-N 3.07Å
325N92.8Very high92.3Very high87 Ų8754.1 Ų54.147%0.46527%0.274SS..Hα-helixtrans-62.2-34.4175.2-68-7.8000111S329N325-S329 WeakPolarHBondContact O-CB 3.34Å; N325-S329 PolarHBondContact O-N 2.91Å; N325-S329 PolarHBondContact O-OG 2.84Å
326I94.3Very high92.4Very high20 Ų2053.3 Ų53.310%0.10327%0.266CS..Hα-helixtrans-62.8-53.8179.3-58.8175.8000109.5K269 A272 V273 F276 T316 S324 Q328 S329 T330K269-I326 HydrophobicContact CG-CD1 4.18Å; A272-I326 HydrophobicContact CB-CD1 4.24Å; A272-I326 HydrophobicContact CB-CG2 3.91Å; V273-I326 HydrophobicContact CG2-CG2 3.86Å; F276-I326 HydrophobicContact CD2-CG2 4.05Å; F276-I326 HydrophobicContact CE2-CB 4.43Å; F276-I326 HydrophobicContact CE2-CG2 4.03Å; T316-I326 HydrophobicContact CG2-CD1 4.21Å; S324-I326 PolarHBondContact O-N 3.36Å; I326-Q328 PolarHBondContact O-N 3.15Å; I326-S329 PolarHBondContact O-N 2.85Å; I326-S329 VanDerWaalsContact O-N 3.11Å; I326-S329 PolarHBondContact O-OG 2.78Å; I326-T330 PolarHBondContact O-N 2.78Å; I326-T330 PolarHBondContact O-OG1 3.15Å; I326-T330 VanDerWaalsContact O-OG1 3.12Å
327A95.7Very high92.2Very high0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-59.7-44.4179.600000112.1F276 V313 S324 S329 T330 L358 W362F276-A327 HydrophobicContact CD1-CB 4.14Å; F276-A327 HydrophobicContact CD2-CB 4.12Å; F276-A327 HydrophobicContact CE1-CB 3.7Å; F276-A327 HydrophobicContact CE2-CB 3.69Å; F276-A327 HydrophobicContact CG-CB 4.35Å; F276-A327 HydrophobicContact CZ-CB 3.47Å; F276-A327 VanDerWaalsContact CZ-CB 3.47Å; V313-A327 HydrophobicContact CG2-CB 4.04Å; S324-A327 PolarHBondContact O-N 3.1Å; S324-A327 VanDerWaalsContact OG-CB 3.32Å; S324-A327 WeakPolarHBondContact OG-CB 3.48Å; S324-A327 PolarHBondContact OG-N 3.1Å; S324-A327 VanDerWaalsContact OG-N 3.08Å; A327-S329 VanDerWaalsContact C-N 3.25Å; A327-S329 PolarHBondContact O-N 2.89Å; A327-T330 PolarHBondContact O-N 2.75Å; A327-L358 HydrophobicContact CB-CD2 3.84Å; A327-W362 PolarHBondContact O-NE1 3.41Å
328Q95.7Very high91.9Very high55 Ų5549.9 Ų49.926%0.25726%0.255SS..Hα-helixtrans-65.3-28.9178.5-68.5-173-33.500112.6S324 I326 N357 L358 A361S324-Q328 WeakPolarHBondContact O-CB 3.35Å; S324-Q328 VanDerWaalsContact O-CG 3.29Å; S324-Q328 WeakPolarHBondContact O-CG 3.1Å; S324-Q328 PolarHBondContact O-N 3.42Å; S324-Q328 VanDerWaalsContact O-N 3.07Å; I326-Q328 PolarHBondContact O-N 3.15Å; Q328-N357 PolarHBondContact NE2-O 3.43Å; Q328-L358 HydrophobicContact CG-CD2 4.49Å; Q328-L358 WeakPolarHBondContact CG-O 3.48Å; Q328-A361 WeakPolarHBondContact O-CB 3.42Å
329S94.9Very high92.1Very high71 Ų7147.5 Ų47.550%0.49724%0.242SC..Hα-helixtrans-87.2-3.8178.868.80000114.9N325 I326 A327 I331N325-S329 WeakPolarHBondContact O-CB 3.34Å; N325-S329 PolarHBondContact O-N 2.91Å; N325-S329 PolarHBondContact O-OG 2.84Å; I326-S329 PolarHBondContact O-N 2.85Å; I326-S329 VanDerWaalsContact O-N 3.11Å; I326-S329 PolarHBondContact O-OG 2.78Å; A327-S329 VanDerWaalsContact C-N 3.25Å; A327-S329 PolarHBondContact O-N 2.89Å; S329-I331 PolarHBondContact O-N 2.81Å
330T96.7Very high92.3Very high3 Ų343.3 Ų43.32%0.01821%0.214CC..  trans-77.588179.1-57.40000111.5F276 E277 K280 I326 A327F276-T330 HydrophobicContact CB-CG2 3.67Å; F276-T330 WeakPolarHBondContact CB-OG1 3.39Å; E277-T330 HydrophobicContact CB-CG2 4.34Å; E277-T330 HydrophobicContact CG-CG2 3.48Å; E277-T330 VanDerWaalsContact CG-CG2 3.48Å; K280-T330 HydrophobicContact CD-CG2 4.26Å; K280-T330 PolarHBondContact NZ-O 2.83Å; I326-T330 PolarHBondContact O-N 2.78Å; I326-T330 PolarHBondContact O-OG1 3.15Å; I326-T330 VanDerWaalsContact O-OG1 3.12Å; A327-T330 PolarHBondContact O-N 2.75Å
331I96.5Very high92.2Very high39 Ų3938 Ų3820%0.219%0.194CC..  trans-75.6-39.9-174.6-65.6160.1000112.7K280 S329 P333 L334 A361 Y371K280-I331 VanDerWaalsContact NZ-C 3.26Å; K280-I331 PolarHBondContact NZ-O 2.91Å; S329-I331 PolarHBondContact O-N 2.81Å; I331-P333 CarbonylContact O-C 3.57Å; I331-L334 HydrophobicContact CG2-CD2 3.86Å; I331-A361 HydrophobicContact CG1-CB 4.4Å; I331-Y371 HydrophobicContact CD1-CD1 3.86Å; I331-Y371 HydrophobicContact CD1-CE1 3.46Å; I331-Y371 VanDerWaalsContact CD1-CE1 3.46Å; I331-Y371 HydrophobicContact CD1-CE2 4.38Å; I331-Y371 HydrophobicContact CD1-CG 4.46Å; I331-Y371 HydrophobicContact CG1-CD1 4.45Å; I331-Y371 HydrophobicContact CG1-CD2 4.43Å; I331-Y371 HydrophobicContact CG1-CE1 4.08Å; I331-Y371 HydrophobicContact CG1-CE2 4.09Å; I331-Y371 HydrophobicContact CG2-CD1 4.07Å; I331-Y371 HydrophobicContact CG2-CD2 3.55Å; I331-Y371 HydrophobicContact CG2-CE1 4.48Å; I331-Y371 HydrophobicContact CG2-CE2 4.04Å; I331-Y371 HydrophobicContact CG2-CG 3.58Å
332Y96.6Very high92Very high47 Ų4735.3 Ų35.318%0.18418%0.176CC..PPolyproline II helixtrans-101.6154.8-173.1-61.4-75.2000112.7E277 L334 E372 R374E277-Y332 WeakPolarHBondContact CG-O 3.16Å; Y332-L334 HydrophobicContact CD1-CG 4.24Å; Y332-L334 HydrophobicContact CE1-CD1 4.42Å; Y332-L334 HydrophobicContact CE1-CG 4.23Å; Y332-E372 PolarHBondContact OH-O 3Å; Y332-R374 HydrophobicContact CD1-CB 4.35Å; Y332-R374 HydrophobicContact CE1-CB 3.83Å; Y332-R374 HydrophobicContact CE1-CG 4.18Å
333P97.2Very high92.1Very high1 Ų130.4 Ų30.41%0.00615%0.15CC..SBendcis-60150.3-18.526.4-35.6000112.5E277 K280 F281 I284 I331 Y376E277-P333 WeakPolarHBondContact O-CD 3.24Å; K280-P333 HydrophobicContact CB-CG 3.88Å; K280-P333 WeakPolarHBondContact CE-O 3.39Å; K280-P333 PolarHBondContact NZ-O 3.22Å; F281-P333 HydrophobicContact CB-CG 3.91Å; F281-P333 HydrophobicContact CD2-CG 4.26Å; I284-P333 HydrophobicContact CD1-CB 3.64Å; I284-P333 HydrophobicContact CD1-CG 3.61Å; I331-P333 CarbonylContact O-C 3.57Å; P333-Y376 HydrophobicContact CB-CD1 4.02Å; P333-Y376 HydrophobicContact CB-CG 3.84Å; P333-Y376 HydrophobicContact CG-CD1 4.04Å; P333-Y376 HydrophobicContact CG-CE1 4.45Å; P333-Y376 HydrophobicContact CG-CG 4.21Å
334L96.8Very high91.9Very high3 Ų325.5 Ų25.52%0.01613%0.134CC..PPolyproline II helixtrans-71.8131.7170-66.5175.6000109.7I331 Y332 R366 Y371I331-L334 HydrophobicContact CG2-CD2 3.86Å; Y332-L334 HydrophobicContact CD1-CG 4.24Å; Y332-L334 HydrophobicContact CE1-CD1 4.42Å; Y332-L334 HydrophobicContact CE1-CG 4.23Å; L334-R366 HydrophobicContact CB-CB 3.93Å; L334-R366 HydrophobicContact CB-CG 3.76Å; L334-R366 HydrophobicContact CD1-CG 4.13Å; L334-R366 PolarHBondContact O-NE 3.17Å; L334-R366 VanDerWaalsContact O-NE 3.11Å; L334-R366 PolarHBondContact O-NH2 2.94Å; L334-Y371 HydrophobicContact CD2-CD2 4.2Å
335L95.1Very high91.2Very high3 Ų327.1 Ų27.12%0.01615%0.145CC..PPolyproline II helixtrans-81.7120.3-176.1-57.6-178.9000110.2K280 I284 V339 V340 I343 W362 P365 R366K280-L335 HydrophobicContact CB-CD2 4.1Å; K280-L335 HydrophobicContact CG-CD2 4.49Å; I284-L335 HydrophobicContact CD1-CD2 4.24Å; I284-L335 HydrophobicContact CG1-CD2 4.01Å; L335-V339 HydrophobicContact CB-CG1 4.39Å; L335-V339 HydrophobicContact CD2-CG1 4.03Å; L335-V340 HydrophobicContact CB-CG2 3.91Å; L335-I343 HydrophobicContact CD1-CD1 4.04Å; L335-W362 WeakPolarHBondContact CD1-O 3.39Å; L335-P365 CarbonylContact O-C 3.57Å; L335-P365 WeakPolarHBondContact O-CA 3.32Å; L335-R366 PolarHBondContact O-N 3.39Å
336P91.6Very high90.6Very high8 Ų824 Ų245%0.05213%0.128CC..PPolyproline II helixtrans-68.6160.8174.230.6-34.5000111Y338 V339 V340P336-Y338 VanDerWaalsContact C-N 3.26Å; P336-Y338 HydrophobicContact CB-CD1 3.82Å; P336-Y338 HydrophobicContact CB-CE1 3.61Å; P336-Y338 HydrophobicContact CG-CD1 3.78Å; P336-Y338 HydrophobicContact CG-CE1 3.23Å; P336-Y338 PolarHBondContact O-N 3.09Å; P336-Y338 VanDerWaalsContact O-N 3.15Å; P336-V339 HydrophobicContact CG-CB 4.05Å; P336-V339 HydrophobicContact CG-CG2 3.48Å; P336-V339 VanDerWaalsContact CG-CG2 3.48Å; P336-V339 WeakPolarHBondContact O-CB 3.37Å; P336-V339 PolarHBondContact O-N 3.33Å; P336-V340 PolarHBondContact O-N 2.72Å
337D88.6Confident90Very high47 Ų4724 Ų2425%0.25113%0.129SC..Hα-helixtrans-51.1-44.3-173.6-54-97000112.8V339 V340 L341 P365 K367D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 2.8Å; D337-V340 PolarHBondContact O-N 2.8Å; D337-L341 WeakPolarHBondContact O-CG 3.45Å; D337-L341 PolarHBondContact O-N 3.13Å; D337-P365 HydrophobicContact CB-CB 4.3Å; D337-P365 WeakPolarHBondContact OD1-CB 3.27Å; D337-K367 WeakPolarHBondContact OD2-CD 3.34Å
338Y83.2Confident89.4Confident19 Ų1926.8 Ų26.88%0.07515%0.145CC..Hα-helixtrans-66.6-28.5-17976.5-91.9000113.6A287 R288 P336 F342 D405 Q407A287-Y338 HydrophobicContact CB-CD2 3.93Å; A287-Y338 HydrophobicContact CB-CE2 3.71Å; R288-Y338 HydrophobicContact CG-CE2 4Å; R288-Y338 WeakPolarHBondContact CG-OH 3.46Å; P336-Y338 VanDerWaalsContact C-N 3.26Å; P336-Y338 HydrophobicContact CB-CD1 3.82Å; P336-Y338 HydrophobicContact CB-CE1 3.61Å; P336-Y338 HydrophobicContact CG-CD1 3.78Å; P336-Y338 HydrophobicContact CG-CE1 3.23Å; P336-Y338 PolarHBondContact O-N 3.09Å; P336-Y338 VanDerWaalsContact O-N 3.15Å; Y338-F342 WeakPolarHBondContact O-CB 3.26Å; Y338-F342 PolarHBondContact O-N 3.16Å; Y338-D405 VanDerWaalsContact CE1-OD2 3.29Å; Y338-D405 WeakPolarHBondContact CE1-OD2 3.24Å; Y338-Q407 HydrophobicContact CD1-CG 4.37Å; Y338-Q407 HydrophobicContact CD2-CG 4.44Å; Y338-Q407 HydrophobicContact CG-CG 4.13Å
339V90.7Very high88.9Confident0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-74.9-39.8176.41760000110.2C283 I284 A287 L335 P336 D337 L341 F342 I343C283-V339 HydrophobicContact CB-CG1 4.16Å; I284-V339 HydrophobicContact CB-CG2 4.33Å; I284-V339 HydrophobicContact CG1-CG1 4.23Å; I284-V339 HydrophobicContact CG1-CG2 4.1Å; I284-V339 HydrophobicContact CG2-CG2 4.47Å; A287-V339 HydrophobicContact CB-CB 4.39Å; A287-V339 HydrophobicContact CB-CG2 3.72Å; L335-V339 HydrophobicContact CB-CG1 4.39Å; L335-V339 HydrophobicContact CD2-CG1 4.03Å; P336-V339 HydrophobicContact CG-CB 4.05Å; P336-V339 HydrophobicContact CG-CG2 3.48Å; P336-V339 VanDerWaalsContact CG-CG2 3.48Å; P336-V339 WeakPolarHBondContact O-CB 3.37Å; P336-V339 PolarHBondContact O-N 3.33Å; D337-V339 VanDerWaalsContact C-N 3.28Å; D337-V339 PolarHBondContact O-N 2.8Å; V339-L341 VanDerWaalsContact C-N 3.32Å; V339-L341 PolarHBondContact O-N 3.07Å; V339-F342 PolarHBondContact O-N 2.94Å; V339-I343 HydrophobicContact CG1-CD1 3.93Å; V339-I343 HydrophobicContact CG1-CG1 4.39Å; V339-I343 WeakPolarHBondContact O-CB 3.32Å; V339-I343 VanDerWaalsContact O-CG1 3.26Å; V339-I343 WeakPolarHBondContact O-CG1 3.18Å; V339-I343 PolarHBondContact O-N 3Å
340V89.8Confident88.7Confident7 Ų731.4 Ų31.44%0.04216%0.163CC..Hα-helixtrans-59.8-45.9174.6178.90000110.1L335 P336 D337 I343 Q344 W355 P365L335-V340 HydrophobicContact CB-CG2 3.91Å; P336-V340 PolarHBondContact O-N 2.72Å; D337-V340 PolarHBondContact O-N 2.8Å; V340-I343 PolarHBondContact O-N 2.93Å; V340-Q344 VanDerWaalsContact O-CG 3.31Å; V340-Q344 WeakPolarHBondContact O-CG 3.37Å; V340-Q344 PolarHBondContact O-N 2.84Å; V340-W355 HydrophobicContact CG1-CH2 3.69Å; V340-W355 HydrophobicContact CG1-CZ2 4Å; V340-P365 HydrophobicContact CG2-CG 4.27Å
341L83.8Confident88.5Confident62 Ų6232.6 Ų32.633%0.32517%0.168SC..Hα-helixtrans-65.5-42.7175.3-66.8174.1000112.5T46 Y47 D337 V339 I343 Q344 S345T46-L341 WeakPolarHBondContact O-CD2 3.34Å; Y47-L341 HydrophobicContact CD1-CD2 4.35Å; Y47-L341 HydrophobicContact CE1-CD2 4.11Å; D337-L341 WeakPolarHBondContact O-CG 3.45Å; D337-L341 PolarHBondContact O-N 3.13Å; V339-L341 VanDerWaalsContact C-N 3.32Å; V339-L341 PolarHBondContact O-N 3.07Å; L341-I343 PolarHBondContact O-N 3.16Å; L341-Q344 PolarHBondContact O-N 3.46Å; L341-S345 WeakPolarHBondContact O-CB 3.15Å; L341-S345 PolarHBondContact O-N 3.11Å; L341-S345 PolarHBondContact O-OG 3.15Å; L341-S345 VanDerWaalsContact O-OG 3.13Å
342F84.4Confident88.2Confident10 Ų1033 Ų334%0.04417%0.169CC..Hα-helixtrans-59.2-46.3176.5171.5-99.1000111.5L286 A287 Q290 A298 T302 Y338 V339 S345 N346L286-F342 HydrophobicContact CB-CE1 3.83Å; L286-F342 HydrophobicContact CB-CZ 4.05Å; A287-F342 HydrophobicContact CB-CB 3.75Å; A287-F342 HydrophobicContact CB-CD1 3.55Å; A287-F342 HydrophobicContact CB-CD2 4.15Å; A287-F342 HydrophobicContact CB-CE1 4.15Å; A287-F342 HydrophobicContact CB-CG 3.54Å; Q290-F342 HydrophobicContact CB-CD2 4.36Å; Q290-F342 HydrophobicContact CB-CE2 3.83Å; Q290-F342 VanDerWaalsContact OE1-CD2 3.27Å; A298-F342 HydrophobicContact CB-CE2 4.22Å; A298-F342 HydrophobicContact CB-CZ 3.89Å; T302-F342 HydrophobicContact CG2-CE1 4.25Å; T302-F342 WeakPolarHBondContact OG1-CE1 3.23Å; T302-F342 VanDerWaalsContact OG1-CZ 3.28Å; T302-F342 WeakPolarHBondContact OG1-CZ 3.37Å; Y338-F342 WeakPolarHBondContact O-CB 3.26Å; Y338-F342 PolarHBondContact O-N 3.16Å; V339-F342 PolarHBondContact O-N 2.94Å; F342-S345 PolarHBondContact O-N 2.82Å; F342-S345 PolarHBondContact O-OG 3.45Å; F342-N346 WeakPolarHBondContact CD2-ND2 3.38Å; F342-N346 VanDerWaalsContact CE2-ND2 3.29Å; F342-N346 WeakPolarHBondContact CE2-ND2 3.35Å; F342-N346 PolarHBondContact O-N 3.22Å; F342-N346 PolarHBondContact O-ND2 2.81Å
343I87.7Confident88Confident1 Ų139.2 Ų39.21%0.00519%0.192CC..Hα-helixtrans-59.2-57.4175.1-70166.9000109.1C283 F306 L335 V339 V340 L341 S345 N346 L347 W355C283-I343 HydrophobicContact CB-CD1 3.94Å; C283-I343 HydrophobicContact CB-CG1 4.29Å; F306-I343 HydrophobicContact CE1-CG2 4.22Å; F306-I343 HydrophobicContact CE2-CG2 4.1Å; F306-I343 HydrophobicContact CZ-CG1 4.43Å; F306-I343 HydrophobicContact CZ-CG2 3.45Å; F306-I343 VanDerWaalsContact CZ-CG2 3.45Å; L335-I343 HydrophobicContact CD1-CD1 4.04Å; V339-I343 HydrophobicContact CG1-CD1 3.93Å; V339-I343 HydrophobicContact CG1-CG1 4.39Å; V339-I343 WeakPolarHBondContact O-CB 3.32Å; V339-I343 VanDerWaalsContact O-CG1 3.26Å; V339-I343 WeakPolarHBondContact O-CG1 3.18Å; V339-I343 PolarHBondContact O-N 3Å; V340-I343 PolarHBondContact O-N 2.93Å; L341-I343 PolarHBondContact O-N 3.16Å; I343-S345 PolarHBondContact O-N 2.87Å; I343-S345 VanDerWaalsContact O-N 3.07Å; I343-N346 PolarHBondContact O-N 2.89Å; I343-L347 HydrophobicContact CG2-CD1 3.53Å; I343-L347 HydrophobicContact CG2-CD2 4.43Å; I343-L347 HydrophobicContact CG2-CG 3.9Å; I343-L347 WeakPolarHBondContact O-CG 3.5Å; I343-L347 PolarHBondContact O-N 3.45Å; I343-W355 HydrophobicContact CG2-CD2 4Å; I343-W355 HydrophobicContact CG2-CE3 4.49Å; I343-W355 HydrophobicContact CG2-CG 4.33Å; I343-W355 HydrophobicContact CG2-CZ2 4.24Å
344Q85Confident87.9Confident49 Ų4940.7 Ų40.723%0.22920%0.199CC..Hα-helixtrans-52.9-36.3-178.3-75.4177.3-000113.6V340 L341 N346 W355V340-Q344 VanDerWaalsContact O-CG 3.31Å; V340-Q344 WeakPolarHBondContact O-CG 3.37Å; V340-Q344 PolarHBondContact O-N 2.84Å; L341-Q344 PolarHBondContact O-N 3.46Å; Q344-N346 VanDerWaalsContact C-N 3.34Å; Q344-W355 HydrophobicContact CG-CE3 4.29Å; Q344-W355 HydrophobicContact CG-CH2 3.52Å; Q344-W355 HydrophobicContact CG-CZ3 3.29Å
345S78.6Confident87.8Confident37 Ų3740.6 Ų40.626%0.25920%0.199SC..Hα-helixtrans-78.5-13.5-178.266.60000114.8R70 L341 F342 I343R70-S345 VanDerWaalsContact CD-O 3.32Å; R70-S345 WeakPolarHBondContact CD-O 3.44Å; R70-S345 PolarHBondContact NH1-O 3.48Å; L341-S345 WeakPolarHBondContact O-CB 3.15Å; L341-S345 PolarHBondContact O-N 3.11Å; L341-S345 PolarHBondContact O-OG 3.15Å; L341-S345 VanDerWaalsContact O-OG 3.13Å; F342-S345 PolarHBondContact O-N 2.82Å; F342-S345 PolarHBondContact O-OG 3.45Å; I343-S345 PolarHBondContact O-N 2.87Å; I343-S345 VanDerWaalsContact O-N 3.07Å
346N79.6Confident87.7Confident21 Ų2146.2 Ų46.211%0.11222%0.22CC..Hα-helixtrans-116.7-4.9-174.5-69.8-61.6000114.5A299 T302 R303 F342 I343 Q344A299-N346 HydrophobicContact CB-CB 4.37Å; A299-N346 WeakPolarHBondContact CB-OD1 3.48Å; T302-N346 HydrophobicContact CG2-CB 4.34Å; R303-N346 WeakPolarHBondContact CG-O 3.26Å; F342-N346 WeakPolarHBondContact CD2-ND2 3.38Å; F342-N346 VanDerWaalsContact CE2-ND2 3.29Å; F342-N346 WeakPolarHBondContact CE2-ND2 3.35Å; F342-N346 PolarHBondContact O-N 3.22Å; F342-N346 PolarHBondContact O-ND2 2.81Å; I343-N346 PolarHBondContact O-N 2.89Å; Q344-N346 VanDerWaalsContact C-N 3.34Å
347L82.9Confident87.9Confident22 Ų2251.5 Ų51.512%0.11525%0.247CC..  trans-84.3150.4178.2-64.9-173.5000113.3T302 F306 I343 E352 W355T302-L347 HydrophobicContact CG2-CD2 4.38Å; F306-L347 HydrophobicContact CB-CD2 4.09Å; F306-L347 HydrophobicContact CD1-CD1 3.83Å; F306-L347 HydrophobicContact CD1-CD2 3.47Å; F306-L347 VanDerWaalsContact CD1-CD2 3.47Å; F306-L347 HydrophobicContact CD1-CG 4.29Å; F306-L347 HydrophobicContact CD2-CD2 3.51Å; F306-L347 HydrophobicContact CE1-CD1 3.43Å; F306-L347 VanDerWaalsContact CE1-CD1 3.43Å; F306-L347 HydrophobicContact CE1-CD2 3.69Å; F306-L347 HydrophobicContact CE1-CG 4.17Å; F306-L347 HydrophobicContact CE2-CD2 3.7Å; F306-L347 HydrophobicContact CG-CD2 3.37Å; F306-L347 HydrophobicContact CZ-CD1 3.84Å; F306-L347 HydrophobicContact CZ-CD2 3.79Å; F306-L347 HydrophobicContact CZ-CG 4.32Å; I343-L347 HydrophobicContact CG2-CD1 3.53Å; I343-L347 HydrophobicContact CG2-CD2 4.43Å; I343-L347 HydrophobicContact CG2-CG 3.9Å; I343-L347 WeakPolarHBondContact O-CG 3.5Å; I343-L347 PolarHBondContact O-N 3.45Å; L347-E352 HydrophobicContact CB-CB 4.2Å; L347-E352 HydrophobicContact CD1-CB 4.43Å; L347-W355 HydrophobicContact CD1-CB 4Å; L347-W355 HydrophobicContact CD1-CD2 4.48Å; L347-W355 HydrophobicContact CD1-CG 4.26Å
348T81.5Confident88.2Confident57 Ų5749.6 Ų49.635%0.3524%0.237SC..  trans-75.4160.3162.765.90000109.7E350 Y351 E352T348-E350 PolarHBondContact O-N 2.85Å; T348-E350 VanDerWaalsContact O-N 3.1Å; T348-Y351 HydrophobicContact CG2-CD2 4.38Å; T348-Y351 PolarHBondContact O-N 2.87Å; T348-Y351 VanDerWaalsContact O-N 3.1Å; T348-Y351 VanDerWaalsContact OG1-CD2 3.29Å; T348-Y351 WeakPolarHBondContact OG1-CD2 3.21Å; T348-Y351 PolarHBondContact OG1-N 2.93Å; T348-E352 WeakPolarHBondContact O-CB 3.31Å; T348-E352 PolarHBondContact O-N 3.27Å
349N86.8Confident88.7Confident123 Ų12349.7 Ų49.766%0.65824%0.244SC*.Hα-helixtrans-53.7-33176.4-71-37.9000113.4R353N349-R353 VanDerWaalsContact O-CG 3.27Å; N349-R353 WeakPolarHBondContact O-CG 3.47Å; N349-R353 PolarHBondContact O-N 3.13Å
350E89.7Confident88.8Confident100 Ų10054.6 Ų54.647%0.46727%0.27SS..Hα-helixtrans-66.6-51.8176.8-177.1-174.7165.200111.3K310 T348 R353 L354K310-E350 WeakPolarHBondContact CE-OE1 3.07Å; K310-E350 IonicContact NZ-OE1 3.56Å; K310-E350 PolarHBondContact NZ-OE1 3.47Å; T348-E350 PolarHBondContact O-N 2.85Å; T348-E350 VanDerWaalsContact O-N 3.1Å; E350-R353 PolarHBondContact O-N 3.27Å; E350-L354 PolarHBondContact O-N 2.85Å; E350-L354 VanDerWaalsContact O-N 3.11Å
351Y92Very high89Confident29 Ų2954.6 Ų54.611%0.11427%0.271CS..Hα-helixtrans-70.1-33.4-179.1-62.6-32.3000112.5F306 E307 K310 T348 L354 W355F306-Y351 HydrophobicContact CB-CD1 4.32Å; F306-Y351 HydrophobicContact CB-CD2 3.89Å; F306-Y351 HydrophobicContact CB-CE2 4.39Å; F306-Y351 HydrophobicContact CB-CG 3.88Å; E307-Y351 HydrophobicContact CG-CE2 4.48Å; E307-Y351 WeakPolarHBondContact CG-OH 3.35Å; K310-Y351 HydrophobicContact CD-CE1 4.16Å; T348-Y351 HydrophobicContact CG2-CD2 4.38Å; T348-Y351 PolarHBondContact O-N 2.87Å; T348-Y351 VanDerWaalsContact O-N 3.1Å; T348-Y351 VanDerWaalsContact OG1-CD2 3.29Å; T348-Y351 WeakPolarHBondContact OG1-CD2 3.21Å; T348-Y351 PolarHBondContact OG1-N 2.93Å; Y351-L354 PolarHBondContact O-N 2.84Å; Y351-W355 VanDerWaalsContact O-CB 3.29Å; Y351-W355 WeakPolarHBondContact O-CB 3.31Å; Y351-W355 PolarHBondContact O-N 3.11Å
352E90Very high89.6Confident48 Ų4851.8 Ų51.822%0.22426%0.256CS..Hα-helixtrans-62-43.8173.8-167.8-168.9167.200111.2L347 T348 W355 R356L347-E352 HydrophobicContact CB-CB 4.2Å; L347-E352 HydrophobicContact CD1-CB 4.43Å; T348-E352 WeakPolarHBondContact O-CB 3.31Å; T348-E352 PolarHBondContact O-N 3.27Å; E352-W355 PolarHBondContact O-N 3.45Å; E352-R356 WeakPolarHBondContact O-CB 3.37Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.36Å; E352-R356 PolarHBondContact O-N 2.97Å; E352-R356 IonicContact OE1-CZ 3.5Å; E352-R356 VanDerWaalsContact OE1-CZ 3.23Å; E352-R356 IonicContact OE1-NE 3.68Å; E352-R356 PolarHBondContact OE1-NE 2.95Å; E352-R356 IonicContact OE1-NH2 2.69Å; E352-R356 PolarHBondContact OE1-NH2 2.78Å
353R93.4Very high90Very high176 Ų17653.1 Ų53.166%0.66426%0.264SS*.Hα-helixtrans-62.6-45175.1-74.2172.9-174.6167.42.5112N349 E350 W355 R356 N357N349-R353 VanDerWaalsContact O-CG 3.27Å; N349-R353 WeakPolarHBondContact O-CG 3.47Å; N349-R353 PolarHBondContact O-N 3.13Å; E350-R353 PolarHBondContact O-N 3.27Å; R353-W355 VanDerWaalsContact C-N 3.33Å; R353-W355 PolarHBondContact O-N 2.99Å; R353-R356 PolarHBondContact O-N 2.86Å; R353-N357 WeakPolarHBondContact O-CB 3.48Å; R353-N357 PolarHBondContact O-N 2.96Å; R353-N357 VanDerWaalsContact O-N 3.09Å; R353-N357 PolarHBondContact O-ND2 2.78Å; R353-N357 VanDerWaalsContact O-ND2 3.13Å
354L94.7Very high90.3Very high32 Ų3255.2 Ų55.217%0.16828%0.275CS..Hα-helixtrans-55.7-50174.9172.969000110.7L309 K310 V313 E350 Y351 N357 L358L309-L354 HydrophobicContact CD2-CD2 4.42Å; L309-L354 HydrophobicContact CG-CD2 4.35Å; K310-L354 VanDerWaalsContact CA-CD2 3.48Å; K310-L354 HydrophobicContact CB-CD2 3.65Å; K310-L354 HydrophobicContact CG-CD2 4.17Å; V313-L354 HydrophobicContact CB-CD1 4.3Å; V313-L354 HydrophobicContact CG1-CD1 4.07Å; V313-L354 HydrophobicContact CG2-CD1 4.33Å; E350-L354 PolarHBondContact O-N 2.85Å; E350-L354 VanDerWaalsContact O-N 3.11Å; Y351-L354 PolarHBondContact O-N 2.84Å; L354-N357 WeakPolarHBondContact O-CB 3.34Å; L354-N357 PolarHBondContact O-N 3.24Å; L354-L358 PolarHBondContact O-N 2.91Å
355W94.7Very high90.6Very high1 Ų153.8 Ų53.80%0.00427%0.269CS..Hα-helixtrans-62.7-42.9-178.4-179.762000113.2F306 V340 I343 Q344 L347 Y351 E352 R353 N357 L358 W362 N363F306-W355 HydrophobicContact CE1-CB 3.9Å; F306-W355 AromaticContact CE1-CD1 3.97Å; F306-W355 HydrophobicContact CE1-CG 4.03Å; F306-W355 HydrophobicContact CZ-CG 4.45Å; V340-W355 HydrophobicContact CG1-CH2 3.69Å; V340-W355 HydrophobicContact CG1-CZ2 4Å; I343-W355 HydrophobicContact CG2-CD2 4Å; I343-W355 HydrophobicContact CG2-CE3 4.49Å; I343-W355 HydrophobicContact CG2-CG 4.33Å; I343-W355 HydrophobicContact CG2-CZ2 4.24Å; Q344-W355 HydrophobicContact CG-CE3 4.29Å; Q344-W355 HydrophobicContact CG-CH2 3.52Å; Q344-W355 HydrophobicContact CG-CZ3 3.29Å; L347-W355 HydrophobicContact CD1-CB 4Å; L347-W355 HydrophobicContact CD1-CD2 4.48Å; L347-W355 HydrophobicContact CD1-CG 4.26Å; Y351-W355 VanDerWaalsContact O-CB 3.29Å; Y351-W355 WeakPolarHBondContact O-CB 3.31Å; Y351-W355 PolarHBondContact O-N 3.11Å; E352-W355 PolarHBondContact O-N 3.45Å; R353-W355 VanDerWaalsContact C-N 3.33Å; R353-W355 PolarHBondContact O-N 2.99Å; W355-N357 VanDerWaalsContact C-N 3.27Å; W355-N357 PolarHBondContact O-N 3.21Å; W355-L358 WeakPolarHBondContact O-CB 3.33Å; W355-L358 PolarHBondContact O-N 2.93Å; W355-W362 WeakPolarHBondContact CZ2-O 3.43Å; W355-W362 PolarHBondContact NE1-O 3.25Å; W355-W362 VanDerWaalsContact NE1-O 3.15Å; W355-N363 VanDerWaalsContact CE2-ND2 3.29Å; W355-N363 PolarHBondContact O-ND2 3.26Å
356R93.7Very high91.4Very high122 Ų12253.5 Ų53.546%0.4626%0.263SS..Hα-helixtrans-63.6-31.9174.8-71.7179.5-177.1-76.80.6112.6E352 R353 L358 G359 N363E352-R356 WeakPolarHBondContact O-CB 3.37Å; E352-R356 VanDerWaalsContact O-CG 3.31Å; E352-R356 WeakPolarHBondContact O-CG 3.36Å; E352-R356 PolarHBondContact O-N 2.97Å; E352-R356 IonicContact OE1-CZ 3.5Å; E352-R356 VanDerWaalsContact OE1-CZ 3.23Å; E352-R356 IonicContact OE1-NE 3.68Å; E352-R356 PolarHBondContact OE1-NE 2.95Å; E352-R356 IonicContact OE1-NH2 2.69Å; E352-R356 PolarHBondContact OE1-NH2 2.78Å; R353-R356 PolarHBondContact O-N 2.86Å; R356-L358 PolarHBondContact O-N 3.36Å; R356-G359 PolarHBondContact O-N 2.85Å; R356-N363 WeakPolarHBondContact CA-OD1 3.15Å; R356-N363 PolarHBondContact O-OD1 2.87Å
357N94.5Very high91.8Very high118 Ų11860.9 Ų60.963%0.63129%0.294SS*.THydrogen-bonded Turntrans-74.3-11.1177.9-71.3-27.8000113.8Q328 R353 L354 W355 G359Q328-N357 PolarHBondContact NE2-O 3.43Å; R353-N357 WeakPolarHBondContact O-CB 3.48Å; R353-N357 PolarHBondContact O-N 2.96Å; R353-N357 VanDerWaalsContact O-N 3.09Å; R353-N357 PolarHBondContact O-ND2 2.78Å; R353-N357 VanDerWaalsContact O-ND2 3.13Å; L354-N357 WeakPolarHBondContact O-CB 3.34Å; L354-N357 PolarHBondContact O-N 3.24Å; W355-N357 VanDerWaalsContact C-N 3.27Å; W355-N357 PolarHBondContact O-N 3.21Å; N357-G359 VanDerWaalsContact C-N 3.32Å
358L95.6Very high92.2Very high7 Ų766.5 Ų66.54%0.03732%0.319CS..THydrogen-bonded Turntrans-76.7-20.8174.9-64.4174.5000112.8L309 V313 A327 Q328 L354 W355 R356 W362L309-L358 HydrophobicContact CD1-CD1 4.1Å; L309-L358 HydrophobicContact CD2-CD1 4.03Å; L309-L358 HydrophobicContact CG-CD1 4.42Å; V313-L358 HydrophobicContact CG2-CD2 3.83Å; A327-L358 HydrophobicContact CB-CD2 3.84Å; Q328-L358 HydrophobicContact CG-CD2 4.49Å; Q328-L358 WeakPolarHBondContact CG-O 3.48Å; L354-L358 PolarHBondContact O-N 2.91Å; W355-L358 WeakPolarHBondContact O-CB 3.33Å; W355-L358 PolarHBondContact O-N 2.93Å; R356-L358 PolarHBondContact O-N 3.36Å; L358-W362 HydrophobicContact CB-CB 3.97Å; L358-W362 HydrophobicContact CB-CD2 4.37Å; L358-W362 HydrophobicContact CB-CG 3.7Å; L358-W362 HydrophobicContact CD1-CD2 3.63Å; L358-W362 HydrophobicContact CD1-CE3 4.01Å; L358-W362 HydrophobicContact CD1-CG 3.86Å; L358-W362 HydrophobicContact CD1-CZ2 4.27Å; L358-W362 HydrophobicContact CD1-CZ3 4.48Å; L358-W362 HydrophobicContact CG-CG 4.42Å
359G93.9Very high92.7Very high22 Ų2264.7 Ų64.723%0.22731%0.309CS..  trans80-162.9173.200000114.4R356 N357 A361 W362 N363R356-G359 PolarHBondContact O-N 2.85Å; N357-G359 VanDerWaalsContact C-N 3.32Å; G359-A361 VanDerWaalsContact C-N 3.3Å; G359-A361 PolarHBondContact O-N 3.45Å; G359-A361 VanDerWaalsContact O-N 3.11Å; G359-W362 PolarHBondContact O-N 3.21Å; G359-N363 PolarHBondContact O-N 3.45Å; G359-N363 PolarHBondContact O-OD1 2.93Å
360D93.5Very high93Very high102 Ų10263.8 Ų63.855%0.54531%0.31SS..Hα-helixtrans-53.2-39.9-162-64.2-1.8000114.7W362 N363 I364D360-W362 PolarHBondContact O-N 2.84Å; D360-N363 PolarHBondContact O-N 3.07Å; D360-I364 HydrophobicContact CB-CD1 3.59Å; D360-I364 HydrophobicContact CB-CG1 4.02Å; D360-I364 WeakPolarHBondContact O-CB 3.33Å; D360-I364 PolarHBondContact O-N 2.85Å
361A94Very high93.1Very high7 Ų763.4 Ų63.46%0.05831%0.305CS..Hα-helixtrans-59.4-21.217900000113.8K280 Q328 I331 G359K280-A361 PolarHBondContact NZ-O 3.32Å; Q328-A361 WeakPolarHBondContact O-CB 3.42Å; I331-A361 HydrophobicContact CG1-CB 4.4Å; G359-A361 VanDerWaalsContact C-N 3.3Å; G359-A361 PolarHBondContact O-N 3.45Å; G359-A361 VanDerWaalsContact O-N 3.11Å
362W95.9Very high93Very high4 Ų467.7 Ų67.72%0.01533%0.326CS..Hα-helixtrans-112.1-17-179.7-70.679.2000113.6F276 L279 K280 L309 A327 L335 W355 L358 G359 D360F276-W362 HydrophobicContact CB-CZ2 4.09Å; F276-W362 HydrophobicContact CD1-CH2 4.31Å; F276-W362 HydrophobicContact CD1-CZ2 4.03Å; F276-W362 HydrophobicContact CG-CZ2 4.36Å; L279-W362 HydrophobicContact CB-CH2 4.39Å; K280-W362 HydrophobicContact CD-CD2 4.13Å; K280-W362 HydrophobicContact CD-CE3 4.22Å; K280-W362 HydrophobicContact CD-CH2 4.01Å; K280-W362 HydrophobicContact CD-CZ2 3.91Å; K280-W362 HydrophobicContact CD-CZ3 4.17Å; K280-W362 HydrophobicContact CG-CD2 4.24Å; K280-W362 HydrophobicContact CG-CE3 3.83Å; K280-W362 HydrophobicContact CG-CH2 3.44Å; K280-W362 VanDerWaalsContact CG-CH2 3.44Å; K280-W362 HydrophobicContact CG-CZ2 3.88Å; K280-W362 HydrophobicContact CG-CZ3 3.41Å; K280-W362 VanDerWaalsContact CG-CZ3 3.41Å; L309-W362 HydrophobicContact CD1-CH2 3.52Å; L309-W362 HydrophobicContact CD1-CZ2 4.07Å; L309-W362 HydrophobicContact CD1-CZ3 3.93Å; L309-W362 HydrophobicContact CD2-CZ3 4.3Å; A327-W362 PolarHBondContact O-NE1 3.41Å; L335-W362 WeakPolarHBondContact CD1-O 3.39Å; W355-W362 WeakPolarHBondContact CZ2-O 3.43Å; W355-W362 PolarHBondContact NE1-O 3.25Å; W355-W362 VanDerWaalsContact NE1-O 3.15Å; L358-W362 HydrophobicContact CB-CB 3.97Å; L358-W362 HydrophobicContact CB-CD2 4.37Å; L358-W362 HydrophobicContact CB-CG 3.7Å; L358-W362 HydrophobicContact CD1-CD2 3.63Å; L358-W362 HydrophobicContact CD1-CE3 4.01Å; L358-W362 HydrophobicContact CD1-CG 3.86Å; L358-W362 HydrophobicContact CD1-CZ2 4.27Å; L358-W362 HydrophobicContact CD1-CZ3 4.48Å; L358-W362 HydrophobicContact CG-CG 4.42Å; G359-W362 PolarHBondContact O-N 3.21Å; D360-W362 PolarHBondContact O-N 2.84Å
363N93.3Very high93Very high37 Ų3768.8 Ų68.820%0.19833%0.333CS..Hα-helixtrans-115.5-27.8-168.1-55.5158.9000113.4W355 R356 G359 D360W355-N363 VanDerWaalsContact CE2-ND2 3.29Å; W355-N363 PolarHBondContact O-ND2 3.26Å; R356-N363 WeakPolarHBondContact CA-OD1 3.15Å; R356-N363 PolarHBondContact O-OD1 2.87Å; G359-N363 PolarHBondContact O-N 3.45Å; G359-N363 PolarHBondContact O-OD1 2.93Å; D360-N363 PolarHBondContact O-N 3.07Å
364I92.8Very high92.9Very high46 Ų4666.7 Ų66.724%0.23633%0.326CS..SBendtrans-83123.8178.4-62.5-176.6000109.1D360 E368D360-I364 HydrophobicContact CB-CD1 3.59Å; D360-I364 HydrophobicContact CB-CG1 4.02Å; D360-I364 WeakPolarHBondContact O-CB 3.33Å; D360-I364 PolarHBondContact O-N 2.85Å; I364-E368 HydrophobicContact CG2-CB 3.75Å
365P92.5Very high92.9Very high18 Ų1867.2 Ų67.212%0.11733%0.33CS..  trans-58.2150.9174.4-24.234.4000112.8L335 D337 V340 K367 E368 S369L335-P365 CarbonylContact O-C 3.57Å; L335-P365 WeakPolarHBondContact O-CA 3.32Å; D337-P365 HydrophobicContact CB-CB 4.3Å; D337-P365 WeakPolarHBondContact OD1-CB 3.27Å; V340-P365 HydrophobicContact CG2-CG 4.27Å; P365-K367 PolarHBondContact O-N 2.83Å; P365-K367 VanDerWaalsContact O-N 3.12Å; P365-E368 PolarHBondContact O-N 2.81Å; P365-S369 PolarHBondContact O-N 3.36Å; P365-S369 VanDerWaalsContact O-N 3.12Å
366R93.8Very high93Very high31 Ų3168.3 Ų68.312%0.11733%0.334CS..G310 helixtrans-48.1-43.8-179.3-178.5-174.9-59.2173.6-2.9112.7L334 L335 E368 S369 D373 Y398L334-R366 HydrophobicContact CB-CB 3.93Å; L334-R366 HydrophobicContact CB-CG 3.76Å; L334-R366 HydrophobicContact CD1-CG 4.13Å; L334-R366 PolarHBondContact O-NE 3.17Å; L334-R366 VanDerWaalsContact O-NE 3.11Å; L334-R366 PolarHBondContact O-NH2 2.94Å; L335-R366 PolarHBondContact O-N 3.39Å; R366-E368 VanDerWaalsContact C-N 3.28Å; R366-E368 PolarHBondContact O-N 2.85Å; R366-S369 VanDerWaalsContact O-CB 3.29Å; R366-S369 WeakPolarHBondContact O-CB 3.34Å; R366-S369 PolarHBondContact O-N 3.41Å; R366-D373 WeakPolarHBondContact CD-OD1 3.26Å; R366-Y398 VanDerWaalsContact NH1-CD1 3.28Å
367K89.3Confident93.1Very high177 Ų17766 Ų6677%0.7733%0.33SS*.G310 helixtrans-66-27.8-178.3-67.6-177.7-176.8170.90114D337 P365D337-K367 WeakPolarHBondContact OD2-CD 3.34Å; P365-K367 PolarHBondContact O-N 2.83Å; P365-K367 VanDerWaalsContact O-N 3.12Å
368E91.7Very high93.1Very high139 Ų13960.5 Ų60.565%0.6530%0.301SS*.G310 helixtrans-99.4-0.6-179.1-62.7179.2-170.300111.9I364 P365 R366I364-E368 HydrophobicContact CG2-CB 3.75Å; P365-E368 PolarHBondContact O-N 2.81Å; R366-E368 VanDerWaalsContact C-N 3.28Å; R366-E368 PolarHBondContact O-N 2.85Å
369S90.7Very high93.1Very high20 Ų2067.5 Ų67.514%0.1433%0.333CS..  trans-74.6138.8-173.5-157.80000111.7P365 R366 Y371P365-S369 PolarHBondContact O-N 3.36Å; P365-S369 VanDerWaalsContact O-N 3.12Å; R366-S369 VanDerWaalsContact O-CB 3.29Å; R366-S369 WeakPolarHBondContact O-CB 3.34Å; R366-S369 PolarHBondContact O-N 3.41Å; S369-Y371 PolarHBondContact O-N 3.39Å; S369-Y371 VanDerWaalsContact OG-CD2 3.31Å; S369-Y371 WeakPolarHBondContact OG-CD2 3.37Å
370P92.6Very high93.1Very high104 Ų10467.1 Ų67.168%0.67533%0.326SS*.SBendtrans-77.3-5.3174.533-36.6000113.2
371Y91.9Very high92.8Very high91 Ų9168.1 Ų68.136%0.35733%0.327SS..SBendtrans-87.5157.9-176.7-56.9-69.1000111.9I331 L334 S369I331-Y371 HydrophobicContact CD1-CD1 3.86Å; I331-Y371 HydrophobicContact CD1-CE1 3.46Å; I331-Y371 VanDerWaalsContact CD1-CE1 3.46Å; I331-Y371 HydrophobicContact CD1-CE2 4.38Å; I331-Y371 HydrophobicContact CD1-CG 4.46Å; I331-Y371 HydrophobicContact CG1-CD1 4.45Å; I331-Y371 HydrophobicContact CG1-CD2 4.43Å; I331-Y371 HydrophobicContact CG1-CE1 4.08Å; I331-Y371 HydrophobicContact CG1-CE2 4.09Å; I331-Y371 HydrophobicContact CG2-CD1 4.07Å; I331-Y371 HydrophobicContact CG2-CD2 3.55Å; I331-Y371 HydrophobicContact CG2-CE1 4.48Å; I331-Y371 HydrophobicContact CG2-CE2 4.04Å; I331-Y371 HydrophobicContact CG2-CG 3.58Å; L334-Y371 HydrophobicContact CD2-CD2 4.2Å; S369-Y371 PolarHBondContact O-N 3.39Å; S369-Y371 VanDerWaalsContact OG-CD2 3.31Å; S369-Y371 WeakPolarHBondContact OG-CD2 3.37Å
372E91.6Very high92.5Very high119 Ų11972.1 Ų72.156%0.55635%0.347SS*.  trans-61.3136176.7-172.8-176.6166.700111.2Y332 R374Y332-E372 PolarHBondContact OH-O 3Å; E372-R374 HydrophobicContact CB-CG 4.02Å; E372-R374 VanDerWaalsContact CD-NE 3.29Å; E372-R374 HydrophobicContact CG-CG 3.79Å; E372-R374 PolarHBondContact O-N 3.3Å; E372-R374 IonicContact OE1-NE 2.75Å; E372-R374 IonicContact OE2-CZ 3.35Å; E372-R374 IonicContact OE2-NE 2.89Å; E372-R374 PolarHBondContact OE2-NE 2.89Å; E372-R374 IonicContact OE2-NH2 3.76Å; E372-R374 PolarHBondContact OE2-NH2 3.35Å
373D89Confident92.1Very high71 Ų7182.6 Ų82.638%0.3839%0.387SS..  trans-75.965179.3-167.424.3000112R366 Y398R366-D373 WeakPolarHBondContact CD-OD1 3.26Å; D373-Y398 WeakPolarHBondContact OD1-CE2 3.46Å
374R92.4Very high92Very high133 Ų13384.5 Ų84.550%0.50239%0.394SS..PPolyproline II helixtrans-78.7136.1178.8-60.7-175.4-179.7-174.8-0.6110.5Y332 E372 Y376 Y398Y332-R374 HydrophobicContact CD1-CB 4.35Å; Y332-R374 HydrophobicContact CE1-CB 3.83Å; Y332-R374 HydrophobicContact CE1-CG 4.18Å; E372-R374 HydrophobicContact CB-CG 4.02Å; E372-R374 VanDerWaalsContact CD-NE 3.29Å; E372-R374 HydrophobicContact CG-CG 3.79Å; E372-R374 PolarHBondContact O-N 3.3Å; E372-R374 IonicContact OE1-NE 2.75Å; E372-R374 IonicContact OE2-CZ 3.35Å; E372-R374 IonicContact OE2-NE 2.89Å; E372-R374 PolarHBondContact OE2-NE 2.89Å; E372-R374 IonicContact OE2-NH2 3.76Å; E372-R374 PolarHBondContact OE2-NH2 3.35Å; R374-Y376 PolarHBondContact O-N 2.72Å; R374-Y398 PolarHBondContact O-OH 3.41Å
375V94.4Very high92Very high42 Ų4287.4 Ų87.426%0.25541%0.414SS..PPolyproline II helixtrans-72.4120.1169.2176.50000109.4I377 F396 Y398 N399V375-I377 HydrophobicContact CG1-CG1 4.11Å; V375-F396 HydrophobicContact CG1-CB 4.47Å; V375-F396 HydrophobicContact CG1-CD1 4.49Å; V375-F396 WeakPolarHBondContact CG1-O 3.49Å; V375-Y398 VanDerWaalsContact CA-OH 3.32Å; V375-Y398 WeakPolarHBondContact CA-OH 3.49Å; V375-Y398 HydrophobicContact CG1-CE1 4.47Å; V375-Y398 HydrophobicContact CG2-CE1 4.41Å; V375-Y398 HydrophobicContact CG2-CE2 4.15Å; V375-N399 HydrophobicContact CG2-CB 4.45Å; V375-N399 WeakPolarHBondContact CG2-ND2 3.41Å; V375-N399 WeakPolarHBondContact CG2-OD1 2.98Å
376Y96.2Very high92.1Very high24 Ų2487 Ų879%0.09441%0.411CS..PPolyproline II helixtrans-83.7122173.2176.5-98000110.4E277 F281 P333 R374 P378 Y398E277-Y376 HydrophobicContact CB-CE2 3.95Å; E277-Y376 HydrophobicContact CG-CE2 4.47Å; F281-Y376 HydrophobicContact CB-CD1 4.2Å; F281-Y376 HydrophobicContact CB-CE1 3.68Å; F281-Y376 HydrophobicContact CD1-CE1 4.14Å; F281-Y376 AromaticContact CD2-CD1 3.66Å; F281-Y376 HydrophobicContact CD2-CD1 3.66Å; F281-Y376 AromaticContact CD2-CE1 3.89Å; F281-Y376 HydrophobicContact CD2-CE1 3.89Å; F281-Y376 HydrophobicContact CE2-CD1 4.24Å; F281-Y376 AromaticContact CG-CD1 3.92Å; F281-Y376 HydrophobicContact CG-CD1 3.92Å; F281-Y376 AromaticContact CG-CE1 3.62Å; F281-Y376 HydrophobicContact CG-CE1 3.62Å; P333-Y376 HydrophobicContact CB-CD1 4.02Å; P333-Y376 HydrophobicContact CB-CG 3.84Å; P333-Y376 HydrophobicContact CG-CD1 4.04Å; P333-Y376 HydrophobicContact CG-CE1 4.45Å; P333-Y376 HydrophobicContact CG-CG 4.21Å; R374-Y376 PolarHBondContact O-N 2.72Å; Y376-P378 HydrophobicContact CE1-CB 3.76Å; Y376-P378 HydrophobicContact CE1-CG 4.29Å; Y376-Y398 PolarHBondContact N-OH 2.94Å
377I95.9Very high92.1Very high73 Ų7387.8 Ų87.837%0.37442%0.419SS..  trans-116.1111.7172.7-57.8-179.5000107.3V375 V386 P388V375-I377 HydrophobicContact CG1-CG1 4.11Å; I377-V386 HydrophobicContact CG2-CB 3.93Å; I377-V386 HydrophobicContact CG2-CG1 4.34Å; I377-V386 HydrophobicContact CG2-CG2 4.43Å; I377-P388 HydrophobicContact CD1-CG 4.09Å
378P95.2Very high92.3Very high3 Ų381.1 Ų81.12%0.01939%0.394CS..PPolyproline II helixtrans-67.1142.3-177.627.3-35.5000112F281 Y376 F380 V386F281-P378 HydrophobicContact CD1-CB 4.35Å; F281-P378 HydrophobicContact CD1-CG 4.04Å; F281-P378 HydrophobicContact CE1-CB 4.45Å; F281-P378 HydrophobicContact CE1-CG 3.66Å; F281-P378 HydrophobicContact CZ-CG 4.21Å; Y376-P378 HydrophobicContact CE1-CB 3.76Å; Y376-P378 HydrophobicContact CE1-CG 4.29Å; P378-F380 HydrophobicContact CB-CE1 4.3Å; P378-F380 HydrophobicContact CB-CE2 3.87Å; P378-F380 HydrophobicContact CB-CZ 3.72Å; P378-F380 HydrophobicContact CG-CE2 3.53Å; P378-F380 HydrophobicContact CG-CZ 3.54Å; P378-V386 HydrophobicContact CG-CG2 3.93Å
379H94.4Very high92.2Very high155 Ų15581.7 Ų81.772%0.71840%0.396SS*.PPolyproline II helixtrans-100.3121.2167.9-68-69.2000109.7K278K278-H379 WeakPolarHBondContact CE-O 3.44Å; K278-H379 PolarHBondContact NZ-O 3.27Å
380F93.5Very high92.3Very high14 Ų1485.2 Ų85.26%0.06141%0.41CS..PPolyproline II helixtrans-98.1144.4-176.6-65.1-76.4000113.4L209 L212 D216 P378 N382 R383 F384 V386L209-F380 HydrophobicContact CD1-CE2 3.47Å; L209-F380 VanDerWaalsContact CD1-CE2 3.47Å; L209-F380 HydrophobicContact CD1-CZ 3.41Å; L209-F380 VanDerWaalsContact CD1-CZ 3.41Å; L209-F380 HydrophobicContact CG-CZ 4.32Å; L212-F380 HydrophobicContact CB-CD1 3.75Å; L212-F380 HydrophobicContact CB-CE1 3.54Å; L212-F380 HydrophobicContact CB-CG 4.35Å; L212-F380 HydrophobicContact CB-CZ 3.96Å; L212-F380 HydrophobicContact CD1-CE2 4.42Å; D216-F380 VanDerWaalsContact OD2-CA 3.27Å; D216-F380 WeakPolarHBondContact OD2-CA 3.22Å; P378-F380 HydrophobicContact CB-CE1 4.3Å; P378-F380 HydrophobicContact CB-CE2 3.87Å; P378-F380 HydrophobicContact CB-CZ 3.72Å; P378-F380 HydrophobicContact CG-CE2 3.53Å; P378-F380 HydrophobicContact CG-CZ 3.54Å; F380-N382 WeakPolarHBondContact CB-OD1 3.12Å; F380-N382 PolarHBondContact O-N 2.84Å; F380-R383 PolarHBondContact O-N 2.82Å; F380-F384 HydrophobicContact CB-CB 4.22Å; F380-F384 HydrophobicContact CD2-CB 4.2Å; F380-F384 AromaticContact CD2-CD1 3.82Å; F380-F384 HydrophobicContact CD2-CD1 3.82Å; F380-F384 HydrophobicContact CD2-CG 4.49Å; F380-F384 HydrophobicContact CE2-CD1 4.04Å; F380-F384 HydrophobicContact CG-CB 4.48Å; F380-V386 HydrophobicContact CE2-CG2 3.85Å
381E88.7Confident92.3Very high123 Ų12380.5 Ų80.558%0.57538%0.379SS*.THydrogen-bonded Turntrans-60.8-35.3-179.8-172.1175.3-178.300111.8D216 S219 R383D216-E381 WeakPolarHBondContact OD1-CB 3.34Å; D216-E381 PolarHBondContact OD1-N 3.31Å; D216-E381 PolarHBondContact OD2-N 3.5Å; S219-E381 WeakPolarHBondContact CB-OE2 3.22Å; S219-E381 PolarHBondContact OG-OE2 3.44Å; E381-R383 PolarHBondContact O-N 2.84Å; E381-R383 VanDerWaalsContact O-N 3.16Å
382N87.4Confident92.3Very high91 Ų9176.8 Ų76.849%0.48737%0.365SS..THydrogen-bonded Turntrans-76.16.7177.873.2-0.9000114.7L212 F380 F384L212-N382 WeakPolarHBondContact CD2-ND2 2.96Å; F380-N382 WeakPolarHBondContact CB-OD1 3.12Å; F380-N382 PolarHBondContact O-N 2.84Å; N382-F384 PolarHBondContact O-N 2.86Å; N382-F384 WeakPolarHBondContact OD1-CB 3.34Å; N382-F384 PolarHBondContact OD1-N 2.83Å
383R87.7Confident92.3Very high224 Ų22473.5 Ų73.585%0.84535%0.354SS*.  trans64.917.6-178.4-48-178.6-178.8-166.4-0.7114.6F380 E381 T385F380-R383 PolarHBondContact O-N 2.82Å; E381-R383 PolarHBondContact O-N 2.84Å; E381-R383 VanDerWaalsContact O-N 3.16Å; R383-T385 PolarHBondContact O-N 2.91Å
384F90.7Very high92.4Very high77 Ų7770.2 Ų70.234%0.33834%0.337SS..  trans-59.6130.7167.3-177.6-93.2000109.6L209 L212 F380 N382 V386L209-F384 HydrophobicContact CD1-CE1 4.32Å; L212-F384 HydrophobicContact CD1-CB 4.06Å; L212-F384 HydrophobicContact CD1-CD1 3.48Å; L212-F384 VanDerWaalsContact CD1-CD1 3.48Å; L212-F384 HydrophobicContact CD1-CD2 4.03Å; L212-F384 HydrophobicContact CD1-CE1 3.86Å; L212-F384 HydrophobicContact CD1-CE2 4.37Å; L212-F384 HydrophobicContact CD1-CG 3.58Å; L212-F384 HydrophobicContact CD1-CZ 4.29Å; F380-F384 HydrophobicContact CB-CB 4.22Å; F380-F384 HydrophobicContact CD2-CB 4.2Å; F380-F384 AromaticContact CD2-CD1 3.82Å; F380-F384 HydrophobicContact CD2-CD1 3.82Å; F380-F384 HydrophobicContact CD2-CG 4.49Å; F380-F384 HydrophobicContact CE2-CD1 4.04Å; F380-F384 HydrophobicContact CG-CB 4.48Å; N382-F384 PolarHBondContact O-N 2.86Å; N382-F384 WeakPolarHBondContact OD1-CB 3.34Å; N382-F384 PolarHBondContact OD1-N 2.83Å; F384-V386 HydrophobicContact CD1-CG2 4.4Å; F384-V386 HydrophobicContact CE1-CG2 4.14Å
385T93Very high92.5Very high107 Ų10764.2 Ų64.266%0.65631%0.314SS*.  trans-110.3118.5179.3-58.40000108.6R383 V387R383-T385 PolarHBondContact O-N 2.91Å; T385-V387 PolarHBondContact O-N 2.84Å
386V93.8Very high92.5Very high10 Ų1062.4 Ų62.46%0.06130%0.303CS..  trans-65.6129.3174.2176.30000109L209 I377 P378 F380 F384 P388 Y391 F396L209-V386 HydrophobicContact CD1-CG2 3.95Å; I377-V386 HydrophobicContact CG2-CB 3.93Å; I377-V386 HydrophobicContact CG2-CG1 4.34Å; I377-V386 HydrophobicContact CG2-CG2 4.43Å; P378-V386 HydrophobicContact CG-CG2 3.93Å; F380-V386 HydrophobicContact CE2-CG2 3.85Å; F384-V386 HydrophobicContact CD1-CG2 4.4Å; F384-V386 HydrophobicContact CE1-CG2 4.14Å; V386-P388 WeakPolarHBondContact O-CD 3.18Å; V386-Y391 HydrophobicContact CG1-CD2 4.29Å; V386-Y391 HydrophobicContact CG1-CE2 3.72Å; V386-F396 HydrophobicContact CG1-CD2 3.97Å; V386-F396 HydrophobicContact CG1-CE1 4.1Å; V386-F396 HydrophobicContact CG1-CE2 3.43Å; V386-F396 VanDerWaalsContact CG1-CE2 3.43Å; V386-F396 HydrophobicContact CG1-CG 4.5Å; V386-F396 HydrophobicContact CG1-CZ 3.49Å; V386-F396 VanDerWaalsContact CG1-CZ 3.49Å; V386-F396 HydrophobicContact CG2-CZ 4.45Å
387V93.7Very high92.3Very high47 Ų4764 Ų6429%0.28531%0.313SS..  trans-107.296.2172.2-178.70000107.9T385 H389 Q390 Y391T385-V387 PolarHBondContact O-N 2.84Å; V387-H389 VanDerWaalsContact C-N 3.27Å; V387-H389 WeakPolarHBondContact CG1-CE1 3.32Å; V387-H389 WeakPolarHBondContact CG1-ND1 3.39Å; V387-H389 PolarHBondContact O-N 2.9Å; V387-Q390 HydrophobicContact CB-CG 4.15Å; V387-Q390 HydrophobicContact CG1-CG 3.92Å; V387-Q390 PolarHBondContact O-N 3.49Å; V387-Y391 WeakPolarHBondContact O-CD2 3.38Å
388P93Very high92.1Very high37 Ų3762 Ų6224%0.2430%0.301CS..G310 helixtrans-52.6-35.8-165.7-34.239.1000116.1I377 V386 Q390 Y391 F396I377-P388 HydrophobicContact CD1-CG 4.09Å; V386-P388 WeakPolarHBondContact O-CD 3.18Å; P388-Q390 VanDerWaalsContact C-N 3.26Å; P388-Q390 PolarHBondContact O-N 2.92Å; P388-Y391 PolarHBondContact O-N 3.18Å; P388-F396 HydrophobicContact CB-CB 3.76Å; P388-F396 HydrophobicContact CB-CG 4.38Å; P388-F396 HydrophobicContact CG-CB 4.44Å
389H91.4Very high91.8Very high150 Ų15065.6 Ų65.669%0.69432%0.32SS*.G310 helixtrans-76.4-7.7-175.664-97.2000114.7V387V387-H389 VanDerWaalsContact C-N 3.27Å; V387-H389 WeakPolarHBondContact CG1-CE1 3.32Å; V387-H389 WeakPolarHBondContact CG1-ND1 3.39Å; V387-H389 PolarHBondContact O-N 2.9Å
390Q92Very high91.6Very high95 Ų9560.2 Ų60.244%0.44430%0.3SS..G310 helixtrans-82.4-20.9174.9-67.4-178.8-2600112.4W202 L205 V387 P388W202-Q390 VanDerWaalsContact CD1-O 3.26Å; W202-Q390 PolarHBondContact NE1-O 3.13Å; L205-Q390 HydrophobicContact CD1-CB 4.09Å; L205-Q390 WeakPolarHBondContact CD1-O 3.27Å; V387-Q390 HydrophobicContact CB-CG 4.15Å; V387-Q390 HydrophobicContact CG1-CG 3.92Å; V387-Q390 PolarHBondContact O-N 3.49Å; P388-Q390 VanDerWaalsContact C-N 3.26Å; P388-Q390 PolarHBondContact O-N 2.92Å
391Y93.4Very high91.2Very high5 Ų565.6 Ų65.62%0.0234%0.336CS..SBendtrans-90.8171.3-178.5-61.2-92000111.2W202 L205 E206 L209 V386 V387 P388 L395 F396W202-Y391 PolarHBondContact NE1-O 3.46Å; L205-Y391 HydrophobicContact CB-CD1 3.92Å; L205-Y391 HydrophobicContact CB-CE1 3.76Å; E206-Y391 HydrophobicContact CG-CD1 4.09Å; L209-Y391 HydrophobicContact CB-CE1 4.23Å; L209-Y391 HydrophobicContact CD2-CE1 3.96Å; V386-Y391 HydrophobicContact CG1-CD2 4.29Å; V386-Y391 HydrophobicContact CG1-CE2 3.72Å; V387-Y391 WeakPolarHBondContact O-CD2 3.38Å; P388-Y391 PolarHBondContact O-N 3.18Å; Y391-L395 HydrophobicContact CD1-CD2 3.95Å; Y391-L395 HydrophobicContact CG-CD2 4.21Å; Y391-F396 HydrophobicContact CD1-CE2 4.06Å; Y391-F396 AromaticContact CD2-CD2 3.69Å; Y391-F396 HydrophobicContact CD2-CD2 3.69Å; Y391-F396 AromaticContact CD2-CE2 3.51Å; Y391-F396 HydrophobicContact CD2-CE2 3.51Å; Y391-F396 HydrophobicContact CE1-CE2 4.34Å; Y391-F396 HydrophobicContact CE2-CD2 4.4Å; Y391-F396 AromaticContact CE2-CE2 3.86Å; Y391-F396 HydrophobicContact CE2-CE2 3.86Å; Y391-F396 AromaticContact CG-CD2 3.85Å; Y391-F396 HydrophobicContact CG-CD2 3.85Å; Y391-F396 AromaticContact CG-CE2 3.64Å; Y391-F396 HydrophobicContact CG-CE2 3.64Å
392E91.2Very high90.9Very high13 Ų1367 Ų676%0.06135%0.348CS..  trans-60.1132.4170.8-170.6-75.7134.100109.8W202 R288 S394 L395 R410 Y411W202-E392 HydrophobicContact CB-CB 4.24Å; W202-E392 HydrophobicContact CD2-CB 3.77Å; W202-E392 HydrophobicContact CD2-CG 4.14Å; W202-E392 HydrophobicContact CE3-CB 3.82Å; W202-E392 HydrophobicContact CE3-CG 3.67Å; W202-E392 HydrophobicContact CG-CB 3.99Å; W202-E392 HydrophobicContact CZ3-CB 4.45Å; W202-E392 HydrophobicContact CZ3-CG 3.9Å; R288-E392 IonicContact CZ-OE2 2.84Å; R288-E392 IonicContact NH1-OE2 3.74Å; R288-E392 IonicContact NH2-OE2 3.21Å; R288-E392 PolarHBondContact NH2-OE2 3.36Å; E392-S394 VanDerWaalsContact C-N 3.26Å; E392-S394 VanDerWaalsContact CD-N 3.26Å; E392-S394 VanDerWaalsContact CD-OG 3.32Å; E392-S394 PolarHBondContact O-N 2.85Å; E392-S394 VanDerWaalsContact O-N 3.09Å; E392-S394 PolarHBondContact OE1-N 2.65Å; E392-S394 PolarHBondContact OE1-OG 2.78Å; E392-S394 WeakPolarHBondContact OE2-CA 3.39Å; E392-S394 VanDerWaalsContact OE2-CB 3.26Å; E392-S394 WeakPolarHBondContact OE2-CB 3.44Å; E392-S394 PolarHBondContact OE2-N 2.95Å; E392-S394 PolarHBondContact OE2-OG 3.14Å; E392-L395 WeakPolarHBondContact O-CB 3.48Å; E392-L395 PolarHBondContact O-N 3.44Å; E392-R410 HydrophobicContact CG-CG 3.8Å; E392-R410 WeakPolarHBondContact CG-O 3.33Å; E392-Y411 HydrophobicContact CB-CD1 4.41Å; E392-Y411 HydrophobicContact CB-CE1 4.34Å; E392-Y411 HydrophobicContact CG-CD1 4.44Å
393P90.4Very high90.7Very high49 Ų4964.2 Ų64.232%0.31833%0.334SS..Hα-helixtrans-52.6-35.4-170.7-31.135.6000115.7L395 N397 V403P393-L395 PolarHBondContact O-N 2.88Å; P393-N397 CarbonylContact O-C 3.57Å; P393-N397 WeakPolarHBondContact O-CA 3.34Å; P393-N397 VanDerWaalsContact O-CB 3.31Å; P393-N397 WeakPolarHBondContact O-CB 3.28Å; P393-N397 PolarHBondContact O-N 2.76Å; P393-V403 HydrophobicContact CB-CG1 4.04Å; P393-V403 HydrophobicContact CB-CG2 3.94Å
394S91.2Very high90.1Very high3 Ų358.3 Ų58.32%0.02132%0.323CS..Hα-helixtrans-72.5-8.1179.779.90000114.6R288 E392 Y398R288-S394 PolarHBondContact NH1-OG 2.84Å; E392-S394 VanDerWaalsContact C-N 3.26Å; E392-S394 VanDerWaalsContact CD-N 3.26Å; E392-S394 VanDerWaalsContact CD-OG 3.32Å; E392-S394 PolarHBondContact O-N 2.85Å; E392-S394 VanDerWaalsContact O-N 3.09Å; E392-S394 PolarHBondContact OE1-N 2.65Å; E392-S394 PolarHBondContact OE1-OG 2.78Å; E392-S394 WeakPolarHBondContact OE2-CA 3.39Å; E392-S394 VanDerWaalsContact OE2-CB 3.26Å; E392-S394 WeakPolarHBondContact OE2-CB 3.44Å; E392-S394 PolarHBondContact OE2-N 2.95Å; E392-S394 PolarHBondContact OE2-OG 3.14Å; S394-Y398 WeakPolarHBondContact O-CB 3.48Å
395L94.5Very high89.5Confident7 Ų757.4 Ų57.44%0.03732%0.321CS..Hα-helixtrans-76.5-47.8175.2-177.257.9000112.6E206 L209 F281 I284 L285 Y391 E392 P393 Y398E206-L395 HydrophobicContact CG-CD2 3.79Å; L209-L395 HydrophobicContact CD2-CD2 4.12Å; F281-L395 HydrophobicContact CE2-CD1 4.12Å; F281-L395 HydrophobicContact CZ-CD1 4.33Å; I284-L395 HydrophobicContact CG2-CD1 4.42Å; L285-L395 HydrophobicContact CD2-CD1 4.01Å; L285-L395 HydrophobicContact CD2-CD2 4.04Å; Y391-L395 HydrophobicContact CD1-CD2 3.95Å; Y391-L395 HydrophobicContact CG-CD2 4.21Å; E392-L395 WeakPolarHBondContact O-CB 3.48Å; E392-L395 PolarHBondContact O-N 3.44Å; P393-L395 PolarHBondContact O-N 2.88Å; L395-Y398 VanDerWaalsContact O-CD1 3.27Å; L395-Y398 WeakPolarHBondContact O-CD1 3.34Å; L395-Y398 WeakPolarHBondContact O-CE1 3.35Å
396F95.8Very high88.4Confident3 Ų359.7 Ų59.71%0.01332%0.318CS..Hα-helixtrans-122.5-3.1-173.2-64.2-62000114.8L209 F281 V375 V386 P388 Y391L209-F396 HydrophobicContact CD2-CE2 4.04Å; L209-F396 HydrophobicContact CD2-CZ 3.66Å; F281-F396 HydrophobicContact CE2-CE1 4.1Å; F281-F396 HydrophobicContact CE2-CZ 4.45Å; F281-F396 AromaticContact CZ-CE1 3.83Å; F281-F396 HydrophobicContact CZ-CE1 3.83Å; F281-F396 AromaticContact CZ-CZ 3.77Å; F281-F396 HydrophobicContact CZ-CZ 3.77Å; V375-F396 HydrophobicContact CG1-CB 4.47Å; V375-F396 HydrophobicContact CG1-CD1 4.49Å; V375-F396 WeakPolarHBondContact CG1-O 3.49Å; V386-F396 HydrophobicContact CG1-CD2 3.97Å; V386-F396 HydrophobicContact CG1-CE1 4.1Å; V386-F396 HydrophobicContact CG1-CE2 3.43Å; V386-F396 VanDerWaalsContact CG1-CE2 3.43Å; V386-F396 HydrophobicContact CG1-CG 4.5Å; V386-F396 HydrophobicContact CG1-CZ 3.49Å; V386-F396 VanDerWaalsContact CG1-CZ 3.49Å; V386-F396 HydrophobicContact CG2-CZ 4.45Å; P388-F396 HydrophobicContact CB-CB 3.76Å; P388-F396 HydrophobicContact CB-CG 4.38Å; P388-F396 HydrophobicContact CG-CB 4.44Å; Y391-F396 HydrophobicContact CD1-CE2 4.06Å; Y391-F396 AromaticContact CD2-CD2 3.69Å; Y391-F396 HydrophobicContact CD2-CD2 3.69Å; Y391-F396 AromaticContact CD2-CE2 3.51Å; Y391-F396 HydrophobicContact CD2-CE2 3.51Å; Y391-F396 HydrophobicContact CE1-CE2 4.34Å; Y391-F396 HydrophobicContact CE2-CD2 4.4Å; Y391-F396 AromaticContact CE2-CE2 3.86Å; Y391-F396 HydrophobicContact CE2-CE2 3.86Å; Y391-F396 AromaticContact CG-CD2 3.85Å; Y391-F396 HydrophobicContact CG-CD2 3.85Å; Y391-F396 AromaticContact CG-CE2 3.64Å; Y391-F396 HydrophobicContact CG-CE2 3.64Å
397N92.4Very high87.2Confident58 Ų5863.6 Ų63.631%0.3134%0.336SS..  trans-125.324.7175.8-61.7-35000111.8P393 N399 S400 V403P393-N397 CarbonylContact O-C 3.57Å; P393-N397 WeakPolarHBondContact O-CA 3.34Å; P393-N397 VanDerWaalsContact O-CB 3.31Å; P393-N397 WeakPolarHBondContact O-CB 3.28Å; P393-N397 PolarHBondContact O-N 2.76Å; N397-N399 PolarHBondContact O-N 3.08Å; N397-N399 VanDerWaalsContact O-N 3.14Å; N397-S400 WeakPolarHBondContact O-CB 3.4Å; N397-S400 PolarHBondContact O-N 3.41Å; N397-S400 PolarHBondContact O-OG 2.93Å; N397-V403 HydrophobicContact CB-CG2 4.15Å; N397-V403 WeakPolarHBondContact O-CB 3.5Å; N397-V403 WeakPolarHBondContact O-CG2 3.38Å
398Y90Very high85.8Confident31 Ų3166.6 Ų66.612%0.12235%0.347CS..THydrogen-bonded Turntrans-60.9-21.9-176.650.5-106.4000115.3R366 D373 R374 V375 Y376 S394 L395 S400R366-Y398 VanDerWaalsContact NH1-CD1 3.28Å; D373-Y398 WeakPolarHBondContact OD1-CE2 3.46Å; R374-Y398 PolarHBondContact O-OH 3.41Å; V375-Y398 VanDerWaalsContact CA-OH 3.32Å; V375-Y398 WeakPolarHBondContact CA-OH 3.49Å; V375-Y398 HydrophobicContact CG1-CE1 4.47Å; V375-Y398 HydrophobicContact CG2-CE1 4.41Å; V375-Y398 HydrophobicContact CG2-CE2 4.15Å; Y376-Y398 PolarHBondContact N-OH 2.94Å; S394-Y398 WeakPolarHBondContact O-CB 3.48Å; L395-Y398 VanDerWaalsContact O-CD1 3.27Å; L395-Y398 WeakPolarHBondContact O-CD1 3.34Å; L395-Y398 WeakPolarHBondContact O-CE1 3.35Å; Y398-S400 VanDerWaalsContact C-N 3.27Å
399N89.8Confident84.5Confident78 Ų7867.3 Ų67.342%0.41735%0.35SS..THydrogen-bonded Turntrans-85.2-3.4177.266.8-13.6000112.3V375 N397V375-N399 HydrophobicContact CG2-CB 4.45Å; V375-N399 WeakPolarHBondContact CG2-ND2 3.41Å; V375-N399 WeakPolarHBondContact CG2-OD1 2.98Å; N397-N399 PolarHBondContact O-N 3.08Å; N397-N399 VanDerWaalsContact O-N 3.14Å
400S89.8Confident83.8Confident43 Ų4360.9 Ų60.930%0.30132%0.32SS..SBendtrans-79.2133.5177.5-64.60000110.2N397 Y398 N402 V403N397-S400 WeakPolarHBondContact O-CB 3.4Å; N397-S400 PolarHBondContact O-N 3.41Å; N397-S400 PolarHBondContact O-OG 2.93Å; Y398-S400 VanDerWaalsContact C-N 3.27Å; S400-N402 PolarHBondContact O-N 3.28Å; S400-V403 PolarHBondContact O-N 3.14Å
401P85Confident83.2Confident126 Ų12656.5 Ų56.582%0.81830%0.299SS*.THydrogen-bonded Turntrans-63.6-18.1-176.225.7-35.2000113.9
402N82.8Confident81.9Confident154 Ų15458.5 Ų58.582%0.82431%0.309SS*.THydrogen-bonded Turntrans-90-2.9179.6-59.6-37.8000113.5S400S400-N402 PolarHBondContact O-N 3.28Å
403V83.1Confident80.6Confident32 Ų3259.2 Ų59.219%0.19431%0.313CS..  trans-105.7121.7-177.2176.60000108.8P393 N397 S400P393-V403 HydrophobicContact CB-CG1 4.04Å; P393-V403 HydrophobicContact CB-CG2 3.94Å; N397-V403 HydrophobicContact CB-CG2 4.15Å; N397-V403 WeakPolarHBondContact O-CB 3.5Å; N397-V403 WeakPolarHBondContact O-CG2 3.38Å; S400-V403 PolarHBondContact O-N 3.14Å
404V75.6Confident78.9Confident100 Ų10061 Ų6161%0.60633%0.325SS*.  trans-110.4109.7177.1-1700000108.3R406V404-R406 HydrophobicContact CG1-CG 3.82Å; V404-R406 PolarHBondContact O-N 3.47Å
405D76.8Confident76.6Confident57 Ų5767.2 Ų67.231%0.30537%0.365SS..  trans-73.894.4174.6-174.85.2000110.1Y338 R410Y338-D405 VanDerWaalsContact CE1-OD2 3.29Å; Y338-D405 WeakPolarHBondContact CE1-OD2 3.24Å; D405-R410 IonicContact OD1-CZ 2.95Å; D405-R410 IonicContact OD1-NE 2.84Å; D405-R410 IonicContact OD1-NH2 3.57Å; D405-R410 PolarHBondContact OD1-NH2 2.77Å
406R71.5Confident74.1Confident155 Ų15570.4 Ų70.459%0.58540%0.4SS*.  trans-111.8106.1173.1-72-177.3179.6-171.2-0109.3V404 E408 T409 R410V404-R406 HydrophobicContact CG1-CG 3.82Å; V404-R406 PolarHBondContact O-N 3.47Å; R406-E408 PolarHBondContact O-N 2.7Å; R406-E408 VanDerWaalsContact O-N 3.17Å; R406-T409 VanDerWaalsContact CB-OG1 3.22Å; R406-T409 WeakPolarHBondContact CB-OG1 3.27Å; R406-T409 CarbonylContact O-C 3.57Å; R406-T409 PolarHBondContact O-N 3Å; R406-T409 VanDerWaalsContact O-N 3.08Å; R406-R410 WeakPolarHBondContact O-CA 3.44Å; R406-R410 PolarHBondContact O-N 2.57Å
407Q68.4Low71.5Confident93 Ų9373 Ų7344%0.43542%0.418SS..G310 helixtrans-52.4-42.8-177.5-52.3179.551.100112.9Y338 T409Y338-Q407 HydrophobicContact CD1-CG 4.37Å; Y338-Q407 HydrophobicContact CD2-CG 4.44Å; Y338-Q407 HydrophobicContact CG-CG 4.13Å; Q407-T409 VanDerWaalsContact C-N 3.3Å; Q407-T409 PolarHBondContact O-N 2.85Å
408E63.6Low68.6Low110 Ų11079.7 Ų79.751%0.51445%0.445SS..G310 helixtrans-66.6-28.5-176.5-62.9162.6179.700113.6R406R406-E408 PolarHBondContact O-N 2.7Å; R406-E408 VanDerWaalsContact O-N 3.17Å
409T65.8Low65.9Low52 Ų5285.3 Ų85.332%0.31947%0.47SS..G310 helixtrans-117.96.1-174.360.30000112.9R406 Q407 Y411 M412R406-T409 VanDerWaalsContact CB-OG1 3.22Å; R406-T409 WeakPolarHBondContact CB-OG1 3.27Å; R406-T409 CarbonylContact O-C 3.57Å; R406-T409 PolarHBondContact O-N 3Å; R406-T409 VanDerWaalsContact O-N 3.08Å; Q407-T409 VanDerWaalsContact C-N 3.3Å; Q407-T409 PolarHBondContact O-N 2.85Å; T409-Y411 VanDerWaalsContact C-N 3.35Å; T409-Y411 PolarHBondContact O-N 3.44Å; T409-M412 HydrophobicContact CG2-SD 3.69Å; T409-M412 WeakPolarHBondContact O-CB 3.39Å; T409-M412 PolarHBondContact O-N 2.97Å
410R77.6Confident62.9Low14 Ų1485 Ų855%0.05347%0.474CS..THydrogen-bonded Turntrans-49.9-51.3-171.7177.9-178.6-70.2134.2-1.1112.8R288 E392 D405 R406R288-R410 PolarHBondContact O-NH1 3.42Å; E392-R410 HydrophobicContact CG-CG 3.8Å; E392-R410 WeakPolarHBondContact CG-O 3.33Å; D405-R410 IonicContact OD1-CZ 2.95Å; D405-R410 IonicContact OD1-NE 2.84Å; D405-R410 IonicContact OD1-NH2 3.57Å; D405-R410 PolarHBondContact OD1-NH2 2.77Å; R406-R410 WeakPolarHBondContact O-CA 3.44Å; R406-R410 PolarHBondContact O-N 2.57Å
411Y78.1Confident60.2Low4 Ų487.5 Ų87.52%0.01650%0.497CS..THydrogen-bonded Turntrans-96.814.1-178.1-51.5-70.6000113.1I198 N199 W202 I203 E206 R288 Y292 E392 T409I198-Y411 CarbonylContact C-O 3.46Å; I198-Y411 WeakPolarHBondContact CA-O 3.09Å; N199-Y411 PolarHBondContact N-O 3.29Å; W202-Y411 HydrophobicContact CB-CD1 3.97Å; W202-Y411 HydrophobicContact CB-CE1 4.41Å; W202-Y411 HydrophobicContact CE3-CD1 4.48Å; I203-Y411 HydrophobicContact CD1-CD2 4.37Å; I203-Y411 HydrophobicContact CD1-CG 4.15Å; I203-Y411 HydrophobicContact CG1-CD1 3.77Å; I203-Y411 HydrophobicContact CG1-CD2 4.09Å; I203-Y411 HydrophobicContact CG1-CE1 4.11Å; I203-Y411 HydrophobicContact CG1-CE2 4.38Å; I203-Y411 HydrophobicContact CG1-CG 3.74Å; E206-Y411 PolarHBondContact OE2-OH 3.32Å; E206-Y411 VanDerWaalsContact OE2-OH 3.11Å; R288-Y411 WeakPolarHBondContact CB-OH 3.18Å; R288-Y411 WeakPolarHBondContact O-CE2 3.43Å; R288-Y411 PolarHBondContact O-OH 3.03Å; Y292-Y411 HydrophobicContact CD2-CD2 4.31Å; Y292-Y411 HydrophobicContact CD2-CE2 4.01Å; Y292-Y411 AromaticContact CE2-CD2 3.37Å; Y292-Y411 HydrophobicContact CE2-CD2 3.37Å; Y292-Y411 AromaticContact CE2-CE2 3.4Å; Y292-Y411 HydrophobicContact CE2-CE2 3.4Å; Y292-Y411 VanDerWaalsContact CE2-CE2 3.4Å; Y292-Y411 AromaticContact CZ-CD2 3.64Å; Y292-Y411 WeakPolarHBondContact OH-CD2 3.46Å; E392-Y411 HydrophobicContact CB-CD1 4.41Å; E392-Y411 HydrophobicContact CB-CE1 4.34Å; E392-Y411 HydrophobicContact CG-CD1 4.44Å; T409-Y411 VanDerWaalsContact C-N 3.35Å; T409-Y411 PolarHBondContact O-N 3.44Å
412M67.3Low57.6Low46 Ų4688.7 Ų88.723%0.22750%0.497CS..BIsolated β-bridgetrans-81.9135.4179.9-64.4-17766.300110.6Y193 Q197 T409Y193-M412 HydrophobicContact CD1-CE 3.33Å; Y193-M412 HydrophobicContact CD2-CE 4.16Å; Y193-M412 HydrophobicContact CE1-CE 3.21Å; Y193-M412 HydrophobicContact CE2-CE 4.01Å; Y193-M412 HydrophobicContact CG-CE 3.84Å; Q197-M412 WeakPolarHBondContact O-CA 3.44Å; T409-M412 HydrophobicContact CG2-SD 3.69Å; T409-M412 WeakPolarHBondContact O-CB 3.39Å; T409-M412 PolarHBondContact O-N 2.97Å
413L62.8Low55.1Low28 Ų2889 Ų8915%0.14749%0.493CS..PPolyproline II helixtrans-69.6138.5171.5-72.5170.1000109.8Q197 N199 S417 F419Q197-L413 WeakPolarHBondContact O-CB 3.48Å; Q197-L413 PolarHBondContact O-N 3.26Å; N199-L413 HydrophobicContact CB-CD2 3.89Å; N199-L413 HydrophobicContact CB-CG 4.16Å; L413-S417 WeakPolarHBondContact CB-OG 3.46Å; L413-F419 HydrophobicContact CD1-CD2 4.22Å; L413-F419 HydrophobicContact CD1-CE2 4.22Å
414P56.1Low52.3Low86 Ų8692.8 Ų92.856%0.55852%0.521SS*.PPolyproline II helixtrans-56.1141.3175.1-23.532.2000111.6G416 S417P414-G416 PolarHBondContact O-N 3.07Å; P414-S417 PolarHBondContact O-N 3.03Å; P414-S417 PolarHBondContact O-OG 2.99Å
415P42Very low50.3Low134 Ų13493.3 Ų93.387%0.8753%0.527SS*.THydrogen-bonded Turntrans-53.9117.6173.7-21.230.5000110.3
416G41.1Very low48.1Very low74 Ų74102 Ų10276%0.76356%0.555SS**THydrogen-bonded Turntrans108.7-3.7178.200000116.5P414 K418P414-G416 PolarHBondContact O-N 3.07Å; G416-K418 PolarHBondContact O-N 3.08Å
417S41.6Very low46.2Very low58 Ų58101 Ų10141%0.40657%0.567SS.*  trans-71.390.9168.963.40000110.2L413 P414 F419L413-S417 WeakPolarHBondContact CB-OG 3.46Å; P414-S417 PolarHBondContact O-N 3.03Å; P414-S417 PolarHBondContact O-OG 2.99Å; S417-F419 PolarHBondContact O-N 2.98Å; S417-F419 VanDerWaalsContact O-N 3.14Å
418K32Very low44.6Very low199 Ų199102.3 Ų102.387%0.86558%0.583SS**  trans-69.2107.3169.7-68.4-175.3-179.5-179.60108.2G416 S420G416-K418 PolarHBondContact O-N 3.08Å; K418-S420 PolarHBondContact O-N 2.9Å
419F34Very low42.8Very low148 Ų148108.7 Ų108.765%0.64960%0.603SS**  trans-60104.6159.5-112.7-87.4000107.4L413 S417 A421L413-F419 HydrophobicContact CD1-CD2 4.22Å; L413-F419 HydrophobicContact CD1-CE2 4.22Å; S417-F419 PolarHBondContact O-N 2.98Å; S417-F419 VanDerWaalsContact O-N 3.14Å; F419-A421 VanDerWaalsContact C-N 3.31Å; F419-A421 PolarHBondContact O-N 2.99Å; F419-A421 VanDerWaalsContact O-N 3.08Å
420S26.9Very low41.2Very low73 Ų73113.7 Ų113.751%0.5163%0.627SS.*  trans-7593.6165.4-161.40000106.3K418 N422K418-S420 PolarHBondContact O-N 2.9Å; S420-N422 PolarHBondContact O-N 3.22Å
421A33.1Very low38.8Very low94 Ų94120.1 Ų120.178%0.77766%0.663SS**THydrogen-bonded Turntrans-6522.1174.800000113.6F419F419-A421 VanDerWaalsContact C-N 3.31Å; F419-A421 PolarHBondContact O-N 2.99Å; F419-A421 VanDerWaalsContact O-N 3.08Å
422N29.4Very low36.5Very low152 Ų152126.7 Ų126.781%0.81370%0.698SS**THydrogen-bonded Turntrans-141.227.2-173.9-90-19.6000114.3S420S420-N422 PolarHBondContact O-N 3.22Å
423Q29.7Very low34.6Very low159 Ų159132.8 Ų132.874%0.74372%0.723SS**  trans-113.175.1164.7-67.2-169.73500110.3P425Q423-P425 VanDerWaalsContact O-CD 3.29Å; Q423-P425 WeakPolarHBondContact O-CD 2.98Å
424S25.5Very low33Very low112 Ų112141.7 Ų141.778%0.78376%0.756SS**  trans-60.7118153.5-1710000107.1R426S424-R426 PolarHBondContact O-N 2.86Å
425P34Very low31.6Very low112 Ų112141.5 Ų141.573%0.72777%0.771SS**  trans-67.9109.4175.5-13.728.6000107.7Q423 T427Q423-P425 VanDerWaalsContact O-CD 3.29Å; Q423-P425 WeakPolarHBondContact O-CD 2.98Å; P425-T427 PolarHBondContact O-N 3.13Å
426R29.5Very low31Very low238 Ų238143.8 Ų143.890%0.89877%0.767SS**  trans-51.1113.8162.9-72.8179.7174-173.3-2107.3S424 P428S424-R426 PolarHBondContact O-N 2.86Å; R426-P428 WeakPolarHBondContact O-CD 3.26Å
427T32.5Very low30.3Very low135 Ų135144.5 Ų144.583%0.82877%0.766SS**  trans-67.5119.4175.940.90000110.1P425P425-T427 PolarHBondContact O-N 3.13Å
428P33.2Very low29.7Very low120 Ų120151.1 Ų151.178%0.77979%0.79SS**  trans-82122.2155.3-1.823000107R426 D430R426-P428 WeakPolarHBondContact O-CD 3.26Å; P428-D430 PolarHBondContact O-N 2.89Å; P428-D430 VanDerWaalsContact O-N 3.1Å
429R27Very low29.5Very low245 Ų245146.5 Ų146.593%0.92578%0.775SS**  trans-48.7112.5167.9-77.3172.7165.3164.7-5.3109.6
430D31.9Very low29.2Very low157 Ų157146.7 Ų146.784%0.8478%0.781SS**  trans-155.1136.1140.1-112-28.4000112.6P428 N432P428-D430 PolarHBondContact O-N 2.89Å; P428-D430 VanDerWaalsContact O-N 3.1Å; D430-N432 PolarHBondContact O-N 3.3Å
431N27.6Very low29.2Very low148 Ų148152.2 Ų152.279%0.79180%0.799SS**  trans-71.9117.5-170-65.6-50.2000111.3
432N29Very low29.1Very low142 Ų142156.1 Ų156.176%0.75979%0.794SS**  169.4129.8128.5-96.3-42.4000111.5D430D430-N432 PolarHBondContact O-N 3.3Å
433K27.1Very low29.1Very low174 Ų174151.5 Ų151.576%0.75777%0.772SS**  trans53.2102.8150.8-65.1176.5177.11760116
434Y30.7Very low29.3Very low215 Ų215145.3 Ų145.384%0.84374%0.744SS**  177.291128.5-84.8-64.3000106.5F436Y434-F436 HydrophobicContact CD1-CD2 4.49Å; Y434-F436 PolarHBondContact O-N 3.17Å; Y434-F436 VanDerWaalsContact O-N 3.1Å
435G25.4Very low29.6Very low83 Ų83147.8 Ų147.886%0.85674%0.741SS**  trans-75.888.9170.100000109.2
436F29.1Very low29.7Very low181 Ų181146 Ų14679%0.79473%0.728SS**  trans-138.671.8173.4-92.3-85.7000108.1Y434Y434-F436 HydrophobicContact CD1-CD2 4.49Å; Y434-F436 PolarHBondContact O-N 3.17Å; Y434-F436 VanDerWaalsContact O-N 3.1Å
437A27.6Very low30.1Very low90 Ų90136.3 Ų136.374%0.74469%0.694SS**SBendtrans-148.52.3175.100000115.3
438E27.9Very low30.5Very low196 Ų196134.1 Ų134.192%0.91667%0.673SS**SBendtrans-13010.2-177.5-79.1-170.1151.900115.4
439D27.5Very low30.4Very low102 Ų102134.4 Ų134.455%0.54568%0.677SS.*  trans-127.620-173.2-126.8-10.6000114.3Q441 R442D439-Q441 PolarHBondContact O-N 3.31Å; D439-R442 IonicContact OD1-NE 3.45Å; D439-R442 PolarHBondContact OD1-NE 2.94Å; D439-R442 IonicContact OD1-NH2 3.32Å; D439-R442 IonicContact OD2-CZ 3.71Å; D439-R442 IonicContact OD2-NE 3.15Å; D439-R442 PolarHBondContact OD2-NE 2.88Å; D439-R442 IonicContact OD2-NH2 2.91Å; D439-R442 PolarHBondContact OD2-NH2 3.35Å
440I29.5Very low30.4Very low152 Ų152127.6 Ų127.678%0.77967%0.667SS**  trans-79.70.7-178.2-59.8178000112.8
441Q26.9Very low30.1Very low189 Ų189128.3 Ų128.388%0.88367%0.671SS**  trans-104.443.7172.3-77.7-164.9-31.200113.4D439 P443D439-Q441 PolarHBondContact O-N 3.31Å; Q441-P443 WeakPolarHBondContact O-CD 3.07Å
442R29.5Very low30.4Very low176 Ų176126.7 Ų126.766%0.66466%0.659SS**  trans-87.4106167.2-74.4-169.5-176.3-156.37.6110.2D439D439-R442 IonicContact OD1-NE 3.45Å; D439-R442 PolarHBondContact OD1-NE 2.94Å; D439-R442 IonicContact OD1-NH2 3.32Å; D439-R442 IonicContact OD2-CZ 3.71Å; D439-R442 IonicContact OD2-NE 3.15Å; D439-R442 PolarHBondContact OD2-NE 2.88Å; D439-R442 IonicContact OD2-NH2 2.91Å; D439-R442 PolarHBondContact OD2-NH2 3.35Å
443P29.6Very low30.4Very low56 Ų56124.9 Ų124.936%0.36465%0.649SS.*  trans-61.8153.1170.326.9-32.9000109.2Q441 K445Q441-P443 WeakPolarHBondContact O-CD 3.07Å; P443-K445 PolarHBondContact O-N 3.33Å
444L34Very low30.7Very low29 Ų29118.5 Ų118.515%0.15262%0.623CS.*  trans-51.886166-84.3167.9000109.5N211 F214 I454N211-L444 HydrophobicContact CB-CD2 3.89Å; N211-L444 VanDerWaalsContact CG-CD2 3.48Å; N211-L444 WeakPolarHBondContact OD1-CD1 3.49Å; N211-L444 WeakPolarHBondContact OD1-CD2 3.23Å; N211-L444 WeakPolarHBondContact OD1-CG 3.16Å; F214-L444 HydrophobicContact CD2-CD1 4.3Å; F214-L444 HydrophobicContact CD2-CD2 3.74Å; F214-L444 HydrophobicContact CE2-CD1 4.27Å; L444-I454 HydrophobicContact CB-CD1 3.72Å; L444-I454 HydrophobicContact CB-CG1 4.3Å; L444-I454 HydrophobicContact CD1-CD1 3.36Å; L444-I454 HydrophobicContact CD1-CG1 4.2Å; L444-I454 HydrophobicContact CG-CD1 3.48Å; L444-I454 VanDerWaalsContact CG-CD1 3.48Å; L444-I454 HydrophobicContact CG-CG1 4.49Å
445K32.3Very low30.6Very low164 Ų164115.1 Ų115.171%0.71361%0.613SS**  trans-70132.7157-78.2-174.7176.5179.10105.2P443P443-K445 PolarHBondContact O-N 3.33Å
446T36.7Very low30.8Very low75 Ų75113.6 Ų113.646%0.4659%0.585SS.*  trans71.962.5164.360.70000117.7E218E218-T446 PolarHBondContact OE2-OG1 3.38Å
447L37.4Very low30.9Very low33 Ų33107.8 Ų107.817%0.17357%0.566CS.*SBendtrans-93.5-33.5136.2-104168.5000110.8F214 L301 F308F214-L447 HydrophobicContact CD2-CD1 3.6Å; F214-L447 HydrophobicContact CD2-CG 4.36Å; F214-L447 HydrophobicContact CE2-CD1 3.56Å; F214-L447 HydrophobicContact CG-CD1 4.13Å; F214-L447 HydrophobicContact CZ-CD1 4.05Å; L301-L447 HydrophobicContact CD2-CD1 3.4Å; F308-L447 HydrophobicContact CE2-CD2 3.65Å; F308-L447 HydrophobicContact CZ-CD2 4.29Å
448F41.3Very low30.8Very low90 Ų90107.9 Ų107.940%0.39555%0.55SS.*SBendtrans-146.9136.9179.3-62.2-90000108.8Q304 S450Q304-F448 HydrophobicContact CB-CE2 3.7Å; Q304-F448 HydrophobicContact CB-CZ 3.67Å; Q304-F448 HydrophobicContact CG-CD2 4.36Å; Q304-F448 HydrophobicContact CG-CE1 4.48Å; Q304-F448 HydrophobicContact CG-CE2 3.37Å; Q304-F448 HydrophobicContact CG-CZ 3.41Å; Q304-F448 VanDerWaalsContact CG-CZ 3.41Å; F448-S450 PolarHBondContact O-N 3.09Å
449S29.2Very low30.9Very low125 Ų125103.7 Ų103.787%0.87453%0.533SS*.SBendtrans-62.481.5169165.10000109.9
450S28.2Very low30.8Very low102 Ų102107.1 Ų107.171%0.71357%0.565SS**SBendtrans-172125164.1-78.50000108.7F448 Q452F448-S450 PolarHBondContact O-N 3.09Å; S450-Q452 PolarHBondContact O-N 2.8Å; S450-Q452 VanDerWaalsContact O-N 3.12Å
451N25.9Very low30.8Very low173 Ų173104.9 Ų104.993%0.92555%0.554SS**  trans-54.6109.8-178-64.9-47.7000112.2
452Q33Very low31Very low114 Ų114100.5 Ų100.553%0.53354%0.537SS..  trans-134.7123162.2-72.1-169-33.300109.8S450S450-Q452 PolarHBondContact O-N 2.8Å; S450-Q452 VanDerWaalsContact O-N 3.12Å
453N29.4Very low31.1Very low104 Ų10496.3 Ų96.356%0.55653%0.53SS*.  trans-79.4129.3176.2-75.7-32.6000108.6F455N453-F455 HydrophobicContact CB-CD2 4.11Å; N453-F455 HydrophobicContact CB-CE2 3.89Å; N453-F455 PolarHBondContact O-N 2.95Å; N453-F455 VanDerWaalsContact O-N 3.11Å
454I32.8Very low31.2Very low40 Ų4098.6 Ų98.621%0.20554%0.54CS..  trans-69.9108.3169.5-50.5168.6000108.5D295 L444D295-I454 VanDerWaalsContact O-CA 3.26Å; D295-I454 WeakPolarHBondContact O-CA 3.35Å; L444-I454 HydrophobicContact CB-CD1 3.72Å; L444-I454 HydrophobicContact CB-CG1 4.3Å; L444-I454 HydrophobicContact CD1-CD1 3.36Å; L444-I454 HydrophobicContact CD1-CG1 4.2Å; L444-I454 HydrophobicContact CG-CD1 3.48Å; L444-I454 VanDerWaalsContact CG-CD1 3.48Å; L444-I454 HydrophobicContact CG-CG1 4.49Å
455F29.3Very low31Very low143 Ų143103 Ų10363%0.62756%0.564SS**  trans-94.7120.8164.5-82.3-86.6000108.9V294 N453 S457V294-F455 WeakPolarHBondContact CB-O 3.41Å; N453-F455 HydrophobicContact CB-CD2 4.11Å; N453-F455 HydrophobicContact CB-CE2 3.89Å; N453-F455 PolarHBondContact O-N 2.95Å; N453-F455 VanDerWaalsContact O-N 3.11Å; F455-S457 PolarHBondContact O-N 3.05Å
456I29.4Very low30.9Very low52 Ų5298.9 Ų98.927%0.26755%0.554SS.*  trans-74108.8161.4-60.4177.2000105.7F458I456-F458 HydrophobicContact CB-CE2 4.21Å; I456-F458 HydrophobicContact CG2-CD2 4.22Å; I456-F458 HydrophobicContact CG2-CE1 4.1Å; I456-F458 HydrophobicContact CG2-CE2 3.61Å; I456-F458 HydrophobicContact CG2-CZ 3.53Å; I456-F458 PolarHBondContact O-N 2.8Å
457S30.3Very low30.5Very low58 Ų58100.6 Ų100.641%0.40656%0.561SS.*  trans-83116.3174.989.10000109.6V294 F455V294-S457 WeakPolarHBondContact CG2-OG 3.46Å; F455-S457 PolarHBondContact O-N 3.05Å
458F27.1Very low30Very low93 Ų93105.8 Ų105.841%0.40859%0.591SS.*  trans-87.6123.8164.5-66.4-74.2000108.4E195 I456 S460E195-F458 WeakPolarHBondContact OE1-CB 2.92Å; I456-F458 HydrophobicContact CB-CE2 4.21Å; I456-F458 HydrophobicContact CG2-CD2 4.22Å; I456-F458 HydrophobicContact CG2-CE1 4.1Å; I456-F458 HydrophobicContact CG2-CE2 3.61Å; I456-F458 HydrophobicContact CG2-CZ 3.53Å; I456-F458 PolarHBondContact O-N 2.8Å; F458-S460 PolarHBondContact O-N 3.21Å
459I28.7Very low29Very low108 Ų108107.2 Ų107.255%0.55461%0.607SS**  trans-79106173.2-58.4176.4000106.8
460S25.2Very low29Very low174 Ų174105.5 Ų105.5100%1.21758%0.583SS**  trans-74.90164.2-78.60000112.2F458F458-S460 PolarHBondContact O-N 3.21Å

Retrieved 460 of 460 residues in 272.4 ms (Link to these results)

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