A0A5K4FDY3_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A5K4FDY3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 748 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
1M33.8Very low64.9Low224 Ų224118.2 Ų118.2100%1.10363%0.626SS**  019.70-135.1170.3179.900112.6K3M1-K3 PolarHBondContact O-N 3.24Å
2F34.3Very low67.2Low199 Ų199112.9 Ų112.987%0.87360%0.598SS**  trans-100.773.3179.9-61.3-78.8000110.7
3K39.8Very low69.4Low204 Ų204105.4 Ų105.489%0.88756%0.557SS**  trans-99.34.3-176.1-118.9-174.1-178-172.30115.9M1M1-K3 PolarHBondContact O-N 3.24Å
4N41.1Very low71.2Confident132 Ų132102.6 Ų102.671%0.70655%0.547SS*.  trans-143.6101167.2-88.8-11.2000109.4S6N4-S6 PolarHBondContact O-N 3.16Å
5N52.6Low72.7Confident162 Ų16299.7 Ų99.787%0.86653%0.529SS*.  trans-82.112.9169.6-108.512.8000112.1
6S68Low73.9Confident76 Ų7697.5 Ų97.553%0.53152%0.517SS..SBendtrans-76.9135.7176.352.20000110N4N4-S6 PolarHBondContact O-N 3.16Å
7A79.4Confident74.8Confident69 Ų6995.6 Ų95.657%0.5750%0.503SS*.PPolyproline II helixtrans-53.6141168.700000109.6S9A7-S9 PolarHBondContact O-N 3.38Å
8P86.4Confident75.6Confident31 Ų3191.8 Ų91.820%0.20149%0.485CS..PPolyproline II helixtrans-57.9141.3179.923.4-32.2000110.3D12 Y79 L81 G190P8-D12 WeakPolarHBondContact CA-OD2 3.43Å; P8-Y79 HydrophobicContact CB-CD1 4.25Å; P8-Y79 HydrophobicContact CB-CE1 4.22Å; P8-Y79 HydrophobicContact CG-CD1 4.26Å; P8-Y79 HydrophobicContact CG-CE1 4.39Å; P8-L81 HydrophobicContact CB-CD2 4.15Å; P8-L81 HydrophobicContact CG-CD2 4.32Å; P8-G190 VanDerWaalsContact CG-O 3.31Å; P8-G190 WeakPolarHBondContact CG-O 3.17Å
9S91.9Very high76.2Confident42 Ų4287.2 Ų87.229%0.29446%0.461SS..  trans-134.6165.4-175.877.30000111A7 N11 D12A7-S9 PolarHBondContact O-N 3.38Å; S9-N11 PolarHBondContact O-N 3.34Å; S9-N11 VanDerWaalsContact O-N 3.15Å; S9-N11 PolarHBondContact OG-N 3.25Å; S9-D12 PolarHBondContact N-OD2 3.31Å; S9-D12 WeakPolarHBondContact O-CB 3.41Å; S9-D12 PolarHBondContact O-N 3.22Å
10I93.7Very high76.6Confident26 Ų2683.6 Ų83.613%0.13344%0.443CS..G310 helixtrans-62.3-23.1178.1-165.760000112.6D12 F13 M15 I42 L81 T83 Y88I10-D12 PolarHBondContact O-N 2.75Å; I10-F13 PolarHBondContact O-N 3.08Å; I10-M15 HydrophobicContact CD1-CE 3.66Å; I10-M15 HydrophobicContact CG1-CE 4.08Å; I10-I42 HydrophobicContact CD1-CG2 4.38Å; I10-L81 HydrophobicContact CD1-CD1 4.3Å; I10-T83 HydrophobicContact CG2-CG2 4.14Å; I10-Y88 HydrophobicContact CB-CD2 4.35Å; I10-Y88 HydrophobicContact CB-CE1 4.47Å; I10-Y88 HydrophobicContact CB-CE2 4.26Å; I10-Y88 HydrophobicContact CD1-CD1 3.38Å; I10-Y88 HydrophobicContact CD1-CD2 4.36Å; I10-Y88 HydrophobicContact CD1-CE1 3.84Å; I10-Y88 HydrophobicContact CD1-CG 3.7Å; I10-Y88 HydrophobicContact CG1-CD1 3.71Å; I10-Y88 HydrophobicContact CG1-CD2 4.34Å; I10-Y88 HydrophobicContact CG1-CE1 3.61Å; I10-Y88 HydrophobicContact CG1-CE2 4.26Å; I10-Y88 HydrophobicContact CG1-CG 4.09Å; I10-Y88 HydrophobicContact CG2-CE2 4.38Å
11N92.9Very high76.4Confident135 Ų13582.4 Ų82.472%0.72243%0.434SS*.G310 helixtrans-68-13.6176.5-61-26.8000113.2S9 F13S9-N11 PolarHBondContact O-N 3.34Å; S9-N11 VanDerWaalsContact O-N 3.15Å; S9-N11 PolarHBondContact OG-N 3.25Å; N11-F13 PolarHBondContact O-N 2.71Å
12D93.1Very high77.9Confident55 Ų5573.3 Ų73.329%0.29440%0.397SS..G310 helixtrans-76.4-4.1172.6-60.2-46.3000112.3P8 S9 I10 A33P8-D12 WeakPolarHBondContact CA-OD2 3.43Å; S9-D12 PolarHBondContact N-OD2 3.31Å; S9-D12 WeakPolarHBondContact O-CB 3.41Å; S9-D12 PolarHBondContact O-N 3.22Å; I10-D12 PolarHBondContact O-N 2.75Å; D12-A33 WeakPolarHBondContact O-CB 3.39Å; D12-A33 PolarHBondContact O-N 3.11Å
13F95.3Very high79Confident15 Ų1567.5 Ų67.57%0.06639%0.386CS..EExtended strand (participates in β ladder)trans-123.8145-177.8-58.6-93.6000111.1I10 N11 A31 Y40 I42 Y79 L81 V90I10-F13 PolarHBondContact O-N 3.08Å; N11-F13 PolarHBondContact O-N 2.71Å; F13-A31 CarbonylContact C-O 3.6Å; F13-A31 VanDerWaalsContact CA-O 3.29Å; F13-A31 WeakPolarHBondContact CA-O 3.5Å; F13-Y40 HydrophobicContact CD1-CD2 4.08Å; F13-Y40 HydrophobicContact CD1-CE2 4.44Å; F13-Y40 AromaticContact CE1-CD2 3.85Å; F13-Y40 HydrophobicContact CE1-CD2 3.85Å; F13-Y40 AromaticContact CE1-CE2 3.92Å; F13-Y40 HydrophobicContact CE1-CE2 3.92Å; F13-Y40 HydrophobicContact CE1-CG 4.48Å; F13-I42 HydrophobicContact CB-CD1 3.93Å; F13-I42 HydrophobicContact CD1-CD1 4.13Å; F13-I42 HydrophobicContact CG-CD1 4.16Å; F13-Y79 HydrophobicContact CE1-CD2 4.43Å; F13-Y79 HydrophobicContact CE1-CE2 4.41Å; F13-Y79 AromaticContact CZ-CD2 3.68Å; F13-Y79 HydrophobicContact CZ-CD2 3.68Å; F13-Y79 AromaticContact CZ-CE2 3.76Å; F13-Y79 HydrophobicContact CZ-CE2 3.76Å; F13-Y79 HydrophobicContact CZ-CG 4.32Å; F13-L81 HydrophobicContact CD2-CD1 4.01Å; F13-L81 HydrophobicContact CE2-CD1 3.65Å; F13-V90 HydrophobicContact CD1-CG1 4.28Å; F13-V90 HydrophobicContact CE1-CG1 3.65Å; F13-V90 HydrophobicContact CE1-CG2 4.4Å; F13-V90 HydrophobicContact CE2-CG2 4.35Å; F13-V90 HydrophobicContact CZ-CG1 4.02Å; F13-V90 HydrophobicContact CZ-CG2 4.19Å
14V94.1Very high80.1Confident67 Ų6759.1 Ų59.141%0.40635%0.35SS..EExtended strand (participates in β ladder)trans-107.4124.3172179.80000107.7G30 A31 A33V14-G30 CarbonylContact O-C 3.56Å; V14-G30 WeakPolarHBondContact O-CA 3.28Å; V14-A31 PolarHBondContact N-O 3.27Å; V14-A31 PolarHBondContact O-N 2.9Å; V14-A33 HydrophobicContact CG2-CB 3.94Å
15M93.9Very high81.7Confident58 Ų5853.6 Ų53.629%0.28632%0.324SS..EExtended strand (participates in β ladder)trans-75.4123.4171.7-60.3-63.3176.500108.8I10 F28 I42 I44 Y88I10-M15 HydrophobicContact CD1-CE 3.66Å; I10-M15 HydrophobicContact CG1-CE 4.08Å; M15-F28 HydrophobicContact CB-CD1 4.44Å; M15-F28 HydrophobicContact SD-CB 3.77Å; M15-F28 HydrophobicContact SD-CG 4.25Å; M15-I42 HydrophobicContact CE-CB 4.28Å; M15-I42 HydrophobicContact CE-CD1 4.02Å; M15-I42 HydrophobicContact CE-CG2 3.84Å; M15-I42 HydrophobicContact SD-CB 4.27Å; M15-I42 HydrophobicContact SD-CD1 3.92Å; M15-I42 HydrophobicContact SD-CG2 4.47Å; M15-I44 HydrophobicContact CE-CD1 3.71Å; M15-I44 HydrophobicContact CE-CG1 4.34Å; M15-I44 HydrophobicContact SD-CD1 4.24Å; M15-Y88 HydrophobicContact CE-CD1 4.29Å; M15-Y88 HydrophobicContact CE-CE1 4.32Å
16I91.9Very high83.3Confident65 Ų6547.2 Ų47.233%0.33329%0.289SS..EExtended strand (participates in β ladder)trans-92.4-59.4-177.1-61.6172.3000109.9L29 A31 T724I16-L29 WeakPolarHBondContact CA-O 3.41Å; I16-L29 HydrophobicContact CB-CB 4.41Å; I16-L29 HydrophobicContact CB-CD2 4.4Å; I16-L29 WeakPolarHBondContact CB-O 3.45Å; I16-L29 HydrophobicContact CD1-CD2 4.3Å; I16-L29 HydrophobicContact CD1-CG 4.37Å; I16-L29 HydrophobicContact CG2-CD2 4.28Å; I16-L29 PolarHBondContact N-O 3.28Å; I16-A31 HydrophobicContact CD1-CB 3.8Å; I16-T724 HydrophobicContact CD1-CG2 4.22Å
17K89.9Confident84.4Confident66 Ų6644.7 Ų44.729%0.28727%0.27SS..EExtended strand (participates in β ladder)trans-159.5152.5-179.466-174.8-172179.10111.6F28 L29 T724 T726K17-F28 CarbonylContact O-C 3.56Å; K17-F28 WeakPolarHBondContact O-CA 3.48Å; K17-L29 HydrophobicContact CG-CB 4.13Å; K17-L29 HydrophobicContact CG-CD2 4.45Å; K17-L29 PolarHBondContact N-O 2.66Å; K17-L29 PolarHBondContact O-N 3.21Å; K17-T724 WeakPolarHBondContact CE-O 3.35Å; K17-T724 PolarHBondContact NZ-O 3.4Å; K17-T726 WeakPolarHBondContact CE-OG1 3.41Å; K17-T726 PolarHBondContact NZ-OG1 2.88Å
18P89.1Confident85Confident27 Ų2741.9 Ų41.918%0.17525%0.245CC..EExtended strand (participates in β ladder)trans-67.3142.5171.729.8-34.3000110.2F28 L743P18-F28 HydrophobicContact CB-CD1 4.07Å; P18-F28 HydrophobicContact CB-CE1 3.68Å; P18-F28 HydrophobicContact CB-CZ 3.96Å; P18-F28 HydrophobicContact CG-CE1 4.2Å; P18-L743 HydrophobicContact CB-CB 3.75Å; P18-L743 HydrophobicContact CB-CD2 4.34Å; P18-L743 HydrophobicContact CG-CB 3.62Å
19I87.5Confident85.4Confident4 Ų440.4 Ų40.42%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-118.1-30.517962.4175.8000113V27 L29 A41 Y93 T726 N733I19-V27 HydrophobicContact CD1-CB 4.39Å; I19-V27 HydrophobicContact CD1-CG1 3.68Å; I19-V27 HydrophobicContact CG1-CB 3.89Å; I19-V27 HydrophobicContact CG1-CG1 3.73Å; I19-V27 WeakPolarHBondContact CG1-O 3.34Å; I19-V27 PolarHBondContact N-O 2.84Å; I19-L29 HydrophobicContact CG2-CB 3.69Å; I19-A41 HydrophobicContact CD1-CB 4.19Å; I19-Y93 HydrophobicContact CD1-CD2 4.37Å; I19-Y93 HydrophobicContact CD1-CE2 4.24Å; I19-T726 HydrophobicContact CB-CG2 4.43Å; I19-T726 HydrophobicContact CG2-CG2 3.46Å; I19-T726 VanDerWaalsContact CG2-CG2 3.46Å; I19-N733 PolarHBondContact O-ND2 3.39Å
20S83Confident85.6Confident14 Ų1438.4 Ų38.410%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-157.8153.1-179.8179.70000111.5V27S20-V27 PolarHBondContact N-O 3.23Å; S20-V27 PolarHBondContact O-N 3.09Å
21K72.9Confident85.6Confident60 Ų6037.1 Ų37.126%0.26122%0.215SC..EExtended strand (participates in β ladder)trans-115114.7170.8-170.9175.4177.6-178.40108.1Y738 D742 L743K21-Y738 HydrophobicContact CB-CD2 4.16Å; K21-Y738 HydrophobicContact CB-CE1 4.42Å; K21-Y738 HydrophobicContact CB-CE2 3.99Å; K21-Y738 HydrophobicContact CB-CG 4.44Å; K21-Y738 HydrophobicContact CD-CD1 4.04Å; K21-Y738 HydrophobicContact CD-CE1 4Å; K21-Y738 HydrophobicContact CG-CE1 4.49Å; K21-Y738 PolarHBondContact O-OH 3.2Å; K21-D742 HydrophobicContact CD-CB 4.41Å; K21-D742 IonicContact NZ-OD1 3.11Å; K21-D742 PolarHBondContact NZ-OD1 2.9Å; K21-D742 VanDerWaalsContact NZ-OD1 3.09Å; K21-L743 HydrophobicContact CB-CD2 4.13Å
22G65Low85.5Confident32 Ų3233.4 Ų33.433%0.3319%0.192SC..EExtended strand (participates in β ladder)trans-101.1174.8175.700000112.1F24 G25G22-F24 PolarHBondContact O-N 3.11Å; G22-G25 PolarHBondContact N-O 2.93Å
23A58.6Low85.4Confident77 Ų7733.6 Ų33.664%0.63620%0.202SC*.THydrogen-bonded Turntrans-62.7-27.217800000113.5
24F62.8Low85.1Confident28 Ų2839 Ų3912%0.12323%0.231CC..THydrogen-bonded Turntrans-103.8-7.2-172.2-47.2-57.2000114G22 M45 L55 K58G22-F24 PolarHBondContact O-N 3.11Å; F24-M45 WeakPolarHBondContact O-CG 3.34Å; F24-L55 HydrophobicContact CD1-CD1 3.68Å; F24-L55 HydrophobicContact CD1-CD2 4.09Å; F24-L55 HydrophobicContact CD1-CG 4.43Å; F24-L55 HydrophobicContact CE1-CD1 4.27Å; F24-L55 HydrophobicContact CE1-CD2 3.83Å; F24-K58 HydrophobicContact CE1-CD 4.49Å
25G73.6Confident84.9Confident17 Ų1738.5 Ų38.518%0.17523%0.226CC..EExtended strand (participates in β ladder)trans159.1-169.8-173.400000113.6G22 I44G22-G25 PolarHBondContact N-O 2.93Å; G25-I44 VanDerWaalsContact CA-O 3.31Å; G25-I44 WeakPolarHBondContact CA-O 3.15Å
26K86Confident84.5Confident28 Ų2840.4 Ų40.412%0.12224%0.236CC..EExtended strand (participates in β ladder)trans-107.3144.1-179.1-65.5178.9172.6-165.30109.8F28 I44 D742 L743K26-F28 HydrophobicContact CB-CD2 4.21Å; K26-F28 HydrophobicContact CB-CE2 3.64Å; K26-F28 HydrophobicContact CD-CE2 4.2Å; K26-F28 HydrophobicContact CD-CZ 4.47Å; K26-I44 PolarHBondContact N-O 3.04Å; K26-I44 PolarHBondContact O-N 3.31Å; K26-D742 WeakPolarHBondContact CE-O 3.41Å; K26-D742 PolarHBondContact NZ-O 3.38Å; K26-L743 WeakPolarHBondContact CD-O 3.39Å; K26-L743 WeakPolarHBondContact CE-O 3.05Å; K26-L743 PolarHBondContact NZ-O 3.1Å
27V91Very high84.2Confident23 Ų2343.3 Ų43.314%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-108.3128.8172.8-167.80000108I19 S20 A41 I42 K43I19-V27 HydrophobicContact CD1-CB 4.39Å; I19-V27 HydrophobicContact CD1-CG1 3.68Å; I19-V27 HydrophobicContact CG1-CB 3.89Å; I19-V27 HydrophobicContact CG1-CG1 3.73Å; I19-V27 WeakPolarHBondContact CG1-O 3.34Å; I19-V27 PolarHBondContact N-O 2.84Å; S20-V27 PolarHBondContact N-O 3.23Å; S20-V27 PolarHBondContact O-N 3.09Å; V27-A41 HydrophobicContact CG1-CB 4.15Å; V27-I42 WeakPolarHBondContact CA-O 3.15Å; V27-K43 HydrophobicContact CG2-CB 4.2Å; V27-K43 HydrophobicContact CG2-CG 4.18Å
28F93.5Very high84.1Confident9 Ų945.4 Ų45.44%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-112.5144.7176.7-76.8-99.5000110.3M15 K17 P18 K26 A41 I42 I44 V747M15-F28 HydrophobicContact CB-CD1 4.44Å; M15-F28 HydrophobicContact SD-CB 3.77Å; M15-F28 HydrophobicContact SD-CG 4.25Å; K17-F28 CarbonylContact O-C 3.56Å; K17-F28 WeakPolarHBondContact O-CA 3.48Å; P18-F28 HydrophobicContact CB-CD1 4.07Å; P18-F28 HydrophobicContact CB-CE1 3.68Å; P18-F28 HydrophobicContact CB-CZ 3.96Å; P18-F28 HydrophobicContact CG-CE1 4.2Å; K26-F28 HydrophobicContact CB-CD2 4.21Å; K26-F28 HydrophobicContact CB-CE2 3.64Å; K26-F28 HydrophobicContact CD-CE2 4.2Å; K26-F28 HydrophobicContact CD-CZ 4.47Å; F28-A41 CarbonylContact O-C 3.53Å; F28-A41 WeakPolarHBondContact O-CA 3.24Å; F28-I42 PolarHBondContact N-O 2.97Å; F28-I42 PolarHBondContact O-N 3.32Å; F28-I44 HydrophobicContact CD2-CD1 3.55Å; F28-I44 HydrophobicContact CD2-CG1 4.21Å; F28-I44 HydrophobicContact CE2-CD1 3.92Å; F28-I44 HydrophobicContact CG-CD1 4.34Å; F28-V747 HydrophobicContact CE1-CG2 3.72Å; F28-V747 HydrophobicContact CE2-CG2 4.28Å; F28-V747 HydrophobicContact CZ-CG2 3.34Å
29L94.9Very high84.3Confident0 Ų045.4 Ų45.40%026%0.26CS..EExtended strand (participates in β ladder)trans-70.3127.4156.2-16771.4000107.2I16 K17 I19 I39 Y93 T724 T726I16-L29 WeakPolarHBondContact CA-O 3.41Å; I16-L29 HydrophobicContact CB-CB 4.41Å; I16-L29 HydrophobicContact CB-CD2 4.4Å; I16-L29 WeakPolarHBondContact CB-O 3.45Å; I16-L29 HydrophobicContact CD1-CD2 4.3Å; I16-L29 HydrophobicContact CD1-CG 4.37Å; I16-L29 HydrophobicContact CG2-CD2 4.28Å; I16-L29 PolarHBondContact N-O 3.28Å; K17-L29 HydrophobicContact CG-CB 4.13Å; K17-L29 HydrophobicContact CG-CD2 4.45Å; K17-L29 PolarHBondContact N-O 2.66Å; K17-L29 PolarHBondContact O-N 3.21Å; I19-L29 HydrophobicContact CG2-CB 3.69Å; L29-I39 HydrophobicContact CD1-CG2 3.32Å; L29-I39 HydrophobicContact CD2-CG2 4.42Å; L29-I39 HydrophobicContact CG-CG2 3.89Å; L29-Y93 HydrophobicContact CD1-CD1 3.77Å; L29-Y93 HydrophobicContact CD1-CD2 3.57Å; L29-Y93 HydrophobicContact CD1-CE1 3.88Å; L29-Y93 HydrophobicContact CD1-CE2 3.71Å; L29-Y93 HydrophobicContact CD1-CG 3.61Å; L29-T724 HydrophobicContact CD2-CG2 4.13Å; L29-T726 HydrophobicContact CD2-CG2 4.33Å
30G95Very high84.6Confident0 Ų046 Ų460%026%0.263CS..EExtended strand (participates in β ladder)trans-134.2166.7174.200000111.1V14 I39 Y40V14-G30 CarbonylContact O-C 3.56Å; V14-G30 WeakPolarHBondContact O-CA 3.28Å; G30-I39 CarbonylContact O-C 3.54Å; G30-I39 WeakPolarHBondContact O-CA 3.31Å; G30-Y40 PolarHBondContact N-O 2.81Å; G30-Y40 PolarHBondContact O-N 2.73Å
31A93.8Very high85.2Confident0 Ų045.9 Ų45.90%026%0.262CS..EExtended strand (participates in β ladder)trans-138.9159.2173.900000111.1F13 V14 I16 A33 I36 F38 I39F13-A31 CarbonylContact C-O 3.6Å; F13-A31 VanDerWaalsContact CA-O 3.29Å; F13-A31 WeakPolarHBondContact CA-O 3.5Å; V14-A31 PolarHBondContact N-O 3.27Å; V14-A31 PolarHBondContact O-N 2.9Å; I16-A31 HydrophobicContact CD1-CB 3.8Å; A31-A33 PolarHBondContact O-N 2.87Å; A31-I36 HydrophobicContact CB-CD1 3.62Å; A31-I36 HydrophobicContact CB-CG1 4.04Å; A31-I36 WeakPolarHBondContact CB-O 3.29Å; A31-F38 CarbonylContact C-O 3.51Å; A31-F38 WeakPolarHBondContact CA-O 3.47Å; A31-F38 WeakPolarHBondContact CB-O 3.13Å; A31-I39 HydrophobicContact CB-CG1 4.4Å
32K91.7Very high86.2Confident56 Ų5643 Ų4324%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-68.6128.9177-152.4172.8176.6168.20110N34 N35 F38 Y40K32-N34 WeakPolarHBondContact CD-OD1 3.37Å; K32-N34 WeakPolarHBondContact CE-OD1 3.39Å; K32-N34 WeakPolarHBondContact CG-OD1 3.29Å; K32-N34 PolarHBondContact O-N 3.39Å; K32-N34 VanDerWaalsContact O-N 3.1Å; K32-N35 CarbonylContact O-C 3.59Å; K32-N35 PolarHBondContact O-N 2.75Å; K32-F38 HydrophobicContact CB-CB 4.22Å; K32-F38 PolarHBondContact N-O 3.38Å; K32-Y40 HydrophobicContact CB-CE2 4.28Å
33A90.6Very high87.5Confident60 Ų6042.3 Ų42.350%0.49624%0.237SC..THydrogen-bonded Turntrans-60-29.1-17500000113.2D12 V14 A31D12-A33 WeakPolarHBondContact O-CB 3.39Å; D12-A33 PolarHBondContact O-N 3.11Å; V14-A33 HydrophobicContact CG2-CB 3.94Å; A31-A33 PolarHBondContact O-N 2.87Å
34N89Confident89.1Confident127 Ų12740.1 Ų40.168%0.67922%0.215SC*.THydrogen-bonded Turntrans-86.3-12.1178.772.3-11.5000114.2K32K32-N34 WeakPolarHBondContact CD-OD1 3.37Å; K32-N34 WeakPolarHBondContact CE-OD1 3.39Å; K32-N34 WeakPolarHBondContact CG-OD1 3.29Å; K32-N34 PolarHBondContact O-N 3.39Å; K32-N34 VanDerWaalsContact O-N 3.1Å
35N88.6Confident90.5Very high58 Ų5838.8 Ų38.831%0.3121%0.209SC..EExtended strand (participates in β ladder)trans-160.8104.2176.3-177.9-15.8000109.6K32 D37 F38K32-N35 CarbonylContact O-C 3.59Å; K32-N35 PolarHBondContact O-N 2.75Å; N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 VanDerWaalsContact OD1-CB 3.3Å; N35-D37 WeakPolarHBondContact OD1-CB 3.23Å; N35-D37 PolarHBondContact OD1-N 2.64Å; N35-F38 HydrophobicContact CB-CD2 3.75Å; N35-F38 HydrophobicContact CB-CE2 4.2Å; N35-F38 VanDerWaalsContact CG-CD2 3.48Å; N35-F38 WeakPolarHBondContact ND2-CD2 3.17Å; N35-F38 WeakPolarHBondContact ND2-CE2 3.13Å; N35-F38 PolarHBondContact O-N 3.27Å
36I85.4Confident91.2Very high97 Ų9739.1 Ų39.150%0.49721%0.209SC..EExtended strand (participates in β ladder)trans-67.7-17.2-175.3-156.578000113.3A31 F38A31-I36 HydrophobicContact CB-CD1 3.62Å; A31-I36 HydrophobicContact CB-CG1 4.04Å; A31-I36 WeakPolarHBondContact CB-O 3.29Å; I36-F38 PolarHBondContact O-N 2.79Å
37D85.6Confident91.4Very high126 Ų12638.7 Ų38.767%0.67421%0.207SC*.EExtended strand (participates in β ladder)trans-71.3-19.7177.9-57.6-31.6000111.8N35 I39N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 VanDerWaalsContact OD1-CB 3.3Å; N35-D37 WeakPolarHBondContact OD1-CB 3.23Å; N35-D37 PolarHBondContact OD1-N 2.64Å; D37-I39 PolarHBondContact O-N 3.06Å
38F89.2Confident91.4Very high111 Ų11144.9 Ų44.949%0.48723%0.234SC..EExtended strand (participates in β ladder)trans-87.194.7173.3-69.4-73.3000110.5A31 K32 N35 I36 Y40A31-F38 CarbonylContact C-O 3.51Å; A31-F38 WeakPolarHBondContact CA-O 3.47Å; A31-F38 WeakPolarHBondContact CB-O 3.13Å; K32-F38 HydrophobicContact CB-CB 4.22Å; K32-F38 PolarHBondContact N-O 3.38Å; N35-F38 HydrophobicContact CB-CD2 3.75Å; N35-F38 HydrophobicContact CB-CE2 4.2Å; N35-F38 VanDerWaalsContact CG-CD2 3.48Å; N35-F38 WeakPolarHBondContact ND2-CD2 3.17Å; N35-F38 WeakPolarHBondContact ND2-CE2 3.13Å; N35-F38 PolarHBondContact O-N 3.27Å; I36-F38 PolarHBondContact O-N 2.79Å; F38-Y40 HydrophobicContact CB-CE2 3.88Å; F38-Y40 WeakPolarHBondContact O-CD2 3.05Å; F38-Y40 VanDerWaalsContact O-CE2 3.23Å; F38-Y40 WeakPolarHBondContact O-CE2 3.33Å
39I92.5Very high91Very high26 Ų2648.3 Ų48.313%0.13325%0.25CS..EExtended strand (participates in β ladder)trans-96.6144.6-177.1-61.1176.6000111L29 G30 A31 D37 Y93 S723 T724L29-I39 HydrophobicContact CD1-CG2 3.32Å; L29-I39 HydrophobicContact CD2-CG2 4.42Å; L29-I39 HydrophobicContact CG-CG2 3.89Å; G30-I39 CarbonylContact O-C 3.54Å; G30-I39 WeakPolarHBondContact O-CA 3.31Å; A31-I39 HydrophobicContact CB-CG1 4.4Å; D37-I39 PolarHBondContact O-N 3.06Å; I39-Y93 HydrophobicContact CG2-CD1 3.91Å; I39-Y93 HydrophobicContact CG2-CG 4.14Å; I39-S723 VanDerWaalsContact CD1-CB 3.47Å; I39-S723 WeakPolarHBondContact CD1-O 3.19Å; I39-S723 WeakPolarHBondContact CD1-OG 3.29Å; I39-T724 HydrophobicContact CD1-CG2 3.87Å
40Y95.2Very high90.5Very high18 Ų1848.5 Ų48.57%0.07125%0.251CS..EExtended strand (participates in β ladder)trans-140.2154.8-175.4-59.7-77.7000111.3F13 G30 K32 F38 Y78 V90 M91F13-Y40 HydrophobicContact CD1-CD2 4.08Å; F13-Y40 HydrophobicContact CD1-CE2 4.44Å; F13-Y40 AromaticContact CE1-CD2 3.85Å; F13-Y40 HydrophobicContact CE1-CD2 3.85Å; F13-Y40 AromaticContact CE1-CE2 3.92Å; F13-Y40 HydrophobicContact CE1-CE2 3.92Å; F13-Y40 HydrophobicContact CE1-CG 4.48Å; G30-Y40 PolarHBondContact N-O 2.81Å; G30-Y40 PolarHBondContact O-N 2.73Å; K32-Y40 HydrophobicContact CB-CE2 4.28Å; F38-Y40 HydrophobicContact CB-CE2 3.88Å; F38-Y40 WeakPolarHBondContact O-CD2 3.05Å; F38-Y40 VanDerWaalsContact O-CE2 3.23Å; F38-Y40 WeakPolarHBondContact O-CE2 3.33Å; Y40-Y78 AromaticContact CD1-CD2 3.58Å; Y40-Y78 HydrophobicContact CD1-CD2 3.58Å; Y40-Y78 AromaticContact CD1-CE2 3.91Å; Y40-Y78 HydrophobicContact CD1-CE2 3.91Å; Y40-Y78 HydrophobicContact CD1-CG 4.32Å; Y40-Y78 HydrophobicContact CE1-CD1 4.46Å; Y40-Y78 AromaticContact CE1-CD2 3.46Å; Y40-Y78 HydrophobicContact CE1-CD2 3.46Å; Y40-Y78 VanDerWaalsContact CE1-CD2 3.46Å; Y40-Y78 AromaticContact CE1-CE2 3.7Å; Y40-Y78 HydrophobicContact CE1-CE2 3.7Å; Y40-Y78 AromaticContact CE1-CG 3.86Å; Y40-Y78 HydrophobicContact CE1-CG 3.86Å; Y40-V90 HydrophobicContact CD1-CG1 3.78Å; Y40-V90 HydrophobicContact CD2-CG1 4.28Å; Y40-V90 HydrophobicContact CG-CG1 3.65Å; Y40-M91 WeakPolarHBondContact CA-O 3.39Å; Y40-M91 WeakPolarHBondContact CB-O 3.23Å
41A94.6Very high90.1Very high10 Ų1054.6 Ų54.68%0.08327%0.274CS..EExtended strand (participates in β ladder)trans-94121.8161.700000108.8I19 V27 F28 M91 Y93I19-A41 HydrophobicContact CD1-CB 4.19Å; V27-A41 HydrophobicContact CG1-CB 4.15Å; F28-A41 CarbonylContact O-C 3.53Å; F28-A41 WeakPolarHBondContact O-CA 3.24Å; A41-M91 PolarHBondContact N-O 3.38Å; A41-M91 PolarHBondContact O-N 2.76Å; A41-Y93 HydrophobicContact CB-CD2 4.45Å
42I94.4Very high89.7Confident0 Ų062.8 Ų62.80%031%0.31CS..EExtended strand (participates in β ladder)trans-113.7107.6-176.9-50.9179.7000109.4I10 F13 M15 V27 F28 I44 Y88 L89 V90I10-I42 HydrophobicContact CD1-CG2 4.38Å; F13-I42 HydrophobicContact CB-CD1 3.93Å; F13-I42 HydrophobicContact CD1-CD1 4.13Å; F13-I42 HydrophobicContact CG-CD1 4.16Å; M15-I42 HydrophobicContact CE-CB 4.28Å; M15-I42 HydrophobicContact CE-CD1 4.02Å; M15-I42 HydrophobicContact CE-CG2 3.84Å; M15-I42 HydrophobicContact SD-CB 4.27Å; M15-I42 HydrophobicContact SD-CD1 3.92Å; M15-I42 HydrophobicContact SD-CG2 4.47Å; V27-I42 WeakPolarHBondContact CA-O 3.15Å; F28-I42 PolarHBondContact N-O 2.97Å; F28-I42 PolarHBondContact O-N 3.32Å; I42-I44 HydrophobicContact CG2-CG1 4.33Å; I42-Y88 HydrophobicContact CG2-CD1 4.22Å; I42-L89 WeakPolarHBondContact CA-O 3.22Å; I42-V90 HydrophobicContact CG1-CG1 4.32Å; I42-V90 HydrophobicContact CG1-CG2 4.35Å; I42-V90 HydrophobicContact CG2-CG2 4.29Å
43K92.1Very high89.3Confident17 Ų1765.1 Ų65.17%0.07432%0.32CS..EExtended strand (participates in β ladder)trans-85.9120.4174.8-175.8174.4-177.9-178.60109.1V27 M45 E62 Y88 L89 M91 D155V27-K43 HydrophobicContact CG2-CB 4.2Å; V27-K43 HydrophobicContact CG2-CG 4.18Å; K43-M45 HydrophobicContact CD-SD 4.43Å; K43-M45 HydrophobicContact CG-CG 4.28Å; K43-M45 HydrophobicContact CG-SD 4.38Å; K43-E62 IonicContact NZ-OE1 3.77Å; K43-E62 PolarHBondContact NZ-OE1 2.91Å; K43-E62 IonicContact NZ-OE2 2.82Å; K43-E62 PolarHBondContact NZ-OE2 3.05Å; K43-Y88 WeakPolarHBondContact O-CA 3.45Å; K43-L89 HydrophobicContact CB-CB 4.3Å; K43-L89 PolarHBondContact N-O 3.07Å; K43-L89 PolarHBondContact O-N 3.25Å; K43-M91 HydrophobicContact CB-CE 3.66Å; K43-D155 IonicContact NZ-OD1 3.57Å; K43-D155 PolarHBondContact NZ-OD1 3.11Å; K43-D155 VanDerWaalsContact NZ-OD1 3.09Å
44I92.7Very high88.9Confident31 Ų3169 Ų6916%0.15933%0.333CS..EExtended strand (participates in β ladder)trans-108.8126-176.3-48.4-179.4000109.1M15 G25 K26 F28 I42 H86 Y88M15-I44 HydrophobicContact CE-CD1 3.71Å; M15-I44 HydrophobicContact CE-CG1 4.34Å; M15-I44 HydrophobicContact SD-CD1 4.24Å; G25-I44 VanDerWaalsContact CA-O 3.31Å; G25-I44 WeakPolarHBondContact CA-O 3.15Å; K26-I44 PolarHBondContact N-O 3.04Å; K26-I44 PolarHBondContact O-N 3.31Å; F28-I44 HydrophobicContact CD2-CD1 3.55Å; F28-I44 HydrophobicContact CD2-CG1 4.21Å; F28-I44 HydrophobicContact CE2-CD1 3.92Å; F28-I44 HydrophobicContact CG-CD1 4.34Å; I42-I44 HydrophobicContact CG2-CG1 4.33Å; I44-H86 HydrophobicContact CG2-CB 4.4Å; I44-Y88 HydrophobicContact CB-CD1 4.35Å; I44-Y88 HydrophobicContact CB-CE1 4.37Å; I44-Y88 HydrophobicContact CD1-CD1 4.39Å; I44-Y88 HydrophobicContact CD1-CE1 4.14Å; I44-Y88 HydrophobicContact CG1-CD1 3.86Å; I44-Y88 HydrophobicContact CG1-CE1 4.01Å; I44-Y88 HydrophobicContact CG2-CD1 4.05Å; I44-Y88 HydrophobicContact CG2-CE1 3.67Å
45M90.3Very high88.5Confident1 Ų163.8 Ų63.81%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-131.4128.6-175.6-60170.9-71.400111F24 K43 M50 V59 H86 I87 L89F24-M45 WeakPolarHBondContact O-CG 3.34Å; K43-M45 HydrophobicContact CD-SD 4.43Å; K43-M45 HydrophobicContact CG-CG 4.28Å; K43-M45 HydrophobicContact CG-SD 4.38Å; M45-M50 HydrophobicContact CB-CE 3.83Å; M45-M50 HydrophobicContact CB-SD 4.11Å; M45-V59 HydrophobicContact CE-CG1 3.64Å; M45-V59 HydrophobicContact CE-CG2 4.47Å; M45-V59 HydrophobicContact SD-CB 4.45Å; M45-V59 HydrophobicContact SD-CG1 3.94Å; M45-V59 HydrophobicContact SD-CG2 3.64Å; M45-H86 CarbonylContact O-C 3.56Å; M45-H86 VanDerWaalsContact O-CA 3.28Å; M45-H86 WeakPolarHBondContact O-CA 3.35Å; M45-I87 HydrophobicContact CE-CB 4.26Å; M45-I87 HydrophobicContact CE-CG2 3.89Å; M45-I87 PolarHBondContact N-O 3.47Å; M45-I87 PolarHBondContact O-N 2.87Å; M45-L89 HydrophobicContact CE-CD1 3.75Å; M45-L89 HydrophobicContact CE-CD2 4.48Å; M45-L89 HydrophobicContact CE-CG 3.67Å
46S90.1Very high88.3Confident24 Ų2463 Ų6317%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-76.5127.2178.11640000111.3E48 E49 M50S46-E48 VanDerWaalsContact C-N 3.29Å; S46-E48 PolarHBondContact O-N 3.48Å; S46-E48 PolarHBondContact OG-N 2.59Å; S46-E49 PolarHBondContact O-N 2.79Å; S46-E49 PolarHBondContact OG-N 2.93Å; S46-M50 WeakPolarHBondContact O-CB 3.49Å; S46-M50 WeakPolarHBondContact O-CE 3.35Å; S46-M50 VanDerWaalsContact O-CG 3.29Å; S46-M50 WeakPolarHBondContact O-CG 3.2Å; S46-M50 PolarHBondContact O-N 2.86Å
47K90.1Very high88.1Confident19 Ų1966.1 Ų66.18%0.08331%0.314CS..Hα-helixtrans-63.1-37.5176.3-71.1-179.4173.5-174.20111.9M50 R51 T83 S85 I87 A200 F201K47-M50 HydrophobicContact CB-CE 4.35Å; K47-M50 HydrophobicContact CG-CE 3.91Å; K47-M50 PolarHBondContact O-N 3.04Å; K47-R51 WeakPolarHBondContact O-CG 3.49Å; K47-R51 PolarHBondContact O-N 3.04Å; K47-T83 VanDerWaalsContact CE-O 3.31Å; K47-T83 WeakPolarHBondContact CE-O 3.09Å; K47-T83 PolarHBondContact NZ-O 3.29Å; K47-S85 WeakPolarHBondContact CB-O 3.45Å; K47-S85 PolarHBondContact N-O 3.3Å; K47-I87 HydrophobicContact CG-CD1 4.43Å; K47-I87 HydrophobicContact CG-CG1 4.08Å; K47-A200 VanDerWaalsContact CE-O 3.25Å; K47-A200 WeakPolarHBondContact CE-O 3.23Å; K47-A200 PolarHBondContact NZ-O 2.8Å; K47-F201 HydrophobicContact CG-CD1 4.39Å; K47-F201 HydrophobicContact CG-CE1 4.4Å
48E89.5Confident87.8Confident152 Ų15263 Ų6371%0.7129%0.294SS*.Hα-helixtrans-62.8-49.2175.7-173.3-173.3164.300110.9S46 M50 R51 K52S46-E48 VanDerWaalsContact C-N 3.29Å; S46-E48 PolarHBondContact O-N 3.48Å; S46-E48 PolarHBondContact OG-N 2.59Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.79Å; E48-R51 PolarHBondContact O-N 2.86Å; E48-K52 WeakPolarHBondContact O-CB 3.4Å; E48-K52 PolarHBondContact O-N 2.69Å
49E85.8Confident87.5Confident82 Ų8257.8 Ų57.838%0.38327%0.272SS..Hα-helixtrans-63.4-40.5177.8-72.7-161.7-161.400112.1S46 R51 K52 K53S46-E49 PolarHBondContact O-N 2.79Å; S46-E49 PolarHBondContact OG-N 2.93Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.82Å; E49-K52 PolarHBondContact O-N 3.38Å; E49-K53 WeakPolarHBondContact O-CB 3.3Å; E49-K53 WeakPolarHBondContact O-CG 3.3Å; E49-K53 PolarHBondContact O-N 3.47Å; E49-K53 IonicContact OE2-NZ 3.66Å; E49-K53 PolarHBondContact OE2-NZ 3.13Å
50M85.1Confident87.1Confident3 Ų358.3 Ų58.32%0.01528%0.276CS..Hα-helixtrans-59.8-41.9176.8-77.7-175.9-82.800111.8M45 S46 K47 E48 N54 L55 V56 V59 I87 F201M45-M50 HydrophobicContact CB-CE 3.83Å; M45-M50 HydrophobicContact CB-SD 4.11Å; S46-M50 WeakPolarHBondContact O-CB 3.49Å; S46-M50 WeakPolarHBondContact O-CE 3.35Å; S46-M50 VanDerWaalsContact O-CG 3.29Å; S46-M50 WeakPolarHBondContact O-CG 3.2Å; S46-M50 PolarHBondContact O-N 2.86Å; K47-M50 HydrophobicContact CB-CE 4.35Å; K47-M50 HydrophobicContact CG-CE 3.91Å; K47-M50 PolarHBondContact O-N 3.04Å; E48-M50 VanDerWaalsContact C-N 3.33Å; E48-M50 PolarHBondContact O-N 2.79Å; M50-N54 PolarHBondContact O-N 3.29Å; M50-N54 VanDerWaalsContact O-N 3.12Å; M50-L55 HydrophobicContact CB-CB 4.44Å; M50-L55 HydrophobicContact CG-CB 4.36Å; M50-L55 PolarHBondContact O-N 3.2Å; M50-V56 HydrophobicContact CB-CG2 4.41Å; M50-V59 HydrophobicContact CG-CG2 4.27Å; M50-V59 HydrophobicContact SD-CB 3.9Å; M50-V59 HydrophobicContact SD-CG1 3.93Å; M50-V59 HydrophobicContact SD-CG2 3.55Å; M50-V59 VanDerWaalsContact SD-CG2 3.55Å; M50-I87 HydrophobicContact CE-CB 4.04Å; M50-I87 HydrophobicContact CE-CD1 3.52Å; M50-I87 HydrophobicContact CE-CG1 3.75Å; M50-I87 HydrophobicContact SD-CD1 4.12Å; M50-F201 HydrophobicContact CB-CE1 4.25Å; M50-F201 HydrophobicContact CE-CE1 3.92Å; M50-F201 HydrophobicContact SD-CE1 3.9Å; M50-F201 HydrophobicContact SD-CZ 4.22Å
51R86.1Confident86.4Confident128 Ų12859 Ų5948%0.48328%0.283SS..Hα-helixtrans-66.8-49.3175-71.4-178.872.4103.96.5111K47 E48 E49 K53 N54 V56 F201K47-R51 WeakPolarHBondContact O-CG 3.49Å; K47-R51 PolarHBondContact O-N 3.04Å; E48-R51 PolarHBondContact O-N 2.86Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 2.82Å; R51-K53 VanDerWaalsContact C-N 3.25Å; R51-K53 PolarHBondContact O-N 2.85Å; R51-N54 PolarHBondContact O-N 3.15Å; R51-N54 VanDerWaalsContact O-N 3.12Å; R51-N54 PolarHBondContact O-OD1 3.38Å; R51-V56 HydrophobicContact CG-CG2 4.38Å; R51-F201 PolarHBondContact NH1-O 2.63Å
52K85.5Confident85.9Confident172 Ų17258.5 Ų58.575%0.74828%0.279SS*.Hα-helixtrans-58.9-36.6-178.1-173.4176.6179.7178.30112.7E48 E49E48-K52 WeakPolarHBondContact O-CB 3.4Å; E48-K52 PolarHBondContact O-N 2.69Å; E49-K52 PolarHBondContact O-N 3.38Å
53K82.1Confident85.6Confident105 Ų10559.1 Ų59.146%0.45728%0.282SS..THydrogen-bonded Turntrans-96.46.2-179.2-63.9173.4179164.60113.5E49 R51 L55E49-K53 WeakPolarHBondContact O-CB 3.3Å; E49-K53 WeakPolarHBondContact O-CG 3.3Å; E49-K53 PolarHBondContact O-N 3.47Å; E49-K53 IonicContact OE2-NZ 3.66Å; E49-K53 PolarHBondContact OE2-NZ 3.13Å; R51-K53 VanDerWaalsContact C-N 3.25Å; R51-K53 PolarHBondContact O-N 2.85Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 HydrophobicContact CB-CD1 3.61Å; K53-L55 HydrophobicContact CB-CD2 4.45Å; K53-L55 HydrophobicContact CB-CG 3.64Å; K53-L55 HydrophobicContact CD-CD1 3.9Å; K53-L55 HydrophobicContact CG-CD1 4.41Å; K53-L55 PolarHBondContact O-N 3.08Å
54N83.2Confident85.3Confident143 Ų14359.5 Ų59.577%0.76528%0.284SS*.THydrogen-bonded Turntrans52.442.4-176.2-64-46.3000114.3M50 R51M50-N54 PolarHBondContact O-N 3.29Å; M50-N54 VanDerWaalsContact O-N 3.12Å; R51-N54 PolarHBondContact O-N 3.15Å; R51-N54 VanDerWaalsContact O-N 3.12Å; R51-N54 PolarHBondContact O-OD1 3.38Å
55L81.2Confident84.9Confident16 Ų1658.1 Ų58.18%0.08428%0.277CS..  trans-99.33.1-175.9-58.2171.7000114.1F24 M50 K53 E57 K58 V59F24-L55 HydrophobicContact CD1-CD1 3.68Å; F24-L55 HydrophobicContact CD1-CD2 4.09Å; F24-L55 HydrophobicContact CD1-CG 4.43Å; F24-L55 HydrophobicContact CE1-CD1 4.27Å; F24-L55 HydrophobicContact CE1-CD2 3.83Å; M50-L55 HydrophobicContact CB-CB 4.44Å; M50-L55 HydrophobicContact CG-CB 4.36Å; M50-L55 PolarHBondContact O-N 3.2Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 HydrophobicContact CB-CD1 3.61Å; K53-L55 HydrophobicContact CB-CD2 4.45Å; K53-L55 HydrophobicContact CB-CG 3.64Å; K53-L55 HydrophobicContact CD-CD1 3.9Å; K53-L55 HydrophobicContact CG-CD1 4.41Å; K53-L55 PolarHBondContact O-N 3.08Å; L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.03Å; L55-K58 HydrophobicContact CD2-CD 3.8Å; L55-K58 WeakPolarHBondContact O-CB 3.16Å; L55-K58 PolarHBondContact O-N 2.83Å; L55-K58 VanDerWaalsContact O-N 3.15Å; L55-V59 PolarHBondContact O-N 3.36Å
56V84.5Confident84.7Confident42 Ų4258.1 Ų58.126%0.25528%0.277SS..Hα-helixtrans-57-46.1-175170.80000112.1M50 R51 T60 F201M50-V56 HydrophobicContact CB-CG2 4.41Å; R51-V56 HydrophobicContact CG-CG2 4.38Å; V56-T60 WeakPolarHBondContact O-CB 3.49Å; V56-T60 PolarHBondContact O-N 2.98Å; V56-T60 PolarHBondContact O-OG1 3.43Å; V56-F201 HydrophobicContact CB-CE1 4.4Å; V56-F201 HydrophobicContact CB-CE2 4.44Å; V56-F201 HydrophobicContact CB-CZ 4.28Å; V56-F201 HydrophobicContact CG1-CD1 4.38Å; V56-F201 HydrophobicContact CG1-CD2 3.66Å; V56-F201 HydrophobicContact CG1-CE1 4.23Å; V56-F201 HydrophobicContact CG1-CE2 3.48Å; V56-F201 VanDerWaalsContact CG1-CE2 3.48Å; V56-F201 HydrophobicContact CG1-CG 4.11Å; V56-F201 HydrophobicContact CG1-CZ 3.78Å; V56-F201 HydrophobicContact CG2-CD1 3.77Å; V56-F201 HydrophobicContact CG2-CE1 3.76Å; V56-F201 HydrophobicContact CG2-CG 4.16Å; V56-F201 HydrophobicContact CG2-CZ 4.14Å
57E80.7Confident84.6Confident162 Ų16257 Ų5776%0.75727%0.269SS*.Hα-helixtrans-65-41.4178.4-65.1-171.7169.400111.4L55 V59 T60 C61L55-E57 VanDerWaalsContact C-N 3.34Å; L55-E57 PolarHBondContact O-N 3.03Å; E57-V59 PolarHBondContact O-N 3.22Å; E57-T60 PolarHBondContact O-N 3.24Å; E57-C61 WeakPolarHBondContact O-CB 3.16Å; E57-C61 PolarHBondContact O-N 2.78Å; E57-C61 PolarHBondContact O-SG 3.42Å
58K79Confident84.2Confident61 Ų6157.5 Ų57.527%0.26527%0.274SS..Hα-helixtrans-58.5-48.2178.4-70.2-169.7177.2178.90112.3F24 L55 T60 C61 E62 G157 L158F24-K58 HydrophobicContact CE1-CD 4.49Å; L55-K58 HydrophobicContact CD2-CD 3.8Å; L55-K58 WeakPolarHBondContact O-CB 3.16Å; L55-K58 PolarHBondContact O-N 2.83Å; L55-K58 VanDerWaalsContact O-N 3.15Å; K58-T60 VanDerWaalsContact C-N 3.32Å; K58-T60 PolarHBondContact O-N 3.1Å; K58-C61 PolarHBondContact O-N 2.97Å; K58-E62 WeakPolarHBondContact O-CB 3.47Å; K58-E62 PolarHBondContact O-N 3.1Å; K58-G157 WeakPolarHBondContact CB-O 3.41Å; K58-G157 WeakPolarHBondContact CD-O 3.23Å; K58-G157 WeakPolarHBondContact CG-O 3.44Å; K58-L158 HydrophobicContact CD-CD2 3.87Å; K58-L158 VanDerWaalsContact CE-CD2 3.45Å; K58-L158 VanDerWaalsContact NZ-CD2 3.29Å
59V83.7Confident83.9Confident1 Ų150.4 Ų50.41%0.00624%0.241CC..Hα-helixtrans-68-34.8178.3172.60000111.7M45 M50 L55 E57 R63 I87 L199M45-V59 HydrophobicContact CE-CG1 3.64Å; M45-V59 HydrophobicContact CE-CG2 4.47Å; M45-V59 HydrophobicContact SD-CB 4.45Å; M45-V59 HydrophobicContact SD-CG1 3.94Å; M45-V59 HydrophobicContact SD-CG2 3.64Å; M50-V59 HydrophobicContact CG-CG2 4.27Å; M50-V59 HydrophobicContact SD-CB 3.9Å; M50-V59 HydrophobicContact SD-CG1 3.93Å; M50-V59 HydrophobicContact SD-CG2 3.55Å; M50-V59 VanDerWaalsContact SD-CG2 3.55Å; L55-V59 PolarHBondContact O-N 3.36Å; E57-V59 PolarHBondContact O-N 3.22Å; V59-R63 WeakPolarHBondContact O-CB 3.12Å; V59-R63 PolarHBondContact O-N 2.92Å; V59-I87 HydrophobicContact CG1-CD1 4.39Å; V59-L199 HydrophobicContact CG1-CD1 4.31Å
60T84.3Confident83.6Confident37 Ų3750.3 Ų50.323%0.22724%0.24CC..Hα-helixtrans-66.8-42.6175-56.20000111.3V56 E57 K58 N64V56-T60 WeakPolarHBondContact O-CB 3.49Å; V56-T60 PolarHBondContact O-N 2.98Å; V56-T60 PolarHBondContact O-OG1 3.43Å; E57-T60 PolarHBondContact O-N 3.24Å; K58-T60 VanDerWaalsContact C-N 3.32Å; K58-T60 PolarHBondContact O-N 3.1Å; T60-N64 VanDerWaalsContact O-CB 3.26Å; T60-N64 WeakPolarHBondContact O-CB 3.48Å; T60-N64 PolarHBondContact O-N 3.47Å; T60-N64 PolarHBondContact O-ND2 3.11Å; T60-N64 PolarHBondContact O-OD1 3.14Å
61C79.9Confident83.7Confident32 Ų3250.4 Ų50.422%0.21624%0.241CC..Hα-helixtrans-61.9-47.9173.6-770000111.6E57 K58 R63 N64 A65 I161E57-C61 WeakPolarHBondContact O-CB 3.16Å; E57-C61 PolarHBondContact O-N 2.78Å; E57-C61 PolarHBondContact O-SG 3.42Å; K58-C61 PolarHBondContact O-N 2.97Å; C61-R63 PolarHBondContact O-N 3.35Å; C61-N64 PolarHBondContact O-N 3.24Å; C61-N64 VanDerWaalsContact O-N 3.16Å; C61-A65 WeakPolarHBondContact O-CB 2.79Å; C61-A65 PolarHBondContact O-N 3.42Å; C61-I161 HydrophobicContact CB-CD1 4.49Å; C61-I161 WeakPolarHBondContact O-CD1 3.3Å
62E84.7Confident84Confident1 Ų147.1 Ų47.11%0.00524%0.236CC..Hα-helixtrans-57.4-52.5178.2-177.4-179173.800111.3K43 K58 N64 A65 L66 L89 F156K43-E62 IonicContact NZ-OE1 3.77Å; K43-E62 PolarHBondContact NZ-OE1 2.91Å; K43-E62 IonicContact NZ-OE2 2.82Å; K43-E62 PolarHBondContact NZ-OE2 3.05Å; K58-E62 WeakPolarHBondContact O-CB 3.47Å; K58-E62 PolarHBondContact O-N 3.1Å; E62-N64 VanDerWaalsContact C-N 3.29Å; E62-N64 PolarHBondContact O-N 3.41Å; E62-A65 PolarHBondContact O-N 3.46Å; E62-L66 HydrophobicContact CG-CD1 3.93Å; E62-L66 WeakPolarHBondContact O-CB 3.4Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 3.26Å; E62-L89 HydrophobicContact CG-CD1 4.29Å; E62-F156 HydrophobicContact CB-CB 4.37Å; E62-F156 HydrophobicContact CG-CB 4.22Å
63R87.3Confident84.4Confident13 Ų1340 Ų405%0.04920%0.204CC..Hα-helixtrans-54.7-47.7175.5-179.4-156.365.7172.1-2110.9V59 C61 A67 L77 C80 L89 T197V59-R63 WeakPolarHBondContact O-CB 3.12Å; V59-R63 PolarHBondContact O-N 2.92Å; C61-R63 PolarHBondContact O-N 3.35Å; R63-A67 WeakPolarHBondContact O-CB 3.3Å; R63-A67 PolarHBondContact O-N 3.46Å; R63-L77 HydrophobicContact CG-CD2 4.29Å; R63-C80 WeakPolarHBondContact CD-SG 3.39Å; R63-C80 HydrophobicContact CG-CB 4.03Å; R63-L89 HydrophobicContact CB-CD2 4.29Å; R63-L89 HydrophobicContact CG-CD2 4.32Å; R63-T197 PolarHBondContact NH1-O 2.75Å
64N85.1Confident85Confident25 Ų2535.2 Ų35.213%0.13418%0.184CC..Hα-helixtrans-65.6-47.2-174.7-73.3-4.5000112.3T60 C61 E62 L66 A67 V68 I161 L167T60-N64 VanDerWaalsContact O-CB 3.26Å; T60-N64 WeakPolarHBondContact O-CB 3.48Å; T60-N64 PolarHBondContact O-N 3.47Å; T60-N64 PolarHBondContact O-ND2 3.11Å; T60-N64 PolarHBondContact O-OD1 3.14Å; C61-N64 PolarHBondContact O-N 3.24Å; C61-N64 VanDerWaalsContact O-N 3.16Å; E62-N64 VanDerWaalsContact C-N 3.29Å; E62-N64 PolarHBondContact O-N 3.41Å; N64-L66 PolarHBondContact O-N 2.97Å; N64-A67 PolarHBondContact O-N 2.94Å; N64-V68 WeakPolarHBondContact O-CG2 3.35Å; N64-V68 PolarHBondContact O-N 3Å; N64-I161 HydrophobicContact CB-CD1 3.46Å; N64-I161 VanDerWaalsContact CB-CD1 3.46Å; N64-L167 HydrophobicContact CB-CD1 4.27Å; N64-L167 HydrophobicContact CB-CD2 4.45Å; N64-L167 HydrophobicContact CB-CG 4.34Å; N64-L167 VanDerWaalsContact OD1-CD1 3.25Å; N64-L167 WeakPolarHBondContact OD1-CD1 3.18Å; N64-L167 WeakPolarHBondContact OD1-CG 3.43Å
65A84.1Confident85.5Confident1 Ų128.5 Ų28.51%0.00815%0.148CC..Hα-helixtrans-59.2-47.5178.600000111.2C61 E62 V68 S69 I133 F156 I161C61-A65 WeakPolarHBondContact O-CB 2.79Å; C61-A65 PolarHBondContact O-N 3.42Å; E62-A65 PolarHBondContact O-N 3.46Å; A65-V68 WeakPolarHBondContact O-CG2 3.39Å; A65-S69 WeakPolarHBondContact O-CB 3.34Å; A65-S69 PolarHBondContact O-N 3.34Å; A65-I133 HydrophobicContact CB-CD1 4.03Å; A65-I133 HydrophobicContact CB-CG2 4.24Å; A65-F156 HydrophobicContact CB-CB 4.06Å; A65-F156 HydrophobicContact CB-CD1 4.17Å; A65-F156 HydrophobicContact CB-CG 4.07Å; A65-I161 HydrophobicContact CB-CD1 4.22Å
66L87.5Confident85.9Confident1 Ų128.9 Ų28.91%0.00515%0.149CC..Hα-helixtrans-67.5-37.8178.9-68.8172.5000112.9E62 N64 V68 S69 I74 V75 L77 M91 F156E62-L66 HydrophobicContact CG-CD1 3.93Å; E62-L66 WeakPolarHBondContact O-CB 3.4Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 3.26Å; N64-L66 PolarHBondContact O-N 2.97Å; L66-V68 PolarHBondContact O-N 3.47Å; L66-S69 PolarHBondContact O-N 3.29Å; L66-I74 HydrophobicContact CD2-CG2 4.18Å; L66-V75 HydrophobicContact CD2-CB 4.41Å; L66-V75 VanDerWaalsContact CD2-O 3.29Å; L66-V75 WeakPolarHBondContact CD2-O 3.22Å; L66-L77 HydrophobicContact CB-CB 3.72Å; L66-L77 HydrophobicContact CB-CD2 3.96Å; L66-L77 HydrophobicContact CB-CG 4.45Å; L66-L77 HydrophobicContact CD1-CB 4.5Å; L66-M91 HydrophobicContact CD1-SD 4.38Å; L66-F156 HydrophobicContact CD2-CD2 3.49Å; L66-F156 VanDerWaalsContact CD2-CD2 3.49Å; L66-F156 HydrophobicContact CD2-CE2 3.45Å; L66-F156 VanDerWaalsContact CD2-CE2 3.45Å; L66-F156 HydrophobicContact CG-CD2 3.81Å; L66-F156 HydrophobicContact CG-CE2 4.26Å
67A86.6Confident86.3Confident0 Ų026.9 Ų26.90%014%0.137CC..Hα-helixtrans-66.5-35.3-178.200000112.8R63 N64 L77 L167 L195R63-A67 WeakPolarHBondContact O-CB 3.3Å; R63-A67 PolarHBondContact O-N 3.46Å; N64-A67 PolarHBondContact O-N 2.94Å; A67-L77 HydrophobicContact CB-CD2 4.45Å; A67-L167 HydrophobicContact CB-CD1 3.79Å; A67-L195 HydrophobicContact CB-CB 4.4Å; A67-L195 HydrophobicContact CB-CD2 4.22Å
68V82Confident86.8Confident30 Ų3022.2 Ų22.218%0.18211%0.113CC..Hα-helixtrans-87.8-16.9179-58.70000113.5N64 A65 L66 K70 Y127 I133 L167 D171N64-V68 WeakPolarHBondContact O-CG2 3.35Å; N64-V68 PolarHBondContact O-N 3Å; A65-V68 WeakPolarHBondContact O-CG2 3.39Å; L66-V68 PolarHBondContact O-N 3.47Å; V68-K70 PolarHBondContact O-N 3.1Å; V68-Y127 PolarHBondContact O-OH 3.28Å; V68-I133 HydrophobicContact CG2-CD1 4.24Å; V68-L167 HydrophobicContact CG1-CD2 3.37Å; V68-D171 HydrophobicContact CG1-CB 4.06Å
69S82.8Confident87.4Confident4 Ų420 Ų203%0.02810%0.103CC..  trans-66.1130.1-172.8-177.30000113.1A65 L66 C71 I74 T175A65-S69 WeakPolarHBondContact O-CB 3.34Å; A65-S69 PolarHBondContact O-N 3.34Å; L66-S69 PolarHBondContact O-N 3.29Å; S69-C71 PolarHBondContact OG-N 2.9Å; S69-I74 WeakPolarHBondContact OG-CB 3.36Å; S69-I74 VanDerWaalsContact OG-CD1 3.28Å; S69-I74 WeakPolarHBondContact OG-CD1 3.45Å; S69-I74 VanDerWaalsContact OG-CG2 3.3Å; S69-I74 WeakPolarHBondContact OG-CG2 3.4Å; S69-T175 WeakPolarHBondContact O-CG2 3.29Å
70K79.8Confident87.9Confident80 Ų8020.3 Ų20.335%0.34811%0.105SC..  trans-118.113.1176.1-56.7-177.5-171.7-169.20112.4V68 Y127 N174 T175 S177V68-K70 PolarHBondContact O-N 3.1Å; K70-Y127 HydrophobicContact CB-CE2 4.23Å; K70-Y127 VanDerWaalsContact N-CZ 3.34Å; K70-Y127 PolarHBondContact N-OH 2.91Å; K70-N174 WeakPolarHBondContact CD-O 3.33Å; K70-N174 WeakPolarHBondContact CE-O 3.38Å; K70-N174 PolarHBondContact NZ-O 3.38Å; K70-T175 WeakPolarHBondContact CE-OG1 3.28Å; K70-T175 HydrophobicContact CG-CG2 3.62Å; K70-S177 WeakPolarHBondContact CA-OG 3.45Å; K70-S177 WeakPolarHBondContact O-CB 3.39Å; K70-S177 PolarHBondContact O-OG 2.81Å
71C88.6Confident88.3Confident5 Ų518.9 Ų18.93%0.03410%0.096CC..  trans-83.6132.2177.1-169.40000110.8S69 Y73 I74 Y127 S177S69-C71 PolarHBondContact OG-N 2.9Å; C71-Y73 PolarHBondContact O-N 2.84Å; C71-I74 HydrophobicContact CB-CB 4.12Å; C71-I74 HydrophobicContact CB-CD1 3.58Å; C71-I74 HydrophobicContact CB-CG1 3.77Å; C71-I74 PolarHBondContact O-N 2.94Å; C71-Y127 HydrophobicContact CB-CD1 3.66Å; C71-Y127 HydrophobicContact CB-CD2 4.14Å; C71-Y127 HydrophobicContact CB-CE1 4.11Å; C71-Y127 HydrophobicContact CB-CG 3.69Å; C71-S177 PolarHBondContact N-OG 2.79Å; C71-S177 PolarHBondContact O-OG 2.84Å
72P91.1Very high89Confident59 Ų5920.1 Ų20.138%0.38310%0.099SC..THydrogen-bonded Turntrans-62.4-24.6174.125.4-33.6000113.1I74 K152P72-I74 VanDerWaalsContact C-N 3.31Å; P72-I74 PolarHBondContact O-N 3.24Å; P72-K152 WeakPolarHBondContact O-CD 3.42Å; P72-K152 WeakPolarHBondContact O-CE 3.32Å
73Y94.8Very high89.4Confident22 Ų2222.2 Ų22.29%0.08611%0.112CC..THydrogen-bonded Turntrans-92.821.7179-49.9-65.2000113.1C71 E120 I123 L151 K152 L153 L709C71-Y73 PolarHBondContact O-N 2.84Å; Y73-E120 HydrophobicContact CD1-CB 3.86Å; Y73-E120 HydrophobicContact CD1-CG 3.93Å; Y73-E120 HydrophobicContact CE1-CB 4.08Å; Y73-E120 HydrophobicContact CE1-CG 3.64Å; Y73-E120 HydrophobicContact CG-CB 4.24Å; Y73-I123 HydrophobicContact CD2-CB 3.88Å; Y73-I123 HydrophobicContact CD2-CD1 4.35Å; Y73-I123 HydrophobicContact CD2-CG2 3.67Å; Y73-I123 HydrophobicContact CE2-CB 4.09Å; Y73-I123 HydrophobicContact CE2-CD1 3.71Å; Y73-I123 HydrophobicContact CE2-CG2 3.84Å; Y73-L151 WeakPolarHBondContact CD1-O 3.49Å; Y73-K152 CarbonylContact O-C 3.59Å; Y73-K152 WeakPolarHBondContact O-CA 3.41Å; Y73-L153 PolarHBondContact O-N 2.89Å; Y73-L709 WeakPolarHBondContact OH-CD1 3.5Å
74I93.9Very high89.5Confident4 Ų427.9 Ų27.92%0.02115%0.148CC..BIsolated β-bridgetrans-127.9136.7172.1-65.8173.4000108.1L66 S69 C71 P72 H76 A124 Y127 L128 L153 F156L66-I74 HydrophobicContact CD2-CG2 4.18Å; S69-I74 WeakPolarHBondContact OG-CB 3.36Å; S69-I74 VanDerWaalsContact OG-CD1 3.28Å; S69-I74 WeakPolarHBondContact OG-CD1 3.45Å; S69-I74 VanDerWaalsContact OG-CG2 3.3Å; S69-I74 WeakPolarHBondContact OG-CG2 3.4Å; C71-I74 HydrophobicContact CB-CB 4.12Å; C71-I74 HydrophobicContact CB-CD1 3.58Å; C71-I74 HydrophobicContact CB-CG1 3.77Å; C71-I74 PolarHBondContact O-N 2.94Å; P72-I74 VanDerWaalsContact C-N 3.31Å; P72-I74 PolarHBondContact O-N 3.24Å; I74-H76 PolarHBondContact O-N 3.48Å; I74-A124 HydrophobicContact CG1-CB 4.29Å; I74-Y127 HydrophobicContact CD1-CD1 3.66Å; I74-Y127 HydrophobicContact CD1-CE1 4.13Å; I74-L128 HydrophobicContact CD1-CD1 4.24Å; I74-L128 HydrophobicContact CD1-CD2 3.65Å; I74-L128 HydrophobicContact CD1-CG 3.74Å; I74-L153 HydrophobicContact CG1-CB 4.45Å; I74-F156 HydrophobicContact CD1-CZ 4.43Å; I74-F156 HydrophobicContact CG1-CZ 4.33Å; I74-F156 HydrophobicContact CG2-CE2 3.75Å; I74-F156 HydrophobicContact CG2-CZ 3.67Å
75V93.4Very high89.8Confident3 Ų329.5 Ų29.52%0.01816%0.161CC..  trans-55.1131.2178.1170.10000111.2L66 M91 E92 L94 L144 K152 L153L66-V75 HydrophobicContact CD2-CB 4.41Å; L66-V75 VanDerWaalsContact CD2-O 3.29Å; L66-V75 WeakPolarHBondContact CD2-O 3.22Å; V75-M91 HydrophobicContact CG1-CB 3.9Å; V75-M91 HydrophobicContact CG1-CG 4.26Å; V75-M91 HydrophobicContact CG1-SD 4.24Å; V75-E92 HydrophobicContact CG1-CG 4.1Å; V75-L94 HydrophobicContact CG2-CD1 3.64Å; V75-L144 HydrophobicContact CG2-CD1 4.28Å; V75-K152 HydrophobicContact CG2-CB 4.1Å; V75-L153 WeakPolarHBondContact CG2-O 3.23Å; V75-L153 PolarHBondContact N-O 3.09Å
76H91.2Very high90.2Very high24 Ų2432.2 Ų32.211%0.11117%0.174CC..  trans-82.9122.3178.1-16876.3000111.8I74 Y78 M91 E92 R187I74-H76 PolarHBondContact O-N 3.48Å; H76-Y78 AromaticContact CD2-CD1 3.54Å; H76-Y78 AromaticContact CD2-CE1 3.38Å; H76-Y78 WeakPolarHBondContact CD2-CE1 3.44Å; H76-Y78 AromaticContact CD2-CE2 3.89Å; H76-Y78 AromaticContact CD2-CG 3.88Å; H76-Y78 AromaticContact CD2-CZ 3.56Å; H76-Y78 AromaticContact NE2-CD1 3.71Å; H76-Y78 AromaticContact NE2-CE1 3.71Å; H76-M91 CarbonylContact O-C 3.55Å; H76-M91 VanDerWaalsContact O-CA 3.28Å; H76-M91 WeakPolarHBondContact O-CA 3.27Å; H76-E92 HydrophobicContact CB-CB 4.42Å; H76-E92 HydrophobicContact CB-CG 4.1Å; H76-E92 VanDerWaalsContact CB-OE1 3.28Å; H76-E92 WeakPolarHBondContact CB-OE1 3.11Å; H76-E92 PolarHBondContact N-OE1 2.85Å; H76-E92 PolarHBondContact O-N 2.95Å; H76-R187 PolarHBondContact CE1-NH2 3.06Å; H76-R187 PolarHBondContact NE2-NH1 3.33Å; H76-R187 VanDerWaalsContact NE2-NH1 3.12Å; H76-R187 PolarHBondContact NE2-NH2 2.71Å
77L92.2Very high90.5Very high0 Ų032.2 Ų32.20%017%0.173CC..EExtended strand (participates in β ladder)trans-90.6115.717117868.1000110.1R63 L66 A67 Y79 L89 M91 R187 L195R63-L77 HydrophobicContact CG-CD2 4.29Å; L66-L77 HydrophobicContact CB-CB 3.72Å; L66-L77 HydrophobicContact CB-CD2 3.96Å; L66-L77 HydrophobicContact CB-CG 4.45Å; L66-L77 HydrophobicContact CD1-CB 4.5Å; A67-L77 HydrophobicContact CB-CD2 4.45Å; L77-Y79 VanDerWaalsContact CD1-O 3.31Å; L77-Y79 WeakPolarHBondContact CD1-O 3.38Å; L77-L89 HydrophobicContact CD1-CB 3.74Å; L77-L89 HydrophobicContact CD1-CD2 4.12Å; L77-L89 HydrophobicContact CD1-CG 4.45Å; L77-L89 HydrophobicContact CD2-CD2 4.34Å; L77-M91 HydrophobicContact CD1-CG 3.76Å; L77-R187 PolarHBondContact O-NH1 3.4Å; L77-R187 PolarHBondContact O-NH2 2.94Å; L77-L195 HydrophobicContact CD2-CD2 3.59Å; L77-L195 HydrophobicContact CG-CD2 3.79Å
78Y90.6Very high90.8Very high63 Ų6333.5 Ų33.525%0.24718%0.179CC..EExtended strand (participates in β ladder)trans-81-46.8177.2-69.4-76.9000113.1Y40 H76 V90 E92 R187 Q191Y40-Y78 AromaticContact CD1-CD2 3.58Å; Y40-Y78 HydrophobicContact CD1-CD2 3.58Å; Y40-Y78 AromaticContact CD1-CE2 3.91Å; Y40-Y78 HydrophobicContact CD1-CE2 3.91Å; Y40-Y78 HydrophobicContact CD1-CG 4.32Å; Y40-Y78 HydrophobicContact CE1-CD1 4.46Å; Y40-Y78 AromaticContact CE1-CD2 3.46Å; Y40-Y78 HydrophobicContact CE1-CD2 3.46Å; Y40-Y78 VanDerWaalsContact CE1-CD2 3.46Å; Y40-Y78 AromaticContact CE1-CE2 3.7Å; Y40-Y78 HydrophobicContact CE1-CE2 3.7Å; Y40-Y78 AromaticContact CE1-CG 3.86Å; Y40-Y78 HydrophobicContact CE1-CG 3.86Å; H76-Y78 AromaticContact CD2-CD1 3.54Å; H76-Y78 AromaticContact CD2-CE1 3.38Å; H76-Y78 WeakPolarHBondContact CD2-CE1 3.44Å; H76-Y78 AromaticContact CD2-CE2 3.89Å; H76-Y78 AromaticContact CD2-CG 3.88Å; H76-Y78 AromaticContact CD2-CZ 3.56Å; H76-Y78 AromaticContact NE2-CD1 3.71Å; H76-Y78 AromaticContact NE2-CE1 3.71Å; Y78-V90 WeakPolarHBondContact CA-O 3.29Å; Y78-V90 WeakPolarHBondContact CB-O 3.44Å; Y78-V90 PolarHBondContact N-O 3.1Å; Y78-E92 HydrophobicContact CE2-CB 3.79Å; Y78-R187 PolarHBondContact O-NH1 3.03Å; Y78-Q191 WeakPolarHBondContact O-CG 3.4Å
79Y92.6Very high91.3Very high16 Ų1632.1 Ų32.16%0.06317%0.17CC..EExtended strand (participates in β ladder)trans-140.6146.7-176.5-55.1-94.4000111.5P8 F13 L77 L81 V90 Q191 S194P8-Y79 HydrophobicContact CB-CD1 4.25Å; P8-Y79 HydrophobicContact CB-CE1 4.22Å; P8-Y79 HydrophobicContact CG-CD1 4.26Å; P8-Y79 HydrophobicContact CG-CE1 4.39Å; F13-Y79 HydrophobicContact CE1-CD2 4.43Å; F13-Y79 HydrophobicContact CE1-CE2 4.41Å; F13-Y79 AromaticContact CZ-CD2 3.68Å; F13-Y79 HydrophobicContact CZ-CD2 3.68Å; F13-Y79 AromaticContact CZ-CE2 3.76Å; F13-Y79 HydrophobicContact CZ-CE2 3.76Å; F13-Y79 HydrophobicContact CZ-CG 4.32Å; L77-Y79 VanDerWaalsContact CD1-O 3.31Å; L77-Y79 WeakPolarHBondContact CD1-O 3.38Å; Y79-L81 HydrophobicContact CD1-CD2 4.47Å; Y79-V90 HydrophobicContact CD2-CB 4.06Å; Y79-V90 HydrophobicContact CD2-CG1 4.02Å; Y79-V90 PolarHBondContact N-O 3.29Å; Y79-V90 PolarHBondContact O-N 2.95Å; Y79-Q191 HydrophobicContact CD1-CB 4.41Å; Y79-Q191 HydrophobicContact CD1-CG 3.67Å; Y79-Q191 HydrophobicContact CE1-CB 4.21Å; Y79-Q191 HydrophobicContact CE1-CG 3.18Å; Y79-Q191 HydrophobicContact CE2-CG 4.11Å; Y79-Q191 HydrophobicContact CG-CG 4.32Å; Y79-Q191 VanDerWaalsContact CZ-CG 3.42Å; Y79-S194 WeakPolarHBondContact CA-OG 3.28Å
80C93.1Very high91.8Very high7 Ų731.9 Ų31.95%0.04717%0.169CC..EExtended strand (participates in β ladder)trans-116.1108.4163.1-177.50000108.1R63 Y88 L89 S194 L195R63-C80 WeakPolarHBondContact CD-SG 3.39Å; R63-C80 HydrophobicContact CG-CB 4.03Å; C80-Y88 WeakPolarHBondContact CA-O 3.35Å; C80-L89 HydrophobicContact CB-CD2 4.18Å; C80-S194 PolarHBondContact N-OG 3.32Å; C80-S194 CarbonylContact O-C 3.56Å; C80-S194 WeakPolarHBondContact O-CB 3.43Å; C80-L195 HydrophobicContact CB-CD2 4.07Å
81L94Very high92.5Very high7 Ų728.7 Ų28.74%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-111.2156.6-176.1-46.1170000109.3P8 I10 F13 Y79 Y88 V90P8-L81 HydrophobicContact CB-CD2 4.15Å; P8-L81 HydrophobicContact CG-CD2 4.32Å; I10-L81 HydrophobicContact CD1-CD1 4.3Å; F13-L81 HydrophobicContact CD2-CD1 4.01Å; F13-L81 HydrophobicContact CE2-CD1 3.65Å; Y79-L81 HydrophobicContact CD1-CD2 4.47Å; L81-Y88 HydrophobicContact CB-CD2 4.45Å; L81-Y88 PolarHBondContact N-O 2.89Å; L81-Y88 PolarHBondContact O-N 3.24Å; L81-V90 HydrophobicContact CD1-CG2 3.94Å; L81-V90 HydrophobicContact CG-CG2 4.48Å
82Q93.2Very high92.7Very high58 Ų5829.9 Ų29.927%0.27116%0.16SC..EExtended strand (participates in β ladder)trans-146.2151.4176.161.8-179.8-4500111.9H86 I87 E198Q82-H86 CarbonylContact C-O 3.05Å; Q82-H86 WeakPolarHBondContact CA-O 3.4Å; Q82-I87 HydrophobicContact CB-CG1 4.41Å; Q82-E198 PolarHBondContact NE2-O 2.63Å
83T92.8Very high92.8Very high45 Ų4528.7 Ų28.728%0.27615%0.148SC..  trans-117.9-175.5169.156.30000108.5I10 K47 S85 H86 Y88I10-T83 HydrophobicContact CG2-CG2 4.14Å; K47-T83 VanDerWaalsContact CE-O 3.31Å; K47-T83 WeakPolarHBondContact CE-O 3.09Å; K47-T83 PolarHBondContact NZ-O 3.29Å; T83-S85 PolarHBondContact O-N 2.88Å; T83-S85 PolarHBondContact OG1-N 3.05Å; T83-H86 PolarHBondContact N-O 2.87Å; T83-H86 PolarHBondContact OG1-N 2.85Å; T83-H86 PolarHBondContact OG1-O 3.27Å; T83-Y88 HydrophobicContact CG2-CE2 3.79Å
84T90.9Very high92.8Very high131 Ų13127.9 Ų27.980%0.80415%0.145SC*.SBendtrans-61.9-32.3171.649.30000112.2
85S91.5Very high92.8Very high60 Ų6028.2 Ų28.242%0.4215%0.148SC..SBendtrans-107.1-25-173.853.60000115.1K47 T83K47-S85 WeakPolarHBondContact CB-O 3.45Å; K47-S85 PolarHBondContact N-O 3.3Å; T83-S85 PolarHBondContact O-N 2.88Å; T83-S85 PolarHBondContact OG1-N 3.05Å
86H92.5Very high92.8Very high58 Ų5828.3 Ų28.327%0.26915%0.149SC..EExtended strand (participates in β ladder)trans-134.9155.2-170.8-66.282.3000114I44 M45 Q82 T83 Y88I44-H86 HydrophobicContact CG2-CB 4.4Å; M45-H86 CarbonylContact O-C 3.56Å; M45-H86 VanDerWaalsContact O-CA 3.28Å; M45-H86 WeakPolarHBondContact O-CA 3.35Å; Q82-H86 CarbonylContact C-O 3.05Å; Q82-H86 WeakPolarHBondContact CA-O 3.4Å; T83-H86 PolarHBondContact N-O 2.87Å; T83-H86 PolarHBondContact OG1-N 2.85Å; T83-H86 PolarHBondContact OG1-O 3.27Å; H86-Y88 HydrophobicContact CB-CD2 4.44Å; H86-Y88 HydrophobicContact CB-CE2 3.62Å
87I92.2Very high92.9Very high0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-111.4142.3165.5-60.7177.7000108.4M45 K47 M50 V59 Q82 L199 F201M45-I87 HydrophobicContact CE-CB 4.26Å; M45-I87 HydrophobicContact CE-CG2 3.89Å; M45-I87 PolarHBondContact N-O 3.47Å; M45-I87 PolarHBondContact O-N 2.87Å; K47-I87 HydrophobicContact CG-CD1 4.43Å; K47-I87 HydrophobicContact CG-CG1 4.08Å; M50-I87 HydrophobicContact CE-CB 4.04Å; M50-I87 HydrophobicContact CE-CD1 3.52Å; M50-I87 HydrophobicContact CE-CG1 3.75Å; M50-I87 HydrophobicContact SD-CD1 4.12Å; V59-I87 HydrophobicContact CG1-CD1 4.39Å; Q82-I87 HydrophobicContact CB-CG1 4.41Å; I87-L199 HydrophobicContact CD1-CB 4.17Å; I87-L199 HydrophobicContact CD1-CD1 3.88Å; I87-L199 HydrophobicContact CD1-CD2 3.74Å; I87-L199 HydrophobicContact CD1-CG 4.11Å; I87-L199 HydrophobicContact CG1-CD2 4.22Å; I87-L199 HydrophobicContact CG2-CD2 4.04Å; I87-F201 HydrophobicContact CD1-CE1 3.77Å; I87-F201 HydrophobicContact CD1-CE2 4.23Å; I87-F201 HydrophobicContact CD1-CZ 3.42Å; I87-F201 VanDerWaalsContact CD1-CZ 3.42Å
88Y93.6Very high92.9Very high28 Ų2827.2 Ų27.211%0.1114%0.144CC..EExtended strand (participates in β ladder)trans-126.9124.2-179-53.9-99.2000109.9I10 M15 I42 K43 I44 C80 L81 T83 H86I10-Y88 HydrophobicContact CB-CD2 4.35Å; I10-Y88 HydrophobicContact CB-CE1 4.47Å; I10-Y88 HydrophobicContact CB-CE2 4.26Å; I10-Y88 HydrophobicContact CD1-CD1 3.38Å; I10-Y88 HydrophobicContact CD1-CD2 4.36Å; I10-Y88 HydrophobicContact CD1-CE1 3.84Å; I10-Y88 HydrophobicContact CD1-CG 3.7Å; I10-Y88 HydrophobicContact CG1-CD1 3.71Å; I10-Y88 HydrophobicContact CG1-CD2 4.34Å; I10-Y88 HydrophobicContact CG1-CE1 3.61Å; I10-Y88 HydrophobicContact CG1-CE2 4.26Å; I10-Y88 HydrophobicContact CG1-CG 4.09Å; I10-Y88 HydrophobicContact CG2-CE2 4.38Å; M15-Y88 HydrophobicContact CE-CD1 4.29Å; M15-Y88 HydrophobicContact CE-CE1 4.32Å; I42-Y88 HydrophobicContact CG2-CD1 4.22Å; K43-Y88 WeakPolarHBondContact O-CA 3.45Å; I44-Y88 HydrophobicContact CB-CD1 4.35Å; I44-Y88 HydrophobicContact CB-CE1 4.37Å; I44-Y88 HydrophobicContact CD1-CD1 4.39Å; I44-Y88 HydrophobicContact CD1-CE1 4.14Å; I44-Y88 HydrophobicContact CG1-CD1 3.86Å; I44-Y88 HydrophobicContact CG1-CE1 4.01Å; I44-Y88 HydrophobicContact CG2-CD1 4.05Å; I44-Y88 HydrophobicContact CG2-CE1 3.67Å; C80-Y88 WeakPolarHBondContact CA-O 3.35Å; L81-Y88 HydrophobicContact CB-CD2 4.45Å; L81-Y88 PolarHBondContact N-O 2.89Å; L81-Y88 PolarHBondContact O-N 3.24Å; T83-Y88 HydrophobicContact CG2-CE2 3.79Å; H86-Y88 HydrophobicContact CB-CD2 4.44Å; H86-Y88 HydrophobicContact CB-CE2 3.62Å
89L92.6Very high93.2Very high0 Ų024.2 Ų24.20%013%0.132CC..EExtended strand (participates in β ladder)trans-103.6112.7169.2-58-179.4000108.2I42 K43 M45 E62 R63 L77 C80 M91I42-L89 WeakPolarHBondContact CA-O 3.22Å; K43-L89 HydrophobicContact CB-CB 4.3Å; K43-L89 PolarHBondContact N-O 3.07Å; K43-L89 PolarHBondContact O-N 3.25Å; M45-L89 HydrophobicContact CE-CD1 3.75Å; M45-L89 HydrophobicContact CE-CD2 4.48Å; M45-L89 HydrophobicContact CE-CG 3.67Å; E62-L89 HydrophobicContact CG-CD1 4.29Å; R63-L89 HydrophobicContact CB-CD2 4.29Å; R63-L89 HydrophobicContact CG-CD2 4.32Å; L77-L89 HydrophobicContact CD1-CB 3.74Å; L77-L89 HydrophobicContact CD1-CD2 4.12Å; L77-L89 HydrophobicContact CD1-CG 4.45Å; L77-L89 HydrophobicContact CD2-CD2 4.34Å; C80-L89 HydrophobicContact CB-CD2 4.18Å; L89-M91 HydrophobicContact CB-CG 4.42Å; L89-M91 HydrophobicContact CB-SD 4.42Å
90V94.2Very high93.2Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-96107.9178.7-176.70000108.3F13 Y40 I42 Y78 Y79 L81F13-V90 HydrophobicContact CD1-CG1 4.28Å; F13-V90 HydrophobicContact CE1-CG1 3.65Å; F13-V90 HydrophobicContact CE1-CG2 4.4Å; F13-V90 HydrophobicContact CE2-CG2 4.35Å; F13-V90 HydrophobicContact CZ-CG1 4.02Å; F13-V90 HydrophobicContact CZ-CG2 4.19Å; Y40-V90 HydrophobicContact CD1-CG1 3.78Å; Y40-V90 HydrophobicContact CD2-CG1 4.28Å; Y40-V90 HydrophobicContact CG-CG1 3.65Å; I42-V90 HydrophobicContact CG1-CG1 4.32Å; I42-V90 HydrophobicContact CG1-CG2 4.35Å; I42-V90 HydrophobicContact CG2-CG2 4.29Å; Y78-V90 WeakPolarHBondContact CA-O 3.29Å; Y78-V90 WeakPolarHBondContact CB-O 3.44Å; Y78-V90 PolarHBondContact N-O 3.1Å; Y79-V90 HydrophobicContact CD2-CB 4.06Å; Y79-V90 HydrophobicContact CD2-CG1 4.02Å; Y79-V90 PolarHBondContact N-O 3.29Å; Y79-V90 PolarHBondContact O-N 2.95Å; L81-V90 HydrophobicContact CD1-CG2 3.94Å; L81-V90 HydrophobicContact CG-CG2 4.48Å
91M93.4Very high93.2Very high12 Ų1224.9 Ų24.96%0.05914%0.135CC..EExtended strand (participates in β ladder)trans-116.5164.3-171.3-59.4168.4-66.500111.1Y40 A41 K43 L66 V75 H76 L77 L89Y40-M91 WeakPolarHBondContact CA-O 3.39Å; Y40-M91 WeakPolarHBondContact CB-O 3.23Å; A41-M91 PolarHBondContact N-O 3.38Å; A41-M91 PolarHBondContact O-N 2.76Å; K43-M91 HydrophobicContact CB-CE 3.66Å; L66-M91 HydrophobicContact CD1-SD 4.38Å; V75-M91 HydrophobicContact CG1-CB 3.9Å; V75-M91 HydrophobicContact CG1-CG 4.26Å; V75-M91 HydrophobicContact CG1-SD 4.24Å; H76-M91 CarbonylContact O-C 3.55Å; H76-M91 VanDerWaalsContact O-CA 3.28Å; H76-M91 WeakPolarHBondContact O-CA 3.27Å; L77-M91 HydrophobicContact CD1-CG 3.76Å; L89-M91 HydrophobicContact CB-CG 4.42Å; L89-M91 HydrophobicContact CB-SD 4.42Å
92E92.8Very high93.2Very high30 Ų3025.2 Ų25.214%0.1414%0.137CC..EExtended strand (participates in β ladder)trans-57.8141.7167.365.7178.8131.800111.3V75 H76 Y78 L94 K152V75-E92 HydrophobicContact CG1-CG 4.1Å; H76-E92 HydrophobicContact CB-CB 4.42Å; H76-E92 HydrophobicContact CB-CG 4.1Å; H76-E92 VanDerWaalsContact CB-OE1 3.28Å; H76-E92 WeakPolarHBondContact CB-OE1 3.11Å; H76-E92 PolarHBondContact N-OE1 2.85Å; H76-E92 PolarHBondContact O-N 2.95Å; Y78-E92 HydrophobicContact CE2-CB 3.79Å; E92-L94 HydrophobicContact CG-CD2 4.43Å; E92-L94 HydrophobicContact CG-CG 4.32Å; E92-K152 WeakPolarHBondContact OE1-CD 3.48Å; E92-K152 IonicContact OE1-NZ 3.43Å; E92-K152 PolarHBondContact OE1-NZ 3.48Å; E92-K152 IonicContact OE2-NZ 3.76Å; E92-K152 PolarHBondContact OE2-NZ 3.02Å
93Y93.9Very high93.1Very high34 Ų3422.7 Ų22.713%0.13313%0.125CC..  trans-89.4122.4174.3176.3-121.5000109.9I19 L29 I39 A41 V95 D725 T726 F729I19-Y93 HydrophobicContact CD1-CD2 4.37Å; I19-Y93 HydrophobicContact CD1-CE2 4.24Å; L29-Y93 HydrophobicContact CD1-CD1 3.77Å; L29-Y93 HydrophobicContact CD1-CD2 3.57Å; L29-Y93 HydrophobicContact CD1-CE1 3.88Å; L29-Y93 HydrophobicContact CD1-CE2 3.71Å; L29-Y93 HydrophobicContact CD1-CG 3.61Å; I39-Y93 HydrophobicContact CG2-CD1 3.91Å; I39-Y93 HydrophobicContact CG2-CG 4.14Å; A41-Y93 HydrophobicContact CB-CD2 4.45Å; Y93-V95 HydrophobicContact CE1-CB 3.93Å; Y93-V95 HydrophobicContact CE1-CG2 3.98Å; Y93-D725 PolarHBondContact OH-O 3.15Å; Y93-T726 HydrophobicContact CE2-CG2 4.46Å; Y93-T726 WeakPolarHBondContact OH-CG2 3.44Å; Y93-F729 HydrophobicContact CE2-CD2 4.42Å; Y93-F729 AromaticContact CE2-CE2 3.59Å; Y93-F729 HydrophobicContact CE2-CE2 3.59Å; Y93-F729 HydrophobicContact CE2-CZ 4.16Å
94L94.5Very high93Very high5 Ų522.3 Ų22.33%0.02612%0.121CC..  trans-107.6101.7-179.9-67172.4000109.7V75 E92 G96 L144 I145 D146 K152 F729V75-L94 HydrophobicContact CG2-CD1 3.64Å; E92-L94 HydrophobicContact CG-CD2 4.43Å; E92-L94 HydrophobicContact CG-CG 4.32Å; L94-G96 PolarHBondContact O-N 3.45Å; L94-L144 HydrophobicContact CB-CB 4.02Å; L94-L144 HydrophobicContact CB-CD1 4.39Å; L94-L144 HydrophobicContact CD1-CB 3.38Å; L94-L144 HydrophobicContact CD1-CD1 3.87Å; L94-L144 HydrophobicContact CD1-CG 4.26Å; L94-L144 HydrophobicContact CG-CB 4.35Å; L94-I145 CarbonylContact C-O 3.58Å; L94-D146 HydrophobicContact CD2-CB 3.44Å; L94-D146 VanDerWaalsContact CD2-CB 3.44Å; L94-K152 HydrophobicContact CD1-CB 3.8Å; L94-K152 HydrophobicContact CD1-CD 4.05Å; L94-K152 HydrophobicContact CD1-CG 4.19Å; L94-K152 HydrophobicContact CD2-CD 3.91Å; L94-K152 HydrophobicContact CD2-CG 4.43Å; L94-F729 WeakPolarHBondContact O-CE2 3.47Å; L94-F729 WeakPolarHBondContact O-CZ 3.48Å
95V93.1Very high92.8Very high12 Ų1218.2 Ų18.27%0.07310%0.096CC..THydrogen-bonded Turntrans-68.1-20.6-166.670.30000114.2Y93 G97 P718 P720 Y728Y93-V95 HydrophobicContact CE1-CB 3.93Å; Y93-V95 HydrophobicContact CE1-CG2 3.98Å; V95-G97 PolarHBondContact O-N 3.45Å; V95-P718 HydrophobicContact CG1-CB 4.25Å; V95-P718 HydrophobicContact CG1-CG 3.82Å; V95-P720 HydrophobicContact CG1-CG 4.26Å; V95-P720 HydrophobicContact CG2-CB 3.59Å; V95-P720 HydrophobicContact CG2-CG 3.72Å; V95-Y728 VanDerWaalsContact O-CD2 3.29Å; V95-Y728 WeakPolarHBondContact O-CD2 3.2Å
96G93.5Very high92.6Very high4 Ų417.9 Ų17.94%0.0419%0.088CC..THydrogen-bonded Turntrans-78.51.2-175.800000115.3L94 I145 Y728L94-G96 PolarHBondContact O-N 3.45Å; G96-I145 VanDerWaalsContact CA-O 3.3Å; G96-I145 WeakPolarHBondContact CA-O 3.36Å; G96-I145 PolarHBondContact N-O 2.98Å; G96-Y728 WeakPolarHBondContact O-CB 3.2Å
97G93.3Very high92.4Very high0 Ų015.6 Ų15.60%08%0.08CC..  trans71.2-152-178.300000112.2V95 L144 I145V95-G97 PolarHBondContact O-N 3.45Å; G97-L144 CarbonylContact O-C 3.57Å; G97-L144 VanDerWaalsContact O-CA 3.24Å; G97-L144 WeakPolarHBondContact O-CA 3.32Å; G97-L144 WeakPolarHBondContact O-CD2 3.33Å; G97-I145 PolarHBondContact O-N 3.04Å
98D93.7Very high92.3Very high1 Ų118 Ų181%0.00510%0.096CC..BIsolated β-bridgetrans-105.9154179.757.865.7000114.1K100 S101 L102 I143 L144 R732D98-K100 PolarHBondContact O-N 3.42Å; D98-K100 WeakPolarHBondContact OD1-CB 3.31Å; D98-K100 PolarHBondContact OD1-N 3.17Å; D98-S101 WeakPolarHBondContact O-CB 3.49Å; D98-S101 PolarHBondContact O-N 3.21Å; D98-S101 VanDerWaalsContact OD1-CB 3.29Å; D98-S101 WeakPolarHBondContact OD1-CB 3.28Å; D98-S101 PolarHBondContact OD1-N 2.86Å; D98-S101 PolarHBondContact OD1-OG 2.77Å; D98-L102 PolarHBondContact O-N 3.14Å; D98-L102 VanDerWaalsContact O-N 3.15Å; D98-I143 CarbonylContact C-O 3.55Å; D98-I143 VanDerWaalsContact CA-O 3.28Å; D98-I143 WeakPolarHBondContact CA-O 2.96Å; D98-L144 HydrophobicContact CB-CD2 3.91Å; D98-R732 WeakPolarHBondContact OD2-CD 3.49Å; D98-R732 IonicContact OD2-CZ 3.09Å; D98-R732 IonicContact OD2-NE 2.82Å; D98-R732 IonicContact OD2-NH1 2.78Å; D98-R732 PolarHBondContact OD2-NH1 3.12Å; D98-R732 VanDerWaalsContact OD2-NH1 3.12Å
99L95.9Very high92.2Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-61.9-30.1179.4-178.361.7000111.8L102 L103 Y117 P140 I143 L151 I616 M620L99-L102 HydrophobicContact CD1-CB 4.47Å; L99-L102 HydrophobicContact CD1-CD2 4.05Å; L99-L102 PolarHBondContact O-N 3.49Å; L99-L103 HydrophobicContact CD1-CG 4.41Å; L99-L103 HydrophobicContact CG-CD1 4.32Å; L99-L103 HydrophobicContact CG-CG 4.42Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 3.24Å; L99-Y117 HydrophobicContact CD1-CD2 4.26Å; L99-Y117 HydrophobicContact CD1-CE2 4.24Å; L99-P140 HydrophobicContact CB-CB 4.09Å; L99-P140 HydrophobicContact CD2-CB 4.35Å; L99-P140 HydrophobicContact CG-CB 4.13Å; L99-P140 PolarHBondContact N-O 2.91Å; L99-I143 HydrophobicContact CB-CB 4.05Å; L99-I143 HydrophobicContact CB-CG2 4.22Å; L99-I143 HydrophobicContact CD2-CB 4.39Å; L99-I143 HydrophobicContact CD2-CD1 4.08Å; L99-I143 HydrophobicContact CD2-CG2 4.24Å; L99-I143 PolarHBondContact N-O 3.27Å; L99-L151 HydrophobicContact CD1-CD2 4.48Å; L99-L151 HydrophobicContact CD2-CD1 4.3Å; L99-I616 HydrophobicContact CD2-CG2 4.46Å; L99-M620 HydrophobicContact CD2-SD 4.38Å
100K93.7Very high92.3Very high34 Ų3420.7 Ų20.715%0.14811%0.11CC..Hα-helixtrans-61.1-47.1175.4-169.567.5171.9-170.60111.1D98 L102 L103 L104 P140 Y588 E619D98-K100 PolarHBondContact O-N 3.42Å; D98-K100 WeakPolarHBondContact OD1-CB 3.31Å; D98-K100 PolarHBondContact OD1-N 3.17Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L102 PolarHBondContact O-N 3.28Å; K100-L103 PolarHBondContact O-N 3.45Å; K100-L104 HydrophobicContact CG-CD1 4.47Å; K100-L104 WeakPolarHBondContact O-CG 3.25Å; K100-L104 PolarHBondContact O-N 3.13Å; K100-P140 HydrophobicContact CB-CB 3.88Å; K100-P140 HydrophobicContact CD-CB 4.08Å; K100-P140 HydrophobicContact CD-CG 4.44Å; K100-P140 PolarHBondContact N-O 3.5Å; K100-Y588 PolarHBondContact NZ-OH 3.02Å; K100-E619 IonicContact NZ-OE1 3.63Å; K100-E619 PolarHBondContact NZ-OE1 3.48Å; K100-E619 IonicContact NZ-OE2 3.85Å
101S92.3Very high92.3Very high3 Ų323.5 Ų23.52%0.02112%0.123CC..Hα-helixtrans-62-40.2176.8-61.10000111.3D98 L104 V105D98-S101 WeakPolarHBondContact O-CB 3.49Å; D98-S101 PolarHBondContact O-N 3.21Å; D98-S101 VanDerWaalsContact OD1-CB 3.29Å; D98-S101 WeakPolarHBondContact OD1-CB 3.28Å; D98-S101 PolarHBondContact OD1-N 2.86Å; D98-S101 PolarHBondContact OD1-OG 2.77Å; S101-L104 PolarHBondContact O-N 2.92Å; S101-V105 WeakPolarHBondContact O-CG2 3.23Å; S101-V105 PolarHBondContact O-N 2.82Å; S101-V105 VanDerWaalsContact O-N 3.14Å
102L93.5Very high92.4Very high14 Ų1426.5 Ų26.57%0.07315%0.146CC..Hα-helixtrans-61.3-48.1173.6-176.265.7000111.6D98 L99 K100 L104 V105 M106 Y117 I145 F716D98-L102 PolarHBondContact O-N 3.14Å; D98-L102 VanDerWaalsContact O-N 3.15Å; L99-L102 HydrophobicContact CD1-CB 4.47Å; L99-L102 HydrophobicContact CD1-CD2 4.05Å; L99-L102 PolarHBondContact O-N 3.49Å; K100-L102 VanDerWaalsContact C-N 3.31Å; K100-L102 PolarHBondContact O-N 3.28Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.22Å; L102-V105 PolarHBondContact O-N 2.71Å; L102-V105 VanDerWaalsContact O-N 3.11Å; L102-M106 HydrophobicContact CD1-CG 3.85Å; L102-M106 HydrophobicContact CD1-SD 3.67Å; L102-M106 HydrophobicContact CD2-SD 4.37Å; L102-M106 HydrophobicContact CG-CG 4.21Å; L102-M106 HydrophobicContact CG-SD 3.96Å; L102-M106 WeakPolarHBondContact O-CB 3.35Å; L102-M106 WeakPolarHBondContact O-CG 3.07Å; L102-M106 PolarHBondContact O-N 3.26Å; L102-Y117 HydrophobicContact CD2-CE2 4.16Å; L102-I145 HydrophobicContact CB-CD1 4.09Å; L102-I145 HydrophobicContact CD2-CD1 3.85Å; L102-F716 HydrophobicContact CD1-CB 4.01Å; L102-F716 HydrophobicContact CD1-CD1 4.06Å; L102-F716 HydrophobicContact CD1-CD2 3.79Å; L102-F716 HydrophobicContact CD1-CE2 4.28Å; L102-F716 HydrophobicContact CD1-CG 3.67Å; L102-F716 HydrophobicContact CD2-CB 3.91Å; L102-F716 HydrophobicContact CD2-CD1 4.2Å; L102-F716 HydrophobicContact CD2-CG 4.16Å
103L92Very high92.5Very high6 Ų627.4 Ų27.43%0.03115%0.15CC..Hα-helixtrans-64.2-33.1178.2-69.7175.7000112.6L99 K100 V105 G107 L109 P140 E619 M620L99-L103 HydrophobicContact CD1-CG 4.41Å; L99-L103 HydrophobicContact CG-CD1 4.32Å; L99-L103 HydrophobicContact CG-CG 4.42Å; L99-L103 WeakPolarHBondContact O-CG 3.31Å; L99-L103 PolarHBondContact O-N 3.24Å; K100-L103 PolarHBondContact O-N 3.45Å; L103-V105 VanDerWaalsContact C-N 3.31Å; L103-V105 PolarHBondContact O-N 3.46Å; L103-G107 VanDerWaalsContact O-CA 3.31Å; L103-G107 WeakPolarHBondContact O-CA 3.44Å; L103-G107 PolarHBondContact O-N 2.84Å; L103-L109 HydrophobicContact CD2-CD1 4.2Å; L103-L109 HydrophobicContact CD2-CD2 4.45Å; L103-L109 HydrophobicContact CD2-CG 3.92Å; L103-P140 HydrophobicContact CD1-CB 4.29Å; L103-P140 HydrophobicContact CD1-CG 4.22Å; L103-E619 HydrophobicContact CD1-CG 4.2Å; L103-M620 HydrophobicContact CD1-CG 4.26Å; L103-M620 HydrophobicContact CD2-CB 4.49Å; L103-M620 HydrophobicContact CD2-CG 4.17Å
104L89.4Confident92.6Very high36 Ų3625.8 Ų25.819%0.18814%0.144CC..Hα-helixtrans-63.5-37.8172.7-75.7169.2000112.3K100 S101 L102 Y735K100-L104 HydrophobicContact CG-CD1 4.47Å; K100-L104 WeakPolarHBondContact O-CG 3.25Å; K100-L104 PolarHBondContact O-N 3.13Å; S101-L104 PolarHBondContact O-N 2.92Å; L102-L104 VanDerWaalsContact C-N 3.3Å; L102-L104 PolarHBondContact O-N 3.22Å; L104-Y735 HydrophobicContact CD1-CD2 4.31Å; L104-Y735 HydrophobicContact CD1-CG 4.41Å
105V87.8Confident92.8Very high45 Ų4525.8 Ų25.827%0.27314%0.144SC..Hα-helixtrans-82.7-32.8179.5175.10000112.5S101 L102 L103 Y327 I731S101-V105 WeakPolarHBondContact O-CG2 3.23Å; S101-V105 PolarHBondContact O-N 2.82Å; S101-V105 VanDerWaalsContact O-N 3.14Å; L102-V105 PolarHBondContact O-N 2.71Å; L102-V105 VanDerWaalsContact O-N 3.11Å; L103-V105 VanDerWaalsContact C-N 3.31Å; L103-V105 PolarHBondContact O-N 3.46Å; V105-Y327 WeakPolarHBondContact O-CE1 3.19Å; V105-Y327 PolarHBondContact O-OH 2.78Å; V105-I731 HydrophobicContact CG2-CD1 3.78Å; V105-I731 HydrophobicContact CG2-CG2 4.4Å
106M87.3Confident92.9Very high54 Ų5425.9 Ų25.927%0.26614%0.144SC..Hα-helixtrans-94.8-16.9-176.7-70.1-160.666.500114.2L102 C108 L109 Y327L102-M106 HydrophobicContact CD1-CG 3.85Å; L102-M106 HydrophobicContact CD1-SD 3.67Å; L102-M106 HydrophobicContact CD2-SD 4.37Å; L102-M106 HydrophobicContact CG-CG 4.21Å; L102-M106 HydrophobicContact CG-SD 3.96Å; L102-M106 WeakPolarHBondContact O-CB 3.35Å; L102-M106 WeakPolarHBondContact O-CG 3.07Å; L102-M106 PolarHBondContact O-N 3.26Å; M106-C108 PolarHBondContact O-N 3.2Å; M106-L109 HydrophobicContact CB-CD2 4.24Å; M106-L109 HydrophobicContact CE-CD2 3.72Å; M106-L109 HydrophobicContact SD-CD2 3.61Å; M106-Y327 VanDerWaalsContact CA-OH 3.23Å; M106-Y327 WeakPolarHBondContact CA-OH 3.48Å; M106-Y327 PolarHBondContact O-OH 3.02Å
107G86.9Confident93.2Very high9 Ų925.7 Ų25.79%0.09314%0.142CC..SBendtrans76-67.418000000110.6L103 Y327 G623L103-G107 VanDerWaalsContact O-CA 3.31Å; L103-G107 WeakPolarHBondContact O-CA 3.44Å; L103-G107 PolarHBondContact O-N 2.84Å; G107-Y327 PolarHBondContact N-OH 3.2Å; G107-G623 WeakPolarHBondContact O-CA 3.29Å
108C90.2Very high93.4Very high51 Ų5125.7 Ų25.735%0.34514%0.142SC..SBendtrans-145.9159.7172670000110.5M106 M620M106-C108 PolarHBondContact O-N 3.2Å; C108-M620 CarbonylContact C-O 3.59Å; C108-M620 WeakPolarHBondContact CA-O 3.28Å
109L92.9Very high93.6Very high6 Ų625.7 Ų25.73%0.03114%0.142CC..  trans-98.7157.3177.5-58.2-175.4000110.9L103 M106 H113 A114 Y117 M620L103-L109 HydrophobicContact CD2-CD1 4.2Å; L103-L109 HydrophobicContact CD2-CD2 4.45Å; L103-L109 HydrophobicContact CD2-CG 3.92Å; M106-L109 HydrophobicContact CB-CD2 4.24Å; M106-L109 HydrophobicContact CE-CD2 3.72Å; M106-L109 HydrophobicContact SD-CD2 3.61Å; L109-H113 HydrophobicContact CB-CB 4.37Å; L109-A114 HydrophobicContact CB-CB 4.38Å; L109-Y117 HydrophobicContact CD1-CD2 3.74Å; L109-Y117 HydrophobicContact CD1-CE2 4.05Å; L109-M620 HydrophobicContact CD1-CB 4.18Å; L109-M620 HydrophobicContact CD1-CG 4.06Å; L109-M620 HydrophobicContact CD1-SD 3.92Å; L109-M620 HydrophobicContact CG-CB 4.48Å; L109-M620 PolarHBondContact N-O 3.04Å
110Q93Very high93.6Very high78 Ų7825.7 Ų25.736%0.36414%0.142SC..  trans-71.3152.5167.9-63.8-55.4-53.300110.3S112 H113 A114 K664Q110-S112 VanDerWaalsContact C-N 3.29Å; Q110-S112 PolarHBondContact O-N 3.35Å; Q110-H113 HydrophobicContact CB-CB 4.49Å; Q110-H113 WeakPolarHBondContact O-CB 3.34Å; Q110-H113 PolarHBondContact O-N 2.83Å; Q110-A114 PolarHBondContact O-N 2.87Å; Q110-K664 VanDerWaalsContact NE2-NZ 3.15Å
111E94.9Very high93.8Very high59 Ų5924.1 Ų24.128%0.27614%0.135SC..Hα-helixtrans-56.2-42.7-179.8-73.8-166.2178.800112.9H113 A114 A115 L621 S669 F699E111-H113 VanDerWaalsContact C-N 3.3Å; E111-H113 PolarHBondContact O-N 3.06Å; E111-A114 PolarHBondContact O-N 2.89Å; E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.25Å; E111-L621 HydrophobicContact CB-CD2 4.38Å; E111-L621 HydrophobicContact CG-CD2 3.77Å; E111-S669 VanDerWaalsContact CD-OG 3.26Å; E111-S669 WeakPolarHBondContact OE1-CB 3.45Å; E111-S669 PolarHBondContact OE1-N 3.34Å; E111-S669 PolarHBondContact OE1-OG 3.46Å; E111-S669 WeakPolarHBondContact OE2-CB 3.44Å; E111-S669 PolarHBondContact OE2-OG 2.92Å; E111-F699 HydrophobicContact CB-CE2 3.8Å; E111-F699 HydrophobicContact CB-CZ 4.19Å; E111-F699 HydrophobicContact CG-CE2 3.93Å; E111-F699 HydrophobicContact CG-CZ 4.45Å
112S94.8Very high94.1Very high76 Ų7624 Ų2453%0.53113%0.134SC..Hα-helixtrans-58.6-41.5176.153.10000112.5Q110 I116Q110-S112 VanDerWaalsContact C-N 3.29Å; Q110-S112 PolarHBondContact O-N 3.35Å; S112-I116 WeakPolarHBondContact O-CG1 3.45Å; S112-I116 PolarHBondContact O-N 2.85Å
113H95.1Very high94.2Very high49 Ų4924.9 Ų24.923%0.22714%0.139CC..Hα-helixtrans-71.9-44.5179-68.1176.1000112.1L109 Q110 E111 A115 I116 Y117 P715L109-H113 HydrophobicContact CB-CB 4.37Å; Q110-H113 HydrophobicContact CB-CB 4.49Å; Q110-H113 WeakPolarHBondContact O-CB 3.34Å; Q110-H113 PolarHBondContact O-N 2.83Å; E111-H113 VanDerWaalsContact C-N 3.3Å; E111-H113 PolarHBondContact O-N 3.06Å; H113-A115 PolarHBondContact O-N 3.36Å; H113-I116 PolarHBondContact O-N 2.99Å; H113-Y117 PolarHBondContact O-N 2.77Å; H113-P715 HydrophobicContact CB-CB 3.67Å; H113-P715 HydrophobicContact CB-CG 3.54Å
114A97.1Very high94.3Very high0 Ų024.6 Ų24.60%014%0.137CC..Hα-helixtrans-62.3-34.8176.300000111.3L109 Q110 E111 T118 L617 M620 L621L109-A114 HydrophobicContact CB-CB 4.38Å; Q110-A114 PolarHBondContact O-N 2.87Å; E111-A114 PolarHBondContact O-N 2.89Å; A114-T118 VanDerWaalsContact O-CB 3.28Å; A114-T118 WeakPolarHBondContact O-CB 3.36Å; A114-T118 PolarHBondContact O-N 3.13Å; A114-T118 PolarHBondContact O-OG1 2.85Å; A114-L617 HydrophobicContact CB-CD1 4.12Å; A114-M620 HydrophobicContact CB-CB 4.09Å; A114-M620 HydrophobicContact CB-CE 4.25Å; A114-L621 HydrophobicContact CB-CD2 3.51Å; A114-L621 HydrophobicContact CB-CG 4.18Å
115A97.6Very high94.6Very high4 Ų422.9 Ų22.93%0.03313%0.128CC..Hα-helixtrans-62.5-48.9174.900000111.7E111 H113 Y117 T118 V119 F699 L700 V703E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 3.25Å; H113-A115 PolarHBondContact O-N 3.36Å; A115-Y117 PolarHBondContact O-N 2.73Å; A115-T118 WeakPolarHBondContact O-CB 3.24Å; A115-T118 PolarHBondContact O-N 2.73Å; A115-T118 VanDerWaalsContact O-N 3.16Å; A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 2.88Å; A115-F699 HydrophobicContact CB-CD1 4.31Å; A115-F699 HydrophobicContact CB-CE1 3.82Å; A115-F699 HydrophobicContact CB-CZ 4.19Å; A115-L700 HydrophobicContact CB-CD2 3.93Å; A115-V703 HydrophobicContact CB-CG2 3.63Å
116I96.9Very high94.9Very high15 Ų1523.5 Ų23.58%0.07713%0.128CC..Hα-helixtrans-55.4-52.1177.2-65.1167.6000110.6S112 H113 T118 V119 E120 V703 L712 M714S112-I116 WeakPolarHBondContact O-CG1 3.45Å; S112-I116 PolarHBondContact O-N 2.85Å; H113-I116 PolarHBondContact O-N 2.99Å; I116-T118 VanDerWaalsContact C-N 3.32Å; I116-T118 PolarHBondContact O-N 3.05Å; I116-V119 WeakPolarHBondContact O-CB 3.28Å; I116-V119 PolarHBondContact O-N 2.93Å; I116-V119 VanDerWaalsContact O-N 3.14Å; I116-E120 PolarHBondContact O-N 2.83Å; I116-E120 VanDerWaalsContact O-N 3.11Å; I116-V703 HydrophobicContact CG1-CG1 4.33Å; I116-V703 HydrophobicContact CG1-CG2 4.43Å; I116-L712 HydrophobicContact CD1-CB 4.49Å; I116-L712 HydrophobicContact CD1-CD1 4.38Å; I116-L712 HydrophobicContact CG1-CD1 4.18Å; I116-M714 HydrophobicContact CG2-CE 4.01Å; I116-M714 HydrophobicContact CG2-SD 4.09Å
117Y97.8Very high95.1Very high0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-63.8-35.5178.7-74.9-17.8000113.5L99 L102 L109 H113 A115 V119 E120 I121 G149 L151 M620 M714 P715L99-Y117 HydrophobicContact CD1-CD2 4.26Å; L99-Y117 HydrophobicContact CD1-CE2 4.24Å; L102-Y117 HydrophobicContact CD2-CE2 4.16Å; L109-Y117 HydrophobicContact CD1-CD2 3.74Å; L109-Y117 HydrophobicContact CD1-CE2 4.05Å; H113-Y117 PolarHBondContact O-N 2.77Å; A115-Y117 PolarHBondContact O-N 2.73Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 2.79Å; Y117-E120 PolarHBondContact O-N 3.11Å; Y117-I121 WeakPolarHBondContact O-CD1 3.03Å; Y117-I121 VanDerWaalsContact O-CG1 3.24Å; Y117-I121 WeakPolarHBondContact O-CG1 3.36Å; Y117-I121 PolarHBondContact O-N 3.14Å; Y117-I121 VanDerWaalsContact O-N 3.09Å; Y117-G149 WeakPolarHBondContact CE1-O 3.2Å; Y117-G149 PolarHBondContact OH-O 2.72Å; Y117-L151 VanDerWaalsContact CB-CD1 3.47Å; Y117-L151 HydrophobicContact CD1-CD1 3.48Å; Y117-L151 VanDerWaalsContact CD1-CD1 3.48Å; Y117-L151 HydrophobicContact CD1-CD2 4.01Å; Y117-L151 HydrophobicContact CD1-CG 3.46Å; Y117-L151 VanDerWaalsContact CD1-CG 3.46Å; Y117-L151 HydrophobicContact CD2-CD1 4.17Å; Y117-L151 HydrophobicContact CE1-CD1 4.19Å; Y117-L151 HydrophobicContact CE1-CD2 3.83Å; Y117-L151 HydrophobicContact CE1-CG 3.73Å; Y117-L151 HydrophobicContact CE2-CD2 4.46Å; Y117-L151 HydrophobicContact CG-CD1 3.45Å; Y117-L151 VanDerWaalsContact CG-CD1 3.45Å; Y117-L151 HydrophobicContact CG-CD2 4.38Å; Y117-L151 HydrophobicContact CG-CG 3.96Å; Y117-M620 HydrophobicContact CD2-SD 4.28Å; Y117-M714 HydrophobicContact CD1-CE 4.29Å; Y117-M714 HydrophobicContact CE1-CE 3.7Å; Y117-P715 HydrophobicContact CD1-CG 4.27Å; Y117-P715 HydrophobicContact CD2-CG 4.19Å; Y117-P715 HydrophobicContact CE1-CB 4.48Å; Y117-P715 HydrophobicContact CE1-CG 3.9Å; Y117-P715 HydrophobicContact CE2-CB 3.75Å; Y117-P715 HydrophobicContact CE2-CG 3.78Å; Y117-P715 HydrophobicContact CG-CG 4.43Å
118T98.4Very high95.3Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-64-39.9174.1-59.60000111.4A114 A115 I116 A122 L613 L617 M620 L700A114-T118 VanDerWaalsContact O-CB 3.28Å; A114-T118 WeakPolarHBondContact O-CB 3.36Å; A114-T118 PolarHBondContact O-N 3.13Å; A114-T118 PolarHBondContact O-OG1 2.85Å; A115-T118 WeakPolarHBondContact O-CB 3.24Å; A115-T118 PolarHBondContact O-N 2.73Å; A115-T118 VanDerWaalsContact O-N 3.16Å; I116-T118 VanDerWaalsContact C-N 3.32Å; I116-T118 PolarHBondContact O-N 3.05Å; T118-A122 VanDerWaalsContact O-CB 3.26Å; T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.29Å; T118-L613 HydrophobicContact CG2-CD1 4.2Å; T118-L613 HydrophobicContact CG2-CD2 4.31Å; T118-L613 HydrophobicContact CG2-CG 4.44Å; T118-L617 HydrophobicContact CG2-CD2 4.41Å; T118-M620 WeakPolarHBondContact OG1-CE 3.42Å; T118-L700 HydrophobicContact CG2-CD1 4.22Å; T118-L700 HydrophobicContact CG2-CD2 4.04Å
119V97.9Very high95.4Very high0 Ų021.4 Ų21.40%011%0.109CC..Hα-helixtrans-60.9-48.9175.71680000111A115 I116 Y117 I121 A122 I123 L700 V703 W706 L709A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 2.88Å; I116-V119 WeakPolarHBondContact O-CB 3.28Å; I116-V119 PolarHBondContact O-N 2.93Å; I116-V119 VanDerWaalsContact O-N 3.14Å; Y117-V119 VanDerWaalsContact C-N 3.33Å; Y117-V119 PolarHBondContact O-N 2.79Å; V119-I121 PolarHBondContact O-N 3.48Å; V119-A122 PolarHBondContact O-N 3.15Å; V119-I123 HydrophobicContact CG1-CD1 3.85Å; V119-I123 HydrophobicContact CG1-CG1 4.43Å; V119-I123 WeakPolarHBondContact O-CG1 3.31Å; V119-I123 PolarHBondContact O-N 3.48Å; V119-L700 HydrophobicContact CG2-CB 4.31Å; V119-L700 HydrophobicContact CG2-CD1 4.32Å; V119-L700 HydrophobicContact CG2-CD2 4.08Å; V119-L700 HydrophobicContact CG2-CG 4.47Å; V119-V703 HydrophobicContact CB-CG1 4.44Å; V119-V703 HydrophobicContact CG2-CB 4.12Å; V119-V703 HydrophobicContact CG2-CG1 3.98Å; V119-V703 HydrophobicContact CG2-CG2 3.95Å; V119-W706 HydrophobicContact CB-CD2 4.41Å; V119-W706 HydrophobicContact CB-CH2 4.42Å; V119-W706 HydrophobicContact CB-CZ2 4.16Å; V119-W706 HydrophobicContact CG1-CB 4.38Å; V119-W706 HydrophobicContact CG1-CD2 3.37Å; V119-W706 HydrophobicContact CG1-CE3 3.71Å; V119-W706 HydrophobicContact CG1-CG 3.68Å; V119-W706 HydrophobicContact CG1-CH2 4.22Å; V119-W706 HydrophobicContact CG1-CZ2 3.98Å; V119-W706 HydrophobicContact CG1-CZ3 4.1Å; V119-W706 HydrophobicContact CG2-CD2 4.33Å; V119-W706 HydrophobicContact CG2-CH2 4.15Å; V119-W706 HydrophobicContact CG2-CZ2 3.49Å; V119-W706 VanDerWaalsContact CG2-CZ2 3.49Å; V119-L709 HydrophobicContact CG1-CD1 3.69Å; V119-L709 HydrophobicContact CG1-CD2 4.33Å
120E96.9Very high95.2Very high1 Ų129.8 Ų29.81%0.00515%0.145CC..Hα-helixtrans-60.2-44.9-179.9-66.8-176.5159.400112.1Y73 I116 Y117 A122 I123 A124 H150 L151 L709 M714Y73-E120 HydrophobicContact CD1-CB 3.86Å; Y73-E120 HydrophobicContact CD1-CG 3.93Å; Y73-E120 HydrophobicContact CE1-CB 4.08Å; Y73-E120 HydrophobicContact CE1-CG 3.64Å; Y73-E120 HydrophobicContact CG-CB 4.24Å; I116-E120 PolarHBondContact O-N 2.83Å; I116-E120 VanDerWaalsContact O-N 3.11Å; Y117-E120 PolarHBondContact O-N 3.11Å; E120-A122 VanDerWaalsContact C-N 3.34Å; E120-A122 PolarHBondContact O-N 3.35Å; E120-I123 PolarHBondContact O-N 2.71Å; E120-A124 PolarHBondContact O-N 3.12Å; E120-A124 VanDerWaalsContact O-N 3.09Å; E120-H150 IonicContact OE1-CE1 3.94Å; E120-H150 IonicContact OE1-CG 2.91Å; E120-H150 IonicContact OE1-ND1 3.12Å; E120-H150 PolarHBondContact OE1-ND1 2.81Å; E120-L151 HydrophobicContact CB-CB 4.43Å; E120-L151 VanDerWaalsContact OE2-CB 3.28Å; E120-L151 WeakPolarHBondContact OE2-CB 3.48Å; E120-L151 WeakPolarHBondContact OE2-CG 3.4Å; E120-L151 PolarHBondContact OE2-N 2.68Å; E120-L709 HydrophobicContact CG-CD1 4.05Å; E120-M714 WeakPolarHBondContact OE1-CE 3.23Å
121I97.9Very high94.8Very high1 Ų129.9 Ų29.91%0.00515%0.145CC..Hα-helixtrans-64-42.1176.7-60161.5000110.3Y117 V119 I123 A124 L125 L138 I143 L151 L153 L613 I616Y117-I121 WeakPolarHBondContact O-CD1 3.03Å; Y117-I121 VanDerWaalsContact O-CG1 3.24Å; Y117-I121 WeakPolarHBondContact O-CG1 3.36Å; Y117-I121 PolarHBondContact O-N 3.14Å; Y117-I121 VanDerWaalsContact O-N 3.09Å; V119-I121 PolarHBondContact O-N 3.48Å; I121-I123 PolarHBondContact O-N 2.79Å; I121-A124 WeakPolarHBondContact O-CB 3.17Å; I121-A124 PolarHBondContact O-N 3.42Å; I121-L125 HydrophobicContact CG2-CD1 4.23Å; I121-L125 HydrophobicContact CG2-CG 4.29Å; I121-L125 WeakPolarHBondContact O-CG 3.3Å; I121-L125 PolarHBondContact O-N 2.86Å; I121-L138 HydrophobicContact CG2-CD1 4.45Å; I121-L138 HydrophobicContact CG2-CD2 4.11Å; I121-I143 HydrophobicContact CD1-CD1 3.75Å; I121-I143 HydrophobicContact CG1-CD1 4.13Å; I121-L151 HydrophobicContact CD1-CD1 4.03Å; I121-L151 HydrophobicContact CG1-CD1 4.02Å; I121-L153 HydrophobicContact CG2-CD2 4.44Å; I121-L613 HydrophobicContact CB-CD1 3.91Å; I121-L613 HydrophobicContact CD1-CD1 4.1Å; I121-L613 HydrophobicContact CG2-CD1 3.67Å; I121-I616 HydrophobicContact CD1-CG2 4.25Å
122A97.8Very high94.3Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-61.8-41.8178.200000112.2T118 V119 E120 A124 L125 E126 W610 L613 I694 W706T118-A122 VanDerWaalsContact O-CB 3.26Å; T118-A122 WeakPolarHBondContact O-CB 3.28Å; T118-A122 PolarHBondContact O-N 3.29Å; V119-A122 PolarHBondContact O-N 3.15Å; E120-A122 VanDerWaalsContact C-N 3.34Å; E120-A122 PolarHBondContact O-N 3.35Å; A122-A124 VanDerWaalsContact C-N 3.33Å; A122-A124 PolarHBondContact O-N 3.1Å; A122-L125 PolarHBondContact O-N 2.8Å; A122-E126 WeakPolarHBondContact O-CB 3.44Å; A122-E126 WeakPolarHBondContact O-CG 3.34Å; A122-E126 PolarHBondContact O-N 3.14Å; A122-W610 HydrophobicContact CB-CH2 4.16Å; A122-W610 HydrophobicContact CB-CZ3 4.03Å; A122-L613 HydrophobicContact CB-CD2 4.3Å; A122-I694 HydrophobicContact CB-CD1 4.04Å; A122-I694 HydrophobicContact CB-CG2 4.48Å; A122-W706 HydrophobicContact CB-CH2 3.93Å; A122-W706 HydrophobicContact CB-CZ3 3.94Å
123I95.8Very high93.9Very high32 Ų3224.2 Ų24.216%0.16412%0.115CC..Hα-helixtrans-61.6-43.3175.2-64.9164.8000110.6Y73 V119 E120 I121 Y127 W706 L709Y73-I123 HydrophobicContact CD2-CB 3.88Å; Y73-I123 HydrophobicContact CD2-CD1 4.35Å; Y73-I123 HydrophobicContact CD2-CG2 3.67Å; Y73-I123 HydrophobicContact CE2-CB 4.09Å; Y73-I123 HydrophobicContact CE2-CD1 3.71Å; Y73-I123 HydrophobicContact CE2-CG2 3.84Å; V119-I123 HydrophobicContact CG1-CD1 3.85Å; V119-I123 HydrophobicContact CG1-CG1 4.43Å; V119-I123 WeakPolarHBondContact O-CG1 3.31Å; V119-I123 PolarHBondContact O-N 3.48Å; E120-I123 PolarHBondContact O-N 2.71Å; I121-I123 PolarHBondContact O-N 2.79Å; I123-Y127 WeakPolarHBondContact O-CB 3.35Å; I123-Y127 PolarHBondContact O-N 3.18Å; I123-W706 HydrophobicContact CD1-CB 4.15Å; I123-W706 HydrophobicContact CD1-CD2 4.45Å; I123-W706 HydrophobicContact CD1-CE3 3.89Å; I123-W706 HydrophobicContact CG1-CD2 4.47Å; I123-W706 HydrophobicContact CG1-CE3 3.47Å; I123-W706 VanDerWaalsContact CG1-CE3 3.47Å; I123-W706 HydrophobicContact CG1-CZ3 3.88Å; I123-L709 HydrophobicContact CD1-CD1 3.86Å
124A95Very high93.6Very high0 Ų022.2 Ų22.20%011%0.105CC..Hα-helixtrans-62.1-44.5177.300000111.9I74 E120 I121 A122 Y127 L128 L153I74-A124 HydrophobicContact CG1-CB 4.29Å; E120-A124 PolarHBondContact O-N 3.12Å; E120-A124 VanDerWaalsContact O-N 3.09Å; I121-A124 WeakPolarHBondContact O-CB 3.17Å; I121-A124 PolarHBondContact O-N 3.42Å; A122-A124 VanDerWaalsContact C-N 3.33Å; A122-A124 PolarHBondContact O-N 3.1Å; A124-Y127 WeakPolarHBondContact O-CB 3.49Å; A124-Y127 PolarHBondContact O-N 2.93Å; A124-L128 VanDerWaalsContact O-CG 3.28Å; A124-L128 WeakPolarHBondContact O-CG 3.31Å; A124-L128 PolarHBondContact O-N 2.94Å; A124-L153 HydrophobicContact CB-CD1 3.5Å; A124-L153 HydrophobicContact CB-CG 3.77Å
125L95.3Very high93.3Very high0 Ų022.2 Ų22.20%011%0.105CC..Hα-helixtrans-65.6-46.5177.7-69.3-177.1000112.4I121 A122 Y127 L128 H129 L138 L153 D609 W610 L613I121-L125 HydrophobicContact CG2-CD1 4.23Å; I121-L125 HydrophobicContact CG2-CG 4.29Å; I121-L125 WeakPolarHBondContact O-CG 3.3Å; I121-L125 PolarHBondContact O-N 2.86Å; A122-L125 PolarHBondContact O-N 2.8Å; L125-Y127 PolarHBondContact O-N 3.23Å; L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-H129 WeakPolarHBondContact O-CB 3.49Å; L125-H129 PolarHBondContact O-N 3.22Å; L125-L138 HydrophobicContact CD1-CD2 3.92Å; L125-L138 HydrophobicContact CD2-CD2 4.19Å; L125-L138 HydrophobicContact CG-CD2 4.46Å; L125-L153 HydrophobicContact CD2-CD1 4.27Å; L125-D609 HydrophobicContact CD1-CB 4.16Å; L125-D609 HydrophobicContact CD2-CB 3.8Å; L125-W610 HydrophobicContact CB-CH2 3.98Å; L125-W610 HydrophobicContact CB-CZ2 3.99Å; L125-W610 HydrophobicContact CB-CZ3 4.45Å; L125-W610 HydrophobicContact CD1-CD2 4.33Å; L125-W610 HydrophobicContact CD1-CE3 4.06Å; L125-W610 HydrophobicContact CD1-CH2 4.45Å; L125-W610 HydrophobicContact CD1-CZ3 4.12Å; L125-L613 HydrophobicContact CD1-CB 4.26Å; L125-L613 HydrophobicContact CD1-CD2 4.31Å
126E93.7Very high92.8Very high59 Ų5924.5 Ų24.528%0.27611%0.113SC..Hα-helixtrans-54.7-44174.2-77.9-175.1172.100110.9A122 K130 W610 K695A122-E126 WeakPolarHBondContact O-CB 3.44Å; A122-E126 WeakPolarHBondContact O-CG 3.34Å; A122-E126 PolarHBondContact O-N 3.14Å; E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 PolarHBondContact O-N 2.64Å; E126-W610 HydrophobicContact CG-CH2 4.16Å; E126-W610 HydrophobicContact CG-CZ2 4.21Å; E126-K695 VanDerWaalsContact OE1-CE 3.26Å; E126-K695 WeakPolarHBondContact OE1-CE 3.4Å; E126-K695 IonicContact OE1-NZ 2.69Å; E126-K695 PolarHBondContact OE1-NZ 3.47Å; E126-K695 WeakPolarHBondContact OE2-CE 3.27Å; E126-K695 IonicContact OE2-NZ 2.74Å; E126-K695 PolarHBondContact OE2-NZ 2.94Å
127Y92.2Very high92.4Very high36 Ų3624.6 Ų24.614%0.14111%0.114CC..Hα-helixtrans-61.8-50.3177.2177.1-89.7000111.7V68 K70 C71 I74 I123 A124 L125 K130 H131V68-Y127 PolarHBondContact O-OH 3.28Å; K70-Y127 HydrophobicContact CB-CE2 4.23Å; K70-Y127 VanDerWaalsContact N-CZ 3.34Å; K70-Y127 PolarHBondContact N-OH 2.91Å; C71-Y127 HydrophobicContact CB-CD1 3.66Å; C71-Y127 HydrophobicContact CB-CD2 4.14Å; C71-Y127 HydrophobicContact CB-CE1 4.11Å; C71-Y127 HydrophobicContact CB-CG 3.69Å; I74-Y127 HydrophobicContact CD1-CD1 3.66Å; I74-Y127 HydrophobicContact CD1-CE1 4.13Å; I123-Y127 WeakPolarHBondContact O-CB 3.35Å; I123-Y127 PolarHBondContact O-N 3.18Å; A124-Y127 WeakPolarHBondContact O-CB 3.49Å; A124-Y127 PolarHBondContact O-N 2.93Å; L125-Y127 PolarHBondContact O-N 3.23Å; Y127-K130 PolarHBondContact O-N 2.8Å; Y127-H131 AromaticContact CD2-CE1 3.59Å; Y127-H131 AromaticContact CD2-ND1 3.83Å; Y127-H131 AromaticContact CE1-ND1 3.93Å; Y127-H131 AromaticContact CE2-CE1 3.12Å; Y127-H131 WeakPolarHBondContact CE2-CE1 3.42Å; Y127-H131 AromaticContact CE2-ND1 3.61Å; Y127-H131 AromaticContact CE2-NE2 3.83Å; Y127-H131 AromaticContact CZ-CE1 3.45Å; Y127-H131 VanDerWaalsContact CZ-CE1 3.45Å; Y127-H131 AromaticContact CZ-ND1 3.62Å; Y127-H131 AromaticContact CZ-NE2 3.9Å; Y127-H131 PolarHBondContact O-N 2.75Å; Y127-H131 PolarHBondContact O-ND1 3.36Å
128L90.5Very high92.2Very high0 Ų024.7 Ų24.70%011%0.114CC..Hα-helixtrans-59-51.8-179.9-72.7166.5000111.2I74 A124 L125 K130 H131 G132 I133 L153 F156I74-L128 HydrophobicContact CD1-CD1 4.24Å; I74-L128 HydrophobicContact CD1-CD2 3.65Å; I74-L128 HydrophobicContact CD1-CG 3.74Å; A124-L128 VanDerWaalsContact O-CG 3.28Å; A124-L128 WeakPolarHBondContact O-CG 3.31Å; A124-L128 PolarHBondContact O-N 2.94Å; L125-L128 HydrophobicContact CD2-CD1 4.37Å; L125-L128 PolarHBondContact O-N 3.44Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.25Å; L128-H131 CarbonylContact O-C 3.51Å; L128-H131 WeakPolarHBondContact O-CA 3.5Å; L128-H131 PolarHBondContact O-N 3.2Å; L128-G132 PolarHBondContact O-N 2.74Å; L128-G132 VanDerWaalsContact O-N 3.15Å; L128-I133 CarbonylContact C-O 3.4Å; L128-I133 HydrophobicContact CB-CB 4.21Å; L128-I133 HydrophobicContact CD2-CB 3.93Å; L128-I133 HydrophobicContact CD2-CD1 4.09Å; L128-I133 HydrophobicContact CD2-CG2 3.77Å; L128-I133 PolarHBondContact O-N 2.79Å; L128-I133 VanDerWaalsContact O-O 3.09Å; L128-L153 HydrophobicContact CD1-CD1 3.96Å; L128-F156 HydrophobicContact CD1-CE1 3.68Å; L128-F156 HydrophobicContact CD1-CZ 4.29Å; L128-F156 HydrophobicContact CD2-CD1 4.31Å; L128-F156 HydrophobicContact CD2-CE1 3.49Å; L128-F156 VanDerWaalsContact CD2-CE1 3.49Å; L128-F156 HydrophobicContact CD2-CZ 4.14Å; L128-F156 HydrophobicContact CG-CE1 4.23Å
129H91.6Very high92Very high34 Ų3426 Ų2616%0.15712%0.12CC..Hα-helixtrans-63.1-39.5-176.9-62.5170.4000111.4L125 H131 G132 I133 P606 D609 W610L125-H129 WeakPolarHBondContact O-CB 3.49Å; L125-H129 PolarHBondContact O-N 3.22Å; H129-H131 PolarHBondContact O-N 2.92Å; H129-G132 PolarHBondContact O-N 2.99Å; H129-I133 PolarHBondContact CD2-O 2.94Å; H129-I133 PolarHBondContact N-O 2.92Å; H129-P606 HydrophobicContact CB-CB 4.42Å; H129-P606 PolarHBondContact CE1-O 3.32Å; H129-D609 IonicContact CD2-OD2 3.48Å; H129-D609 IonicContact CE1-OD2 3.82Å; H129-D609 IonicContact NE2-OD2 3.18Å; H129-D609 PolarHBondContact NE2-OD2 2.96Å; H129-W610 AromaticContact CE1-CD1 3.76Å; H129-W610 AromaticContact CE1-CE2 3.88Å; H129-W610 AromaticContact CE1-NE1 3.25Å; H129-W610 PolarHBondContact CE1-NE1 3.21Å; H129-W610 VanDerWaalsContact CE1-NE1 3.25Å; H129-W610 AromaticContact ND1-CE2 3.84Å; H129-W610 AromaticContact ND1-NE1 3.18Å; H129-W610 PolarHBondContact ND1-NE1 3.44Å; H129-W610 VanDerWaalsContact ND1-NE1 3.18Å
130K88.8Confident91.9Very high182 Ų18226 Ų2679%0.79112%0.12SC*.Hα-helixtrans-61.5-31.6174.2-178.6177.4178.3179.90112.9E126 Y127 L128 G132E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 PolarHBondContact O-N 2.64Å; Y127-K130 PolarHBondContact O-N 2.8Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.25Å; K130-G132 VanDerWaalsContact C-N 3.27Å
131H85.2Confident91.6Very high79 Ų7927.5 Ų27.537%0.36613%0.128SC..THydrogen-bonded Turntrans-9110.8175.3-65.879.5000112.6Y127 L128 H129 I133Y127-H131 AromaticContact CD2-CE1 3.59Å; Y127-H131 AromaticContact CD2-ND1 3.83Å; Y127-H131 AromaticContact CE1-ND1 3.93Å; Y127-H131 AromaticContact CE2-CE1 3.12Å; Y127-H131 WeakPolarHBondContact CE2-CE1 3.42Å; Y127-H131 AromaticContact CE2-ND1 3.61Å; Y127-H131 AromaticContact CE2-NE2 3.83Å; Y127-H131 AromaticContact CZ-CE1 3.45Å; Y127-H131 VanDerWaalsContact CZ-CE1 3.45Å; Y127-H131 AromaticContact CZ-ND1 3.62Å; Y127-H131 AromaticContact CZ-NE2 3.9Å; Y127-H131 PolarHBondContact O-N 2.75Å; Y127-H131 PolarHBondContact O-ND1 3.36Å; L128-H131 CarbonylContact O-C 3.51Å; L128-H131 WeakPolarHBondContact O-CA 3.5Å; L128-H131 PolarHBondContact O-N 3.2Å; H129-H131 PolarHBondContact O-N 2.92Å; H131-I133 VanDerWaalsContact C-N 3.27Å; H131-I133 HydrophobicContact CB-CD1 4.4Å; H131-I133 HydrophobicContact CB-CG1 4.49Å; H131-I133 PolarHBondContact O-N 2.91Å
132G84.4Confident91.4Very high15 Ų1527.6 Ų27.616%0.15513%0.129CC..THydrogen-bonded Turntrans68.427.7177.200000113.4L128 H129 K130 T162L128-G132 PolarHBondContact O-N 2.74Å; L128-G132 VanDerWaalsContact O-N 3.15Å; H129-G132 PolarHBondContact O-N 2.99Å; K130-G132 VanDerWaalsContact C-N 3.27Å; G132-T162 VanDerWaalsContact CA-OG1 3.3Å; G132-T162 WeakPolarHBondContact CA-OG1 3.47Å; G132-T162 PolarHBondContact O-N 3.3Å; G132-T162 PolarHBondContact O-OG1 2.83Å
133I85.7Confident91.3Very high2 Ų227.6 Ų27.61%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-106.9130.4174.5-53.6171.3000108A65 V68 L128 H129 H131 T160 I161A65-I133 HydrophobicContact CB-CD1 4.03Å; A65-I133 HydrophobicContact CB-CG2 4.24Å; V68-I133 HydrophobicContact CG2-CD1 4.24Å; L128-I133 CarbonylContact C-O 3.4Å; L128-I133 HydrophobicContact CB-CB 4.21Å; L128-I133 HydrophobicContact CD2-CB 3.93Å; L128-I133 HydrophobicContact CD2-CD1 4.09Å; L128-I133 HydrophobicContact CD2-CG2 3.77Å; L128-I133 PolarHBondContact O-N 2.79Å; L128-I133 VanDerWaalsContact O-O 3.09Å; H129-I133 PolarHBondContact CD2-O 2.94Å; H129-I133 PolarHBondContact N-O 2.92Å; H131-I133 VanDerWaalsContact C-N 3.27Å; H131-I133 HydrophobicContact CB-CD1 4.4Å; H131-I133 HydrophobicContact CB-CG1 4.49Å; H131-I133 PolarHBondContact O-N 2.91Å; I133-T160 VanDerWaalsContact CA-O 3.32Å; I133-T160 WeakPolarHBondContact CA-O 3.45Å; I133-I161 HydrophobicContact CG1-CG1 4.38Å
134I88.9Confident91.3Very high6 Ų627.3 Ų27.33%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-118.5129.6173.1-54.4167.8000107.1R136 S159 T160 D604 P606 V608 D609I134-R136 HydrophobicContact CB-CG 4.26Å; I134-R136 HydrophobicContact CG2-CG 3.7Å; I134-S159 CarbonylContact O-C 3.09Å; I134-S159 WeakPolarHBondContact O-CA 3.39Å; I134-S159 WeakPolarHBondContact O-CB 3.41Å; I134-T160 HydrophobicContact CB-CG2 3.72Å; I134-T160 HydrophobicContact CD1-CG2 3.87Å; I134-T160 HydrophobicContact CG1-CG2 4.04Å; I134-T160 PolarHBondContact N-O 3.09Å; I134-T160 VanDerWaalsContact N-O 3.15Å; I134-T160 PolarHBondContact O-N 2.88Å; I134-T160 VanDerWaalsContact O-N 3.12Å; I134-D604 WeakPolarHBondContact CD1-O 3.32Å; I134-P606 HydrophobicContact CD1-CG 4.12Å; I134-P606 HydrophobicContact CG1-CG 4.29Å; I134-V608 HydrophobicContact CG2-CG2 3.94Å; I134-D609 VanDerWaalsContact CG2-OD2 3.3Å; I134-D609 WeakPolarHBondContact CG2-OD2 3.38Å
135H90.1Very high91.4Very high0 Ų027.3 Ų27.30%013%0.127CC..  trans-69-53.1-169.2-170.9-81000112.4D137 L138 T154 F156 S159 D609H135-D137 VanDerWaalsContact CE1-C 3.45Å; H135-D137 PolarHBondContact CE1-O 2.86Å; H135-D137 VanDerWaalsContact CE1-O 3.25Å; H135-D137 PolarHBondContact ND1-N 2.99Å; H135-D137 PolarHBondContact O-N 3.08Å; H135-L138 PolarHBondContact ND1-N 2.88Å; H135-L138 VanDerWaalsContact ND1-N 3.11Å; H135-T154 PolarHBondContact NE2-O 3.42Å; H135-T154 VanDerWaalsContact NE2-O 3.14Å; H135-F156 AromaticContact CD2-CD1 3.79Å; H135-F156 AromaticContact CD2-CE1 3.57Å; H135-S159 WeakPolarHBondContact CA-OG 3.43Å; H135-S159 WeakPolarHBondContact O-CA 3.38Å; H135-S159 PolarHBondContact O-N 3.23Å; H135-S159 PolarHBondContact O-OG 3.28Å; H135-D609 WeakPolarHBondContact CB-OD2 3.32Å; H135-D609 PolarHBondContact N-OD1 3.37Å; H135-D609 PolarHBondContact N-OD2 3.36Å
136R88.3Confident91.3Very high53 Ų5328.4 Ų28.420%0.213%0.133CC..SBendtrans69.6-11.3175.9-54.7-167-69.8-167.10.7118.2I134 L158 S159 T160 C603 D604 V608 D609I134-R136 HydrophobicContact CB-CG 4.26Å; I134-R136 HydrophobicContact CG2-CG 3.7Å; R136-L158 HydrophobicContact CB-CB 4.44Å; R136-L158 VanDerWaalsContact CZ-O 3.23Å; R136-L158 PolarHBondContact NE-O 3.39Å; R136-L158 PolarHBondContact NH2-O 3.26Å; R136-S159 VanDerWaalsContact NH2-C 3.35Å; R136-S159 PolarHBondContact NH2-O 2.72Å; R136-T160 VanDerWaalsContact NH2-N 3.17Å; R136-C603 WeakPolarHBondContact CD-O 3.25Å; R136-C603 PolarHBondContact NH1-O 3.24Å; R136-D604 IonicContact NH1-OD1 3.53Å; R136-D604 PolarHBondContact NH1-OD1 3.13Å; R136-V608 HydrophobicContact CG-CG2 4.27Å; R136-D609 PolarHBondContact N-OD1 2.93Å
137D88Confident91.3Very high16 Ų1629.3 Ų29.39%0.08615%0.146CC..  trans-130.844.3170.5-166.836000111.3H135 K139 N142 L158 G584H135-D137 VanDerWaalsContact CE1-C 3.45Å; H135-D137 PolarHBondContact CE1-O 2.86Å; H135-D137 VanDerWaalsContact CE1-O 3.25Å; H135-D137 PolarHBondContact ND1-N 2.99Å; H135-D137 PolarHBondContact O-N 3.08Å; D137-K139 VanDerWaalsContact CG-NZ 3.33Å; D137-K139 PolarHBondContact O-N 3.27Å; D137-K139 IonicContact OD1-NZ 2.69Å; D137-K139 PolarHBondContact OD1-NZ 3.42Å; D137-K139 VanDerWaalsContact OD1-NZ 3.11Å; D137-K139 IonicContact OD2-NZ 3.95Å; D137-K139 PolarHBondContact OD2-NZ 3.3Å; D137-N142 PolarHBondContact O-ND2 3.43Å; D137-N142 PolarHBondContact OD2-ND2 3.18Å; D137-L158 HydrophobicContact CB-CB 4.17Å; D137-L158 HydrophobicContact CB-CD1 3.66Å; D137-L158 HydrophobicContact CB-CG 4.22Å; D137-G584 WeakPolarHBondContact OD1-CA 3.42Å
138L94.2Very high91.4Very high3 Ų333 Ų332%0.01616%0.163CC..  trans-73.2118.5-179.7-171.775.3000109.2I121 L125 H135 I143 L153 A612 L613 I616I121-L138 HydrophobicContact CG2-CD1 4.45Å; I121-L138 HydrophobicContact CG2-CD2 4.11Å; L125-L138 HydrophobicContact CD1-CD2 3.92Å; L125-L138 HydrophobicContact CD2-CD2 4.19Å; L125-L138 HydrophobicContact CG-CD2 4.46Å; H135-L138 PolarHBondContact ND1-N 2.88Å; H135-L138 VanDerWaalsContact ND1-N 3.11Å; L138-I143 HydrophobicContact CD1-CD1 4.47Å; L138-L153 HydrophobicContact CD1-CD1 4.01Å; L138-L153 HydrophobicContact CD1-CD2 3.69Å; L138-L153 HydrophobicContact CD1-CG 4.49Å; L138-A612 HydrophobicContact CB-CB 3.86Å; L138-A612 HydrophobicContact CD2-CB 4.12Å; L138-A612 HydrophobicContact CG-CB 4.4Å; L138-L613 HydrophobicContact CD2-CB 4.44Å; L138-I616 HydrophobicContact CD2-CD1 3.99Å; L138-I616 HydrophobicContact CG-CD1 3.78Å
139K94Very high91.6Very high26 Ų2633 Ų3311%0.11316%0.163CC..SBendtrans-159.6160.8179.564.2-169.6178.6-147.80109.7D137 D141 N142 I143 T585 Y588D137-K139 VanDerWaalsContact CG-NZ 3.33Å; D137-K139 PolarHBondContact O-N 3.27Å; D137-K139 IonicContact OD1-NZ 2.69Å; D137-K139 PolarHBondContact OD1-NZ 3.42Å; D137-K139 VanDerWaalsContact OD1-NZ 3.11Å; D137-K139 IonicContact OD2-NZ 3.95Å; D137-K139 PolarHBondContact OD2-NZ 3.3Å; K139-D141 HydrophobicContact CD-CB 4.3Å; K139-D141 HydrophobicContact CG-CB 4.08Å; K139-D141 PolarHBondContact O-N 3.43Å; K139-D141 VanDerWaalsContact O-N 3.09Å; K139-N142 WeakPolarHBondContact CE-ND2 3.46Å; K139-N142 HydrophobicContact CG-CB 4.22Å; K139-N142 PolarHBondContact O-N 2.7Å; K139-I143 WeakPolarHBondContact O-CG1 3.41Å; K139-T585 VanDerWaalsContact CD-OG1 3.22Å; K139-T585 WeakPolarHBondContact CD-OG1 3.29Å; K139-T585 PolarHBondContact NZ-OG1 2.95Å; K139-Y588 HydrophobicContact CB-CD1 4.28Å; K139-Y588 HydrophobicContact CB-CD2 3.87Å; K139-Y588 HydrophobicContact CB-CE1 4.32Å; K139-Y588 HydrophobicContact CB-CE2 3.88Å; K139-Y588 HydrophobicContact CB-CG 4.08Å
140P95.3Very high91.8Very high0 Ų032 Ų320%016%0.158CC..G310 helixtrans-58.6-26.3-177.3-24.936000114.3L99 K100 L103 N142 I143 Y588 I616 E619L99-P140 HydrophobicContact CB-CB 4.09Å; L99-P140 HydrophobicContact CD2-CB 4.35Å; L99-P140 HydrophobicContact CG-CB 4.13Å; L99-P140 PolarHBondContact N-O 2.91Å; K100-P140 HydrophobicContact CB-CB 3.88Å; K100-P140 HydrophobicContact CD-CB 4.08Å; K100-P140 HydrophobicContact CD-CG 4.44Å; K100-P140 PolarHBondContact N-O 3.5Å; L103-P140 HydrophobicContact CD1-CB 4.29Å; L103-P140 HydrophobicContact CD1-CG 4.22Å; P140-N142 PolarHBondContact O-N 3.12Å; P140-I143 PolarHBondContact O-N 3.25Å; P140-Y588 VanDerWaalsContact CD-CZ 3.45Å; P140-Y588 VanDerWaalsContact CD-OH 3.26Å; P140-Y588 WeakPolarHBondContact CD-OH 3.31Å; P140-Y588 HydrophobicContact CG-CE1 4.3Å; P140-I616 HydrophobicContact CG-CG1 4.21Å; P140-E619 WeakPolarHBondContact CG-OE2 3.24Å
141D91.2Very high92.2Very high33 Ų3323.4 Ų23.418%0.17612%0.121CC..G310 helixtrans-67.3-22.3175.9-53.7-110.7000113.9K139 R732K139-D141 HydrophobicContact CD-CB 4.3Å; K139-D141 HydrophobicContact CG-CB 4.08Å; K139-D141 PolarHBondContact O-N 3.43Å; K139-D141 VanDerWaalsContact O-N 3.09Å; D141-R732 PolarHBondContact O-NH1 2.94Å; D141-R732 VanDerWaalsContact O-NH1 3.1Å
142N93.2Very high92.8Very high4 Ų421 Ų212%0.02111%0.109CC..G310 helixtrans-10517.2-178.9-69.3-8.5000111.7D137 K139 P140 T154 D155D137-N142 PolarHBondContact O-ND2 3.43Å; D137-N142 PolarHBondContact OD2-ND2 3.18Å; K139-N142 WeakPolarHBondContact CE-ND2 3.46Å; K139-N142 HydrophobicContact CG-CB 4.22Å; K139-N142 PolarHBondContact O-N 2.7Å; P140-N142 PolarHBondContact O-N 3.12Å; N142-T154 WeakPolarHBondContact O-CG2 2.91Å; N142-T154 PolarHBondContact O-N 2.7Å; N142-D155 HydrophobicContact CB-CB 4.49Å
143I96.2Very high93.3Very high0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-123.2113.7176.4-56.5176.8000107.3D98 L99 I121 L138 K139 P140 L151 L153 I616D98-I143 CarbonylContact C-O 3.55Å; D98-I143 VanDerWaalsContact CA-O 3.28Å; D98-I143 WeakPolarHBondContact CA-O 2.96Å; L99-I143 HydrophobicContact CB-CB 4.05Å; L99-I143 HydrophobicContact CB-CG2 4.22Å; L99-I143 HydrophobicContact CD2-CB 4.39Å; L99-I143 HydrophobicContact CD2-CD1 4.08Å; L99-I143 HydrophobicContact CD2-CG2 4.24Å; L99-I143 PolarHBondContact N-O 3.27Å; I121-I143 HydrophobicContact CD1-CD1 3.75Å; I121-I143 HydrophobicContact CG1-CD1 4.13Å; L138-I143 HydrophobicContact CD1-CD1 4.47Å; K139-I143 WeakPolarHBondContact O-CG1 3.41Å; P140-I143 PolarHBondContact O-N 3.25Å; I143-L151 HydrophobicContact CG2-CB 3.79Å; I143-L151 HydrophobicContact CG2-CD1 3.92Å; I143-L151 HydrophobicContact CG2-CD2 3.92Å; I143-L151 HydrophobicContact CG2-CG 4.08Å; I143-L153 HydrophobicContact CD1-CD2 4.18Å; I143-L153 HydrophobicContact CG1-CD2 3.7Å; I143-L153 HydrophobicContact CG2-CD2 4.49Å; I143-I616 HydrophobicContact CD1-CD1 4.04Å
144L96.1Very high93.5Very high26 Ų2621.1 Ų21.114%0.13611%0.107CC..EExtended strand (participates in β ladder)trans-100.8158.1-177.6-64.1-179.7000111.4V75 L94 G97 D98 L151 K152 T154 F729V75-L144 HydrophobicContact CG2-CD1 4.28Å; L94-L144 HydrophobicContact CB-CB 4.02Å; L94-L144 HydrophobicContact CB-CD1 4.39Å; L94-L144 HydrophobicContact CD1-CB 3.38Å; L94-L144 HydrophobicContact CD1-CD1 3.87Å; L94-L144 HydrophobicContact CD1-CG 4.26Å; L94-L144 HydrophobicContact CG-CB 4.35Å; G97-L144 CarbonylContact O-C 3.57Å; G97-L144 VanDerWaalsContact O-CA 3.24Å; G97-L144 WeakPolarHBondContact O-CA 3.32Å; G97-L144 WeakPolarHBondContact O-CD2 3.33Å; D98-L144 HydrophobicContact CB-CD2 3.91Å; L144-L151 CarbonylContact O-C 3.49Å; L144-L151 WeakPolarHBondContact O-CA 3.35Å; L144-K152 PolarHBondContact N-O 3.4Å; L144-K152 PolarHBondContact O-N 2.8Å; L144-T154 HydrophobicContact CD1-CG2 3.9Å; L144-T154 HydrophobicContact CG-CG2 3.84Å; L144-F729 HydrophobicContact CD2-CE1 4.19Å
145I96.1Very high93.1Very high0 Ų022.3 Ų22.30%011%0.114CC..EExtended strand (participates in β ladder)trans-115.2127.6-177.4-54.4159.9000110.1L94 G96 G97 L102 H150 L151 F716L94-I145 CarbonylContact C-O 3.58Å; G96-I145 VanDerWaalsContact CA-O 3.3Å; G96-I145 WeakPolarHBondContact CA-O 3.36Å; G96-I145 PolarHBondContact N-O 2.98Å; G97-I145 PolarHBondContact O-N 3.04Å; L102-I145 HydrophobicContact CB-CD1 4.09Å; L102-I145 HydrophobicContact CD2-CD1 3.85Å; I145-H150 WeakPolarHBondContact CA-O 2.9Å; I145-L151 HydrophobicContact CG1-CD2 3.71Å; I145-F716 HydrophobicContact CD1-CD1 3.95Å; I145-F716 HydrophobicContact CD1-CE1 4.09Å; I145-F716 HydrophobicContact CG2-CD1 4Å; I145-F716 HydrophobicContact CG2-CE1 4.14Å
146D94.1Very high92.3Very high22 Ų2222.3 Ų22.312%0.11811%0.114CC..  trans-79.2178.6178.586-2.8000113.1L94 K148 G149 H150 P718L94-D146 HydrophobicContact CD2-CB 3.44Å; L94-D146 VanDerWaalsContact CD2-CB 3.44Å; D146-K148 PolarHBondContact O-N 2.62Å; D146-K148 WeakPolarHBondContact OD1-CA 3.4Å; D146-K148 WeakPolarHBondContact OD1-CB 3.1Å; D146-K148 PolarHBondContact OD1-N 3.44Å; D146-G149 PolarHBondContact O-N 2.75Å; D146-G149 PolarHBondContact OD1-N 3.02Å; D146-H150 PolarHBondContact N-O 2.71Å; D146-H150 PolarHBondContact OD1-N 3.42Å; D146-H150 IonicContact OD2-CD2 3.09Å; D146-P718 WeakPolarHBondContact O-CD 3.32Å; D146-P718 WeakPolarHBondContact O-CG 3.36Å
147S93.1Very high91Very high78 Ų7819.9 Ų19.955%0.54511%0.105SC..THydrogen-bonded Turntrans-66.4-17-179.556.60000114.7
148K94.1Very high89.5Confident114 Ų11419.8 Ų19.850%0.49610%0.104SC..THydrogen-bonded Turntrans-97.8-10.1177.9-64.3-177.1178.5-175.90112.5D146 D710 M714 I717D146-K148 PolarHBondContact O-N 2.62Å; D146-K148 WeakPolarHBondContact OD1-CA 3.4Å; D146-K148 WeakPolarHBondContact OD1-CB 3.1Å; D146-K148 PolarHBondContact OD1-N 3.44Å; K148-D710 IonicContact NZ-OD2 3.27Å; K148-D710 PolarHBondContact NZ-OD2 2.85Å; K148-M714 WeakPolarHBondContact O-CG 3.08Å; K148-I717 WeakPolarHBondContact O-CG1 3.21Å
149G95Very high87.8Confident0 Ų019.8 Ų19.80%011%0.105CC..SBendtrans101.81.3-18000000115.2Y117 D146 M714 F716Y117-G149 WeakPolarHBondContact CE1-O 3.2Å; Y117-G149 PolarHBondContact OH-O 2.72Å; D146-G149 PolarHBondContact O-N 2.75Å; D146-G149 PolarHBondContact OD1-N 3.02Å; G149-M714 WeakPolarHBondContact O-CE 3.44Å; G149-F716 WeakPolarHBondContact CA-O 3.49Å
150H96.6Very high86.2Confident12 Ų1219.4 Ų19.46%0.05610%0.104CC..  trans-77.5146178.9-64.1-69.7000111.8E120 I145 D146 D710E120-H150 IonicContact OE1-CE1 3.94Å; E120-H150 IonicContact OE1-CG 2.91Å; E120-H150 IonicContact OE1-ND1 3.12Å; E120-H150 PolarHBondContact OE1-ND1 2.81Å; I145-H150 WeakPolarHBondContact CA-O 2.9Å; D146-H150 PolarHBondContact N-O 2.71Å; D146-H150 PolarHBondContact OD1-N 3.42Å; D146-H150 IonicContact OD2-CD2 3.09Å; H150-D710 IonicContact CE1-OD1 3.91Å; H150-D710 IonicContact NE2-OD1 2.71Å
151L97.2Very high84.4Confident2 Ų221.1 Ų21.11%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-82.6143.5177.8-59.1-175.4000112.1Y73 L99 Y117 E120 I121 I143 L144 I145Y73-L151 WeakPolarHBondContact CD1-O 3.49Å; L99-L151 HydrophobicContact CD1-CD2 4.48Å; L99-L151 HydrophobicContact CD2-CD1 4.3Å; Y117-L151 VanDerWaalsContact CB-CD1 3.47Å; Y117-L151 HydrophobicContact CD1-CD1 3.48Å; Y117-L151 VanDerWaalsContact CD1-CD1 3.48Å; Y117-L151 HydrophobicContact CD1-CD2 4.01Å; Y117-L151 HydrophobicContact CD1-CG 3.46Å; Y117-L151 VanDerWaalsContact CD1-CG 3.46Å; Y117-L151 HydrophobicContact CD2-CD1 4.17Å; Y117-L151 HydrophobicContact CE1-CD1 4.19Å; Y117-L151 HydrophobicContact CE1-CD2 3.83Å; Y117-L151 HydrophobicContact CE1-CG 3.73Å; Y117-L151 HydrophobicContact CE2-CD2 4.46Å; Y117-L151 HydrophobicContact CG-CD1 3.45Å; Y117-L151 VanDerWaalsContact CG-CD1 3.45Å; Y117-L151 HydrophobicContact CG-CD2 4.38Å; Y117-L151 HydrophobicContact CG-CG 3.96Å; E120-L151 HydrophobicContact CB-CB 4.43Å; E120-L151 VanDerWaalsContact OE2-CB 3.28Å; E120-L151 WeakPolarHBondContact OE2-CB 3.48Å; E120-L151 WeakPolarHBondContact OE2-CG 3.4Å; E120-L151 PolarHBondContact OE2-N 2.68Å; I121-L151 HydrophobicContact CD1-CD1 4.03Å; I121-L151 HydrophobicContact CG1-CD1 4.02Å; I143-L151 HydrophobicContact CG2-CB 3.79Å; I143-L151 HydrophobicContact CG2-CD1 3.92Å; I143-L151 HydrophobicContact CG2-CD2 3.92Å; I143-L151 HydrophobicContact CG2-CG 4.08Å; L144-L151 CarbonylContact O-C 3.49Å; L144-L151 WeakPolarHBondContact O-CA 3.35Å; I145-L151 HydrophobicContact CG1-CD2 3.71Å
152K96.3Very high82.8Confident28 Ų2823.6 Ų23.612%0.12213%0.129CC..EExtended strand (participates in β ladder)trans-135.2129.3170-57.1-161.4-177.7-168.20111.8P72 Y73 V75 E92 L94 L144P72-K152 WeakPolarHBondContact O-CD 3.42Å; P72-K152 WeakPolarHBondContact O-CE 3.32Å; Y73-K152 CarbonylContact O-C 3.59Å; Y73-K152 WeakPolarHBondContact O-CA 3.41Å; V75-K152 HydrophobicContact CG2-CB 4.1Å; E92-K152 WeakPolarHBondContact OE1-CD 3.48Å; E92-K152 IonicContact OE1-NZ 3.43Å; E92-K152 PolarHBondContact OE1-NZ 3.48Å; E92-K152 IonicContact OE2-NZ 3.76Å; E92-K152 PolarHBondContact OE2-NZ 3.02Å; L94-K152 HydrophobicContact CD1-CB 3.8Å; L94-K152 HydrophobicContact CD1-CD 4.05Å; L94-K152 HydrophobicContact CD1-CG 4.19Å; L94-K152 HydrophobicContact CD2-CD 3.91Å; L94-K152 HydrophobicContact CD2-CG 4.43Å; L144-K152 PolarHBondContact N-O 3.4Å; L144-K152 PolarHBondContact O-N 2.8Å
153L95.4Very high81.1Confident2 Ų231.1 Ų31.11%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-71.1140.5175-57.6-168.9000111.4Y73 I74 V75 I121 A124 L125 L128 L138 I143 F156Y73-L153 PolarHBondContact O-N 2.89Å; I74-L153 HydrophobicContact CG1-CB 4.45Å; V75-L153 WeakPolarHBondContact CG2-O 3.23Å; V75-L153 PolarHBondContact N-O 3.09Å; I121-L153 HydrophobicContact CG2-CD2 4.44Å; A124-L153 HydrophobicContact CB-CD1 3.5Å; A124-L153 HydrophobicContact CB-CG 3.77Å; L125-L153 HydrophobicContact CD2-CD1 4.27Å; L128-L153 HydrophobicContact CD1-CD1 3.96Å; L138-L153 HydrophobicContact CD1-CD1 4.01Å; L138-L153 HydrophobicContact CD1-CD2 3.69Å; L138-L153 HydrophobicContact CD1-CG 4.49Å; I143-L153 HydrophobicContact CD1-CD2 4.18Å; I143-L153 HydrophobicContact CG1-CD2 3.7Å; I143-L153 HydrophobicContact CG2-CD2 4.49Å; L153-F156 HydrophobicContact CB-CZ 4.2Å
154T91.1Very high79.2Confident19 Ų1940.3 Ų40.312%0.11720%0.198CC..  trans-138.7177176.8-163.20000111.9H135 N142 L144H135-T154 PolarHBondContact NE2-O 3.42Å; H135-T154 VanDerWaalsContact NE2-O 3.14Å; N142-T154 WeakPolarHBondContact O-CG2 2.91Å; N142-T154 PolarHBondContact O-N 2.7Å; L144-T154 HydrophobicContact CD1-CG2 3.9Å; L144-T154 HydrophobicContact CG-CG2 3.84Å
155D80.5Confident77.7Confident31 Ų3144 Ų4417%0.16621%0.21CC..  trans60.460.9175-152.614.7000115.4K43 N142 G157K43-D155 IonicContact NZ-OD1 3.57Å; K43-D155 PolarHBondContact NZ-OD1 3.11Å; K43-D155 VanDerWaalsContact NZ-OD1 3.09Å; N142-D155 HydrophobicContact CB-CB 4.49Å; D155-G157 PolarHBondContact O-N 3.32Å
156F73.3Confident76.1Confident0 Ų047.2 Ų47.20%023%0.23CC..G310 helixtrans-73.819.6175.2-62.8-89.8000113.9E62 A65 L66 I74 L128 H135 L153 L158 S159E62-F156 HydrophobicContact CB-CB 4.37Å; E62-F156 HydrophobicContact CG-CB 4.22Å; A65-F156 HydrophobicContact CB-CB 4.06Å; A65-F156 HydrophobicContact CB-CD1 4.17Å; A65-F156 HydrophobicContact CB-CG 4.07Å; L66-F156 HydrophobicContact CD2-CD2 3.49Å; L66-F156 VanDerWaalsContact CD2-CD2 3.49Å; L66-F156 HydrophobicContact CD2-CE2 3.45Å; L66-F156 VanDerWaalsContact CD2-CE2 3.45Å; L66-F156 HydrophobicContact CG-CD2 3.81Å; L66-F156 HydrophobicContact CG-CE2 4.26Å; I74-F156 HydrophobicContact CD1-CZ 4.43Å; I74-F156 HydrophobicContact CG1-CZ 4.33Å; I74-F156 HydrophobicContact CG2-CE2 3.75Å; I74-F156 HydrophobicContact CG2-CZ 3.67Å; L128-F156 HydrophobicContact CD1-CE1 3.68Å; L128-F156 HydrophobicContact CD1-CZ 4.29Å; L128-F156 HydrophobicContact CD2-CD1 4.31Å; L128-F156 HydrophobicContact CD2-CE1 3.49Å; L128-F156 VanDerWaalsContact CD2-CE1 3.49Å; L128-F156 HydrophobicContact CD2-CZ 4.14Å; L128-F156 HydrophobicContact CG-CE1 4.23Å; H135-F156 AromaticContact CD2-CD1 3.79Å; H135-F156 AromaticContact CD2-CE1 3.57Å; L153-F156 HydrophobicContact CB-CZ 4.2Å; F156-L158 PolarHBondContact O-N 2.9Å; F156-S159 VanDerWaalsContact CA-OG 3.24Å; F156-S159 WeakPolarHBondContact CA-OG 3.31Å; F156-S159 WeakPolarHBondContact CB-OG 3.35Å; F156-S159 WeakPolarHBondContact CD1-OG 3.33Å; F156-S159 VanDerWaalsContact O-CB 3.29Å; F156-S159 WeakPolarHBondContact O-CB 3.45Å; F156-S159 PolarHBondContact O-N 2.88Å; F156-S159 PolarHBondContact O-OG 2.8Å
157G59.1Low74.9Confident1 Ų147 Ų471%0.0123%0.23CC..G310 helixtrans-64.3-21.3-176.100000113.9K58 D155K58-G157 WeakPolarHBondContact CB-O 3.41Å; K58-G157 WeakPolarHBondContact CD-O 3.23Å; K58-G157 WeakPolarHBondContact CG-O 3.44Å; D155-G157 PolarHBondContact O-N 3.32Å
158L58.5Low73.9Confident15 Ų1547.5 Ų47.58%0.07922%0.223CC..G310 helixtrans-101.6-0.5173.2-61.4-174.5000113.1K58 R136 D137 F156 L583K58-L158 HydrophobicContact CD-CD2 3.87Å; K58-L158 VanDerWaalsContact CE-CD2 3.45Å; K58-L158 VanDerWaalsContact NZ-CD2 3.29Å; R136-L158 HydrophobicContact CB-CB 4.44Å; R136-L158 VanDerWaalsContact CZ-O 3.23Å; R136-L158 PolarHBondContact NE-O 3.39Å; R136-L158 PolarHBondContact NH2-O 3.26Å; D137-L158 HydrophobicContact CB-CB 4.17Å; D137-L158 HydrophobicContact CB-CD1 3.66Å; D137-L158 HydrophobicContact CB-CG 4.22Å; F156-L158 PolarHBondContact O-N 2.9Å; L158-L583 HydrophobicContact CD1-CB 3.94Å; L158-L583 HydrophobicContact CD1-CD2 4.43Å; L158-L583 HydrophobicContact CD2-CD1 4.37Å; L158-L583 HydrophobicContact CD2-CD2 3.7Å; L158-L583 HydrophobicContact CD2-CG 4.42Å
159S58Low72.7Confident3 Ų344.9 Ų44.92%0.02122%0.218CC..  trans-70.1145.7-173-54.90000112.7I134 H135 R136 F156I134-S159 CarbonylContact O-C 3.09Å; I134-S159 WeakPolarHBondContact O-CA 3.39Å; I134-S159 WeakPolarHBondContact O-CB 3.41Å; H135-S159 WeakPolarHBondContact CA-OG 3.43Å; H135-S159 WeakPolarHBondContact O-CA 3.38Å; H135-S159 PolarHBondContact O-N 3.23Å; H135-S159 PolarHBondContact O-OG 3.28Å; R136-S159 VanDerWaalsContact NH2-C 3.35Å; R136-S159 PolarHBondContact NH2-O 2.72Å; F156-S159 VanDerWaalsContact CA-OG 3.24Å; F156-S159 WeakPolarHBondContact CA-OG 3.31Å; F156-S159 WeakPolarHBondContact CB-OG 3.35Å; F156-S159 WeakPolarHBondContact CD1-OG 3.33Å; F156-S159 VanDerWaalsContact O-CB 3.29Å; F156-S159 WeakPolarHBondContact O-CB 3.45Å; F156-S159 PolarHBondContact O-N 2.88Å; F156-S159 PolarHBondContact O-OG 2.8Å
160T60Low71.4Confident18 Ų1848.8 Ų48.811%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-96.9140.7168175.40000108.9I133 I134 R136I133-T160 VanDerWaalsContact CA-O 3.32Å; I133-T160 WeakPolarHBondContact CA-O 3.45Å; I134-T160 HydrophobicContact CB-CG2 3.72Å; I134-T160 HydrophobicContact CD1-CG2 3.87Å; I134-T160 HydrophobicContact CG1-CG2 4.04Å; I134-T160 PolarHBondContact N-O 3.09Å; I134-T160 VanDerWaalsContact N-O 3.15Å; I134-T160 PolarHBondContact O-N 2.88Å; I134-T160 VanDerWaalsContact O-N 3.12Å; R136-T160 VanDerWaalsContact NH2-N 3.17Å
161I58.4Low70.3Confident36 Ų3650 Ų5019%0.18525%0.252CS..EExtended strand (participates in β ladder)trans-115.7120.2169.6-56.2178000105.9C61 N64 A65 I133 W163C61-I161 HydrophobicContact CB-CD1 4.49Å; C61-I161 WeakPolarHBondContact O-CD1 3.3Å; N64-I161 HydrophobicContact CB-CD1 3.46Å; N64-I161 VanDerWaalsContact CB-CD1 3.46Å; A65-I161 HydrophobicContact CB-CD1 4.22Å; I133-I161 HydrophobicContact CG1-CG1 4.38Å; I161-W163 HydrophobicContact CG2-CB 4.42Å; I161-W163 PolarHBondContact O-N 3.22Å
162T57.4Low69.1Low84 Ų8449.9 Ų49.952%0.51525%0.251SS..SBendtrans-65.2-19.5-177.943.90000113G132G132-T162 VanDerWaalsContact CA-OG1 3.3Å; G132-T162 WeakPolarHBondContact CA-OG1 3.47Å; G132-T162 PolarHBondContact O-N 3.3Å; G132-T162 PolarHBondContact O-OG1 2.83Å
163W56Low67.5Low163 Ų16352.5 Ų52.562%0.61727%0.266SS*.  trans-101115.2-175.2-59.327000109.8I161 R165I161-W163 HydrophobicContact CG2-CB 4.42Å; I161-W163 PolarHBondContact O-N 3.22Å; W163-R165 VanDerWaalsContact C-N 3.35Å; W163-R165 PolarHBondContact O-N 3.34Å
164K56.9Low65.6Low193 Ų19357.9 Ų57.984%0.83930%0.295SS*.  trans-91.318-175.5-66.8-171.7173.2-169.40115
165R64.4Low63.8Low103 Ų10357 Ų5739%0.38929%0.289SS..SBendtrans-92.3147.4179.166.7173.6-177.277.1-4111.1W163 D171W163-R165 VanDerWaalsContact C-N 3.35Å; W163-R165 PolarHBondContact O-N 3.34Å; R165-D171 IonicContact CZ-OD1 2.77Å; R165-D171 IonicContact CZ-OD2 2.8Å; R165-D171 IonicContact NH1-OD1 2.72Å; R165-D171 IonicContact NH1-OD2 3.72Å; R165-D171 PolarHBondContact NH1-OD2 3.24Å; R165-D171 IonicContact NH2-OD1 3.76Å; R165-D171 PolarHBondContact NH2-OD1 2.9Å; R165-D171 IonicContact NH2-OD2 3.8Å; R165-D171 PolarHBondContact NH2-OD2 3.03Å
166P62.1Low62.4Low67 Ų6756.5 Ų56.544%0.43529%0.288SS..PPolyproline II helixtrans-60.1143.7172.223.7-31.6000110.7Q168P166-Q168 PolarHBondContact O-N 3.35Å; P166-Q168 PolarHBondContact O-NE2 2.91Å; P166-Q168 VanDerWaalsContact O-NE2 3.16Å
167L70.5Confident61Low19 Ų1958 Ų5810%0.09930%0.298CS..PPolyproline II helixtrans-56.8130.7176.6-74.9179000110.3N64 A67 V68N64-L167 HydrophobicContact CB-CD1 4.27Å; N64-L167 HydrophobicContact CB-CD2 4.45Å; N64-L167 HydrophobicContact CB-CG 4.34Å; N64-L167 VanDerWaalsContact OD1-CD1 3.25Å; N64-L167 WeakPolarHBondContact OD1-CD1 3.18Å; N64-L167 WeakPolarHBondContact OD1-CG 3.43Å; A67-L167 HydrophobicContact CB-CD1 3.79Å; V68-L167 HydrophobicContact CG1-CD2 3.37Å
168Q70.2Confident60Low88 Ų8860.7 Ų60.741%0.41131%0.314SS..PPolyproline II helixtrans-102.5152.6173.6-60.4-56.6-53.600109.6P166 S170 D171P166-Q168 PolarHBondContact O-N 3.35Å; P166-Q168 PolarHBondContact O-NE2 2.91Å; P166-Q168 VanDerWaalsContact O-NE2 3.16Å; Q168-S170 PolarHBondContact O-N 3.29Å; Q168-S170 VanDerWaalsContact O-N 3.13Å; Q168-D171 PolarHBondContact N-OD2 2.86Å; Q168-D171 WeakPolarHBondContact O-CB 3.44Å; Q168-D171 PolarHBondContact O-N 2.95Å
169P69.6Low59.2Low59 Ų5967.6 Ų67.638%0.38336%0.357SS..Hα-helixtrans-52.4-35.2175-27.134.3000113.5D171 V172 L173 T196P169-D171 PolarHBondContact O-N 2.71Å; P169-V172 PolarHBondContact O-N 2.86Å; P169-L173 VanDerWaalsContact O-CG 3.24Å; P169-L173 WeakPolarHBondContact O-CG 3.4Å; P169-L173 PolarHBondContact O-N 3.39Å; P169-T196 HydrophobicContact CB-CG2 4.41Å; P169-T196 HydrophobicContact CG-CG2 4.1Å
170S68.8Low58.3Low82 Ų8271.6 Ų71.657%0.57339%0.385SS*.Hα-helixtrans-55.4-3117554.80000114Q168 V172Q168-S170 PolarHBondContact O-N 3.29Å; Q168-S170 VanDerWaalsContact O-N 3.13Å; S170-V172 VanDerWaalsContact C-N 3.27Å; S170-V172 PolarHBondContact O-N 2.64Å
171D72.3Confident57.3Low37 Ų3775.3 Ų75.320%0.19840%0.404CS..Hα-helixtrans-75.3-19.7-179-52.3-41.2000111.9V68 R165 Q168 P169 T175V68-D171 HydrophobicContact CG1-CB 4.06Å; R165-D171 IonicContact CZ-OD1 2.77Å; R165-D171 IonicContact CZ-OD2 2.8Å; R165-D171 IonicContact NH1-OD1 2.72Å; R165-D171 IonicContact NH1-OD2 3.72Å; R165-D171 PolarHBondContact NH1-OD2 3.24Å; R165-D171 IonicContact NH2-OD1 3.76Å; R165-D171 PolarHBondContact NH2-OD1 2.9Å; R165-D171 IonicContact NH2-OD2 3.8Å; R165-D171 PolarHBondContact NH2-OD2 3.03Å; Q168-D171 PolarHBondContact N-OD2 2.86Å; Q168-D171 WeakPolarHBondContact O-CB 3.44Å; Q168-D171 PolarHBondContact O-N 2.95Å; P169-D171 PolarHBondContact O-N 2.71Å; D171-T175 PolarHBondContact O-OG1 3.09Å
172V73.3Confident56.4Low0 Ų076.6 Ų76.60%041%0.414CS..Hα-helixtrans-116.9-16.6-168.9-166.70000113P169 S170 N174 T175 R187 L192 L195 T196P169-V172 PolarHBondContact O-N 2.86Å; S170-V172 VanDerWaalsContact C-N 3.27Å; S170-V172 PolarHBondContact O-N 2.64Å; V172-N174 PolarHBondContact O-N 3.04Å; V172-T175 VanDerWaalsContact C-OG1 3.26Å; V172-T175 VanDerWaalsContact CA-OG1 3.32Å; V172-T175 WeakPolarHBondContact CA-OG1 3.33Å; V172-T175 VanDerWaalsContact O-CB 3.3Å; V172-T175 WeakPolarHBondContact O-CB 3.28Å; V172-T175 PolarHBondContact O-N 3.38Å; V172-T175 PolarHBondContact O-OG1 3.34Å; V172-R187 HydrophobicContact CG1-CG 4.43Å; V172-R187 WeakPolarHBondContact O-CG 2.77Å; V172-L192 HydrophobicContact CB-CD2 3.91Å; V172-L192 HydrophobicContact CG1-CD2 3.99Å; V172-L195 HydrophobicContact CG1-CB 4.32Å; V172-L195 HydrophobicContact CG1-CD1 3.62Å; V172-T196 HydrophobicContact CG2-CG2 4.3Å
173L60.9Low55.7Low82 Ų8280.2 Ų80.243%0.42943%0.429SS..THydrogen-bonded Turntrans-59.3-39.1-173.6-88.5164.7000114.3P169 L192P169-L173 VanDerWaalsContact O-CG 3.24Å; P169-L173 WeakPolarHBondContact O-CG 3.4Å; P169-L173 PolarHBondContact O-N 3.39Å; L173-L192 HydrophobicContact CD2-CD1 3.46Å; L173-L192 VanDerWaalsContact CD2-CD1 3.46Å; L173-L192 HydrophobicContact CD2-CD2 4.18Å; L173-L192 HydrophobicContact CD2-CG 4.48Å; L173-L192 HydrophobicContact CG-CD1 4.3Å; L173-L192 HydrophobicContact CG-CD2 4.18Å
174N56.4Low55.1Low115 Ų11580.3 Ų80.362%0.61544%0.437SS*.THydrogen-bonded Turntrans-105.735.8-175.9-66-27.2000111.9K70 V172K70-N174 WeakPolarHBondContact CD-O 3.33Å; K70-N174 WeakPolarHBondContact CE-O 3.38Å; K70-N174 PolarHBondContact NZ-O 3.38Å; V172-N174 PolarHBondContact O-N 3.04Å
175T54Low54.7Low0 Ų074.9 Ų74.90%041%0.412CS..  trans-112.786.1-171.1-43.90000108.9S69 K70 D171 V172 R187S69-T175 WeakPolarHBondContact O-CG2 3.29Å; K70-T175 WeakPolarHBondContact CE-OG1 3.28Å; K70-T175 HydrophobicContact CG-CG2 3.62Å; D171-T175 PolarHBondContact O-OG1 3.09Å; V172-T175 VanDerWaalsContact C-OG1 3.26Å; V172-T175 VanDerWaalsContact CA-OG1 3.32Å; V172-T175 WeakPolarHBondContact CA-OG1 3.33Å; V172-T175 VanDerWaalsContact O-CB 3.3Å; V172-T175 WeakPolarHBondContact O-CB 3.28Å; V172-T175 PolarHBondContact O-N 3.38Å; V172-T175 PolarHBondContact O-OG1 3.34Å; T175-R187 PolarHBondContact O-NE 2.78Å
176P50.1Low54.4Low22 Ų2276.6 Ų76.614%0.14342%0.419CS..  -154.9174.2116.243.7-28000115.2Y185P176-Y185 HydrophobicContact CB-CD1 3.49Å; P176-Y185 VanDerWaalsContact CB-CD1 3.49Å; P176-Y185 HydrophobicContact CB-CE1 4.26Å; P176-Y185 HydrophobicContact CB-CG 4.28Å; P176-Y185 WeakPolarHBondContact CD-O 3.36Å; P176-Y185 VanDerWaalsContact CG-C 3.43Å; P176-Y185 HydrophobicContact CG-CD1 3.25Å; P176-Y185 HydrophobicContact CG-CE1 4.4Å; P176-Y185 HydrophobicContact CG-CG 3.57Å; P176-Y185 WeakPolarHBondContact CG-O 3.34Å
177S43.3Very low55Low30 Ų3074.1 Ų74.121%0.2140%0.401CS..  trans-99.284.6-160.1-51.30000113.4K70 C71K70-S177 WeakPolarHBondContact CA-OG 3.45Å; K70-S177 WeakPolarHBondContact O-CB 3.39Å; K70-S177 PolarHBondContact O-OG 2.81Å; C71-S177 PolarHBondContact N-OG 2.79Å; C71-S177 PolarHBondContact O-OG 2.84Å
178V38.9Very low55.4Low58 Ų5876.3 Ų76.335%0.35242%0.415SS..  trans-144.8132.7154.5-165.70000109.3S180 Y185V178-S180 WeakPolarHBondContact CB-O 3.47Å; V178-S180 WeakPolarHBondContact CG1-O 3.14Å; V178-S180 PolarHBondContact O-N 2.75Å; V178-Y185 HydrophobicContact CB-CD2 4.46Å; V178-Y185 HydrophobicContact CB-CE2 4.16Å; V178-Y185 HydrophobicContact CG2-CD2 3.83Å; V178-Y185 HydrophobicContact CG2-CE1 3.93Å; V178-Y185 HydrophobicContact CG2-CE2 3.18Å; V178-Y185 HydrophobicContact CG2-CG 4.46Å; V178-Y185 WeakPolarHBondContact CG2-OH 2.87Å
179V41.8Very low55.7Low161 Ų16176.9 Ų76.998%0.97643%0.426SS*.SBendtrans-61.1-11176.3-179.30000112.1
180S38.4Very low56.2Low86 Ų8675 Ų7560%0.60142%0.419SS*.SBendtrans-134.5118.3163.168.30000109.7V178 P182V178-S180 WeakPolarHBondContact CB-O 3.47Å; V178-S180 WeakPolarHBondContact CG1-O 3.14Å; V178-S180 PolarHBondContact O-N 2.75Å; S180-P182 WeakPolarHBondContact O-CD 3.47Å
181L40.5Very low57Low97 Ų9772 Ų7251%0.50840%0.395SS..  trans-79.1105.9-179.9-85135.3000111.9Y186L181-Y186 HydrophobicContact CD2-CE2 4.04Å
182P39.3Very low57.4Low62 Ų6271.3 Ų71.340%0.40339%0.391SS..  trans-69.1145.1144.228.3-30.3000108.4S180 Q184 Y185S180-P182 WeakPolarHBondContact O-CD 3.47Å; P182-Q184 PolarHBondContact O-N 2.96Å; P182-Y185 HydrophobicContact CG-CD2 3.73Å; P182-Y185 HydrophobicContact CG-CE2 3.65Å; P182-Y185 WeakPolarHBondContact O-CD2 3.44Å; P182-Y185 PolarHBondContact O-N 2.75Å
183L42.8Very low57.8Low160 Ų16075.6 Ų75.684%0.83841%0.413SS*.G310 helixtrans-46.9-11.6-177.6-92.4118.6000117.1Y185L183-Y185 PolarHBondContact O-N 3.35Å; L183-Y185 VanDerWaalsContact O-N 3.13Å
184Q43.7Very low59.2Low165 Ų16572.1 Ų72.177%0.77140%0.396SS*.G310 helixtrans-71.9-2.4-176.2-56.2179.414.600113.9P182P182-Q184 PolarHBondContact O-N 2.96Å
185Y48Very low60.6Low80 Ų8066.7 Ų66.731%0.31437%0.367SS..G310 helixtrans-115.423.6-167.9-81.2-53.2000112P176 V178 P182 L183P176-Y185 HydrophobicContact CB-CD1 3.49Å; P176-Y185 VanDerWaalsContact CB-CD1 3.49Å; P176-Y185 HydrophobicContact CB-CE1 4.26Å; P176-Y185 HydrophobicContact CB-CG 4.28Å; P176-Y185 WeakPolarHBondContact CD-O 3.36Å; P176-Y185 VanDerWaalsContact CG-C 3.43Å; P176-Y185 HydrophobicContact CG-CD1 3.25Å; P176-Y185 HydrophobicContact CG-CE1 4.4Å; P176-Y185 HydrophobicContact CG-CG 3.57Å; P176-Y185 WeakPolarHBondContact CG-O 3.34Å; V178-Y185 HydrophobicContact CB-CD2 4.46Å; V178-Y185 HydrophobicContact CB-CE2 4.16Å; V178-Y185 HydrophobicContact CG2-CD2 3.83Å; V178-Y185 HydrophobicContact CG2-CE1 3.93Å; V178-Y185 HydrophobicContact CG2-CE2 3.18Å; V178-Y185 HydrophobicContact CG2-CG 4.46Å; V178-Y185 WeakPolarHBondContact CG2-OH 2.87Å; P182-Y185 HydrophobicContact CG-CD2 3.73Å; P182-Y185 HydrophobicContact CG-CE2 3.65Å; P182-Y185 WeakPolarHBondContact O-CD2 3.44Å; P182-Y185 PolarHBondContact O-N 2.75Å; L183-Y185 PolarHBondContact O-N 3.35Å; L183-Y185 VanDerWaalsContact O-N 3.13Å
186Y58Low61.9Low138 Ų13868.2 Ų68.254%0.54138%0.376SS..SBendtrans-101.6133.9161.8-72.4-84.3000108.5L181 T188L181-Y186 HydrophobicContact CD2-CE2 4.04Å; Y186-T188 PolarHBondContact O-N 3.33Å
187R73.5Confident63.5Low16 Ų1670.2 Ų70.26%0.0639%0.388CS..PPolyproline II helixtrans-63.2125.5172.4-63.6-62-167.8155.29.4108.4H76 L77 Y78 V172 T175 Q191 L192H76-R187 PolarHBondContact CE1-NH2 3.06Å; H76-R187 PolarHBondContact NE2-NH1 3.33Å; H76-R187 VanDerWaalsContact NE2-NH1 3.12Å; H76-R187 PolarHBondContact NE2-NH2 2.71Å; L77-R187 PolarHBondContact O-NH1 3.4Å; L77-R187 PolarHBondContact O-NH2 2.94Å; Y78-R187 PolarHBondContact O-NH1 3.03Å; V172-R187 HydrophobicContact CG1-CG 4.43Å; V172-R187 WeakPolarHBondContact O-CG 2.77Å; T175-R187 PolarHBondContact O-NE 2.78Å; R187-Q191 HydrophobicContact CB-CB 4.4Å; R187-L192 HydrophobicContact CB-CD1 4.3Å; R187-L192 HydrophobicContact CB-CD2 3.85Å; R187-L192 HydrophobicContact CB-CG 3.73Å; R187-L192 HydrophobicContact CG-CD2 4.28Å
188T78.8Confident65.4Low64 Ų6475.6 Ų75.639%0.39341%0.41SS..PPolyproline II helixtrans-64.1152.1170.363.90000109.7Y186 G190 Q191 L192Y186-T188 PolarHBondContact O-N 3.33Å; T188-G190 PolarHBondContact O-N 3.36Å; T188-G190 VanDerWaalsContact O-N 3.13Å; T188-Q191 WeakPolarHBondContact O-CA 2.88Å; T188-Q191 WeakPolarHBondContact O-CB 3.13Å; T188-Q191 PolarHBondContact O-N 3.41Å; T188-Q191 VanDerWaalsContact OG1-CG 3.25Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.13Å; T188-Q191 PolarHBondContact OG1-N 3.41Å; T188-Q191 PolarHBondContact OG1-OE1 3.01Å; T188-L192 PolarHBondContact O-N 2.72Å
189P77.5Confident67.5Low100 Ų10073.8 Ų73.865%0.64940%0.399SS*.Hα-helixtrans-51.8-38.2175.7-29.435.8000113.3L192 I193P189-L192 PolarHBondContact O-N 3.2Å; P189-I193 WeakPolarHBondContact O-CG1 3.3Å; P189-I193 PolarHBondContact O-N 3.12Å
190G79.5Confident69.4Low21 Ų2167.8 Ų67.822%0.21637%0.366CS..Hα-helixtrans-62.9-41.2174.900000113.4P8 T188 S194P8-G190 VanDerWaalsContact CG-O 3.31Å; P8-G190 WeakPolarHBondContact CG-O 3.17Å; T188-G190 PolarHBondContact O-N 3.36Å; T188-G190 VanDerWaalsContact O-N 3.13Å; G190-S194 WeakPolarHBondContact O-CB 3.3Å; G190-S194 PolarHBondContact O-N 3.15Å
191Q85.1Confident71.2Confident17 Ų1765 Ų658%0.07934%0.343CS..Hα-helixtrans-62.4-47.2174.6-73.5169-36.300111Y78 Y79 R187 T188 I193 S194 L195Y78-Q191 WeakPolarHBondContact O-CG 3.4Å; Y79-Q191 HydrophobicContact CD1-CB 4.41Å; Y79-Q191 HydrophobicContact CD1-CG 3.67Å; Y79-Q191 HydrophobicContact CE1-CB 4.21Å; Y79-Q191 HydrophobicContact CE1-CG 3.18Å; Y79-Q191 HydrophobicContact CE2-CG 4.11Å; Y79-Q191 HydrophobicContact CG-CG 4.32Å; Y79-Q191 VanDerWaalsContact CZ-CG 3.42Å; R187-Q191 HydrophobicContact CB-CB 4.4Å; T188-Q191 WeakPolarHBondContact O-CA 2.88Å; T188-Q191 WeakPolarHBondContact O-CB 3.13Å; T188-Q191 PolarHBondContact O-N 3.41Å; T188-Q191 VanDerWaalsContact OG1-CG 3.25Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.13Å; T188-Q191 PolarHBondContact OG1-N 3.41Å; T188-Q191 PolarHBondContact OG1-OE1 3.01Å; Q191-I193 PolarHBondContact O-N 3.02Å; Q191-S194 PolarHBondContact O-N 3.5Å; Q191-S194 VanDerWaalsContact O-N 3.15Å; Q191-S194 PolarHBondContact O-OG 3.06Å; Q191-L195 VanDerWaalsContact O-CG 3.28Å; Q191-L195 WeakPolarHBondContact O-CG 3.37Å; Q191-L195 PolarHBondContact O-N 3.35Å
192L82.1Confident72.1Confident23 Ų2364.7 Ų64.712%0.1235%0.345CS..Hα-helixtrans-58.4-46179.2-71.8165.1000112.3V172 L173 R187 T188 P189 S194 L195 T196V172-L192 HydrophobicContact CB-CD2 3.91Å; V172-L192 HydrophobicContact CG1-CD2 3.99Å; L173-L192 HydrophobicContact CD2-CD1 3.46Å; L173-L192 VanDerWaalsContact CD2-CD1 3.46Å; L173-L192 HydrophobicContact CD2-CD2 4.18Å; L173-L192 HydrophobicContact CD2-CG 4.48Å; L173-L192 HydrophobicContact CG-CD1 4.3Å; L173-L192 HydrophobicContact CG-CD2 4.18Å; R187-L192 HydrophobicContact CB-CD1 4.3Å; R187-L192 HydrophobicContact CB-CD2 3.85Å; R187-L192 HydrophobicContact CB-CG 3.73Å; R187-L192 HydrophobicContact CG-CD2 4.28Å; T188-L192 PolarHBondContact O-N 2.72Å; P189-L192 PolarHBondContact O-N 3.2Å; L192-S194 VanDerWaalsContact C-N 3.34Å; L192-S194 PolarHBondContact O-N 3.01Å; L192-L195 PolarHBondContact O-N 3.39Å; L192-T196 WeakPolarHBondContact O-CB 3.49Å; L192-T196 WeakPolarHBondContact O-CG2 3.21Å; L192-T196 PolarHBondContact O-N 3.41Å; L192-T196 PolarHBondContact O-OG1 2.69Å
193I82.2Confident72.6Confident90 Ų9069.3 Ų69.346%0.46237%0.366SS..Hα-helixtrans-61.3-46.6176.7-68.4166000109.8P189 Q191 L195 T196 T197P189-I193 WeakPolarHBondContact O-CG1 3.3Å; P189-I193 PolarHBondContact O-N 3.12Å; Q191-I193 PolarHBondContact O-N 3.02Å; I193-L195 VanDerWaalsContact C-N 3.3Å; I193-L195 PolarHBondContact O-N 3.13Å; I193-T196 PolarHBondContact O-N 2.91Å; I193-T197 WeakPolarHBondContact O-CB 3.22Å; I193-T197 PolarHBondContact O-N 3.39Å; I193-T197 PolarHBondContact O-OG1 3.19Å
194S88.6Confident72.2Confident10 Ų1066.3 Ų66.37%0.0736%0.355CS..Hα-helixtrans-60.7-38.8-179.6790000112.8Y79 C80 G190 Q191 L192Y79-S194 WeakPolarHBondContact CA-OG 3.28Å; C80-S194 PolarHBondContact N-OG 3.32Å; C80-S194 CarbonylContact O-C 3.56Å; C80-S194 WeakPolarHBondContact O-CB 3.43Å; G190-S194 WeakPolarHBondContact O-CB 3.3Å; G190-S194 PolarHBondContact O-N 3.15Å; Q191-S194 PolarHBondContact O-N 3.5Å; Q191-S194 VanDerWaalsContact O-N 3.15Å; Q191-S194 PolarHBondContact O-OG 3.06Å; L192-S194 VanDerWaalsContact C-N 3.34Å; L192-S194 PolarHBondContact O-N 3.01Å
195L85.5Confident71.4Confident0 Ų063.7 Ų63.70%035%0.352CS..Hα-helixtrans-79.5-30.4-176.4-65.8172.4000113.2A67 L77 C80 V172 Q191 L192 I193A67-L195 HydrophobicContact CB-CB 4.4Å; A67-L195 HydrophobicContact CB-CD2 4.22Å; L77-L195 HydrophobicContact CD2-CD2 3.59Å; L77-L195 HydrophobicContact CG-CD2 3.79Å; C80-L195 HydrophobicContact CB-CD2 4.07Å; V172-L195 HydrophobicContact CG1-CB 4.32Å; V172-L195 HydrophobicContact CG1-CD1 3.62Å; Q191-L195 VanDerWaalsContact O-CG 3.28Å; Q191-L195 WeakPolarHBondContact O-CG 3.37Å; Q191-L195 PolarHBondContact O-N 3.35Å; L192-L195 PolarHBondContact O-N 3.39Å; I193-L195 VanDerWaalsContact C-N 3.3Å; I193-L195 PolarHBondContact O-N 3.13Å
196T82.9Confident70.8Confident32 Ų3265.8 Ų65.820%0.19637%0.368CS..Hα-helixtrans-92.9-15-177.755.90000113.8P169 V172 L192 I193 E198P169-T196 HydrophobicContact CB-CG2 4.41Å; P169-T196 HydrophobicContact CG-CG2 4.1Å; V172-T196 HydrophobicContact CG2-CG2 4.3Å; L192-T196 WeakPolarHBondContact O-CB 3.49Å; L192-T196 WeakPolarHBondContact O-CG2 3.21Å; L192-T196 PolarHBondContact O-N 3.41Å; L192-T196 PolarHBondContact O-OG1 2.69Å; I193-T196 PolarHBondContact O-N 2.91Å; T196-E198 PolarHBondContact O-N 3.47Å
197T83.5Confident69.3Low65 Ų6565 Ų6540%0.39937%0.371SS..SBendtrans-65.4134.1177.1-61.10000111.1R63 I193R63-T197 PolarHBondContact NH1-O 2.75Å; I193-T197 WeakPolarHBondContact O-CB 3.22Å; I193-T197 PolarHBondContact O-N 3.39Å; I193-T197 PolarHBondContact O-OG1 3.19Å
198E82.7Confident67.3Low142 Ų14271.6 Ų71.666%0.66440%0.402SS*.  trans-64.3141.6175-70.9-171.9170.700111.9Q82 T196 A200Q82-E198 PolarHBondContact NE2-O 2.63Å; T196-E198 PolarHBondContact O-N 3.47Å; E198-A200 PolarHBondContact O-N 2.99Å
199L82.9Confident65Low21 Ų2175.9 Ų75.911%0.1142%0.416CS..  trans-75.3116176.1-66.2174.4000108.9V59 I87 F201V59-L199 HydrophobicContact CG1-CD1 4.31Å; I87-L199 HydrophobicContact CD1-CB 4.17Å; I87-L199 HydrophobicContact CD1-CD1 3.88Å; I87-L199 HydrophobicContact CD1-CD2 3.74Å; I87-L199 HydrophobicContact CD1-CG 4.11Å; I87-L199 HydrophobicContact CG1-CD2 4.22Å; I87-L199 HydrophobicContact CG2-CD2 4.04Å; L199-F201 HydrophobicContact CB-CD2 4.04Å; L199-F201 HydrophobicContact CB-CE2 3.37Å; L199-F201 HydrophobicContact CB-CZ 4.08Å; L199-F201 HydrophobicContact CD1-CE2 4.14Å; L199-F201 HydrophobicContact CD1-CZ 4.27Å; L199-F201 HydrophobicContact CG-CE2 4.39Å; L199-F201 VanDerWaalsContact O-CD2 3.32Å; L199-F201 WeakPolarHBondContact O-CD2 3.39Å; L199-F201 PolarHBondContact O-N 2.75Å
200A82.5Confident62.7Low35 Ų3575.7 Ų75.729%0.28941%0.413SS..  trans-83.7112-179.500000109.9K47 E198K47-A200 VanDerWaalsContact CE-O 3.25Å; K47-A200 WeakPolarHBondContact CE-O 3.23Å; K47-A200 PolarHBondContact NZ-O 2.8Å; E198-A200 PolarHBondContact O-N 2.99Å
201F76.7Confident60.5Low27 Ų2781 Ų8112%0.11844%0.437CS..  trans-105.3-3.7177-70.2-84.7000113.6K47 M50 R51 V56 I87 L199K47-F201 HydrophobicContact CG-CD1 4.39Å; K47-F201 HydrophobicContact CG-CE1 4.4Å; M50-F201 HydrophobicContact CB-CE1 4.25Å; M50-F201 HydrophobicContact CE-CE1 3.92Å; M50-F201 HydrophobicContact SD-CE1 3.9Å; M50-F201 HydrophobicContact SD-CZ 4.22Å; R51-F201 PolarHBondContact NH1-O 2.63Å; V56-F201 HydrophobicContact CB-CE1 4.4Å; V56-F201 HydrophobicContact CB-CE2 4.44Å; V56-F201 HydrophobicContact CB-CZ 4.28Å; V56-F201 HydrophobicContact CG1-CD1 4.38Å; V56-F201 HydrophobicContact CG1-CD2 3.66Å; V56-F201 HydrophobicContact CG1-CE1 4.23Å; V56-F201 HydrophobicContact CG1-CE2 3.48Å; V56-F201 VanDerWaalsContact CG1-CE2 3.48Å; V56-F201 HydrophobicContact CG1-CG 4.11Å; V56-F201 HydrophobicContact CG1-CZ 3.78Å; V56-F201 HydrophobicContact CG2-CD1 3.77Å; V56-F201 HydrophobicContact CG2-CE1 3.76Å; V56-F201 HydrophobicContact CG2-CG 4.16Å; V56-F201 HydrophobicContact CG2-CZ 4.14Å; I87-F201 HydrophobicContact CD1-CE1 3.77Å; I87-F201 HydrophobicContact CD1-CE2 4.23Å; I87-F201 HydrophobicContact CD1-CZ 3.42Å; I87-F201 VanDerWaalsContact CD1-CZ 3.42Å; L199-F201 HydrophobicContact CB-CD2 4.04Å; L199-F201 HydrophobicContact CB-CE2 3.37Å; L199-F201 HydrophobicContact CB-CZ 4.08Å; L199-F201 HydrophobicContact CD1-CE2 4.14Å; L199-F201 HydrophobicContact CD1-CZ 4.27Å; L199-F201 HydrophobicContact CG-CE2 4.39Å; L199-F201 VanDerWaalsContact O-CD2 3.32Å; L199-F201 WeakPolarHBondContact O-CD2 3.39Å; L199-F201 PolarHBondContact O-N 2.75Å
202T58.9Low58Low90 Ų9084.4 Ų84.455%0.55246%0.458SS*.SBendtrans-94.2137.3179.251.30000111.4T204T202-T204 PolarHBondContact O-N 2.82Å; T202-T204 PolarHBondContact OG1-OG1 2.89Å; T202-T204 VanDerWaalsContact OG1-OG1 3.11Å
203D48.8Very low55.6Low159 Ų15986.4 Ų86.485%0.8548%0.478SS*.  trans-68.920.7177.4-61.5-45.6000114.2P205D203-P205 WeakPolarHBondContact O-CD 3.26Å
204T34Very low53.3Low97 Ų9788.4 Ų88.460%0.59549%0.489SS*.  trans-72.2120.1172.445.10000107.9T202 I206T202-T204 PolarHBondContact O-N 2.82Å; T202-T204 PolarHBondContact OG1-OG1 2.89Å; T202-T204 VanDerWaalsContact OG1-OG1 3.11Å; T204-I206 PolarHBondContact O-N 3.14Å; T204-I206 VanDerWaalsContact O-N 3.13Å
205P28.5Very low50.5Low110 Ų11095.3 Ų95.371%0.71452%0.518SS*.  trans-55.8127.3176.822.8-30.5000107.5D203 I207D203-P205 WeakPolarHBondContact O-CD 3.26Å; P205-I207 PolarHBondContact O-N 2.8Å
206I34.6Very low48Very low125 Ų125102.1 Ų102.164%0.64155%0.549SS*.  trans-6488.5169-58.9172.7000105.2T204 H208T204-I206 PolarHBondContact O-N 3.14Å; T204-I206 VanDerWaalsContact O-N 3.13Å; I206-H208 PolarHBondContact O-N 3.38Å; I206-H208 VanDerWaalsContact O-N 3.14Å
207I27.4Very low45.6Very low120 Ų120111.1 Ų111.162%0.61558%0.58SS**  trans-59.6118.3156-57.7176.2000102.9P205 K209P205-I207 PolarHBondContact O-N 2.8Å; I207-K209 HydrophobicContact CB-CG 4.42Å; I207-K209 HydrophobicContact CG2-CG 3.8Å; I207-K209 PolarHBondContact O-N 3.28Å
208H31.5Very low43Very low155 Ų155115 Ų11572%0.71860%0.597SS**  trans-5873.5163.6-82.8-82.7000108.9I206 T210I206-H208 PolarHBondContact O-N 3.38Å; I206-H208 VanDerWaalsContact O-N 3.14Å; H208-T210 PolarHBondContact O-N 3.48Å
209K28.8Very low40.4Very low154 Ų154114.9 Ų114.967%0.6760%0.6SS**THydrogen-bonded Turntrans-86.246.7163.1-81.9-169.7175.7-177.60108.4I207I207-K209 HydrophobicContact CB-CG 4.42Å; I207-K209 HydrophobicContact CG2-CG 3.8Å; I207-K209 PolarHBondContact O-N 3.28Å
210T30.5Very low37.7Very low96 Ų96119.9 Ų119.959%0.58963%0.632SS**THydrogen-bonded Turntrans-94.9-3.8168.141.40000112.6H208H208-T210 PolarHBondContact O-N 3.48Å
211D32.1Very low35Very low134 Ų134124 Ų12472%0.71766%0.659SS**SBendtrans-107.8-9.5179-85.3-39.7000116.1
212V32.7Very low32.8Very low87 Ų87133.9 Ų133.953%0.52770%0.695SS.*SBendtrans-111.3-35.2-175.1-174.50000113.1L214 K215V212-L214 PolarHBondContact O-N 3.42Å; V212-K215 PolarHBondContact O-N 2.72Å
213A32.6Very low31.4Very low65 Ų65136 Ų13654%0.53770%0.704SS.*THydrogen-bonded Turntrans-77.9-14.3-175.400000115.1
214L33.2Very low30.5Very low133 Ų133135.1 Ų135.170%0.69670%0.698SS**THydrogen-bonded Turntrans-94.9-14.7174.4-84164000113.3V212V212-L214 PolarHBondContact O-N 3.42Å
215K30.3Very low30.2Very low154 Ų154137.8 Ų137.867%0.6771%0.709SS**THydrogen-bonded Turntrans-90.2-32.5-179.8-126.1173.3-177.3176.30112.9V212V212-K215 PolarHBondContact O-N 2.72Å
216E33.7Very low30.2Very low143 Ų143137 Ų13767%0.66871%0.712SS**THydrogen-bonded Turntrans-79.4-17.7178.7-76.2-178.6155.400113.9
217R30.9Very low30Very low221 Ų221140 Ų14083%0.83472%0.72SS**THydrogen-bonded Turntrans-88.2-3.6176.5-82-177.2171.8173.3-0.8114.9
218L30.2Very low29.8Very low147 Ų147139.7 Ų139.777%0.7772%0.724SS**SBendtrans-116.54-179.2-78.8162.6000113.5
219L26.7Very low29.6Very low139 Ų139140.4 Ų140.473%0.72873%0.725SS**SBendtrans-134.941-174.7-79.6164.4000113.3
220T26.9Very low29.4Very low126 Ų126142.1 Ų142.177%0.77373%0.733SS**  trans-148.781.8164.9580000111.7
221S26.9Very low29Very low122 Ų122142.6 Ų142.685%0.85374%0.74SS**  trans-155.591.914966.80000109.9
222R29.7Very low29.1Very low235 Ų235141 Ų14189%0.88774%0.738SS**  trans-125.7114.3155.3-101.4-177170.2173.6-2.8106.4
223D29.3Very low28.7Very low135 Ų135145.7 Ų145.772%0.72275%0.754SS**  trans47.9114.2147.3-57.2-26.3000119.4
224D30.6Very low28.3Very low139 Ų139149.3 Ų149.374%0.74377%0.773SS**  159.8126.387.6-99.7-36.8000112.6
225N26.2Very low27.8Very low153 Ų153151.2 Ų151.282%0.81878%0.783SS**  trans22.3115.8147.9-69.1-50.5000121.2
226A30.3Very low27.7Very low93 Ų93149.7 Ų149.777%0.76979%0.792SS**  178.8116.5119.300000114.7
227K28.9Very low27.2Very low189 Ų189147.5 Ų147.582%0.82279%0.793SS**  58.8105.6128-66.6-180179.9177.40121.3
228T24.7Very low27Very low113 Ų113145.2 Ų145.269%0.69379%0.792SS**  51.8118.1124.559.90000119.7
229F26Very low26.6Very low171 Ų171147.9 Ų147.975%0.7580%0.797SS**  -177.7138.497.9-110.7-85.2000112.8
230F25.6Very low26.6Very low189 Ų189145.9 Ų145.983%0.82980%0.795SS**  trans85.2118.1168.5-65.8-73.8000120.9
231S22.4Very low26.5Very low106 Ų106149.8 Ų149.874%0.74180%0.797SS**  trans-140177.3176.949.40000106.3
232P32.9Very low26.4Very low102 Ų102153.7 Ų153.766%0.66280%0.799SS**  cis-137.1168.7-47.236.1-19.3000112.1
233E25.4Very low26.1Very low185 Ų185147 Ų14786%0.86478%0.784SS**SBendtrans172.896.2135.5-98.4168.6-171.600111.4
234C23.8Very low25.9Very low140 Ų140148.7 Ų148.795%0.94679%0.791SS**  trans171.784.8142.1-90.60000107.3
235L22.9Very low25.6Very low173 Ų173151.1 Ų151.191%0.90679%0.791SS**  trans-112.4107.6170.1-96.8155.1000107.3
236S26.9Very low25.5Very low122 Ų122151.1 Ų151.185%0.85379%0.792SS**  trans-122.9130.2146.357.80000107.6
237S25Very low25.3Very low98 Ų98151.4 Ų151.469%0.68578%0.783SS**  trans-76.1143.5-164.846.90000113.3
238E26.1Very low25.2Very low173 Ų173147.3 Ų147.381%0.80878%0.779SS**  169.1108.2110.2-90.5179.5-17900110
239K22.2Very low25.3Very low202 Ų202149.2 Ų149.288%0.87879%0.785SS**  trans-113.5103.4158.4-79.8-176.4179.4176.70106.6
240S25.7Very low25.5Very low98 Ų98146.9 Ų146.969%0.68579%0.79SS**  trans-97.3105.9172.921.60000109.4
241Y24.3Very low25.5Very low208 Ų208144.7 Ų144.782%0.81679%0.786SS**  trans-77.3127.7158.7-89.5-93.8000107.9
242F25.5Very low26Very low203 Ų203148.7 Ų148.789%0.8979%0.792SS**  trans-89.8113.6170.2-102.3-87.8000110
243T23.6Very low25.8Very low96 Ų96147 Ų14759%0.58979%0.793SS**  trans-91.4127167.1-290000108Y245T243-Y245 HydrophobicContact CG2-CE2 4.35Å
244I23.9Very low26Very low170 Ų170143.8 Ų143.887%0.87279%0.791SS**  trans-81.6114.4171.3-60.9174.1000106.9
245Y26.1Very low26.2Very low189 Ų189142.3 Ų142.374%0.74178%0.782SS**  trans-93.2128.7172.2-82.4-82000110.8T243T243-Y245 HydrophobicContact CG2-CE2 4.35Å
246D22.3Very low26.6Very low154 Ų154140 Ų14082%0.82478%0.781SS**  trans-84.3131.7163.3-159.1-1000107.5
247V26.4Very low26.5Very low98 Ų98143 Ų14359%0.59478%0.781SS**  trans-130.2109.2-179.9-179.90000109.6
248S26.8Very low26.8Very low104 Ų104143.3 Ų143.373%0.72778%0.781SS**  trans-137.1112.4154.963.90000109.9
249N27.5Very low26.8Very low152 Ų152139.6 Ų139.681%0.81377%0.774SS**  trans53.6115153.8-70.5-26.7000122.1
250S30.4Very low27.1Very low123 Ų123140.2 Ų140.286%0.8678%0.777SS**  -166133.2113.9-165.90000112.3
251L26.2Very low27Very low142 Ų142139.3 Ų139.374%0.74378%0.784SS**  trans-76.1145.2176.2-74.396.3000113.2
252H32.5Very low27Very low191 Ų191138.7 Ų138.788%0.88479%0.788SS**  171.5132115.3-100.5-44000113.5
253G29.1Very low26.8Very low65 Ų65133.8 Ų133.867%0.6779%0.785SS**  trans113.796.1137.200000120
254S27.9Very low26.8Very low118 Ų118133.9 Ų133.983%0.82580%0.795SS**  trans37.9137.5135.158.80000120.5
255S28.8Very low26.7Very low109 Ų109135.3 Ų135.376%0.76280%0.796SS**  cis-178.416120.742.10000110
256S31.8Very low26.6Very low126 Ų126134.2 Ų134.288%0.88180%0.795SS**  trans10298.6164.972.80000118.4
257E24.4Very low26.6Very low183 Ų183133.2 Ų133.286%0.85579%0.789SS**  trans-85.8173.3162.9-102.4-168.1173.900110.8
258P31.2Very low26.4Very low106 Ų106136.4 Ų136.469%0.68880%0.798SS**  cis-143.7151.927.836.6-14.2000120.3
259S26.4Very low26.3Very low94 Ų94140 Ų14066%0.65780%0.804SS**  trans64.2105.1135.6690000122.7
260F27.7Very low26.3Very low215 Ų215141.4 Ų141.494%0.94381%0.805SS**SBend-159117.5102.5-110.5-82.7000110.9
261G24.6Very low25.9Very low80 Ų80143.4 Ų143.483%0.82580%0.804SS**  trans73.880.215400000120.3
262H23.3Very low25.8Very low195 Ų195142.5 Ų142.590%0.90381%0.808SS**  trans-93.1145.5167.2-92.367.4000113.1
263A21.7Very low25.5Very low99 Ų99138.1 Ų138.182%0.81881%0.805SS**  trans-69.3156.2159.300000111.7
264A24.2Very low25.2Very low99 Ų99143 Ų14382%0.81882%0.815SS**  trans-135.6127163.900000110.3
265F21.4Very low25Very low200 Ų200148.7 Ų148.788%0.87782%0.818SS**  trans-130.1167.8166.3-116.1-82.8000108.1
266F23Very low24.9Very low166 Ų166154.7 Ų154.773%0.72882%0.824SS**  trans98.8135.4-178-61.8-74000113.8
267D23.6Very low24.6Very low132 Ų132158.5 Ų158.571%0.70683%0.825SS**  cis-162.6169.926.6-156.27.3000114.5
268E22.4Very low24.5Very low165 Ų165161.2 Ų161.277%0.77183%0.828SS**  trans-19.7129.8171.9-72.8-165.9154.500121.4
269Q24.5Very low24.4Very low181 Ų181161.4 Ų161.485%0.84683%0.831SS**  trans178.9103.3134.4-100.517230.500110.8
270H26.4Very low24.4Very low181 Ų181162.1 Ų162.184%0.83884%0.837SS**  trans164.384.2140.5-93.3101.4000112.5
271I22.9Very low24.3Very low165 Ų165156.4 Ų156.485%0.84682%0.823SS**  trans-129.991.6148.2-62.4-179.2000106.9
272C24.3Very low24.5Very low122 Ų122159 Ų15982%0.82482%0.818SS**  trans-178.8101155.8-98.80000110.4
273A25.6Very low24.7Very low100 Ų100158.6 Ų158.683%0.82681%0.814SS**  trans178.884.2144.200000112.1
274L22.8Very low25Very low167 Ų167159.7 Ų159.787%0.87481%0.806SS**SBendtrans-143.8127.1139.6-94.6175.8000107.8
275R24.1Very low25.1Very low238 Ų238161.6 Ų161.690%0.89880%0.803SS**  trans92.683.5177.4-56.5-176.5-175.1-1741.6117
276R25.6Very low25.4Very low234 Ų234161.8 Ų161.888%0.88380%0.803SS**  -165.5114.9119.9-105.8171.3-175.2164.71.1107.6
277F26.5Very low25.7Very low207 Ų207158.5 Ų158.591%0.90880%0.801SS**  179.8100.2127.5-95.2-69.7000108.3
278R23.4Very low25.9Very low240 Ų240164.4 Ų164.491%0.90681%0.814SS**  trans-105.6144.2150.8-105.4-175.1176.7179.5-0.9105.8
279S27.3Very low26.1Very low109 Ų109166.3 Ų166.376%0.76282%0.819SS**  trans112112.6165.773.90000117.1
280S28.1Very low26.3Very low110 Ų110162.3 Ų162.377%0.76981%0.811SS**  trans52.7141.9151.972.50000120.1
281S25.2Very low26.4Very low94 Ų94162.3 Ų162.366%0.65781%0.811SS**  cis-174.8160.2-7.240.20000104.8
282D29Very low26.6Very low135 Ų135164.2 Ų164.272%0.72281%0.814SS**  trans91.8103.9166.1-53.8-33.8000119.2
283F27Very low26.6Very low186 Ų186169 Ų16982%0.81682%0.815SS**  38.5127.9124.9-78.4-95.5000116.9
284D28Very low26.7Very low122 Ų122175 Ų17565%0.65282%0.816SS**  cis-171.816235.5-145.3-24.2000110.7
285N26.3Very low26.9Very low139 Ų139176.3 Ų176.374%0.74382%0.817SS**  trans2.4136.3163.6-85.2-62.1000122.7
286K26.7Very low26.9Very low204 Ų204173 Ų17389%0.88782%0.816SS**SBendtrans100.677.9159.5-58.9173.3-178.6174.20116.5
287S30.3Very low26.9Very low98 Ų98167.8 Ų167.869%0.68581%0.81SS**SBendtrans-170-9.5143.4-151.50000116.4K289S287-K289 VanDerWaalsContact C-N 3.33Å; S287-K289 PolarHBondContact O-N 3.42Å
288W26.6Very low26.7Very low256 Ų256166.2 Ų166.297%0.9781%0.805SS**THydrogen-bonded Turntrans-80.3-5.6-176.3-94.431.2000116.1
289K27.4Very low26.7Very low205 Ų205166.7 Ų166.789%0.89181%0.807SS**THydrogen-bonded Turntrans-91.16.2174.9-85-178.3176175.10114.8S287S287-K289 VanDerWaalsContact C-N 3.33Å; S287-K289 PolarHBondContact O-N 3.42Å
290S29.8Very low26.5Very low96 Ų96167.3 Ų167.367%0.67181%0.811SS**SBendtrans-111-1.4-177.4-164.40000115.9
291H27.4Very low26.5Very low181 Ų181167.7 Ų167.784%0.83881%0.811SS**SBendtrans-114.8-3.6-179.2-152.8-82000114.3
292F26.9Very low26.4Very low205 Ų205171.4 Ų171.490%0.89982%0.822SS**SBendtrans-110.220.8177.9-123.5-89.3000113.4
293R25.8Very low26.2Very low224 Ų224169.5 Ų169.585%0.84582%0.819SS**SBendtrans-129.738.8-173.3-104.5-170.9-178-171.80.5114.6
294R26.7Very low26.2Very low226 Ų226172.1 Ų172.185%0.85382%0.823SS**SBendtrans-13611.1175.8-109.5-178.3-154.6135.84.3118.2
295H26.1Very low26Very low193 Ų193175.8 Ų175.889%0.89483%0.834SS**SBendtrans-132.235.1173.2-88.1-48000115.2
296L24.5Very low26.1Very low169 Ų169174.8 Ų174.889%0.88584%0.837SS**  trans-12888164-81.2166.2000108.8
297V25.5Very low25.9Very low124 Ų124176.8 Ų176.875%0.75284%0.839SS**  trans-135.786.6165.2-177.50000107.3
298H22.3Very low25.8Very low175 Ų175178.5 Ų178.581%0.8185%0.846SS**  trans171.472135.8-94.2-64.7000109.5
299W23.3Very low25.7Very low249 Ų249170.8 Ų170.894%0.94383%0.831SS**  trans-133.1113.3155.3-89.468.9000106.6
300S24Very low25.6Very low122 Ų122166.3 Ų166.385%0.85383%0.825SS**  trans-77.7145171.2-113.50000109.9
301P27.9Very low25.4Very low118 Ų118170.8 Ų170.877%0.76684%0.835SS**  trans-106132.5-15815.26.1000113.3
302I22.5Very low25.3Very low173 Ų173169.4 Ų169.489%0.88783%0.834SS**  trans-77.9118.5157.5-66.3167.8000108.1
303S25.1Very low25.2Very low94 Ų94169.2 Ų169.266%0.65783%0.833SS**  trans178126.5137.9-171.50000111.4
304R27.2Very low25Very low241 Ų241167.7 Ų167.791%0.90984%0.836SS**  -168.1108119-102.2172.7-165.6-168.45.4112.5
305K24.9Very low25.1Very low199 Ų199163.4 Ų163.487%0.86584%0.835SS**  trans24.2122.8138.4-64179176.9179.70118.6
306S27.2Very low25Very low118 Ų118158.7 Ų158.783%0.82582%0.824SS**  -138.3148124.978.90000110.2
307R22.1Very low25Very low246 Ų246160 Ų16093%0.92883%0.826SS**  trans-114.2109.4-166.9-176.8-172.5-163.2-1783.9105.4
308V28.9Very low25.1Very low135 Ų135160.5 Ų160.582%0.81882%0.823SS**  trans-140140.8165.8-176.80000109.3
309S24.7Very low25.4Very low94 Ų94158.7 Ų158.766%0.65781%0.814SS**  trans-55.6144-170.445.60000117.5
310S25.4Very low25.9Very low110 Ų110149.2 Ų149.277%0.76979%0.786SS**  trans2.8116.2142.848.60000117.8
311Q25.1Very low26.2Very low190 Ų190149.3 Ų149.389%0.88878%0.777SS**  trans-161.7142.9137.5-108.7170.7400110.8
312N24.3Very low26.3Very low152 Ų152149.9 Ų149.981%0.81377%0.769SS**  trans-48.7135-175.6-58.2-36000114
313F24.9Very low26.6Very low201 Ų201147.8 Ų147.888%0.88276%0.759SS**  trans-145.6116.2148.7-100.6-81.1000109.2T315F313-T315 PolarHBondContact O-N 3.12Å
314E23.3Very low26.9Very low193 Ų193146.9 Ų146.990%0.90275%0.745SS**  trans-54.2120.6164-72.1164.1140.800108.8
315T27Very low27.3Very low136 Ų136139.8 Ų139.883%0.83473%0.728SS**  trans-92.7106.8167.351.20000108.4F313F313-T315 PolarHBondContact O-N 3.12Å
316S24.7Very low27.7Very low94 Ų94132.3 Ų132.366%0.65770%0.701SS**  trans-48.4125.4167.950.20000112.7I318S316-I318 PolarHBondContact O-N 3.34Å
317E25.7Very low28.1Very low197 Ų197130.2 Ų130.292%0.92168%0.675SS**  trans-59.5111157.8-72.6176137.800109.4
318I25.9Very low28.9Very low134 Ų134121.8 Ų121.869%0.68765%0.654SS**  trans-137.3121.5167.3-59.1-178.5000110.3S316S316-I318 PolarHBondContact O-N 3.34Å
319H30Very low29.6Very low136 Ų136118.6 Ų118.663%0.6364%0.638SS**  trans30.1105.5163.4-71.9-36.9000120.4
320S33.4Very low30.4Very low51 Ų51121 Ų12136%0.35763%0.633SS.*  trans-127.10.7172.969.90000114.6R449S320-R449 PolarHBondContact OG-NH1 2.85Å; S320-R449 PolarHBondContact OG-NH2 2.87Å
321D30.4Very low31.2Very low124 Ų124116.7 Ų116.766%0.66360%0.602SS**Hα-helixtrans-81.3-20.4171-69-33.1000112.6T325D321-T325 VanDerWaalsContact O-CB 3.31Å; D321-T325 WeakPolarHBondContact O-CB 3.43Å; D321-T325 PolarHBondContact O-OG1 3.04Å
322E30Very low32.3Very low129 Ų129110.8 Ų110.860%0.60358%0.581SS**Hα-helixtrans-74-31.6-174.8-73.4-173.9140.300114.4S326E322-S326 WeakPolarHBondContact O-CB 3.09Å; E322-S326 PolarHBondContact O-N 2.69Å
323L29.2Very low33.4Very low130 Ų130106.4 Ų106.468%0.68156%0.562SS**Hα-helixtrans-82.7-38.2-171.9-84.9159000114.2S326 Y327L323-S326 WeakPolarHBondContact O-CB 3.41Å; L323-S326 PolarHBondContact O-N 3.28Å; L323-Y327 PolarHBondContact O-N 3.11Å
324Q30.9Very low34.5Very low75 Ų75102.3 Ų102.335%0.3555%0.549SS..Hα-helixtrans-74-37.5175.9-169.6162.6-4.100111S326 Y327 S328Q324-S326 VanDerWaalsContact C-N 3.33Å; Q324-Y327 PolarHBondContact O-N 3.35Å; Q324-S328 PolarHBondContact O-N 3.4Å
325T34.8Very low35.9Very low92 Ų9296.3 Ų96.356%0.56452%0.518SS*.Hα-helixtrans-60.9-43.8168.4-48.90000109.8D321 Y327 S329D321-T325 VanDerWaalsContact O-CB 3.31Å; D321-T325 WeakPolarHBondContact O-CB 3.43Å; D321-T325 PolarHBondContact O-OG1 3.04Å; T325-Y327 PolarHBondContact O-N 2.9Å; T325-S329 VanDerWaalsContact O-CA 3.3Å; T325-S329 WeakPolarHBondContact O-CA 3.07Å; T325-S329 WeakPolarHBondContact O-CB 3.49Å; T325-S329 PolarHBondContact O-N 2.62Å
326S34.2Very low37.2Very low41 Ų4193.2 Ų93.229%0.28750%0.499SS..Hα-helixtrans-59.3-42.4175.7172.50000113.2E322 L323 Q324 R330E322-S326 WeakPolarHBondContact O-CB 3.09Å; E322-S326 PolarHBondContact O-N 2.69Å; L323-S326 WeakPolarHBondContact O-CB 3.41Å; L323-S326 PolarHBondContact O-N 3.28Å; Q324-S326 VanDerWaalsContact C-N 3.33Å; S326-R330 VanDerWaalsContact O-CB 3.27Å; S326-R330 WeakPolarHBondContact O-CB 3.47Å; S326-R330 WeakPolarHBondContact O-CG 3.45Å; S326-R330 PolarHBondContact O-N 3.06Å; S326-R330 PolarHBondContact OG-NE 2.54Å
327Y34.9Very low38.4Very low75 Ų7591.7 Ų91.729%0.29449%0.489SS..Hα-helixtrans-74.2-51.7-179.5-173.7-94000113.4V105 M106 G107 L323 Q324 T325 S329 R330 V331V105-Y327 WeakPolarHBondContact O-CE1 3.19Å; V105-Y327 PolarHBondContact O-OH 2.78Å; M106-Y327 VanDerWaalsContact CA-OH 3.23Å; M106-Y327 WeakPolarHBondContact CA-OH 3.48Å; M106-Y327 PolarHBondContact O-OH 3.02Å; G107-Y327 PolarHBondContact N-OH 3.2Å; L323-Y327 PolarHBondContact O-N 3.11Å; Q324-Y327 PolarHBondContact O-N 3.35Å; T325-Y327 PolarHBondContact O-N 2.9Å; Y327-S329 PolarHBondContact O-N 3.2Å; Y327-R330 PolarHBondContact O-N 3.05Å; Y327-V331 HydrophobicContact CD1-CG2 4.48Å; Y327-V331 HydrophobicContact CE1-CG2 3.88Å; Y327-V331 HydrophobicContact CE2-CG2 4.5Å; Y327-V331 PolarHBondContact O-N 3.47Å
328S39.6Very low39.6Very low69 Ų6983.2 Ų83.248%0.48345%0.448SS..Hα-helixtrans-62.8-34174.8-70.90000111.5Q324 S332Q324-S328 PolarHBondContact O-N 3.4Å; S328-S332 WeakPolarHBondContact O-CB 3.29Å; S328-S332 PolarHBondContact O-N 3.47Å; S328-S332 PolarHBondContact O-OG 2.88Å
329S44Very low41Very low68 Ų6881.2 Ų81.248%0.47644%0.435SS..Hα-helixtrans-70-32.6171.9-172.50000112.3T325 Y327 S333T325-S329 VanDerWaalsContact O-CA 3.3Å; T325-S329 WeakPolarHBondContact O-CA 3.07Å; T325-S329 WeakPolarHBondContact O-CB 3.49Å; T325-S329 PolarHBondContact O-N 2.62Å; Y327-S329 PolarHBondContact O-N 3.2Å; S329-S333 WeakPolarHBondContact O-CA 3.38Å; S329-S333 WeakPolarHBondContact O-CB 3.24Å; S329-S333 PolarHBondContact O-N 3.33Å
330R40Very low42Very low144 Ų14478.6 Ų78.654%0.54343%0.425SS..Hα-helixtrans-69.5-46174.6-81.6170.9-164.6-149.7-0.3111.7S326 Y327 S333 L334S326-R330 VanDerWaalsContact O-CB 3.27Å; S326-R330 WeakPolarHBondContact O-CB 3.47Å; S326-R330 WeakPolarHBondContact O-CG 3.45Å; S326-R330 PolarHBondContact O-N 3.06Å; S326-R330 PolarHBondContact OG-NE 2.54Å; Y327-R330 PolarHBondContact O-N 3.05Å; R330-S333 CarbonylContact O-C 3.49Å; R330-S333 PolarHBondContact O-N 3.15Å; R330-L334 WeakPolarHBondContact O-CB 3.47Å; R330-L334 WeakPolarHBondContact O-CG 3.39Å; R330-L334 PolarHBondContact O-N 2.77Å
331V43.6Very low43Very low20 Ų2079.1 Ų79.112%0.12143%0.428CS..Hα-helixtrans-66.6-41.6176177.20000110.7Y327 S333 L334 R335Y327-V331 HydrophobicContact CD1-CG2 4.48Å; Y327-V331 HydrophobicContact CE1-CG2 3.88Å; Y327-V331 HydrophobicContact CE2-CG2 4.5Å; Y327-V331 PolarHBondContact O-N 3.47Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-L334 PolarHBondContact O-N 3.44Å; V331-R335 WeakPolarHBondContact O-CB 3.26Å; V331-R335 WeakPolarHBondContact O-CG 3.42Å; V331-R335 PolarHBondContact O-N 3.34Å
332S47.4Very low44.4Very low65 Ų6573.8 Ų73.846%0.45540%0.398SS..Hα-helixtrans-66-36.2173.8-60.10000111.5S328 T336S328-S332 WeakPolarHBondContact O-CB 3.29Å; S328-S332 PolarHBondContact O-N 3.47Å; S328-S332 PolarHBondContact O-OG 2.88Å; S332-T336 WeakPolarHBondContact O-CA 3.47Å; S332-T336 WeakPolarHBondContact O-CB 3.42Å; S332-T336 PolarHBondContact O-N 2.8Å; S332-T336 PolarHBondContact O-OG1 3.32Å
333S47.4Very low45.5Very low60 Ų6073.7 Ų73.742%0.4239%0.392SS..Hα-helixtrans-70.1-38.1175.9-178.70000111.6S329 R330 V331 T336 S337S329-S333 WeakPolarHBondContact O-CA 3.38Å; S329-S333 WeakPolarHBondContact O-CB 3.24Å; S329-S333 PolarHBondContact O-N 3.33Å; R330-S333 CarbonylContact O-C 3.49Å; R330-S333 PolarHBondContact O-N 3.15Å; V331-S333 VanDerWaalsContact C-N 3.33Å; S333-T336 PolarHBondContact O-N 3.36Å; S333-S337 WeakPolarHBondContact O-CA 3.36Å; S333-S337 WeakPolarHBondContact O-CB 3.48Å; S333-S337 PolarHBondContact O-N 2.81Å; S333-S337 PolarHBondContact O-OG 3.3Å
334L47.6Very low46.5Very low115 Ų11576.5 Ų76.560%0.60239%0.394SS*.Hα-helixtrans-65.6-47.3172.2-77.2166.6000111R330 V331 T336 S337 Y338R330-L334 WeakPolarHBondContact O-CB 3.47Å; R330-L334 WeakPolarHBondContact O-CG 3.39Å; R330-L334 PolarHBondContact O-N 2.77Å; V331-L334 PolarHBondContact O-N 3.44Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 3.4Å; L334-S337 PolarHBondContact O-N 3.25Å; L334-Y338 VanDerWaalsContact O-CB 3.28Å; L334-Y338 WeakPolarHBondContact O-CB 3.33Å; L334-Y338 PolarHBondContact O-N 2.98Å
335R52.8Low47.2Very low67 Ų6779.8 Ų79.825%0.25340%0.403SS..Hα-helixtrans-57.2-46172.9-83.3179.4178.4177.31.9111.8V331 K339 V624V331-R335 WeakPolarHBondContact O-CB 3.26Å; V331-R335 WeakPolarHBondContact O-CG 3.42Å; V331-R335 PolarHBondContact O-N 3.34Å; R335-K339 VanDerWaalsContact O-CB 3.3Å; R335-K339 WeakPolarHBondContact O-CB 3.41Å; R335-K339 WeakPolarHBondContact O-CG 3.47Å; R335-K339 PolarHBondContact O-N 3.24Å; R335-V624 HydrophobicContact CB-CG1 4.48Å; R335-V624 HydrophobicContact CG-CG1 3.48Å; R335-V624 VanDerWaalsContact CG-CG1 3.48Å
336T53.8Low47.7Very low71 Ų7178 Ų7844%0.43639%0.388SS..Hα-helixtrans-70.4-40.2-178.5-58.60000110.6S332 S333 L334 K339 L340S332-T336 WeakPolarHBondContact O-CA 3.47Å; S332-T336 WeakPolarHBondContact O-CB 3.42Å; S332-T336 PolarHBondContact O-N 2.8Å; S332-T336 PolarHBondContact O-OG1 3.32Å; S333-T336 PolarHBondContact O-N 3.36Å; L334-T336 VanDerWaalsContact C-N 3.32Å; L334-T336 PolarHBondContact O-N 3.4Å; T336-K339 PolarHBondContact O-N 2.84Å; T336-L340 HydrophobicContact CG2-CD1 3.68Å; T336-L340 HydrophobicContact CG2-CG 4.07Å; T336-L340 WeakPolarHBondContact O-CA 3.17Å; T336-L340 WeakPolarHBondContact O-CB 3.25Å; T336-L340 WeakPolarHBondContact O-CG 3.48Å; T336-L340 PolarHBondContact O-N 2.99Å
337S49.8Very low48.2Very low63 Ų6382.1 Ų82.144%0.44141%0.407SS..Hα-helixtrans-64.6-43.3176.5-65.30000110.9S333 L334 L340 C341S333-S337 WeakPolarHBondContact O-CA 3.36Å; S333-S337 WeakPolarHBondContact O-CB 3.48Å; S333-S337 PolarHBondContact O-N 2.81Å; S333-S337 PolarHBondContact O-OG 3.3Å; L334-S337 PolarHBondContact O-N 3.25Å; S337-L340 PolarHBondContact O-N 3.48Å; S337-C341 VanDerWaalsContact O-CB 3.3Å; S337-C341 WeakPolarHBondContact O-CB 3.29Å; S337-C341 PolarHBondContact O-N 2.94Å
338Y52.9Low48.3Very low19 Ų1986.7 Ų86.78%0.07543%0.425CS..Hα-helixtrans-63.3-49.4174.8-166.7-88.4000111.3L334 L340 C341 R342 V622 V624 P626 H645L334-Y338 VanDerWaalsContact O-CB 3.28Å; L334-Y338 WeakPolarHBondContact O-CB 3.33Å; L334-Y338 PolarHBondContact O-N 2.98Å; Y338-L340 PolarHBondContact O-N 2.98Å; Y338-C341 PolarHBondContact O-N 3.42Å; Y338-R342 PolarHBondContact O-N 2.82Å; Y338-V622 HydrophobicContact CE2-CG1 4.48Å; Y338-V624 HydrophobicContact CD1-CG2 3.97Å; Y338-V624 HydrophobicContact CD2-CG2 4.11Å; Y338-V624 HydrophobicContact CE1-CG2 4.08Å; Y338-V624 HydrophobicContact CE2-CG2 4.2Å; Y338-V624 HydrophobicContact CG-CG2 3.98Å; Y338-P626 PolarHBondContact OH-O 2.89Å; Y338-H645 AromaticContact CD2-ND1 3.55Å; Y338-H645 HydrophobicContact CE1-CB 4.39Å; Y338-H645 HydrophobicContact CE2-CB 3.93Å; Y338-H645 AromaticContact CE2-ND1 3.31Å; Y338-H645 VanDerWaalsContact CE2-ND1 3.31Å; Y338-H645 WeakPolarHBondContact CE2-ND1 3.47Å; Y338-H645 WeakPolarHBondContact CE2-O 3.45Å; Y338-H645 AromaticContact CZ-ND1 3.94Å; Y338-H645 WeakPolarHBondContact OH-CB 3.47Å; Y338-H645 PolarHBondContact OH-O 3.14Å; Y338-H645 VanDerWaalsContact OH-O 3.07Å
339K54.5Low48.1Very low92 Ų9287.4 Ų87.440%0.442%0.424SS..Hα-helixtrans-60.7-39.8175.2-73.5179-180-1680112.7R335 T336 R342 R343R335-K339 VanDerWaalsContact O-CB 3.3Å; R335-K339 WeakPolarHBondContact O-CB 3.41Å; R335-K339 WeakPolarHBondContact O-CG 3.47Å; R335-K339 PolarHBondContact O-N 3.24Å; T336-K339 PolarHBondContact O-N 2.84Å; K339-R342 WeakPolarHBondContact O-CB 3.46Å; K339-R342 PolarHBondContact O-N 3.26Å; K339-R343 WeakPolarHBondContact O-CG 3.28Å; K339-R343 PolarHBondContact O-N 2.95Å
340L51.5Low47.6Very low81 Ų8187.9 Ų87.942%0.42443%0.425SS..Hα-helixtrans-68.5-41.3177.3-79.6169.7000111.8T336 S337 Y338 R342 R343 R344T336-L340 HydrophobicContact CG2-CD1 3.68Å; T336-L340 HydrophobicContact CG2-CG 4.07Å; T336-L340 WeakPolarHBondContact O-CA 3.17Å; T336-L340 WeakPolarHBondContact O-CB 3.25Å; T336-L340 WeakPolarHBondContact O-CG 3.48Å; T336-L340 PolarHBondContact O-N 2.99Å; S337-L340 PolarHBondContact O-N 3.48Å; Y338-L340 PolarHBondContact O-N 2.98Å; L340-R342 PolarHBondContact O-N 2.87Å; L340-R343 PolarHBondContact O-N 3.16Å; L340-R344 WeakPolarHBondContact O-CG 3.37Å; L340-R344 PolarHBondContact O-N 2.91Å
341C53.1Low47.2Very low61 Ų6187.7 Ų87.741%0.41243%0.434SS..Hα-helixtrans-59.3-41.1174.5-146.80000110S337 Y338 H645S337-C341 VanDerWaalsContact O-CB 3.3Å; S337-C341 WeakPolarHBondContact O-CB 3.29Å; S337-C341 PolarHBondContact O-N 2.94Å; Y338-C341 PolarHBondContact O-N 3.42Å; C341-H645 PolarHBondContact SG-NE2 3.3Å; C341-H645 VanDerWaalsContact SG-NE2 3.43Å
342R60Low46.6Very low13 Ų1393.4 Ų93.45%0.04946%0.463CS..Hα-helixtrans-65-49.1174.5-159.5179.8-165.9111.235.9113.1Y338 K339 L340 R344 R345 H346 A628 D629 N638 D643Y338-R342 PolarHBondContact O-N 2.82Å; K339-R342 WeakPolarHBondContact O-CB 3.46Å; K339-R342 PolarHBondContact O-N 3.26Å; L340-R342 PolarHBondContact O-N 2.87Å; R342-R344 VanDerWaalsContact C-N 3.29Å; R342-R344 PolarHBondContact O-N 3.34Å; R342-R345 WeakPolarHBondContact O-CB 3.32Å; R342-R345 PolarHBondContact O-N 2.71Å; R342-H346 PolarHBondContact O-N 3.44Å; R342-A628 PolarHBondContact NH1-O 2.92Å; R342-D629 WeakPolarHBondContact CD-OD2 3.47Å; R342-D629 IonicContact CZ-OD2 3.18Å; R342-D629 IonicContact NE-OD2 3.58Å; R342-D629 PolarHBondContact NE-OD2 3.21Å; R342-N638 PolarHBondContact NE-ND2 2.86Å; R342-N638 VanDerWaalsContact NE-ND2 3.18Å; R342-N638 PolarHBondContact NH2-ND2 3.31Å; R342-N638 PolarHBondContact NH2-OD1 3.24Å; R342-D643 PolarHBondContact NH2-O 3.15Å; R342-D643 VanDerWaalsContact NH2-O 3.11Å; R342-D643 IonicContact NH2-OD2 3.72Å
343R53.9Low45.8Very low126 Ų12699.3 Ų99.348%0.47548%0.48SS..Hα-helixtrans-54-43.7176.2-81.9-177.2174.1-179.9-2.3112.4K339 L340 R345 H346 N347 E630K339-R343 WeakPolarHBondContact O-CG 3.28Å; K339-R343 PolarHBondContact O-N 2.95Å; L340-R343 PolarHBondContact O-N 3.16Å; R343-R345 PolarHBondContact O-N 2.95Å; R343-H346 PolarHBondContact O-N 3.5Å; R343-N347 PolarHBondContact O-N 3.07Å; R343-N347 VanDerWaalsContact O-N 3.09Å; R343-E630 IonicContact CZ-OE1 2.7Å; R343-E630 IonicContact CZ-OE2 2.75Å; R343-E630 IonicContact NE-OE1 2.75Å; R343-E630 PolarHBondContact NE-OE1 3.47Å; R343-E630 IonicContact NE-OE2 3.75Å; R343-E630 IonicContact NH2-OE1 3.65Å; R343-E630 PolarHBondContact NH2-OE1 3.11Å; R343-E630 IonicContact NH2-OE2 2.96Å; R343-E630 PolarHBondContact NH2-OE2 3.19Å
344R49.5Very low44.8Very low189 Ų189102.2 Ų102.271%0.71350%0.496SS*.Hα-helixtrans-55.7-41178.1-76.8-179.5178-177.10.7110.6L340 R342 Y348L340-R344 WeakPolarHBondContact O-CG 3.37Å; L340-R344 PolarHBondContact O-N 2.91Å; R342-R344 VanDerWaalsContact C-N 3.29Å; R342-R344 PolarHBondContact O-N 3.34Å; R344-Y348 WeakPolarHBondContact O-CD2 3.28Å; R344-Y348 PolarHBondContact O-N 3.35Å
345R46.3Very low43.8Very low144 Ų144107.7 Ų107.754%0.54351%0.509SS..Hα-helixtrans-74.3-40.5179.3-155.5-179.8-175.3-165.20.1113.6R342 R343 N347 Y348 N349 D643R342-R345 WeakPolarHBondContact O-CB 3.32Å; R342-R345 PolarHBondContact O-N 2.71Å; R343-R345 PolarHBondContact O-N 2.95Å; R345-N347 PolarHBondContact O-N 2.87Å; R345-Y348 WeakPolarHBondContact O-CA 3.4Å; R345-Y348 WeakPolarHBondContact O-CB 3.3Å; R345-Y348 PolarHBondContact O-N 3.04Å; R345-N349 PolarHBondContact O-N 3.34Å; R345-D643 IonicContact CZ-OD1 3.39Å; R345-D643 IonicContact NH1-OD1 3.4Å; R345-D643 PolarHBondContact NH1-OD1 3.12Å; R345-D643 IonicContact NH1-OD2 3.82Å
346H45.5Very low42.5Very low55 Ų55109.8 Ų109.826%0.25553%0.531SS..Hα-helixtrans-62.1-32175.4-92.7-65.5000112.9R342 R343 Y348 N349 P350 D629R342-H346 PolarHBondContact O-N 3.44Å; R343-H346 PolarHBondContact O-N 3.5Å; H346-Y348 VanDerWaalsContact C-N 3.3Å; H346-Y348 PolarHBondContact O-N 3.36Å; H346-N349 PolarHBondContact O-N 3.5Å; H346-P350 VanDerWaalsContact O-CD 3.3Å; H346-P350 WeakPolarHBondContact O-CD 3Å; H346-D629 IonicContact NE2-OD2 3.7Å
347N43.6Very low41.2Very low127 Ų127113.3 Ų113.368%0.67955%0.553SS**THydrogen-bonded Turntrans-73.7-16.5172.6-77.3-23.8000113.9R343 R345 P350R343-N347 PolarHBondContact O-N 3.07Å; R343-N347 VanDerWaalsContact O-N 3.09Å; R345-N347 PolarHBondContact O-N 2.87Å; N347-P350 VanDerWaalsContact C-CD 3.49Å; N347-P350 WeakPolarHBondContact O-CD 3.37Å
348Y36.8Very low40.1Very low171 Ų171114.6 Ų114.667%0.67156%0.562SS**THydrogen-bonded Turntrans-82.8-24.4169.5-82-74.3000112.8R344 R345 H346R344-Y348 WeakPolarHBondContact O-CD2 3.28Å; R344-Y348 PolarHBondContact O-N 3.35Å; R345-Y348 WeakPolarHBondContact O-CA 3.4Å; R345-Y348 WeakPolarHBondContact O-CB 3.3Å; R345-Y348 PolarHBondContact O-N 3.04Å; H346-Y348 VanDerWaalsContact C-N 3.3Å; H346-Y348 PolarHBondContact O-N 3.36Å
349N35.7Very low38.8Very low85 Ų85121 Ų12146%0.45560%0.597SS.*G310 helixtrans-76.2-12.9-176-133.2-14.8000117.6R345 H346 L351R345-N349 PolarHBondContact O-N 3.34Å; H346-N349 PolarHBondContact O-N 3.5Å; N349-L351 VanDerWaalsContact C-N 3.31Å; N349-L351 PolarHBondContact O-N 3.42Å
350P34Very low37.4Very low78 Ų78125.5 Ų125.551%0.50662%0.624SS.*G310 helixtrans-75.9-19.9174.7-10.928.9000112.6H346 N347 L352 K353H346-P350 VanDerWaalsContact O-CD 3.3Å; H346-P350 WeakPolarHBondContact O-CD 3Å; N347-P350 VanDerWaalsContact C-CD 3.49Å; N347-P350 WeakPolarHBondContact O-CD 3.37Å; P350-L352 VanDerWaalsContact C-N 3.25Å; P350-L352 PolarHBondContact O-N 3.29Å; P350-K353 PolarHBondContact O-N 3.2Å
351L32.2Very low36.1Very low140 Ų140126.6 Ų126.673%0.73364%0.639SS**G310 helixtrans-81.3-0.7-179.1-70.8171.6000113.9N349N349-L351 VanDerWaalsContact C-N 3.31Å; N349-L351 PolarHBondContact O-N 3.42Å
352L31.4Very low34.8Very low139 Ų139128.1 Ų128.173%0.72866%0.656SS**G310 helixtrans-98.3-0.3171.2-77.1162.2000113.2P350P350-L352 VanDerWaalsContact C-N 3.25Å; P350-L352 PolarHBondContact O-N 3.29Å
353K29Very low33.2Very low189 Ų189135.3 Ų135.382%0.82269%0.694SS**SBendtrans-92.66.8177.6-82.8-174.4176.7-179.70115.3P350P350-K353 PolarHBondContact O-N 3.2Å
354T27.7Very low31.8Very low121 Ų121138.7 Ų138.774%0.74272%0.715SS**  trans-10577.4169.459.60000110.8
355R24.9Very low30.6Very low230 Ų230134.2 Ų134.287%0.86871%0.712SS**  trans-94.4123155.7-96.2-174.6176-176.2-0.1107.8T357R355-T357 PolarHBondContact O-N 3.3Å
356P26.9Very low29.6Very low112 Ų112135.2 Ų135.273%0.72773%0.727SS**  trans-70.7126.5171.429.7-29.2000108.2S358P356-S358 PolarHBondContact O-N 3.38Å
357T25.1Very low28.6Very low145 Ų145137 Ų13789%0.8975%0.751SS**  trans-65.795166.147.10000109R355R355-T357 PolarHBondContact O-N 3.3Å
358S26.7Very low27.7Very low90 Ų90136.7 Ų136.763%0.62976%0.755SS**  trans-164.9121.4155.155.70000111.7P356P356-S358 PolarHBondContact O-N 3.38Å
359N27.5Very low27.4Very low154 Ų154136.5 Ų136.582%0.82477%0.765SS**  trans77.483.2158.3-60.1-16000118.9S361N359-S361 PolarHBondContact O-N 3.47Å
360L24.5Very low26.9Very low185 Ų185141.4 Ų141.497%0.96978%0.783SS**  trans-67.796.3142.6-91.5101.7000109.5
361S24.8Very low26.5Very low104 Ų104142.9 Ų142.973%0.72779%0.794SS**  trans-179.691.1147.858.60000109.9N359N359-S361 PolarHBondContact O-N 3.47Å
362A25.2Very low26.1Very low93 Ų93145.6 Ų145.677%0.76980%0.8SS**  trans148.499.1154.100000108.8
363I26.3Very low25.9Very low165 Ų165146.5 Ų146.585%0.84680%0.804SS**  trans-173.388.5135.3-84145000104.1
364H23.6Very low25.5Very low197 Ų197142.9 Ų142.991%0.91280%0.803SS**  trans-138.660.8159.8-142.7-71.9000106.8
365S24.8Very low25.5Very low95 Ų95142.9 Ų142.966%0.66480%0.803SS**  trans-164.1145.8163.761.40000110
366L26.2Very low25.4Very low164 Ų164138.3 Ų138.386%0.85980%0.8SS**  trans89.864.3173.3-61.6141000117.2
367A22.9Very low25.5Very low92 Ų92141.2 Ų141.276%0.7681%0.809SS**  trans-104.1108.1135.500000108.1
368T25.3Very low25.5Very low122 Ų122143.1 Ų143.175%0.74881%0.808SS**  trans160.8104.3152.339.30000110.6
369N29.7Very low25.7Very low166 Ų166144.6 Ų144.689%0.88882%0.815SS**  171.4149.9119.7-98-34.6000113.5
370K26.6Very low25.6Very low189 Ų189142.3 Ų142.382%0.82281%0.811SS**  trans-77.2157.1-168.6-70.2171.5171.2174.70114.4
371S24.3Very low25.8Very low108 Ų108142.2 Ų142.276%0.75581%0.805SS**  trans75.7131.6136.3630000121.8
372K23.8Very low26Very low197 Ų197141.8 Ų141.886%0.85780%0.801SS**  trans58.4112.1149.2-76.1179.1174.9178.50117.1
373I27.3Very low26.6Very low158 Ų158141.7 Ų141.781%0.8180%0.795SS**  -158.1126.5127.8-89.5138.9000108V375I373-V375 HydrophobicContact CG2-CG2 3.98Å
374S21.8Very low27Very low114 Ų114139.5 Ų139.580%0.79778%0.781SS**  trans-77.7131.8166.944.30000110.3
375V27.9Very low27.6Very low121 Ų121136.5 Ų136.573%0.73377%0.767SS**  trans-136118.5159.9179.30000109.1I373I373-V375 HydrophobicContact CG2-CG2 3.98Å
376T22.2Very low28.2Very low133 Ų133140.5 Ų140.582%0.81677%0.768SS**  trans-70.9129.7169.3-6.70000109.9
377L28.9Very low28.8Very low173 Ų173138.3 Ų138.391%0.90675%0.753SS**  trans-145.1137.9154-79.7179.2000110.3
378E25.3Very low29.6Very low186 Ų186138.2 Ų138.287%0.86974%0.74SS**  trans-74.4166.7-166-81.2-149156.400116.5
379P30.4Very low30.2Very low120 Ų120137.5 Ų137.578%0.77973%0.73SS**  trans-96.5126.3-171.135.6-26.4000112.4
380S26.5Very low30.6Very low106 Ų106134.8 Ų134.874%0.74171%0.711SS**  trans-154.7142.4158550000109.9
381H28.4Very low31.2Very low183 Ų183131.9 Ų131.985%0.84770%0.699SS**  trans83.163.6-173.5-61.5-81.8000117.4
382C29.5Very low31.7Very low96 Ų96132.2 Ų132.265%0.64969%0.69SS**  trans-146.666.3154.8-162.50000110.9
383S35.9Very low32.3Very low91 Ų91128.8 Ų128.864%0.63668%0.68SS**SBendtrans-128.5-11.7172.951.80000114
384Q35.4Very low32.7Very low118 Ų118128.9 Ų128.955%0.55167%0.67SS**Hα-helixtrans-97.8-33179.1-154.864.839.200113.6Q387 N388Q384-Q387 PolarHBondContact O-N 3.21Å; Q384-N388 VanDerWaalsContact O-CG 3.27Å; Q384-N388 PolarHBondContact O-N 3.48Å; Q384-N388 PolarHBondContact O-ND2 3.47Å
385E36.5Very low33.3Very low134 Ų134127.7 Ų127.763%0.62666%0.655SS**Hα-helixtrans-72.4-30.7179.6-74.8177.6149.300112.9N388 M389E385-N388 PolarHBondContact O-N 3.43Å; E385-M389 PolarHBondContact O-N 3.3Å
386R36.3Very low33.5Very low180 Ų180126.5 Ų126.568%0.67965%0.648SS**Hα-helixtrans-70.3-38.2175.2-132.1174.1-175.7170.20.4112E390R386-E390 WeakPolarHBondContact O-CG 3.46Å; R386-E390 PolarHBondContact O-N 3.44Å
387Q39.7Very low34Very low117 Ų117125.1 Ų125.155%0.54764%0.64SS.*Hα-helixtrans-70.6-33.4173.5-75.6-176.2-8.100112.6Q384 K391Q384-Q387 PolarHBondContact O-N 3.21Å; Q387-K391 WeakPolarHBondContact O-CB 3.37Å; Q387-K391 PolarHBondContact O-N 3.46Å
388N40Very low34.1Very low91 Ų91120.6 Ų120.649%0.48762%0.623SS.*Hα-helixtrans-72-35.9175.6-71.6-15.9000112.3Q384 E385 K391 M392Q384-N388 VanDerWaalsContact O-CG 3.27Å; Q384-N388 PolarHBondContact O-N 3.48Å; Q384-N388 PolarHBondContact O-ND2 3.47Å; E385-N388 PolarHBondContact O-N 3.43Å; N388-K391 PolarHBondContact O-N 2.6Å; N388-M392 WeakPolarHBondContact O-CB 3.43Å; N388-M392 PolarHBondContact O-N 2.98Å
389M37.5Very low34.1Very low107 Ų107116.9 Ų116.953%0.52762%0.616SS.*Hα-helixtrans-67.2-40.9171.4-91.5-170.3-72.700112.7E385 K391 M392 L393E385-M389 PolarHBondContact O-N 3.3Å; M389-K391 VanDerWaalsContact C-N 3.3Å; M389-K391 PolarHBondContact O-N 3.46Å; M389-M392 PolarHBondContact O-N 3.32Å; M389-L393 PolarHBondContact O-N 3.26Å
390E38Very low34.1Very low108 Ų108118.4 Ų118.451%0.50562%0.617SS.*Hα-helixtrans-71.5-23.6176.1-74.7-175.9179.300113.3R386 R394R386-E390 WeakPolarHBondContact O-CG 3.46Å; R386-E390 PolarHBondContact O-N 3.44Å; E390-R394 PolarHBondContact O-N 3.45Å; E390-R394 PolarHBondContact O-NE 3.18Å; E390-R394 IonicContact OE2-NH2 3.53Å
391K39.5Very low34Very low129 Ų129121.5 Ų121.556%0.56162%0.62SS**Hα-helixtrans-76.3-42.1170.4-167.3179.5178.1-168.60110.9Q387 N388 M389 L393 R394 D395Q387-K391 WeakPolarHBondContact O-CB 3.37Å; Q387-K391 PolarHBondContact O-N 3.46Å; N388-K391 PolarHBondContact O-N 2.6Å; M389-K391 VanDerWaalsContact C-N 3.3Å; M389-K391 PolarHBondContact O-N 3.46Å; K391-L393 PolarHBondContact O-N 2.99Å; K391-R394 PolarHBondContact O-N 3.36Å; K391-D395 VanDerWaalsContact O-CG 3.26Å; K391-D395 PolarHBondContact O-N 3.14Å
392M34.9Very low34.1Very low115 Ų115120.1 Ų120.157%0.56762%0.617SS**Hα-helixtrans-65.2-37.2176-161.5173.971.200112.3N388 M389 R394 D395 T396N388-M392 WeakPolarHBondContact O-CB 3.43Å; N388-M392 PolarHBondContact O-N 2.98Å; M389-M392 PolarHBondContact O-N 3.32Å; M392-R394 VanDerWaalsContact C-N 3.35Å; M392-D395 PolarHBondContact O-N 3.18Å; M392-T396 PolarHBondContact O-N 3.3Å; M392-T396 PolarHBondContact O-OG1 2.72Å
393L36.4Very low33.9Very low124 Ų124120.1 Ų120.165%0.64962%0.618SS**Hα-helixtrans-66.1-35.1173.4-114.488.8000112.6M389 K391 T397M389-L393 PolarHBondContact O-N 3.26Å; K391-L393 PolarHBondContact O-N 2.99Å; L393-T397 PolarHBondContact O-N 3.05Å; L393-T397 PolarHBondContact O-OG1 3.32Å
394R36.3Very low33.5Very low160 Ų160120.5 Ų120.560%0.60462%0.62SS**Hα-helixtrans-70.8-37.5174.4-85.5-179.7-83.7-130.8-1.8112.5E390 K391 M392 T396 T397E390-R394 PolarHBondContact O-N 3.45Å; E390-R394 PolarHBondContact O-NE 3.18Å; E390-R394 IonicContact OE2-NH2 3.53Å; K391-R394 PolarHBondContact O-N 3.36Å; M392-R394 VanDerWaalsContact C-N 3.35Å; R394-T396 VanDerWaalsContact C-N 3.34Å; R394-T397 PolarHBondContact O-N 3.02Å; R394-T397 PolarHBondContact O-OG1 3.23Å; R394-T397 VanDerWaalsContact O-OG1 3.14Å
395D33.1Very low33.1Very low89 Ų89122.4 Ų122.448%0.47663%0.634SS.*Hα-helixtrans-78.8-18.6179.6-64-16.9000112.5K391 M392 T397 S398K391-D395 VanDerWaalsContact O-CG 3.26Å; K391-D395 PolarHBondContact O-N 3.14Å; M392-D395 PolarHBondContact O-N 3.18Å; D395-T397 VanDerWaalsContact C-N 3.34Å; D395-S398 PolarHBondContact O-OG 3.35Å
396T32.8Very low32.7Very low96 Ų96123.6 Ų123.659%0.58964%0.644SS**Hα-helixtrans-80.4-19.1171-39.60000111.7M392 R394 S398M392-T396 PolarHBondContact O-N 3.3Å; M392-T396 PolarHBondContact O-OG1 2.72Å; R394-T396 VanDerWaalsContact C-N 3.34Å; T396-S398 VanDerWaalsContact C-N 3.31Å
397T31.9Very low32.3Very low105 Ų105125.8 Ų125.864%0.64465%0.653SS**THydrogen-bonded Turntrans-81.1-9.3173.1-3.50000113L393 R394 D395L393-T397 PolarHBondContact O-N 3.05Å; L393-T397 PolarHBondContact O-OG1 3.32Å; R394-T397 PolarHBondContact O-N 3.02Å; R394-T397 PolarHBondContact O-OG1 3.23Å; R394-T397 VanDerWaalsContact O-OG1 3.14Å; D395-T397 VanDerWaalsContact C-N 3.34Å
398S30.7Very low31.7Very low78 Ų78128 Ų12855%0.54567%0.668SS.*THydrogen-bonded Turntrans-95.74.2174.857.20000114.9D395 T396D395-S398 PolarHBondContact O-OG 3.35Å; T396-S398 VanDerWaalsContact C-N 3.31Å
399C27.1Very low31.1Very low108 Ų108132 Ų13273%0.7369%0.686SS**SBendtrans-107.818.5175.9-71.10000113.5
400L30Very low30.5Very low152 Ų152135.9 Ų135.980%0.79670%0.703SS**  trans-113.952.3166.8-73.9169.9000109.9I402L400-I402 VanDerWaalsContact C-N 3.25Å; L400-I402 PolarHBondContact O-N 2.93Å
401E25Very low29.9Very low171 Ų171138.4 Ų138.480%0.79972%0.72SS**  trans-83.874.1159.9-76.7-169.1161.100109.3
402I29.4Very low29.2Very low153 Ų153140.3 Ų140.379%0.78574%0.735SS**  trans-125.962.4147.5-54.6-179.9000106L400L400-I402 VanDerWaalsContact C-N 3.25Å; L400-I402 PolarHBondContact O-N 2.93Å
403S25.6Very low28.8Very low96 Ų96141.4 Ų141.467%0.67175%0.748SS**  trans-104.368.3163.359.10000108
404S27.2Very low28.2Very low99 Ų99142.9 Ų142.969%0.69276%0.756SS**SBendtrans-141.518.9174.263.10000114
405L28.1Very low27.7Very low158 Ų158142.4 Ų142.483%0.82777%0.765SS**SBendtrans-139.835.8177.2-119.1140.5000112.9
406N27.4Very low27.5Very low159 Ų159144.2 Ų144.285%0.8579%0.785SS**  trans-138.837.6176.4-131.12.5000112.7
407R27.5Very low27Very low227 Ų227144.9 Ų144.986%0.85779%0.794SS**SBendtrans-114.67.7-177.5-130.3-172.3-75.9-146.81.6115.9
408D26.6Very low27.1Very low163 Ų163144.5 Ų144.587%0.87279%0.793SS**SBendtrans-123.821.9-178.7-71.2-25.5000115.5
409M27.3Very low26.9Very low176 Ų176151.4 Ų151.487%0.86781%0.809SS**SBendtrans-138.350.8169.9-82.9-142.3-5500113.1
410Q25.3Very low26.8Very low188 Ų188151 Ų15188%0.87981%0.806SS**SBendtrans-133.216.7168-88.1-170.35.400114.9
411D25.8Very low26.5Very low160 Ų160149.7 Ų149.786%0.85681%0.805SS**SBendtrans-120.176170.6-81.8-29.9000110.1
412L25.3Very low26.5Very low170 Ų170147.7 Ų147.789%0.8981%0.805SS**SBendtrans-174.535156.2-104.3167.9000115
413V25.2Very low26.2Very low138 Ų138146.6 Ų146.684%0.83680%0.8SS**  trans-146.799.3159.8-175.30000108.5
414L24.7Very low26.2Very low154 Ų154151.9 Ų151.981%0.80681%0.806SS**  trans-179.6127.6141.5-93.2169.1000110.4
415N25.2Very low26.1Very low150 Ų150154.4 Ų154.480%0.80281%0.811SS**  trans90.491.7157.1-56.9-24.8000121
416S28.6Very low26Very low127 Ų127154 Ų15489%0.88881%0.81SS**  -161.9121.4113.451.40000112.1
417S23.2Very low25.9Very low111 Ų111154.6 Ų154.678%0.77681%0.812SS**  trans-92.9-165.9177.8-157.30000110.9
418P33.8Very low25.8Very low96 Ų96154 Ų15462%0.62382%0.816SS**  cis-128.7175-42.717.65.8000112.8
419Y27Very low25.7Very low224 Ų224154 Ų15488%0.87881%0.81SS**  -174.8119.8130-98.1-69.7000114.3
420S24Very low25.6Very low98 Ų98152.1 Ų152.169%0.68580%0.804SS**  trans38116.9146.564.20000126.2
421V24Very low25.5Very low126 Ų126150 Ų15076%0.76480%0.804SS**  26.9118.1123.4-149.30000120.4
422T24.7Very low25.6Very low129 Ų129148 Ų14879%0.79180%0.803SS**  162.4127.1106.836.70000113.4
423D23.9Very low25.6Very low130 Ų130146 Ų14670%0.69580%0.798SS**  trans71.7132.1137.5-127.214.2000123.3
424R26.2Very low25.9Very low207 Ų207147.8 Ų147.878%0.78180%0.797SS**  trans86.5104151-67169.8-166.2-159.9-2.6120.8
425N24.4Very low26.1Very low151 Ų151147.4 Ų147.481%0.80780%0.796SS**  25.9137124.5-67.9-11.6000119.6
426D25.1Very low26.7Very low149 Ų149147.1 Ų147.180%0.79779%0.793SS**  trans86.372.4166.2-56.7-27.5000117
427L25.5Very low27.3Very low172 Ų172144.6 Ų144.690%0.90177%0.769SS**  trans-177.892.4142.9-98.5141000109.8
428K27.2Very low28.3Very low215 Ų215141.5 Ų141.594%0.93575%0.747SS**  trans-120.884.8159.7-83.6-170177.7-177.20109.6
429Q23.8Very low28.8Very low163 Ų163141.4 Ų141.476%0.76275%0.747SS**  trans-116137.9143-84.2-169.2-3.200108
430N24.2Very low29.6Very low137 Ų137132.2 Ų132.273%0.73371%0.714SS**  trans76.3108.3160.5-55.3-20.7000118.1
431T24.7Very low30.6Very low143 Ų143132 Ų13288%0.87770%0.702SS**  166.799116370000111.2
432S26.9Very low31.8Very low119 Ų119131.3 Ų131.383%0.83269%0.688SS**  trans179.160.7145.462.60000109.2E434S432-E434 PolarHBondContact O-N 3.46Å; S432-E434 VanDerWaalsContact O-N 3.14Å
433T26Very low32.9Very low127 Ų127126.4 Ų126.478%0.77966%0.661SS**  trans-77.484.915843.50000106.9N435T433-N435 VanDerWaalsContact C-N 3.29Å; T433-N435 PolarHBondContact O-N 3.44Å; T433-N435 VanDerWaalsContact O-N 3.1Å
434E30.6Very low33.6Very low175 Ų175124 Ų12482%0.81864%0.642SS**  trans-63.2102.5150.4-80.9-171.6157.700105.8S432 I436S432-E434 PolarHBondContact O-N 3.46Å; S432-E434 VanDerWaalsContact O-N 3.14Å; E434-I436 VanDerWaalsContact C-N 3.26Å; E434-I436 PolarHBondContact O-N 2.96Å
435N29.7Very low34.5Very low146 Ų146118.9 Ų118.978%0.78163%0.63SS**  trans-63.993.1170.6-77.9-23.6000107.7T433 L437T433-N435 VanDerWaalsContact C-N 3.29Å; T433-N435 PolarHBondContact O-N 3.44Å; T433-N435 VanDerWaalsContact O-N 3.1Å; N435-L437 PolarHBondContact O-N 3.09Å
436I38.2Very low35.4Very low145 Ų145114.8 Ų114.874%0.74461%0.608SS**  trans-64103.6166.8-61.3173.4000105.9E434 S438E434-I436 VanDerWaalsContact C-N 3.26Å; E434-I436 PolarHBondContact O-N 2.96Å; I436-S438 PolarHBondContact O-N 2.88Å
437L40.2Very low36Very low74 Ų74109.4 Ų109.439%0.38758%0.579SS.*  trans-49.9126.2170.3-71.4161000108.7N435 E441 K442 L445N435-L437 PolarHBondContact O-N 3.09Å; L437-E441 WeakPolarHBondContact CA-OE2 3.4Å; L437-E441 HydrophobicContact CB-CB 4.06Å; L437-E441 HydrophobicContact CD2-CB 3.71Å; L437-E441 HydrophobicContact CD2-CG 4.27Å; L437-E441 HydrophobicContact CG-CB 4.48Å; L437-K442 HydrophobicContact CB-CG 4.16Å; L437-K442 WeakPolarHBondContact O-CE 3.3Å; L437-L445 HydrophobicContact CD1-CD1 3.71Å; L437-L445 HydrophobicContact CD2-CD1 4.01Å; L437-L445 HydrophobicContact CG-CD1 4.49Å
438S43.5Very low36.4Very low45 Ų45107.5 Ų107.532%0.31556%0.563SS.*  trans-56.4153.9173.962.90000110.3I436 V440 E441 K442I436-S438 PolarHBondContact O-N 2.88Å; S438-V440 PolarHBondContact O-N 3.27Å; S438-E441 PolarHBondContact N-OE2 3.28Å; S438-E441 PolarHBondContact O-N 3.29Å; S438-E441 VanDerWaalsContact OG-CG 3.3Å; S438-E441 WeakPolarHBondContact OG-CG 3.32Å; S438-E441 PolarHBondContact OG-N 3.05Å; S438-E441 VanDerWaalsContact OG-N 3.17Å; S438-E441 PolarHBondContact OG-OE2 3.21Å; S438-K442 PolarHBondContact O-N 3.5Å
439P45Very low36.6Very low95 Ų95104 Ų10462%0.61755%0.545SS*.Hα-helixtrans-51.1-31.4174.5-2735.1000113K442 A443P439-K442 PolarHBondContact O-N 2.82Å; P439-A443 PolarHBondContact O-N 2.92Å
440V43.5Very low36.8Very low31 Ų31102.8 Ų102.819%0.18854%0.538CS..Hα-helixtrans-69.1-44.4176.1173.20000112.5S438 K442 A443 R444 H719S438-V440 PolarHBondContact O-N 3.27Å; V440-K442 VanDerWaalsContact C-N 3.27Å; V440-K442 PolarHBondContact O-N 3.34Å; V440-A443 PolarHBondContact O-N 3.38Å; V440-R444 PolarHBondContact O-N 2.82Å; V440-H719 WeakPolarHBondContact CG1-CD2 3.42Å
441E45.6Very low36.9Very low92 Ų92100.7 Ų100.743%0.4353%0.534SS..Hα-helixtrans-65.9-33.3174.6-72.9164.913300111.3L437 S438 L445L437-E441 WeakPolarHBondContact CA-OE2 3.4Å; L437-E441 HydrophobicContact CB-CB 4.06Å; L437-E441 HydrophobicContact CD2-CB 3.71Å; L437-E441 HydrophobicContact CD2-CG 4.27Å; L437-E441 HydrophobicContact CG-CB 4.48Å; S438-E441 PolarHBondContact N-OE2 3.28Å; S438-E441 PolarHBondContact O-N 3.29Å; S438-E441 VanDerWaalsContact OG-CG 3.3Å; S438-E441 WeakPolarHBondContact OG-CG 3.32Å; S438-E441 PolarHBondContact OG-N 3.05Å; S438-E441 VanDerWaalsContact OG-N 3.17Å; S438-E441 PolarHBondContact OG-OE2 3.21Å; E441-L445 VanDerWaalsContact O-CB 3.23Å; E441-L445 WeakPolarHBondContact O-CB 3.45Å; E441-L445 WeakPolarHBondContact O-CD1 3.48Å; E441-L445 VanDerWaalsContact O-CG 3.23Å; E441-L445 WeakPolarHBondContact O-CG 3.48Å; E441-L445 PolarHBondContact O-N 3.4Å
442K49.9Very low37.1Very low112 Ų112100 Ų10049%0.48753%0.533SS..Hα-helixtrans-66.4-41.8171.7-69.3175.6-178.2170.80112.3L437 S438 P439 V440 N446L437-K442 HydrophobicContact CB-CG 4.16Å; L437-K442 WeakPolarHBondContact O-CE 3.3Å; S438-K442 PolarHBondContact O-N 3.5Å; P439-K442 PolarHBondContact O-N 2.82Å; V440-K442 VanDerWaalsContact C-N 3.27Å; V440-K442 PolarHBondContact O-N 3.34Å; K442-N446 WeakPolarHBondContact O-CB 3.34Å; K442-N446 PolarHBondContact O-N 3Å; K442-N446 PolarHBondContact O-ND2 3.3Å
443A46.1Very low37.1Very low26 Ų26101.6 Ų101.622%0.21553%0.531CS..Hα-helixtrans-65.6-42.6175.900000112P439 V440 L447P439-A443 PolarHBondContact O-N 2.92Å; V440-A443 PolarHBondContact O-N 3.38Å; A443-L447 WeakPolarHBondContact O-CB 3.33Å; A443-L447 VanDerWaalsContact O-CD1 3.22Å; A443-L447 WeakPolarHBondContact O-CD1 3.24Å; A443-L447 VanDerWaalsContact O-CG 3.29Å; A443-L447 WeakPolarHBondContact O-CG 3.5Å; A443-L447 PolarHBondContact O-N 2.84Å
444R40.4Very low37Very low81 Ų81100.6 Ų100.631%0.30653%0.529SS..Hα-helixtrans-65.7-46.6175.3-88-178.1148.3-169.1-13.1112.2V440 N446 L447 F448 H719 D721V440-R444 PolarHBondContact O-N 2.82Å; R444-N446 VanDerWaalsContact C-N 3.31Å; R444-N446 PolarHBondContact O-N 3.01Å; R444-L447 PolarHBondContact O-N 3.31Å; R444-F448 HydrophobicContact CB-CD2 4.23Å; R444-F448 HydrophobicContact CB-CE2 4.49Å; R444-F448 HydrophobicContact CG-CD2 4.49Å; R444-F448 HydrophobicContact CG-CE2 4.29Å; R444-F448 WeakPolarHBondContact O-CD2 3.47Å; R444-F448 PolarHBondContact O-N 3.33Å; R444-H719 PolarHBondContact NE-O 2.96Å; R444-H719 PolarHBondContact NH2-O 3.38Å; R444-D721 IonicContact NH2-OD1 3.93Å
445L44Very low36.8Very low99 Ų99100.4 Ų100.452%0.51853%0.528SS..Hα-helixtrans-64-34.4179.8-77.5163.9000112.9L437 E441 L447L437-L445 HydrophobicContact CD1-CD1 3.71Å; L437-L445 HydrophobicContact CD2-CD1 4.01Å; L437-L445 HydrophobicContact CG-CD1 4.49Å; E441-L445 VanDerWaalsContact O-CB 3.23Å; E441-L445 WeakPolarHBondContact O-CB 3.45Å; E441-L445 WeakPolarHBondContact O-CD1 3.48Å; E441-L445 VanDerWaalsContact O-CG 3.23Å; E441-L445 WeakPolarHBondContact O-CG 3.48Å; E441-L445 PolarHBondContact O-N 3.4Å; L445-L447 PolarHBondContact O-N 3.2Å
446N43.5Very low36.5Very low65 Ų6599.3 Ų99.335%0.34853%0.53SS..THydrogen-bonded Turntrans-71.5-11.7175.4-75.9-20.8000113.8K442 R444K442-N446 WeakPolarHBondContact O-CB 3.34Å; K442-N446 PolarHBondContact O-N 3Å; K442-N446 PolarHBondContact O-ND2 3.3Å; R444-N446 VanDerWaalsContact C-N 3.31Å; R444-N446 PolarHBondContact O-N 3.01Å
447L37.3Very low35.8Very low35 Ų35100.2 Ų100.218%0.18354%0.536CS..THydrogen-bonded Turntrans-117.8-22.9-172.8-70.2167000113.8A443 R444 L445 R449 F727A443-L447 WeakPolarHBondContact O-CB 3.33Å; A443-L447 VanDerWaalsContact O-CD1 3.22Å; A443-L447 WeakPolarHBondContact O-CD1 3.24Å; A443-L447 VanDerWaalsContact O-CG 3.29Å; A443-L447 WeakPolarHBondContact O-CG 3.5Å; A443-L447 PolarHBondContact O-N 2.84Å; R444-L447 PolarHBondContact O-N 3.31Å; L445-L447 PolarHBondContact O-N 3.2Å; L447-R449 PolarHBondContact O-N 3.41Å; L447-R449 VanDerWaalsContact O-N 3.08Å; L447-F727 HydrophobicContact CB-CE1 4.13Å; L447-F727 HydrophobicContact CB-CE2 4.21Å; L447-F727 HydrophobicContact CB-CZ 3.44Å; L447-F727 VanDerWaalsContact CB-CZ 3.44Å; L447-F727 HydrophobicContact CD1-CE1 3.5Å; L447-F727 HydrophobicContact CD1-CZ 3.45Å; L447-F727 VanDerWaalsContact CD1-CZ 3.45Å; L447-F727 HydrophobicContact CD2-CZ 3.84Å; L447-F727 HydrophobicContact CG-CE1 4.25Å; L447-F727 HydrophobicContact CG-CZ 3.7Å
448F33.9Very low35Very low132 Ų132100.1 Ų100.158%0.57955%0.552SS**THydrogen-bonded Turntrans-74.213.6179.6-99.4-77.1000115.9R444R444-F448 HydrophobicContact CB-CD2 4.23Å; R444-F448 HydrophobicContact CB-CE2 4.49Å; R444-F448 HydrophobicContact CG-CD2 4.49Å; R444-F448 HydrophobicContact CG-CE2 4.29Å; R444-F448 WeakPolarHBondContact O-CD2 3.47Å; R444-F448 PolarHBondContact O-N 3.33Å
449R32Very low34.2Very low143 Ų143106.7 Ų106.754%0.5458%0.582SS.*THydrogen-bonded Turntrans-98.68.5179.7-78.3-174.4173.7-162.9-8.6115.7S320 L447S320-R449 PolarHBondContact OG-NH1 2.85Å; S320-R449 PolarHBondContact OG-NH2 2.87Å; L447-R449 PolarHBondContact O-N 3.41Å; L447-R449 VanDerWaalsContact O-N 3.08Å
450H27.7Very low33.3Very low136 Ų136107.8 Ų107.863%0.6359%0.592SS**  trans-120.385.9178.8-62.6-55.7000111.6
451S27.3Very low32.4Very low93 Ų93109.3 Ų109.365%0.6561%0.614SS**  trans-108.3115.9150.7164.20000107L453S451-L453 VanDerWaalsContact C-N 3.28Å; S451-L453 PolarHBondContact O-N 3.01Å; S451-L453 VanDerWaalsContact O-N 3.16Å
452P28.6Very low31.5Very low130 Ų130111.8 Ų111.884%0.84463%0.63SS**  trans-86.175.3169.733.3-28.2000108.9
453L25.7Very low30.4Very low152 Ų152118 Ų11880%0.79665%0.652SS**  trans-140.469.3163.9-90.6169.5000109.3S451S451-L453 VanDerWaalsContact C-N 3.28Å; S451-L453 PolarHBondContact O-N 3.01Å; S451-L453 VanDerWaalsContact O-N 3.16Å
454S24Very low29.4Very low106 Ų106126.9 Ų126.974%0.74168%0.682SS**  trans166.1103.7146.6430000109.3
455H26.7Very low28.9Very low171 Ų171130 Ų13079%0.79270%0.703SS**  trans-17774.3140.5-103.8-72.2000108L457H455-L457 PolarHBondContact ND1-O 3.35Å
456C23.1Very low28Very low122 Ų122131.3 Ų131.382%0.82471%0.711SS**SBendtrans-87.6135.5136.9-79.20000105.8
457L23.9Very low27.4Very low165 Ų165135.2 Ų135.286%0.86473%0.732SS**SBendtrans86.5124.8174.6-50.7167.2000115.3H455H455-L457 PolarHBondContact ND1-O 3.35Å
458G24.5Very low27Very low71 Ų71140.6 Ų140.673%0.73276%0.76SS**  trans127.859.4165.100000116.2
459I25.4Very low26.8Very low183 Ų183141.6 Ų141.694%0.93877%0.771SS**  trans-109.2111.9155.9-60.5178.9000108
460S25.3Very low26.8Very low119 Ų119140.1 Ų140.183%0.83278%0.78SS**  trans-154.8138.8161.5560000106.4
461G26.1Very low27Very low62 Ų62141.2 Ų141.264%0.63979%0.789SS**  cis-147-163.7-9.800000105.6
462D25.6Very low27.2Very low145 Ų145144 Ų14478%0.77580%0.797SS**  cis-159.1144.22.4-82.3-40.7000106.3
463Y27.1Very low27.2Very low243 Ų243143.2 Ų143.295%0.95379%0.792SS**  trans-131.2127.1149.9-84.6-80.9000108.1
464Y25.8Very low27.5Very low212 Ų212141.1 Ų141.183%0.83179%0.79SS**  trans-59.6141.4-174.5-80.3-104000115.1
465L28.7Very low27.7Very low145 Ų145144 Ų14476%0.75979%0.793SS**  172.6119.2111.3-93.3156.6000112.3
466N25.9Very low27.9Very low127 Ų127141.4 Ų141.468%0.67979%0.785SS**  trans53.7109.8145-58.1-9.6000121.3
467D30.7Very low28.2Very low148 Ų148141.9 Ų141.979%0.79178%0.78SS**  170.3116.4102.5-86-26.5000112.7
468I29.4Very low28.3Very low148 Ų148139.5 Ų139.576%0.75978%0.776SS**  trans23.5111.5138.8-50.8171.1000119
469D30.2Very low28.3Very low153 Ų153141.4 Ų141.482%0.81877%0.773SS**  167.8134.4107.2-116.6-19.8000112
470P30.5Very low28.4Very low111 Ų111138.5 Ų138.572%0.72176%0.764SS**  trans-112.3132.9175.735.7-23.5000112.9
471L32.3Very low28.3Very low159 Ų159138.6 Ų138.683%0.83277%0.765SS**  trans-159.6118.2160-104.4158000113.6
472N30.9Very low28.7Very low152 Ų152141.1 Ų141.181%0.81377%0.77SS**  trans85.8127.5147.4-81-15.7000124.2
473P30.1Very low28.7Very low114 Ų114140.2 Ų140.274%0.7477%0.769SS**  trans-106.9160.7176.141.1-32.1000114
474S30.8Very low28.5Very low107 Ų107135.5 Ų135.575%0.74876%0.76SS**  trans-179.7130.314657.40000114.1
475M28.7Very low28.4Very low166 Ų166132.1 Ų132.182%0.81876%0.755SS**  trans64.5142.2131.5-72.5-173.9169.500119.6
476D30.1Very low28.2Very low117 Ų117132.1 Ų132.163%0.62676%0.756SS**  cis-166159.113.9-99.5-24.6000111.2
477D30.6Very low28.1Very low133 Ų133132.2 Ų132.271%0.71176%0.761SS**  trans69.6109.9144.5-65.8-14.6000122.1
478C25.3Very low28.1Very low114 Ų114130.4 Ų130.477%0.7776%0.758SS**  82.2145.486.4-78.90000113.4
479V24.8Very low27.9Very low112 Ų112130.7 Ų130.768%0.67976%0.76SS**  cis-179.9146.7-6.1136.30000105.2
480T27Very low27.7Very low122 Ų122132 Ų13275%0.74876%0.758SS**  trans71.1109.4157.554.40000124.6
481S22.7Very low27.3Very low121 Ų121136.1 Ų136.185%0.84677%0.765SS**  64.1154.7109.6-72.90000124.7
482P35.6Very low27.2Very low115 Ų115133.9 Ų133.975%0.74776%0.76SS**  trans-117.4-179.4-138.340.3-27.8000116.2
483V25Very low26.9Very low126 Ų126134.5 Ų134.576%0.76476%0.758SS**  trans153.9129137.4161.90000115.8
484L24.1Very low26.8Very low143 Ų143138.4 Ų138.475%0.74977%0.766SS**  trans58.6122.1146.1-71166.9000126.7
485L22.1Very low26.4Very low142 Ų142138.4 Ų138.474%0.74377%0.766SS**  66.7137.8125.1-98.8153.4000124.6
486D26.3Very low26.6Very low144 Ų144136.1 Ų136.177%0.7776%0.763SS**  trans103.1134.5154.9-72.1-31000122.1
487T22.6Very low26.4Very low129 Ų129134.8 Ų134.879%0.79177%0.769SS**  trans-92.3-168-163.550.20000113
488P31.9Very low26.1Very low110 Ų110133.5 Ų133.571%0.71477%0.77SS**  cis-130.8179.6-32.423.5-0.9000112.6
489L24.7Very low26.1Very low154 Ų154135.2 Ų135.281%0.80677%0.77SS**  trans176.3122.1139.6-93.9165.4000114.8
490K25Very low26.2Very low181 Ų181139.4 Ų139.479%0.78778%0.779SS**  trans38.8113.1141.9-70.3177.7177.9176.50123.9
491F22Very low26.1Very low197 Ų197142.5 Ų142.586%0.86478%0.783SS**  13.9149.9126.4-69.9-67.6000121.3
492P30.6Very low26.5Very low112 Ų112145.6 Ų145.673%0.72778%0.781SS**  -154.7160.465.135.3-11.4000121.2
493H24.9Very low26.2Very low165 Ų165145.6 Ų145.676%0.76478%0.775SS**  trans34.5122.5146-63.6-72000121.4
494H27.4Very low26.2Very low197 Ų197146.3 Ų146.391%0.91278%0.784SS**  -179.3138.9110.5-89.2-69.7000111.2
495S23.7Very low26.4Very low107 Ų107147 Ų14775%0.74878%0.78SS**  trans-138.8144165.7165.60000103.8
496P32.5Very low26.8Very low117 Ų117147.3 Ų147.376%0.7678%0.778SS**  -152.3159.156.137.5-14.1000119.8
497A25.2Very low26.8Very low90 Ų90149.2 Ų149.274%0.74479%0.787SS**  trans42127.114400000122.7
498S25.5Very low27Very low105 Ų105148.5 Ų148.573%0.73478%0.782SS**  trans111.7112.5131.474.10000119.8
499I24.8Very low26.8Very low150 Ų150154.9 Ų154.977%0.76979%0.792SS**  trans72.6115135.6-57.1163.3000118.5
500F26.5Very low26.8Very low200 Ų200154 Ų15488%0.87779%0.788SS**  -156.2119.7123.3-120.2-82.8000112.3
501K25Very low27Very low188 Ų188155.6 Ų155.682%0.81780%0.796SS**  trans-80.4142.8163.8-93.9176.2171.91740109.9
502K30.7Very low27.2Very low185 Ų185155 Ų15580%0.80480%0.796SS**  trans-144.6106.4144.4-94.5-175.6178.8175.10106.3
503N29.1Very low26.8Very low116 Ų116154.5 Ų154.562%0.6280%0.795SS**  91.4108.284.6-86.9-13.3000112
504C26.3Very low26.8Very low141 Ų141153.8 Ų153.895%0.95380%0.801SS**  -139.4126.4125.3-88.90000107.7
505K28.4Very low26.5Very low156 Ų156153 Ų15368%0.67880%0.798SS**  trans-100.3161.1-174.6-71.6179.9174.4177.90110.7
506H29.9Very low26.7Very low150 Ų150153.6 Ų153.669%0.69480%0.802SS**  trans99.897148.9-63.8-60.3000118.3
507L26.6Very low26.2Very low184 Ų184157 Ų15796%0.96381%0.808SS**  -155.7112.9106.1-105.1147.5000109.6
508T25.5Very low26.3Very low113 Ų113158.5 Ų158.569%0.69381%0.813SS**  trans-99.4141.3175.125.50000110.1
509R27.6Very low26.2Very low245 Ų245161.1 Ų161.193%0.92582%0.819SS**  trans-144.6102146-114.1179.6-179.7146.60.1110.3
510N26.7Very low26.1Very low135 Ų135162 Ų16272%0.72282%0.824SS**  trans16.3128.2146.1-55.4-15.4000119.6
511F27.3Very low26Very low215 Ų215157.9 Ų157.994%0.94382%0.817SS**  -154.8144.7107.9-101.8-76.9000110.8
512H27.7Very low25.9Very low185 Ų185153.5 Ų153.586%0.85682%0.816SS**  trans-82.8157.7-170.8-113.4-85000113.5
513S21.2Very low25.5Very low101 Ų101152.9 Ų152.971%0.70682%0.816SS**  trans-61.9155-178.5-36.20000117.2
514V26Very low25.2Very low149 Ų149153 Ų15390%0.90382%0.821SS**  trans-137.3128.2142.51770000108.4
515E20.2Very low25Very low182 Ų182152 Ų15285%0.8581%0.806SS**  trans-78.6143.4173.3-65.8169.8147.100111.1
516S27.3Very low24.7Very low119 Ų119151.6 Ų151.683%0.83281%0.81SS**  trans-165.8134.9140.859.40000111.5
517E22Very low24.4Very low189 Ų189154 Ų15488%0.88381%0.814SS**  trans-55.1142.5-179.7-58.4165.6135.600114.6
518S27.4Very low24.3Very low121 Ų121149.1 Ų149.185%0.84680%0.796SS**  -172.7128.6129.5390000111.2
519N23.2Very low24.1Very low160 Ų160148.6 Ų148.686%0.85680%0.797SS**  trans-63.5131.5172.1-71.1-62.6000111.4
520L24.6Very low24Very low168 Ų168142.3 Ų142.388%0.8879%0.788SS**  trans-162.1137.8141.7-127.883000108.6A522L520-A522 PolarHBondContact O-N 2.82Å
521P23.6Very low23.9Very low114 Ų114142.3 Ų142.374%0.7479%0.787SS**  trans-77.2128.8-172.830.4-29.7000110.7Q523P521-Q523 PolarHBondContact O-N 3.04Å; P521-Q523 VanDerWaalsContact O-N 3.08Å
522A22.9Very low23.8Very low95 Ų95137.6 Ų137.679%0.78578%0.779SS**  trans-56.4111.6172.800000110.3L520 T524L520-A522 PolarHBondContact O-N 2.82Å; A522-T524 PolarHBondContact O-N 3.42Å
523Q23Very low23.5Very low173 Ų173133.7 Ų133.781%0.80877%0.773SS**  trans-71107.8162.9-72.2-179.5-2.900107.7P521 L525P521-Q523 PolarHBondContact O-N 3.04Å; P521-Q523 VanDerWaalsContact O-N 3.08Å; Q523-L525 VanDerWaalsContact C-N 3.34Å; Q523-L525 PolarHBondContact O-N 3.09Å
524T22.2Very low23.6Very low118 Ų118136.7 Ų136.772%0.72478%0.778SS**  trans-69.590.9168.8-54.90000109A522 L526A522-T524 PolarHBondContact O-N 3.42Å; T524-L526 HydrophobicContact CG2-CD1 4.12Å; T524-L526 HydrophobicContact CG2-CG 4.01Å
525L22.3Very low23.4Very low120 Ų120137.4 Ų137.463%0.62877%0.771SS**  trans-9298.5159.7-74.4175.6000108.1Q523 Y527Q523-L525 VanDerWaalsContact C-N 3.34Å; Q523-L525 PolarHBondContact O-N 3.09Å; L525-Y527 PolarHBondContact O-N 3.18Å
526L22.3Very low23.7Very low147 Ų147136.6 Ų136.677%0.7777%0.772SS**  trans-78.789.3167.2-82.8160.7000108.8T524T524-L526 HydrophobicContact CG2-CD1 4.12Å; T524-L526 HydrophobicContact CG2-CG 4.01Å
527Y22.6Very low23.5Very low200 Ų200138 Ų13878%0.78477%0.769SS**  trans-105.493.3151.5-91.4-83.7000107.5L525L525-Y527 PolarHBondContact O-N 3.18Å
528S23.7Very low23.5Very low82 Ų82134.2 Ų134.257%0.57376%0.764SS**  trans-9790.3169.952.40000109.4
529S23.3Very low23.3Very low103 Ų103132.7 Ų132.772%0.7276%0.759SS**  trans-97.2123.4150.8-79.80000107.7L531S529-L531 PolarHBondContact O-N 3.07Å; S529-L531 VanDerWaalsContact O-N 3.13Å
530P24.1Very low23.3Very low113 Ų113130.2 Ų130.273%0.73475%0.753SS**  trans-79.898.9176.330.6-28.5000108.9C532P530-C532 PolarHBondContact O-N 3.23Å
531L24.9Very low23.3Very low135 Ų135131.2 Ų131.271%0.70775%0.75SS**  trans-81.5108.3164.6-99.3153.4000108.7S529 S533S529-L531 PolarHBondContact O-N 3.07Å; S529-L531 VanDerWaalsContact O-N 3.13Å; L531-S533 PolarHBondContact O-N 2.9Å
532C24.3Very low23.2Very low115 Ų115134.6 Ų134.678%0.77776%0.756SS**  trans-66.4112168.8-165.40000108.9P530P530-C532 PolarHBondContact O-N 3.23Å
533S21.4Very low23.4Very low103 Ų103138.2 Ų138.272%0.7276%0.756SS**  trans-88.3111.7170.1-159.20000108.3L531L531-S533 PolarHBondContact O-N 2.9Å
534M24.2Very low23.3Very low164 Ų164141 Ų14181%0.80876%0.759SS**  trans-113.1109.6157.6-73.7-145.974.800108.5
535H22Very low23.5Very low164 Ų164144.5 Ų144.576%0.75977%0.765SS**  trans-54133.2158.4-89.956.7000109.6
536L25.7Very low23.5Very low166 Ų166145.9 Ų145.987%0.86977%0.773SS**  trans-156.1143145.6-103.3161.6000110.5
537N23.1Very low23.7Very low147 Ų147146.9 Ų146.979%0.78678%0.779SS**  trans-70.7158.8-158.7-79.2-40.4000116.6
538S23.6Very low23.8Very low111 Ų111146.7 Ų146.778%0.77678%0.782SS**  trans-46.6139.8165.154.60000116.4
539A22Very low23.8Very low88 Ų88150.3 Ų150.373%0.72780%0.795SS**  175.6128.3119.300000113.7
540C23.6Very low24Very low108 Ų108153.5 Ų153.573%0.7380%0.802SS**  trans65.4151.7147.8-68.70000119.3
541K23.6Very low24Very low190 Ų190154.6 Ų154.683%0.82681%0.807SS**  cis-165.8161-7.5-111.9169-176.4175.90106.8
542H23.5Very low23.9Very low185 Ų185153.2 Ų153.286%0.85681%0.808SS**  trans-37.6145.7179.8-59.7-23.1000118.2
543Q25.2Very low23.9Very low171 Ų171155.7 Ų155.780%0.79981%0.813SS**  -163.6138.7116.4-110.2171.3-1.400113.2
544R22.2Very low24.3Very low230 Ų230158 Ų15887%0.86882%0.817SS**  trans-70.4143.3177.4-69.7169168.3141.1-3.8110.4
545F25.3Very low24.2Very low193 Ų193156.1 Ų156.185%0.84682%0.82SS**  trans-139.1125.2152.3-99.7-80.6000111.3
546D22.9Very low24.5Very low148 Ų148153.4 Ų153.479%0.79182%0.82SS**  trans-69.3124176.4-71.5-58.6000111.1
547N27.8Very low24.5Very low169 Ų169151 Ų15190%0.90481%0.814SS**  trans-106.181.7163.3-87.1-13.7000110.1L549N547-L549 PolarHBondContact O-N 3.38Å
548K23.2Very low24.5Very low195 Ų195148.8 Ų148.885%0.84882%0.816SS**  trans-80.692.8149.9-84.5-179.8175.4174.40107.6
549L24.4Very low24.6Very low159 Ų159149.8 Ų149.883%0.83282%0.817SS**  trans175.172.9154.2-101.8149.5000111.1N547N547-L549 PolarHBondContact O-N 3.38Å
550I27.3Very low24.7Very low169 Ų169152.6 Ų152.687%0.86782%0.82SS**  trans-140.889.6146.4-55.6-177.1000105.4
551T23.6Very low24.9Very low137 Ų137152.7 Ų152.784%0.8482%0.822SS**  trans-142.272.2175.6-22.80000108.8
552S23.5Very low25.1Very low105 Ų105151.5 Ų151.573%0.73482%0.823SS**  trans178.694.9151.854.20000107.7
553L24.5Very low25.3Very low168 Ų168150.7 Ų150.788%0.8882%0.82SS**SBendtrans175.4132.7147.5-90155000106.6
554N29.3Very low25.6Very low151 Ų151146.4 Ų146.481%0.80781%0.805SS**  trans92.675.7175.8-52.9-15.3000117
555S22.4Very low25.9Very low125 Ų125138.5 Ų138.587%0.87478%0.783SS**  trans-71.4105.5136.948.90000109.1
556S28Very low26.3Very low107 Ų107134.2 Ų134.275%0.74877%0.773SS**  trans-140.1145.8158.4-97.60000109.3
557P25.3Very low26.8Very low115 Ų115133.5 Ų133.575%0.74777%0.765SS**  trans-74.8149.7-168.632.1-32.9000111.1V559P557-V559 PolarHBondContact O-N 2.81Å
558A23.8Very low27.2Very low101 Ų101127.9 Ų127.984%0.83574%0.738SS**  trans-22.4106.1178.900000115.2
559V26.1Very low27.9Very low132 Ų132122.7 Ų122.780%0.872%0.719SS**  trans-80.3115.1154.8-171.20000105.5P557 S561P557-V559 PolarHBondContact O-N 2.81Å; V559-S561 PolarHBondContact O-N 3.36Å
560D24.2Very low28.7Very low146 Ų146121.1 Ų121.178%0.78171%0.708SS**  trans-49.4113170.8-89.8-34000108.6L562D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 3.05Å
561S26.5Very low29.2Very low110 Ų110119.2 Ų119.277%0.76970%0.699SS**  trans-68.892.1174.2-62.20000107.4V559 Q563V559-S561 PolarHBondContact O-N 3.36Å; S561-Q563 PolarHBondContact O-N 3.43Å
562L27.6Very low30.1Very low165 Ų165115 Ų11586%0.86467%0.671SS**  trans-60.296.1161-80.9163.4000106.7D560 V564D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 3.05Å; L562-V564 PolarHBondContact O-N 2.82Å
563Q27.9Very low31Very low168 Ų168114.5 Ų114.579%0.78567%0.668SS**  trans-60.3111.1170.7-70.6-175.9-13.100107.1S561 T565S561-Q563 PolarHBondContact O-N 3.43Å; Q563-T565 VanDerWaalsContact C-N 3.33Å; Q563-T565 PolarHBondContact O-N 3.44Å
564V31.5Very low31.8Very low81 Ų81111.6 Ų111.649%0.49165%0.653SS.*  trans-57103.4162.8176.50000105.8L562L562-V564 PolarHBondContact O-N 2.82Å
565T29Very low32.2Very low65 Ų65106.9 Ų106.940%0.39963%0.631SS.*  trans-65.9146.5179.855.30000108.7Q563 E567 S568Q563-T565 VanDerWaalsContact C-N 3.33Å; Q563-T565 PolarHBondContact O-N 3.44Å; T565-E567 PolarHBondContact O-N 3.01Å; T565-S568 PolarHBondContact O-N 3.02Å
566T32.9Very low32.9Very low103 Ų103108.1 Ų108.163%0.63262%0.623SS**Hα-helixtrans-52.7-25.5173.242.40000112.4S568 L569 E570T566-S568 VanDerWaalsContact C-N 3.32Å; T566-S568 PolarHBondContact O-N 3.15Å; T566-L569 PolarHBondContact O-N 3.28Å; T566-L569 VanDerWaalsContact O-N 3.15Å; T566-E570 PolarHBondContact O-N 3.18Å
567E33.7Very low33.3Very low133 Ų133105.6 Ų105.662%0.62161%0.606SS**Hα-helixtrans-61.1-33.1173.4-69.1177.7154.300113.8T565 L569 E570 N571T565-E567 PolarHBondContact O-N 3.01Å; E567-L569 VanDerWaalsContact C-N 3.29Å; E567-L569 PolarHBondContact O-N 3.41Å; E567-E570 PolarHBondContact O-N 2.91Å; E567-N571 PolarHBondContact O-N 2.75Å; E567-N571 PolarHBondContact O-ND2 3.34Å
568S36.8Very low33.9Very low50 Ų50101.5 Ų101.535%0.3558%0.577SS.*Hα-helixtrans-71.5-27.8176.7-59.70000112.1T565 T566T565-S568 PolarHBondContact O-N 3.02Å; T566-S568 VanDerWaalsContact C-N 3.32Å; T566-S568 PolarHBondContact O-N 3.15Å
569L37.8Very low34.6Very low86 Ų8699.5 Ų99.545%0.4556%0.557SS.*Hα-helixtrans-84.2-30.6174.7-84.9148.6000112.2T566 E567 N571 L572T566-L569 PolarHBondContact O-N 3.28Å; T566-L569 VanDerWaalsContact O-N 3.15Å; E567-L569 VanDerWaalsContact C-N 3.29Å; E567-L569 PolarHBondContact O-N 3.41Å; L569-N571 VanDerWaalsContact C-N 3.3Å; L569-N571 PolarHBondContact O-N 3.07Å; L569-L572 HydrophobicContact CD2-CD1 4.15Å; L569-L572 WeakPolarHBondContact O-CB 3.11Å; L569-L572 PolarHBondContact O-N 3.3Å; L569-L572 VanDerWaalsContact O-N 3.1Å
570E40.4Very low35.2Very low127 Ų12798 Ų9859%0.59355%0.552SS**Hα-helixtrans-68.4-27.8177.1-79.4-179.8176.300112.8T566 E567 L572 S573T566-E570 PolarHBondContact O-N 3.18Å; E567-E570 PolarHBondContact O-N 2.91Å; E570-L572 PolarHBondContact O-N 3.44Å; E570-S573 VanDerWaalsContact O-CB 3.32Å; E570-S573 WeakPolarHBondContact O-CB 3.39Å; E570-S573 PolarHBondContact O-N 2.92Å; E570-S573 VanDerWaalsContact O-N 3.16Å; E570-S573 PolarHBondContact O-OG 2.82Å
571N39.5Very low36.2Very low128 Ų12896.1 Ų96.168%0.68454%0.539SS*.THydrogen-bonded Turntrans-68.1-11.5171.4-75.4-35.1000113.8E567 L569 S573E567-N571 PolarHBondContact O-N 2.75Å; E567-N571 PolarHBondContact O-ND2 3.34Å; L569-N571 VanDerWaalsContact C-N 3.3Å; L569-N571 PolarHBondContact O-N 3.07Å; N571-S573 VanDerWaalsContact C-N 3.32Å
572L41.8Very low37.4Very low48 Ų4891.8 Ų91.825%0.25151%0.507SS..THydrogen-bonded Turntrans-85.7-0.8173.6-64.2168000113.3L569 E570 N574 P575 L578 F636L569-L572 HydrophobicContact CD2-CD1 4.15Å; L569-L572 WeakPolarHBondContact O-CB 3.11Å; L569-L572 PolarHBondContact O-N 3.3Å; L569-L572 VanDerWaalsContact O-N 3.1Å; E570-L572 PolarHBondContact O-N 3.44Å; L572-N574 PolarHBondContact O-N 2.82Å; L572-P575 WeakPolarHBondContact O-CD 3.45Å; L572-L578 HydrophobicContact CD2-CD2 3.9Å; L572-F636 HydrophobicContact CD2-CD2 4.38Å
573S41.3Very low38.5Very low96 Ų9687.3 Ų87.367%0.67148%0.484SS*.SBendtrans-64.2-6-178.3-49.70000114.2E570 N571E570-S573 VanDerWaalsContact O-CB 3.32Å; E570-S573 WeakPolarHBondContact O-CB 3.39Å; E570-S573 PolarHBondContact O-N 2.92Å; E570-S573 VanDerWaalsContact O-N 3.16Å; E570-S573 PolarHBondContact O-OG 2.82Å; N571-S573 VanDerWaalsContact C-N 3.32Å
574N42.2Very low39.9Very low106 Ų10680.8 Ų80.857%0.56746%0.461SS*.  trans-131.571.2176.9-141.95.7000111.5L572 E576 S577 L578L572-N574 PolarHBondContact O-N 2.82Å; N574-E576 VanDerWaalsContact C-N 3.3Å; N574-E576 PolarHBondContact O-N 3.21Å; N574-S577 WeakPolarHBondContact O-CB 3.48Å; N574-S577 PolarHBondContact O-N 2.91Å; N574-L578 PolarHBondContact O-N 2.85Å
575P36.8Very low42.1Very low53 Ų5378.8 Ų78.834%0.34445%0.449SS..Hα-helixtrans-65.1-29.2-172.123.7-31.3000113.3L572 L578 S579 E633L572-P575 WeakPolarHBondContact O-CD 3.45Å; P575-L578 PolarHBondContact O-N 3.47Å; P575-S579 WeakPolarHBondContact O-CB 3.43Å; P575-S579 PolarHBondContact O-N 3.14Å; P575-E633 HydrophobicContact CB-CG 4.49Å
576E37.2Very low44.9Very low150 Ų15077.2 Ų77.270%0.70144%0.44SS*.Hα-helixtrans-65.3-40.7176-68.6-167.715900112N574 S579N574-E576 VanDerWaalsContact C-N 3.3Å; N574-E576 PolarHBondContact O-N 3.21Å; E576-S579 PolarHBondContact O-OG 3.49Å
577S37.7Very low47.6Very low55 Ų5574.7 Ų74.739%0.38542%0.421SS..Hα-helixtrans-65.2-45174.9175.50000111.4N574 S580N574-S577 WeakPolarHBondContact O-CB 3.48Å; N574-S577 PolarHBondContact O-N 2.91Å; S577-S580 PolarHBondContact O-N 3.39Å; S577-S580 PolarHBondContact O-OG 2.85Å
578L37.2Very low50.6Low29 Ų2969 Ų6915%0.15239%0.394CS..Hα-helixtrans-66-40.2-179.4-134.594.1000111.1L572 N574 P575 S580 Q581 L582L572-L578 HydrophobicContact CD2-CD2 3.9Å; N574-L578 PolarHBondContact O-N 2.85Å; P575-L578 PolarHBondContact O-N 3.47Å; L578-S580 PolarHBondContact O-N 3.06Å; L578-Q581 PolarHBondContact O-N 3.32Å; L578-L582 HydrophobicContact CD2-CD1 4.38Å; L578-L582 WeakPolarHBondContact O-CB 3.19Å; L578-L582 PolarHBondContact O-N 3.23Å
579S38.3Very low53.2Low58 Ų5866.8 Ų66.841%0.40638%0.379SS..Hα-helixtrans-58.5-32.5179.578.50000113.6P575 E576P575-S579 WeakPolarHBondContact O-CB 3.43Å; P575-S579 PolarHBondContact O-N 3.14Å; E576-S579 PolarHBondContact O-OG 3.49Å
580S38.6Very low55.9Low100 Ų10062.8 Ų62.870%0.69936%0.357SS*.Hα-helixtrans-78.1-24.417972.70000113.4S577 L578S577-S580 PolarHBondContact O-N 3.39Å; S577-S580 PolarHBondContact O-OG 2.85Å; L578-S580 PolarHBondContact O-N 3.06Å
581Q45.1Very low58.4Low108 Ų10856.7 Ų56.751%0.50533%0.329SS..Hα-helixtrans-101.2-27.3-174.5-159168.5-3.400112.3L578 L583 N598L578-Q581 PolarHBondContact O-N 3.32Å; Q581-L583 PolarHBondContact O-N 2.89Å; Q581-N598 PolarHBondContact NE2-OD1 3.45Å
582L51.7Low61Low18 Ų1851 Ų519%0.09430%0.298CS..SBendtrans-82.9105.4-179.4-156.582.9000109.3L578 G584 L589 L593 L594 P597 F636L578-L582 HydrophobicContact CD2-CD1 4.38Å; L578-L582 WeakPolarHBondContact O-CB 3.19Å; L578-L582 PolarHBondContact O-N 3.23Å; L582-G584 PolarHBondContact O-N 3.11Å; L582-L589 HydrophobicContact CD2-CD1 3.26Å; L582-L589 HydrophobicContact CG-CD1 3.75Å; L582-L593 WeakPolarHBondContact CD1-O 3.47Å; L582-L594 HydrophobicContact CD1-CD2 4.06Å; L582-L594 HydrophobicContact CD2-CD2 3.53Å; L582-L594 HydrophobicContact CG-CD2 4.3Å; L582-P597 HydrophobicContact CD1-CB 4.4Å; L582-F636 HydrophobicContact CD2-CE1 3.92Å; L582-F636 HydrophobicContact CD2-CE2 4.16Å; L582-F636 HydrophobicContact CD2-CZ 3.46Å; L582-F636 VanDerWaalsContact CD2-CZ 3.46Å
583L51.8Low63.2Low72 Ų7249.7 Ų49.738%0.37729%0.292SS..  trans-71120.2-178.4-62.8175.9000110.5L158 Q581 L589L158-L583 HydrophobicContact CD1-CB 3.94Å; L158-L583 HydrophobicContact CD1-CD2 4.43Å; L158-L583 HydrophobicContact CD2-CD1 4.37Å; L158-L583 HydrophobicContact CD2-CD2 3.7Å; L158-L583 HydrophobicContact CD2-CG 4.42Å; Q581-L583 PolarHBondContact O-N 2.89Å; L583-L589 WeakPolarHBondContact O-CD2 3.26Å
584G57Low65.4Low30 Ų3046.1 Ų46.131%0.30927%0.265SS..SBendtrans128.4178.8165.100000114.9D137 L582D137-G584 WeakPolarHBondContact OD1-CA 3.42Å; L582-G584 PolarHBondContact O-N 3.11Å
585T77.7Confident67.6Low40 Ų4043.5 Ų43.525%0.24525%0.25CS..  trans-83.7123.9171.8-55.10000108.8K139 E587 Y588K139-T585 VanDerWaalsContact CD-OG1 3.22Å; K139-T585 WeakPolarHBondContact CD-OG1 3.29Å; K139-T585 PolarHBondContact NZ-OG1 2.95Å; T585-E587 PolarHBondContact O-N 2.77Å; T585-Y588 HydrophobicContact CG2-CD2 3.96Å; T585-Y588 HydrophobicContact CG2-CE2 3.99Å; T585-Y588 PolarHBondContact O-N 2.8Å
586P87Confident69.8Low32 Ų3246 Ų4621%0.20826%0.258CS..G310 helixtrans-56.6-32.4-160.817.7-31.3000114.3Y588 L589 V632 F636 I639P586-Y588 VanDerWaalsContact C-N 3.29Å; P586-Y588 PolarHBondContact O-N 3.44Å; P586-L589 PolarHBondContact O-N 3.18Å; P586-V632 HydrophobicContact CB-CG1 3.92Å; P586-V632 HydrophobicContact CG-CG1 4.2Å; P586-V632 HydrophobicContact CG-CG2 4.39Å; P586-F636 HydrophobicContact CB-CD1 4.35Å; P586-F636 HydrophobicContact CB-CE1 3.45Å; P586-F636 VanDerWaalsContact CB-CE1 3.45Å; P586-F636 HydrophobicContact CB-CZ 4.03Å; P586-I639 VanDerWaalsContact O-CD1 3.26Å; P586-I639 WeakPolarHBondContact O-CD1 3.1Å
587E91Very high71.4Confident49 Ų4941.2 Ų41.223%0.22924%0.239CC..G310 helixtrans-67.5-22.9-178.4-59.7179.390.500114.5T585 T625 V635T585-E587 PolarHBondContact O-N 2.77Å; E587-T625 HydrophobicContact CB-CG2 4.06Å; E587-T625 WeakPolarHBondContact OE1-CG2 3.31Å; E587-T625 PolarHBondContact OE1-OG1 3.19Å; E587-V635 HydrophobicContact CG-CG1 4.13Å
588Y94.9Very high73.1Confident13 Ų1344.9 Ų44.95%0.05126%0.255CS..G310 helixtrans-102.30.8-176.8-54.5-90.5000112.6K100 K139 P140 T585 P586 V615 I616 E619 T625K100-Y588 PolarHBondContact NZ-OH 3.02Å; K139-Y588 HydrophobicContact CB-CD1 4.28Å; K139-Y588 HydrophobicContact CB-CD2 3.87Å; K139-Y588 HydrophobicContact CB-CE1 4.32Å; K139-Y588 HydrophobicContact CB-CE2 3.88Å; K139-Y588 HydrophobicContact CB-CG 4.08Å; P140-Y588 VanDerWaalsContact CD-CZ 3.45Å; P140-Y588 VanDerWaalsContact CD-OH 3.26Å; P140-Y588 WeakPolarHBondContact CD-OH 3.31Å; P140-Y588 HydrophobicContact CG-CE1 4.3Å; T585-Y588 HydrophobicContact CG2-CD2 3.96Å; T585-Y588 HydrophobicContact CG2-CE2 3.99Å; T585-Y588 PolarHBondContact O-N 2.8Å; P586-Y588 VanDerWaalsContact C-N 3.29Å; P586-Y588 PolarHBondContact O-N 3.44Å; Y588-V615 HydrophobicContact CD1-CB 3.93Å; Y588-V615 HydrophobicContact CD1-CG1 3.39Å; Y588-V615 HydrophobicContact CE1-CB 4.47Å; Y588-V615 HydrophobicContact CE1-CG1 3.66Å; Y588-V615 HydrophobicContact CG-CG1 4.16Å; Y588-I616 HydrophobicContact CD1-CG1 4.09Å; Y588-I616 HydrophobicContact CE1-CG1 3.93Å; Y588-E619 PolarHBondContact OH-OE2 3.1Å; Y588-T625 HydrophobicContact CE1-CG2 4.39Å
589L92.3Very high74.8Confident5 Ų545.3 Ų45.33%0.02626%0.26CS..  trans-73134.3-177.5-64.1-179.8000111.7L582 L583 P586 L593 L594 W611 F636L582-L589 HydrophobicContact CD2-CD1 3.26Å; L582-L589 HydrophobicContact CG-CD1 3.75Å; L583-L589 WeakPolarHBondContact O-CD2 3.26Å; P586-L589 PolarHBondContact O-N 3.18Å; L589-L593 HydrophobicContact CD2-CD1 4.2Å; L589-L594 HydrophobicContact CB-CD2 4.45Å; L589-L594 HydrophobicContact CD1-CD2 4.04Å; L589-W611 PolarHBondContact O-NE1 3.22Å; L589-F636 HydrophobicContact CD1-CE1 4.15Å
590A94.1Very high76.3Confident1 Ų149.2 Ų49.21%0.00827%0.27CS..  trans-74147.8172.600000110.9E592 L593 V608 W611A590-E592 VanDerWaalsContact CB-CD 3.45Å; A590-E592 HydrophobicContact CB-CG 4.26Å; A590-E592 WeakPolarHBondContact CB-OE1 3.12Å; A590-E592 WeakPolarHBondContact CB-OE2 3.12Å; A590-E592 PolarHBondContact O-N 3.16Å; A590-L593 WeakPolarHBondContact O-CB 3.36Å; A590-L593 PolarHBondContact O-N 3.38Å; A590-V608 HydrophobicContact CB-CB 4.13Å; A590-V608 HydrophobicContact CB-CG1 4.05Å; A590-W611 HydrophobicContact CB-CB 3.95Å; A590-W611 HydrophobicContact CB-CD2 4.28Å; A590-W611 HydrophobicContact CB-CG 3.82Å
591P94.2Very high77.8Confident0 Ų049 Ų490%027%0.269CS..Hα-helixtrans-59.8-34.2-174.822.4-33.1000112.7L593 L594 L595 W611 I639 L640 Y682P591-L593 PolarHBondContact O-N 2.66Å; P591-L594 WeakPolarHBondContact O-CB 3.23Å; P591-L594 PolarHBondContact O-N 2.85Å; P591-L594 VanDerWaalsContact O-N 3.07Å; P591-L595 VanDerWaalsContact O-CG 3.31Å; P591-L595 WeakPolarHBondContact O-CG 3.45Å; P591-L595 PolarHBondContact O-N 2.65Å; P591-W611 HydrophobicContact CG-CE3 4.45Å; P591-W611 HydrophobicContact CG-CH2 4.04Å; P591-W611 HydrophobicContact CG-CZ3 3.95Å; P591-I639 HydrophobicContact CB-CG2 4.13Å; P591-L640 HydrophobicContact CB-CD2 4.34Å; P591-Y682 HydrophobicContact CB-CD2 4.05Å; P591-Y682 HydrophobicContact CB-CE2 3.67Å; P591-Y682 HydrophobicContact CG-CD2 3.98Å; P591-Y682 HydrophobicContact CG-CE2 4.12Å; P591-Y682 HydrophobicContact CG-CG 4.42Å
592E92.3Very high78.9Confident7 Ų744 Ų443%0.03325%0.245CC..Hα-helixtrans-62.4-27.4177.560.4-93-148.900114.2A590 L594 H596 A602 V608 Q684 R687A590-E592 VanDerWaalsContact CB-CD 3.45Å; A590-E592 HydrophobicContact CB-CG 4.26Å; A590-E592 WeakPolarHBondContact CB-OE1 3.12Å; A590-E592 WeakPolarHBondContact CB-OE2 3.12Å; A590-E592 PolarHBondContact O-N 3.16Å; E592-L594 VanDerWaalsContact C-N 3.35Å; E592-H596 PolarHBondContact O-N 3.38Å; E592-A602 HydrophobicContact CB-CB 4.2Å; E592-A602 HydrophobicContact CG-CB 4.42Å; E592-V608 HydrophobicContact CG-CG1 4.12Å; E592-V608 WeakPolarHBondContact OE1-CG1 3.49Å; E592-Q684 VanDerWaalsContact CB-NE2 3.27Å; E592-Q684 HydrophobicContact CG-CG 4.26Å; E592-Q684 WeakPolarHBondContact OE1-CG 3.46Å; E592-R687 IonicContact OE1-CZ 2.75Å; E592-R687 IonicContact OE1-NH1 3.87Å; E592-R687 PolarHBondContact OE1-NH1 2.99Å; E592-R687 IonicContact OE1-NH2 3.81Å; E592-R687 IonicContact OE2-CZ 3.06Å; E592-R687 IonicContact OE2-NH1 2.89Å; E592-R687 PolarHBondContact OE2-NH1 3.32Å; E592-R687 IonicContact OE2-NH2 2.63Å; E592-R687 PolarHBondContact OE2-NH2 3.21Å
593L88.5Confident79.7Confident22 Ų2244.4 Ų44.412%0.11525%0.25CC..Hα-helixtrans-74.8-28.9175.9-62.2177.4000111.4L582 L589 A590 P591 P597 C603 V608L582-L593 WeakPolarHBondContact CD1-O 3.47Å; L589-L593 HydrophobicContact CD2-CD1 4.2Å; A590-L593 WeakPolarHBondContact O-CB 3.36Å; A590-L593 PolarHBondContact O-N 3.38Å; P591-L593 PolarHBondContact O-N 2.66Å; L593-P597 WeakPolarHBondContact O-CA 3.44Å; L593-C603 HydrophobicContact CD2-CB 4.36Å; L593-V608 HydrophobicContact CD1-CB 4.3Å; L593-V608 HydrophobicContact CD1-CG1 4.12Å; L593-V608 HydrophobicContact CD2-CG1 4.15Å; L593-V608 HydrophobicContact CG-CG1 4.05Å
594L88.3Confident80.8Confident20 Ų2043.5 Ų43.511%0.10525%0.245CC..Hα-helixtrans-77.9-42175.4-57.2-177.9000111.7L582 L589 P591 E592 F636 I639 L640L582-L594 HydrophobicContact CD1-CD2 4.06Å; L582-L594 HydrophobicContact CD2-CD2 3.53Å; L582-L594 HydrophobicContact CG-CD2 4.3Å; L589-L594 HydrophobicContact CB-CD2 4.45Å; L589-L594 HydrophobicContact CD1-CD2 4.04Å; P591-L594 WeakPolarHBondContact O-CB 3.23Å; P591-L594 PolarHBondContact O-N 2.85Å; P591-L594 VanDerWaalsContact O-N 3.07Å; E592-L594 VanDerWaalsContact C-N 3.35Å; L594-F636 HydrophobicContact CD1-CB 4.18Å; L594-F636 HydrophobicContact CD1-CD1 4.08Å; L594-F636 HydrophobicContact CD1-CG 4.32Å; L594-F636 HydrophobicContact CD2-CD1 3.87Å; L594-F636 HydrophobicContact CD2-CE1 3.92Å; L594-F636 HydrophobicContact CD2-CG 4.27Å; L594-F636 HydrophobicContact CD2-CZ 4.38Å; L594-I639 HydrophobicContact CD1-CB 4Å; L594-I639 HydrophobicContact CD1-CD1 4.28Å; L594-I639 HydrophobicContact CD1-CG2 3.66Å; L594-L640 HydrophobicContact CB-CD2 4.03Å; L594-L640 HydrophobicContact CD1-CD2 4.13Å; L594-L640 HydrophobicContact CD1-CG 4.03Å
595L87.6Confident82.3Confident51 Ų5142.7 Ų42.727%0.26724%0.235SC..Hα-helixtrans-74.6-34.9-177.5-65.1164.5000112.6P591 P597 L640 Y682P591-L595 VanDerWaalsContact O-CG 3.31Å; P591-L595 WeakPolarHBondContact O-CG 3.45Å; P591-L595 PolarHBondContact O-N 2.65Å; L595-P597 VanDerWaalsContact C-CD 3.5Å; L595-L640 HydrophobicContact CD1-CD2 4.4Å; L595-L640 HydrophobicContact CD2-CD2 3.77Å; L595-L640 HydrophobicContact CG-CD2 3.82Å; L595-Y682 HydrophobicContact CD1-CE1 4.15Å; L595-Y682 WeakPolarHBondContact CD1-OH 3.32Å
596H83.6Confident83.1Confident107 Ų10742.9 Ų42.950%0.49524%0.236SC..  trans-133.261.2-172.4-55.3-46.6000111.9E592 N598 S599 A602E592-H596 PolarHBondContact O-N 3.38Å; H596-N598 PolarHBondContact O-N 2.87Å; H596-S599 WeakPolarHBondContact O-CB 3.5Å; H596-S599 PolarHBondContact O-N 3.16Å; H596-A602 HydrophobicContact CB-CB 4.25Å
597P71Confident83.5Confident49 Ų4941.3 Ų41.332%0.31823%0.226SC..THydrogen-bonded Turntrans-61-23.8-173.124.2-34.5000113.7L582 L593 L595L582-P597 HydrophobicContact CD1-CB 4.4Å; L593-P597 WeakPolarHBondContact O-CA 3.44Å; L595-P597 VanDerWaalsContact C-CD 3.5Å
598N72.7Confident83.6Confident132 Ų13239.3 Ų39.371%0.70622%0.217SC*.THydrogen-bonded Turntrans-100.8-1.3178-61.3-37.9000113.4Q581 H596 K600Q581-N598 PolarHBondContact NE2-OD1 3.45Å; H596-N598 PolarHBondContact O-N 2.87Å; N598-K600 PolarHBondContact O-N 3.11Å
599S74.1Confident83.6Confident38 Ų3838.7 Ų38.727%0.26622%0.215SC..  trans-79.8110.6179178.20000110.1H596 S601 A602 C603H596-S599 WeakPolarHBondContact O-CB 3.5Å; H596-S599 PolarHBondContact O-N 3.16Å; S599-S601 PolarHBondContact O-N 3.14Å; S599-S601 PolarHBondContact OG-N 2.9Å; S599-S601 PolarHBondContact OG-OG 3.49Å; S599-A602 PolarHBondContact O-N 2.92Å; S599-A602 PolarHBondContact OG-N 3.42Å; S599-C603 PolarHBondContact O-N 3.17Å; S599-C603 PolarHBondContact O-SG 3.49Å
600K68.8Low83.9Confident139 Ų13938.9 Ų38.960%0.60422%0.215SC*.Hα-helixtrans-59.3-33.3173.9-156.2170.4-171.8175.60112.3N598 C603 D604N598-K600 PolarHBondContact O-N 3.11Å; K600-C603 PolarHBondContact O-N 2.93Å; K600-D604 WeakPolarHBondContact CG-OD2 3.25Å; K600-D604 VanDerWaalsContact O-CB 3.23Å; K600-D604 WeakPolarHBondContact O-CB 3.38Å; K600-D604 PolarHBondContact O-N 2.92Å
601S71Confident84.1Confident97 Ų9738.8 Ų38.868%0.67822%0.215SC*.Hα-helixtrans-71.4-32.1179.184.20000113S599S599-S601 PolarHBondContact O-N 3.14Å; S599-S601 PolarHBondContact OG-N 2.9Å; S599-S601 PolarHBondContact OG-OG 3.49Å
602A67.1Low84.2Confident2 Ų239 Ų392%0.01722%0.216CC..Hα-helixtrans-73.1-44.2174.400000110.4E592 H596 S599 D604 S605E592-A602 HydrophobicContact CB-CB 4.2Å; E592-A602 HydrophobicContact CG-CB 4.42Å; H596-A602 HydrophobicContact CB-CB 4.25Å; S599-A602 PolarHBondContact O-N 2.92Å; S599-A602 PolarHBondContact OG-N 3.42Å; A602-D604 VanDerWaalsContact C-N 3.31Å; A602-D604 PolarHBondContact O-N 3.09Å; A602-S605 WeakPolarHBondContact O-CB 3.42Å; A602-S605 PolarHBondContact O-N 3.4Å
603C68.3Low84.5Confident27 Ų2738.7 Ų38.718%0.18222%0.215CC..Hα-helixtrans-71.6-21.2-179.1-61.40000114.4R136 L593 S599 K600R136-C603 WeakPolarHBondContact CD-O 3.25Å; R136-C603 PolarHBondContact NH1-O 3.24Å; L593-C603 HydrophobicContact CD2-CB 4.36Å; S599-C603 PolarHBondContact O-N 3.17Å; S599-C603 PolarHBondContact O-SG 3.49Å; K600-C603 PolarHBondContact O-N 2.93Å
604D76.2Confident85Confident53 Ų5337.6 Ų37.628%0.28321%0.209SC..THydrogen-bonded Turntrans-104.220.3178.2-65.5-21.9000111.9I134 R136 K600 A602I134-D604 WeakPolarHBondContact CD1-O 3.32Å; R136-D604 IonicContact NH1-OD1 3.53Å; R136-D604 PolarHBondContact NH1-OD1 3.13Å; K600-D604 WeakPolarHBondContact CG-OD2 3.25Å; K600-D604 VanDerWaalsContact O-CB 3.23Å; K600-D604 WeakPolarHBondContact O-CB 3.38Å; K600-D604 PolarHBondContact O-N 2.92Å; A602-D604 VanDerWaalsContact C-N 3.31Å; A602-D604 PolarHBondContact O-N 3.09Å
605S88.7Confident85.4Confident13 Ų1336.7 Ų36.79%0.09120%0.204CC..  trans-92127.3174.7-1780000111.4A602 A607 V608 Q684A602-S605 WeakPolarHBondContact O-CB 3.42Å; A602-S605 PolarHBondContact O-N 3.4Å; S605-A607 PolarHBondContact O-N 3.22Å; S605-A607 VanDerWaalsContact O-N 3.07Å; S605-A607 WeakPolarHBondContact OG-CB 3.4Å; S605-A607 PolarHBondContact OG-N 3.09Å; S605-V608 WeakPolarHBondContact O-CG2 3.46Å; S605-V608 PolarHBondContact O-N 3.47Å; S605-Q684 PolarHBondContact OG-OE1 3.37Å
606P93.1Very high85.9Confident43 Ų4334.2 Ų34.228%0.27919%0.192SC..THydrogen-bonded Turntrans-59.7-17.8173.2-23.533.5000114H129 I134 V608 D609 W610 L688H129-P606 HydrophobicContact CB-CB 4.42Å; H129-P606 PolarHBondContact CE1-O 3.32Å; I134-P606 HydrophobicContact CD1-CG 4.12Å; I134-P606 HydrophobicContact CG1-CG 4.29Å; P606-V608 PolarHBondContact O-N 3.01Å; P606-V608 VanDerWaalsContact O-N 3.17Å; P606-D609 PolarHBondContact O-N 3.46Å; P606-W610 VanDerWaalsContact O-CD1 3.24Å; P606-L688 HydrophobicContact CB-CD2 4.42Å
607A95.1Very high86.7Confident0 Ų029.1 Ų29.10%017%0.168CC..Hα-helixtrans-59.3-25.7-18000000113.2S605 W610 W611 Q684 R687 L688S605-A607 PolarHBondContact O-N 3.22Å; S605-A607 VanDerWaalsContact O-N 3.07Å; S605-A607 WeakPolarHBondContact OG-CB 3.4Å; S605-A607 PolarHBondContact OG-N 3.09Å; A607-W610 PolarHBondContact O-N 3.4Å; A607-W611 PolarHBondContact O-N 3.27Å; A607-W611 VanDerWaalsContact O-N 3.08Å; A607-Q684 HydrophobicContact CB-CB 3.86Å; A607-Q684 HydrophobicContact CB-CG 3.98Å; A607-R687 WeakPolarHBondContact O-CD 3.43Å; A607-R687 PolarHBondContact O-NH1 3.02Å; A607-L688 HydrophobicContact CB-CD1 4.19Å; A607-L688 HydrophobicContact CB-CD2 4.12Å; A607-L688 HydrophobicContact CB-CG 3.91Å
608V94.1Very high87.9Confident6 Ų626.8 Ų26.84%0.03615%0.153CC..Hα-helixtrans-67.5-36.2180-55.20000112.1I134 R136 A590 E592 L593 S605 P606 W611 A612I134-V608 HydrophobicContact CG2-CG2 3.94Å; R136-V608 HydrophobicContact CG-CG2 4.27Å; A590-V608 HydrophobicContact CB-CB 4.13Å; A590-V608 HydrophobicContact CB-CG1 4.05Å; E592-V608 HydrophobicContact CG-CG1 4.12Å; E592-V608 WeakPolarHBondContact OE1-CG1 3.49Å; L593-V608 HydrophobicContact CD1-CB 4.3Å; L593-V608 HydrophobicContact CD1-CG1 4.12Å; L593-V608 HydrophobicContact CD2-CG1 4.15Å; L593-V608 HydrophobicContact CG-CG1 4.05Å; S605-V608 WeakPolarHBondContact O-CG2 3.46Å; S605-V608 PolarHBondContact O-N 3.47Å; P606-V608 PolarHBondContact O-N 3.01Å; P606-V608 VanDerWaalsContact O-N 3.17Å; V608-W611 WeakPolarHBondContact O-CB 3.16Å; V608-W611 PolarHBondContact O-N 2.7Å; V608-A612 PolarHBondContact O-N 2.75Å; V608-A612 VanDerWaalsContact O-N 3.16Å
609D95.3Very high89Confident1 Ų120.8 Ų20.81%0.00512%0.12CC..Hα-helixtrans-72.5-36.7178.5-67.4-19.3000111L125 H129 I134 H135 R136 P606 W611 A612 L613L125-D609 HydrophobicContact CD1-CB 4.16Å; L125-D609 HydrophobicContact CD2-CB 3.8Å; H129-D609 IonicContact CD2-OD2 3.48Å; H129-D609 IonicContact CE1-OD2 3.82Å; H129-D609 IonicContact NE2-OD2 3.18Å; H129-D609 PolarHBondContact NE2-OD2 2.96Å; I134-D609 VanDerWaalsContact CG2-OD2 3.3Å; I134-D609 WeakPolarHBondContact CG2-OD2 3.38Å; H135-D609 WeakPolarHBondContact CB-OD2 3.32Å; H135-D609 PolarHBondContact N-OD1 3.37Å; H135-D609 PolarHBondContact N-OD2 3.36Å; R136-D609 PolarHBondContact N-OD1 2.93Å; P606-D609 PolarHBondContact O-N 3.46Å; D609-W611 VanDerWaalsContact C-N 3.32Å; D609-W611 PolarHBondContact O-N 2.85Å; D609-A612 PolarHBondContact O-N 3.13Å; D609-L613 PolarHBondContact O-N 2.94Å
610W97.7Very high90.1Very high8 Ų819 Ų193%0.0311%0.108CC..Hα-helixtrans-67.3-33.5175.9-67.9112.3000112.5A122 L125 E126 H129 P606 A607 L613 G614 L679 R687 A691 I694A122-W610 HydrophobicContact CB-CH2 4.16Å; A122-W610 HydrophobicContact CB-CZ3 4.03Å; L125-W610 HydrophobicContact CB-CH2 3.98Å; L125-W610 HydrophobicContact CB-CZ2 3.99Å; L125-W610 HydrophobicContact CB-CZ3 4.45Å; L125-W610 HydrophobicContact CD1-CD2 4.33Å; L125-W610 HydrophobicContact CD1-CE3 4.06Å; L125-W610 HydrophobicContact CD1-CH2 4.45Å; L125-W610 HydrophobicContact CD1-CZ3 4.12Å; E126-W610 HydrophobicContact CG-CH2 4.16Å; E126-W610 HydrophobicContact CG-CZ2 4.21Å; H129-W610 AromaticContact CE1-CD1 3.76Å; H129-W610 AromaticContact CE1-CE2 3.88Å; H129-W610 AromaticContact CE1-NE1 3.25Å; H129-W610 PolarHBondContact CE1-NE1 3.21Å; H129-W610 VanDerWaalsContact CE1-NE1 3.25Å; H129-W610 AromaticContact ND1-CE2 3.84Å; H129-W610 AromaticContact ND1-NE1 3.18Å; H129-W610 PolarHBondContact ND1-NE1 3.44Å; H129-W610 VanDerWaalsContact ND1-NE1 3.18Å; P606-W610 VanDerWaalsContact O-CD1 3.24Å; A607-W610 PolarHBondContact O-N 3.4Å; W610-L613 HydrophobicContact CE3-CD2 3.76Å; W610-L613 HydrophobicContact CZ3-CD2 3.62Å; W610-L613 PolarHBondContact O-N 3.14Å; W610-G614 PolarHBondContact O-N 3.25Å; W610-G614 VanDerWaalsContact O-N 3.13Å; W610-L679 HydrophobicContact CB-CD2 4.25Å; W610-L679 HydrophobicContact CE3-CD2 4.23Å; W610-R687 HydrophobicContact CB-CG 4.44Å; W610-A691 HydrophobicContact CB-CB 4.24Å; W610-A691 HydrophobicContact CD2-CB 3.39Å; W610-A691 HydrophobicContact CE3-CB 3.89Å; W610-A691 HydrophobicContact CG-CB 3.53Å; W610-A691 HydrophobicContact CZ2-CB 4.2Å; W610-A691 HydrophobicContact CZ3-CB 4.47Å; W610-I694 HydrophobicContact CE3-CD1 4.3Å; W610-I694 HydrophobicContact CZ3-CD1 3.71Å
611W97.6Very high91.4Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-61.5-50169.4173.3-84.1000110.9L589 A590 P591 A607 V608 D609 L613 G614 V615 F627 I639 L642 L680L589-W611 PolarHBondContact O-NE1 3.22Å; A590-W611 HydrophobicContact CB-CB 3.95Å; A590-W611 HydrophobicContact CB-CD2 4.28Å; A590-W611 HydrophobicContact CB-CG 3.82Å; P591-W611 HydrophobicContact CG-CE3 4.45Å; P591-W611 HydrophobicContact CG-CH2 4.04Å; P591-W611 HydrophobicContact CG-CZ3 3.95Å; A607-W611 PolarHBondContact O-N 3.27Å; A607-W611 VanDerWaalsContact O-N 3.08Å; V608-W611 WeakPolarHBondContact O-CB 3.16Å; V608-W611 PolarHBondContact O-N 2.7Å; D609-W611 VanDerWaalsContact C-N 3.32Å; D609-W611 PolarHBondContact O-N 2.85Å; W611-L613 VanDerWaalsContact C-N 3.26Å; W611-L613 PolarHBondContact O-N 3.47Å; W611-G614 WeakPolarHBondContact O-CA 3.08Å; W611-G614 PolarHBondContact O-N 3.04Å; W611-V615 PolarHBondContact O-N 3.1Å; W611-F627 HydrophobicContact CH2-CE2 4.12Å; W611-F627 AromaticContact CH2-CZ 3.88Å; W611-F627 HydrophobicContact CH2-CZ 3.88Å; W611-F627 HydrophobicContact CZ2-CD2 4.33Å; W611-F627 AromaticContact CZ2-CE2 3.37Å; W611-F627 HydrophobicContact CZ2-CE2 3.37Å; W611-F627 AromaticContact CZ2-CZ 3.6Å; W611-F627 HydrophobicContact CZ2-CZ 3.6Å; W611-I639 HydrophobicContact CH2-CG2 4.45Å; W611-I639 HydrophobicContact CZ2-CG2 3.92Å; W611-L642 HydrophobicContact CH2-CD2 3.52Å; W611-L642 HydrophobicContact CZ3-CD2 3.94Å; W611-L680 HydrophobicContact CD2-CD2 3.77Å; W611-L680 HydrophobicContact CE3-CB 4.41Å; W611-L680 HydrophobicContact CE3-CD2 3.97Å; W611-L680 HydrophobicContact CG-CD2 4.22Å; W611-L680 HydrophobicContact CZ2-CD2 4.29Å; W611-L680 HydrophobicContact CZ3-CB 4.24Å; W611-L680 HydrophobicContact CZ3-CD2 4.36Å; W611-L680 VanDerWaalsContact CZ3-O 3.27Å; W611-L680 WeakPolarHBondContact CZ3-O 3.39Å
612A97.2Very high92.5Very high4 Ų49.8 Ų9.83%0.0336%0.059CC..Hα-helixtrans-59-37.6178.400000112L138 V608 D609 G614 V615 I616L138-A612 HydrophobicContact CB-CB 3.86Å; L138-A612 HydrophobicContact CD2-CB 4.12Å; L138-A612 HydrophobicContact CG-CB 4.4Å; V608-A612 PolarHBondContact O-N 2.75Å; V608-A612 VanDerWaalsContact O-N 3.16Å; D609-A612 PolarHBondContact O-N 3.13Å; A612-G614 VanDerWaalsContact C-N 3.33Å; A612-G614 PolarHBondContact O-N 2.93Å; A612-V615 WeakPolarHBondContact O-CB 3.44Å; A612-V615 PolarHBondContact O-N 2.85Å; A612-I616 VanDerWaalsContact O-CG1 3.25Å; A612-I616 WeakPolarHBondContact O-CG1 3.38Å; A612-I616 PolarHBondContact O-N 3.43Å
613L98.4Very high93.6Very high0 Ų010.1 Ų10.10%06%0.063CC..Hα-helixtrans-60.6-40.5171.5-179.158.2000112.3T118 I121 A122 L125 L138 D609 W610 W611 V615 I616 L617 L679 I694T118-L613 HydrophobicContact CG2-CD1 4.2Å; T118-L613 HydrophobicContact CG2-CD2 4.31Å; T118-L613 HydrophobicContact CG2-CG 4.44Å; I121-L613 HydrophobicContact CB-CD1 3.91Å; I121-L613 HydrophobicContact CD1-CD1 4.1Å; I121-L613 HydrophobicContact CG2-CD1 3.67Å; A122-L613 HydrophobicContact CB-CD2 4.3Å; L125-L613 HydrophobicContact CD1-CB 4.26Å; L125-L613 HydrophobicContact CD1-CD2 4.31Å; L138-L613 HydrophobicContact CD2-CB 4.44Å; D609-L613 PolarHBondContact O-N 2.94Å; W610-L613 HydrophobicContact CE3-CD2 3.76Å; W610-L613 HydrophobicContact CZ3-CD2 3.62Å; W610-L613 PolarHBondContact O-N 3.14Å; W611-L613 VanDerWaalsContact C-N 3.26Å; W611-L613 PolarHBondContact O-N 3.47Å; L613-V615 VanDerWaalsContact C-N 3.35Å; L613-V615 PolarHBondContact O-N 2.96Å; L613-I616 PolarHBondContact O-N 3.05Å; L613-L617 WeakPolarHBondContact O-CB 3.42Å; L613-L617 PolarHBondContact O-N 3.47Å; L613-L679 HydrophobicContact CD2-CD1 4.45Å; L613-L679 HydrophobicContact CG-CD1 4.26Å; L613-I694 HydrophobicContact CD2-CD1 4.02Å
614G98.4Very high94.7Very high0 Ų09.7 Ų9.70%06%0.059CC..Hα-helixtrans-60.8-42.2174.100000112.8W610 W611 A612 F618W610-G614 PolarHBondContact O-N 3.25Å; W610-G614 VanDerWaalsContact O-N 3.13Å; W611-G614 WeakPolarHBondContact O-CA 3.08Å; W611-G614 PolarHBondContact O-N 3.04Å; A612-G614 VanDerWaalsContact C-N 3.33Å; A612-G614 PolarHBondContact O-N 2.93Å; G614-F618 PolarHBondContact O-N 2.97Å
615V98.2Very high95.6Very high0 Ų07.2 Ų7.20%05%0.046CC..Hα-helixtrans-63.3-45.6174.71790000110.7Y588 W611 A612 L613 F618 E619 T625 P626 F627 L680Y588-V615 HydrophobicContact CD1-CB 3.93Å; Y588-V615 HydrophobicContact CD1-CG1 3.39Å; Y588-V615 HydrophobicContact CE1-CB 4.47Å; Y588-V615 HydrophobicContact CE1-CG1 3.66Å; Y588-V615 HydrophobicContact CG-CG1 4.16Å; W611-V615 PolarHBondContact O-N 3.1Å; A612-V615 WeakPolarHBondContact O-CB 3.44Å; A612-V615 PolarHBondContact O-N 2.85Å; L613-V615 VanDerWaalsContact C-N 3.35Å; L613-V615 PolarHBondContact O-N 2.96Å; V615-F618 PolarHBondContact O-N 3.2Å; V615-E619 WeakPolarHBondContact O-CB 3.41Å; V615-E619 PolarHBondContact O-N 2.98Å; V615-T625 HydrophobicContact CG1-CG2 4.34Å; V615-P626 HydrophobicContact CG1-CG 4.26Å; V615-P626 HydrophobicContact CG2-CG 4.33Å; V615-F627 HydrophobicContact CG2-CD2 4.49Å; V615-F627 HydrophobicContact CG2-CE2 4.19Å; V615-L680 HydrophobicContact CG2-CD2 3.77Å
616I98.3Very high95.9Very high0 Ų06.6 Ų6.60%04%0.042CC..Hα-helixtrans-63.8-44.2178.9-68.4164.8000111L99 I121 L138 P140 I143 Y588 A612 L613 F618 E619 M620L99-I616 HydrophobicContact CD2-CG2 4.46Å; I121-I616 HydrophobicContact CD1-CG2 4.25Å; L138-I616 HydrophobicContact CD2-CD1 3.99Å; L138-I616 HydrophobicContact CG-CD1 3.78Å; P140-I616 HydrophobicContact CG-CG1 4.21Å; I143-I616 HydrophobicContact CD1-CD1 4.04Å; Y588-I616 HydrophobicContact CD1-CG1 4.09Å; Y588-I616 HydrophobicContact CE1-CG1 3.93Å; A612-I616 VanDerWaalsContact O-CG1 3.25Å; A612-I616 WeakPolarHBondContact O-CG1 3.38Å; A612-I616 PolarHBondContact O-N 3.43Å; L613-I616 PolarHBondContact O-N 3.05Å; I616-F618 PolarHBondContact O-N 3.16Å; I616-E619 PolarHBondContact O-N 3.44Å; I616-M620 HydrophobicContact CG2-CE 4.18Å; I616-M620 HydrophobicContact CG2-CG 4.31Å; I616-M620 HydrophobicContact CG2-SD 4.43Å; I616-M620 WeakPolarHBondContact O-CG 3.37Å; I616-M620 PolarHBondContact O-N 3.32Å
617L98.3Very high96.1Very high0 Ų04.6 Ų4.60%03%0.028CC..Hα-helixtrans-61.5-44.7177.3173.655.6000111.3A114 T118 L613 E619 M620 L621 L675 I676 F699A114-L617 HydrophobicContact CB-CD1 4.12Å; T118-L617 HydrophobicContact CG2-CD2 4.41Å; L613-L617 WeakPolarHBondContact O-CB 3.42Å; L613-L617 PolarHBondContact O-N 3.47Å; L617-E619 VanDerWaalsContact C-N 3.34Å; L617-E619 PolarHBondContact O-N 2.96Å; L617-M620 HydrophobicContact CB-CE 4.44Å; L617-M620 HydrophobicContact CD1-CE 4.16Å; L617-M620 PolarHBondContact O-N 3.22Å; L617-L621 HydrophobicContact CD1-CD1 3.89Å; L617-L621 HydrophobicContact CD1-CG 4.07Å; L617-L621 HydrophobicContact CG-CD1 4.36Å; L617-L621 WeakPolarHBondContact O-CG 3.15Å; L617-L621 PolarHBondContact O-N 2.88Å; L617-L621 VanDerWaalsContact O-N 3.1Å; L617-L675 HydrophobicContact CD2-CD2 3.73Å; L617-L675 HydrophobicContact CD2-CG 4.04Å; L617-I676 HydrophobicContact CB-CG1 4.32Å; L617-I676 HydrophobicContact CD2-CD1 4.41Å; L617-I676 HydrophobicContact CD2-CG1 3.67Å; L617-I676 HydrophobicContact CG-CD1 4.06Å; L617-I676 HydrophobicContact CG-CG1 3.73Å; L617-F699 HydrophobicContact CD1-CE1 3.71Å; L617-F699 HydrophobicContact CD1-CZ 4.07Å; L617-F699 HydrophobicContact CD2-CD1 4.39Å; L617-F699 HydrophobicContact CD2-CE1 4.22Å
618F97.5Very high95.9Very high0 Ų05.1 Ų5.10%03%0.033CC..Hα-helixtrans-59.6-46.3173.8-175.9-77.9000111.2G614 V615 I616 M620 L621 V622 V624 P626 I644 W646 I676G614-F618 PolarHBondContact O-N 2.97Å; V615-F618 PolarHBondContact O-N 3.2Å; I616-F618 PolarHBondContact O-N 3.16Å; F618-M620 VanDerWaalsContact C-N 3.34Å; F618-M620 PolarHBondContact O-N 3.3Å; F618-L621 PolarHBondContact O-N 3.06Å; F618-L621 VanDerWaalsContact O-N 3.14Å; F618-V622 HydrophobicContact CD1-CB 4.02Å; F618-V622 HydrophobicContact CD1-CG2 3.96Å; F618-V622 HydrophobicContact CD2-CG2 4.28Å; F618-V622 HydrophobicContact CE1-CB 3.69Å; F618-V622 HydrophobicContact CE1-CG1 3.84Å; F618-V622 HydrophobicContact CE1-CG2 3.7Å; F618-V622 HydrophobicContact CE2-CG2 4.04Å; F618-V622 HydrophobicContact CG-CG2 4.26Å; F618-V622 HydrophobicContact CZ-CB 4.17Å; F618-V622 HydrophobicContact CZ-CG1 4.13Å; F618-V622 HydrophobicContact CZ-CG2 3.75Å; F618-V622 WeakPolarHBondContact O-CB 3.31Å; F618-V622 WeakPolarHBondContact O-CG2 3.47Å; F618-V622 PolarHBondContact O-N 3.37Å; F618-V624 VanDerWaalsContact CD1-O 3.23Å; F618-V624 WeakPolarHBondContact CD1-O 3.4Å; F618-V624 WeakPolarHBondContact CE1-O 3.38Å; F618-P626 HydrophobicContact CB-CG 4.3Å; F618-P626 HydrophobicContact CD1-CB 3.88Å; F618-P626 VanDerWaalsContact CD1-CD 3.45Å; F618-P626 HydrophobicContact CD1-CG 4.16Å; F618-P626 HydrophobicContact CD2-CB 4.16Å; F618-P626 HydrophobicContact CE1-CB 4Å; F618-P626 HydrophobicContact CE2-CB 4.27Å; F618-P626 HydrophobicContact CG-CB 3.95Å; F618-P626 HydrophobicContact CG-CG 4.16Å; F618-P626 HydrophobicContact CZ-CB 4.19Å; F618-I644 HydrophobicContact CD2-CG2 4.39Å; F618-I644 HydrophobicContact CE2-CG2 3.76Å; F618-I644 HydrophobicContact CZ-CG2 4.26Å; F618-W646 HydrophobicContact CD2-CE3 4.35Å; F618-W646 HydrophobicContact CD2-CH2 4.42Å; F618-W646 AromaticContact CD2-CZ3 3.98Å; F618-W646 HydrophobicContact CD2-CZ3 3.98Å; F618-W646 HydrophobicContact CE2-CD2 4.42Å; F618-W646 AromaticContact CE2-CE3 3.91Å; F618-W646 HydrophobicContact CE2-CE3 3.91Å; F618-W646 HydrophobicContact CE2-CZ3 4.02Å; F618-I676 HydrophobicContact CB-CD1 4.19Å; F618-I676 HydrophobicContact CB-CG2 4.21Å; F618-I676 HydrophobicContact CD2-CD1 4.36Å; F618-I676 HydrophobicContact CD2-CG2 4.27Å
619E96.2Very high95.7Very high5 Ų56.1 Ų6.12%0.0234%0.038CC..Hα-helixtrans-63.1-39.2179-171.9-178.9-173.700112.2K100 L103 P140 Y588 V615 I616 L617 L621 G623 V624 T625K100-E619 IonicContact NZ-OE1 3.63Å; K100-E619 PolarHBondContact NZ-OE1 3.48Å; K100-E619 IonicContact NZ-OE2 3.85Å; L103-E619 HydrophobicContact CD1-CG 4.2Å; P140-E619 WeakPolarHBondContact CG-OE2 3.24Å; Y588-E619 PolarHBondContact OH-OE2 3.1Å; V615-E619 WeakPolarHBondContact O-CB 3.41Å; V615-E619 PolarHBondContact O-N 2.98Å; I616-E619 PolarHBondContact O-N 3.44Å; L617-E619 VanDerWaalsContact C-N 3.34Å; L617-E619 PolarHBondContact O-N 2.96Å; E619-L621 VanDerWaalsContact C-N 3.29Å; E619-L621 PolarHBondContact O-N 3.48Å; E619-G623 WeakPolarHBondContact O-CA 3.28Å; E619-G623 PolarHBondContact O-N 3.26Å; E619-V624 WeakPolarHBondContact CA-O 3.34Å; E619-T625 HydrophobicContact CG-CG2 4.37Å
620M97.3Very high95.2Very high0 Ų09.7 Ų9.70%06%0.055CC..Hα-helixtrans-59.6-41.5173.9-73.4-168-64.800111.1L99 L103 C108 L109 A114 Y117 T118 I616 L617 F618L99-M620 HydrophobicContact CD2-SD 4.38Å; L103-M620 HydrophobicContact CD1-CG 4.26Å; L103-M620 HydrophobicContact CD2-CB 4.49Å; L103-M620 HydrophobicContact CD2-CG 4.17Å; C108-M620 CarbonylContact C-O 3.59Å; C108-M620 WeakPolarHBondContact CA-O 3.28Å; L109-M620 HydrophobicContact CD1-CB 4.18Å; L109-M620 HydrophobicContact CD1-CG 4.06Å; L109-M620 HydrophobicContact CD1-SD 3.92Å; L109-M620 HydrophobicContact CG-CB 4.48Å; L109-M620 PolarHBondContact N-O 3.04Å; A114-M620 HydrophobicContact CB-CB 4.09Å; A114-M620 HydrophobicContact CB-CE 4.25Å; Y117-M620 HydrophobicContact CD2-SD 4.28Å; T118-M620 WeakPolarHBondContact OG1-CE 3.42Å; I616-M620 HydrophobicContact CG2-CE 4.18Å; I616-M620 HydrophobicContact CG2-CG 4.31Å; I616-M620 HydrophobicContact CG2-SD 4.43Å; I616-M620 WeakPolarHBondContact O-CG 3.37Å; I616-M620 PolarHBondContact O-N 3.32Å; L617-M620 HydrophobicContact CB-CE 4.44Å; L617-M620 HydrophobicContact CD1-CE 4.16Å; L617-M620 PolarHBondContact O-N 3.22Å; F618-M620 VanDerWaalsContact C-N 3.34Å; F618-M620 PolarHBondContact O-N 3.3Å
621L95.8Very high94.8Very high14 Ų1412.2 Ų12.27%0.0737%0.071CC..Hα-helixtrans-82-30.4-176.4-64.4178.9000114.2E111 A114 L617 F618 E619 L668 A672 I676 F699E111-L621 HydrophobicContact CB-CD2 4.38Å; E111-L621 HydrophobicContact CG-CD2 3.77Å; A114-L621 HydrophobicContact CB-CD2 3.51Å; A114-L621 HydrophobicContact CB-CG 4.18Å; L617-L621 HydrophobicContact CD1-CD1 3.89Å; L617-L621 HydrophobicContact CD1-CG 4.07Å; L617-L621 HydrophobicContact CG-CD1 4.36Å; L617-L621 WeakPolarHBondContact O-CG 3.15Å; L617-L621 PolarHBondContact O-N 2.88Å; L617-L621 VanDerWaalsContact O-N 3.1Å; F618-L621 PolarHBondContact O-N 3.06Å; F618-L621 VanDerWaalsContact O-N 3.14Å; E619-L621 VanDerWaalsContact C-N 3.29Å; E619-L621 PolarHBondContact O-N 3.48Å; L621-L668 HydrophobicContact CB-CD2 3.66Å; L621-L668 HydrophobicContact CD1-CD2 4.04Å; L621-L668 HydrophobicContact CG-CD2 4.38Å; L621-A672 HydrophobicContact CD1-CB 3.81Å; L621-I676 HydrophobicContact CD1-CD1 4.05Å; L621-F699 HydrophobicContact CD1-CZ 4.22Å; L621-F699 HydrophobicContact CD2-CZ 4.43Å
622V93.6Very high94.5Very high29 Ų2915.2 Ų15.218%0.1769%0.089CC..Hα-helixtrans-109.7-22.6-171.4-174.50000112.7Y338 F618 V624 P647 L668Y338-V622 HydrophobicContact CE2-CG1 4.48Å; F618-V622 HydrophobicContact CD1-CB 4.02Å; F618-V622 HydrophobicContact CD1-CG2 3.96Å; F618-V622 HydrophobicContact CD2-CG2 4.28Å; F618-V622 HydrophobicContact CE1-CB 3.69Å; F618-V622 HydrophobicContact CE1-CG1 3.84Å; F618-V622 HydrophobicContact CE1-CG2 3.7Å; F618-V622 HydrophobicContact CE2-CG2 4.04Å; F618-V622 HydrophobicContact CG-CG2 4.26Å; F618-V622 HydrophobicContact CZ-CB 4.17Å; F618-V622 HydrophobicContact CZ-CG1 4.13Å; F618-V622 HydrophobicContact CZ-CG2 3.75Å; F618-V622 WeakPolarHBondContact O-CB 3.31Å; F618-V622 WeakPolarHBondContact O-CG2 3.47Å; F618-V622 PolarHBondContact O-N 3.37Å; V622-V624 VanDerWaalsContact C-N 3.31Å; V622-V624 HydrophobicContact CG1-CG2 3.93Å; V622-P647 HydrophobicContact CG2-CG 4.25Å; V622-L668 HydrophobicContact CG2-CD1 3.97Å; V622-L668 HydrophobicContact CG2-CD2 4.46Å
623G90.8Very high94.1Very high10 Ų1019.2 Ų19.210%0.10311%0.107CC..SBendtrans83.20.7-178.500000115.8G107 E619G107-G623 WeakPolarHBondContact O-CA 3.29Å; E619-G623 WeakPolarHBondContact O-CA 3.28Å; E619-G623 PolarHBondContact O-N 3.26Å
624V91.3Very high93.8Very high17 Ų1721.7 Ų21.710%0.10312%0.121CC..SBendtrans-139.8153.8172.3-67.40000109.5R335 Y338 F618 E619 V622R335-V624 HydrophobicContact CB-CG1 4.48Å; R335-V624 HydrophobicContact CG-CG1 3.48Å; R335-V624 VanDerWaalsContact CG-CG1 3.48Å; Y338-V624 HydrophobicContact CD1-CG2 3.97Å; Y338-V624 HydrophobicContact CD2-CG2 4.11Å; Y338-V624 HydrophobicContact CE1-CG2 4.08Å; Y338-V624 HydrophobicContact CE2-CG2 4.2Å; Y338-V624 HydrophobicContact CG-CG2 3.98Å; F618-V624 VanDerWaalsContact CD1-O 3.23Å; F618-V624 WeakPolarHBondContact CD1-O 3.4Å; F618-V624 WeakPolarHBondContact CE1-O 3.38Å; E619-V624 WeakPolarHBondContact CA-O 3.34Å; V622-V624 VanDerWaalsContact C-N 3.31Å; V622-V624 HydrophobicContact CG1-CG2 3.93Å
625T95.1Very high93.5Very high2 Ų222 Ų221%0.01212%0.123CC..  trans-68.8152.2175.675.30000110.4E587 Y588 V615 E619 F627 A628E587-T625 HydrophobicContact CB-CG2 4.06Å; E587-T625 WeakPolarHBondContact OE1-CG2 3.31Å; E587-T625 PolarHBondContact OE1-OG1 3.19Å; Y588-T625 HydrophobicContact CE1-CG2 4.39Å; V615-T625 HydrophobicContact CG1-CG2 4.34Å; E619-T625 HydrophobicContact CG-CG2 4.37Å; T625-F627 PolarHBondContact O-N 3.42Å; T625-A628 PolarHBondContact O-N 3Å; T625-A628 VanDerWaalsContact OG1-CB 3.31Å; T625-A628 WeakPolarHBondContact OG1-CB 3.26Å; T625-A628 PolarHBondContact OG1-N 3.28Å; T625-A628 VanDerWaalsContact OG1-N 3.15Å
626P95.3Very high93.3Very high0 Ų022.7 Ų22.70%013%0.126CC..THydrogen-bonded Turntrans-61.1-32.4-179.421.8-32.6000113.1Y338 V615 F618 I644 L680Y338-P626 PolarHBondContact OH-O 2.89Å; V615-P626 HydrophobicContact CG1-CG 4.26Å; V615-P626 HydrophobicContact CG2-CG 4.33Å; F618-P626 HydrophobicContact CB-CG 4.3Å; F618-P626 HydrophobicContact CD1-CB 3.88Å; F618-P626 VanDerWaalsContact CD1-CD 3.45Å; F618-P626 HydrophobicContact CD1-CG 4.16Å; F618-P626 HydrophobicContact CD2-CB 4.16Å; F618-P626 HydrophobicContact CE1-CB 4Å; F618-P626 HydrophobicContact CE2-CB 4.27Å; F618-P626 HydrophobicContact CG-CB 3.95Å; F618-P626 HydrophobicContact CG-CG 4.16Å; F618-P626 HydrophobicContact CZ-CB 4.19Å; P626-I644 HydrophobicContact CB-CG1 4.21Å; P626-I644 HydrophobicContact CB-CG2 3.88Å; P626-L680 HydrophobicContact CB-CD1 4.48Å; P626-L680 HydrophobicContact CG-CD1 4.12Å
627F95.8Very high93.1Very high0 Ų026.4 Ų26.40%014%0.143CC..THydrogen-bonded Turntrans-103.53.9-173.4-50.9-64.1000114.1W611 V615 T625 D629 V635 N638 I639 L642 I644 L680W611-F627 HydrophobicContact CH2-CE2 4.12Å; W611-F627 AromaticContact CH2-CZ 3.88Å; W611-F627 HydrophobicContact CH2-CZ 3.88Å; W611-F627 HydrophobicContact CZ2-CD2 4.33Å; W611-F627 AromaticContact CZ2-CE2 3.37Å; W611-F627 HydrophobicContact CZ2-CE2 3.37Å; W611-F627 AromaticContact CZ2-CZ 3.6Å; W611-F627 HydrophobicContact CZ2-CZ 3.6Å; V615-F627 HydrophobicContact CG2-CD2 4.49Å; V615-F627 HydrophobicContact CG2-CE2 4.19Å; T625-F627 PolarHBondContact O-N 3.42Å; F627-D629 PolarHBondContact O-N 3.41Å; F627-V635 HydrophobicContact CB-CG1 4.44Å; F627-N638 HydrophobicContact CB-CB 4.1Å; F627-N638 HydrophobicContact CD1-CB 4.14Å; F627-N638 PolarHBondContact O-ND2 3.44Å; F627-I639 HydrophobicContact CB-CG1 3.84Å; F627-I639 HydrophobicContact CD1-CG1 4.22Å; F627-I639 HydrophobicContact CD2-CG1 3.65Å; F627-I639 HydrophobicContact CE2-CG1 4.28Å; F627-I639 HydrophobicContact CG-CG1 3.63Å; F627-L642 HydrophobicContact CZ-CD2 4.28Å; F627-I644 HydrophobicContact CD1-CG1 4.4Å; F627-I644 HydrophobicContact CE1-CD1 4.26Å; F627-I644 HydrophobicContact CE1-CG1 3.55Å; F627-I644 HydrophobicContact CZ-CD1 4.17Å; F627-I644 HydrophobicContact CZ-CG1 3.94Å; F627-L680 HydrophobicContact CE2-CD1 4.41Å; F627-L680 HydrophobicContact CE2-CD2 4.4Å; F627-L680 HydrophobicContact CZ-CD1 4.26Å
628A91Very high92.9Very high11 Ų1126.4 Ų26.49%0.09114%0.143CC..  trans-51.7133.1-179.100000112.5R342 T625R342-A628 PolarHBondContact NH1-O 2.92Å; T625-A628 PolarHBondContact O-N 3Å; T625-A628 VanDerWaalsContact OG1-CB 3.31Å; T625-A628 WeakPolarHBondContact OG1-CB 3.26Å; T625-A628 PolarHBondContact OG1-N 3.28Å; T625-A628 VanDerWaalsContact OG1-N 3.15Å
629D90.4Very high92.8Very high28 Ų2826.4 Ų26.415%0.1514%0.143CC..  trans-148.2-178.3176.4-146.2-65.8000110.2R342 H346 F627 N634 V635 N638R342-D629 WeakPolarHBondContact CD-OD2 3.47Å; R342-D629 IonicContact CZ-OD2 3.18Å; R342-D629 IonicContact NE-OD2 3.58Å; R342-D629 PolarHBondContact NE-OD2 3.21Å; H346-D629 IonicContact NE2-OD2 3.7Å; F627-D629 PolarHBondContact O-N 3.41Å; D629-N634 HydrophobicContact CB-CB 3.64Å; D629-N634 WeakPolarHBondContact OD1-CB 3.38Å; D629-N634 PolarHBondContact OD1-ND2 3.09Å; D629-V635 HydrophobicContact CB-CG2 3.87Å; D629-N638 PolarHBondContact OD2-ND2 2.83Å; D629-N638 VanDerWaalsContact OD2-ND2 3.09Å
630E85.7Confident92.7Very high76 Ų7627.7 Ų27.736%0.35515%0.149SC..SBendtrans-78-34.4179.5-77.5169.4-139.500113.5R343R343-E630 IonicContact CZ-OE1 2.7Å; R343-E630 IonicContact CZ-OE2 2.75Å; R343-E630 IonicContact NE-OE1 2.75Å; R343-E630 PolarHBondContact NE-OE1 3.47Å; R343-E630 IonicContact NE-OE2 3.75Å; R343-E630 IonicContact NH2-OE1 3.65Å; R343-E630 PolarHBondContact NH2-OE1 3.11Å; R343-E630 IonicContact NH2-OE2 2.96Å; R343-E630 PolarHBondContact NH2-OE2 3.19Å
631T89.6Confident92.5Very high60 Ų6030.6 Ų30.637%0.36817%0.17SC..SBendtrans-119.8151.1-179.388.30000110.5E633 N634 V635T631-E633 WeakPolarHBondContact CB-OE2 3.35Å; T631-E633 PolarHBondContact O-N 3.32Å; T631-E633 PolarHBondContact OG1-OE2 3.11Å; T631-N634 PolarHBondContact O-N 3.34Å; T631-N634 PolarHBondContact OG1-N 2.97Å; T631-V635 WeakPolarHBondContact O-CG2 3.38Å; T631-V635 PolarHBondContact O-N 2.91Å
632V89.3Confident92.4Very high64 Ų6432.9 Ų32.939%0.38818%0.182SC..Hα-helixtrans-62.9-34.3-179.5177.20000110.6P586 N634 V635 F636P586-V632 HydrophobicContact CB-CG1 3.92Å; P586-V632 HydrophobicContact CG-CG1 4.2Å; P586-V632 HydrophobicContact CG-CG2 4.39Å; V632-N634 PolarHBondContact O-N 2.92Å; V632-V635 WeakPolarHBondContact O-CB 3.12Å; V632-V635 PolarHBondContact O-N 3.37Å; V632-F636 HydrophobicContact CG1-CD1 4.35Å; V632-F636 HydrophobicContact CG1-CD2 4.13Å; V632-F636 HydrophobicContact CG1-CE1 3.78Å; V632-F636 HydrophobicContact CG1-CE2 3.53Å; V632-F636 HydrophobicContact CG1-CZ 3.32Å; V632-F636 VanDerWaalsContact O-CG 3.29Å; V632-F636 WeakPolarHBondContact O-CG 3.4Å; V632-F636 PolarHBondContact O-N 2.95Å
633E90.2Very high92.4Very high87 Ų8733.4 Ų33.441%0.40718%0.184SC..Hα-helixtrans-64.6-41.1177.8-56.471.7-154.300111.5P575 T631 F636 H637P575-E633 HydrophobicContact CB-CG 4.49Å; T631-E633 WeakPolarHBondContact CB-OE2 3.35Å; T631-E633 PolarHBondContact O-N 3.32Å; T631-E633 PolarHBondContact OG1-OE2 3.11Å; E633-F636 PolarHBondContact O-N 3.37Å; E633-H637 WeakPolarHBondContact O-CB 3.48Å; E633-H637 PolarHBondContact O-N 2.97Å
634N91.5Very high92.4Very high53 Ų5334.1 Ų34.128%0.28319%0.185SC..Hα-helixtrans-67.1-41.7174.5-72.7-10.9000110.6D629 T631 V632 F636 H637 N638D629-N634 HydrophobicContact CB-CB 3.64Å; D629-N634 WeakPolarHBondContact OD1-CB 3.38Å; D629-N634 PolarHBondContact OD1-ND2 3.09Å; T631-N634 PolarHBondContact O-N 3.34Å; T631-N634 PolarHBondContact OG1-N 2.97Å; V632-N634 PolarHBondContact O-N 2.92Å; N634-F636 VanDerWaalsContact C-N 3.29Å; N634-F636 PolarHBondContact O-N 3.18Å; N634-H637 WeakPolarHBondContact O-CB 3.3Å; N634-H637 PolarHBondContact O-N 2.95Å; N634-H637 VanDerWaalsContact O-N 3.11Å; N634-N638 WeakPolarHBondContact O-CB 3.32Å; N634-N638 PolarHBondContact O-N 3.01Å; N634-N638 PolarHBondContact O-ND2 2.93Å; N634-N638 PolarHBondContact O-OD1 3.16Å
635V92.3Very high92.2Very high7 Ų735.8 Ų35.84%0.04219%0.192CC..Hα-helixtrans-54.9-47.4173.6174.10000110.5E587 F627 D629 T631 V632 H637 N638 I639E587-V635 HydrophobicContact CG-CG1 4.13Å; F627-V635 HydrophobicContact CB-CG1 4.44Å; D629-V635 HydrophobicContact CB-CG2 3.87Å; T631-V635 WeakPolarHBondContact O-CG2 3.38Å; T631-V635 PolarHBondContact O-N 2.91Å; V632-V635 WeakPolarHBondContact O-CB 3.12Å; V632-V635 PolarHBondContact O-N 3.37Å; V635-H637 PolarHBondContact O-N 2.43Å; V635-N638 WeakPolarHBondContact O-CB 3.48Å; V635-N638 PolarHBondContact O-N 2.95Å; V635-I639 HydrophobicContact CG1-CD1 3.96Å; V635-I639 WeakPolarHBondContact O-CG1 3.11Å; V635-I639 PolarHBondContact O-N 3.42Å
636F93.7Very high91.8Very high14 Ų1438.8 Ų38.86%0.06120%0.203CC..Hα-helixtrans-61.9-42.5175.9-64.3-18.6000112.4L572 L582 P586 L589 L594 V632 E633 N634 N638 I639 L640L572-F636 HydrophobicContact CD2-CD2 4.38Å; L582-F636 HydrophobicContact CD2-CE1 3.92Å; L582-F636 HydrophobicContact CD2-CE2 4.16Å; L582-F636 HydrophobicContact CD2-CZ 3.46Å; L582-F636 VanDerWaalsContact CD2-CZ 3.46Å; P586-F636 HydrophobicContact CB-CD1 4.35Å; P586-F636 HydrophobicContact CB-CE1 3.45Å; P586-F636 VanDerWaalsContact CB-CE1 3.45Å; P586-F636 HydrophobicContact CB-CZ 4.03Å; L589-F636 HydrophobicContact CD1-CE1 4.15Å; L594-F636 HydrophobicContact CD1-CB 4.18Å; L594-F636 HydrophobicContact CD1-CD1 4.08Å; L594-F636 HydrophobicContact CD1-CG 4.32Å; L594-F636 HydrophobicContact CD2-CD1 3.87Å; L594-F636 HydrophobicContact CD2-CE1 3.92Å; L594-F636 HydrophobicContact CD2-CG 4.27Å; L594-F636 HydrophobicContact CD2-CZ 4.38Å; V632-F636 HydrophobicContact CG1-CD1 4.35Å; V632-F636 HydrophobicContact CG1-CD2 4.13Å; V632-F636 HydrophobicContact CG1-CE1 3.78Å; V632-F636 HydrophobicContact CG1-CE2 3.53Å; V632-F636 HydrophobicContact CG1-CZ 3.32Å; V632-F636 VanDerWaalsContact O-CG 3.29Å; V632-F636 WeakPolarHBondContact O-CG 3.4Å; V632-F636 PolarHBondContact O-N 2.95Å; E633-F636 PolarHBondContact O-N 3.37Å; N634-F636 VanDerWaalsContact C-N 3.29Å; N634-F636 PolarHBondContact O-N 3.18Å; F636-N638 VanDerWaalsContact C-N 3.3Å; F636-N638 PolarHBondContact O-N 3.13Å; F636-I639 PolarHBondContact O-N 3.24Å; F636-L640 WeakPolarHBondContact O-CB 3.45Å; F636-L640 VanDerWaalsContact O-CG 3.3Å; F636-L640 WeakPolarHBondContact O-CG 3.19Å; F636-L640 PolarHBondContact O-N 2.82Å
637H93.9Very high91Very high78 Ų7841 Ų4136%0.36122%0.217SC..Hα-helixtrans-59.4-42174.8-176.870.4000111.9E633 N634 V635 L640 S641E633-H637 WeakPolarHBondContact O-CB 3.48Å; E633-H637 PolarHBondContact O-N 2.97Å; N634-H637 WeakPolarHBondContact O-CB 3.3Å; N634-H637 PolarHBondContact O-N 2.95Å; N634-H637 VanDerWaalsContact O-N 3.11Å; V635-H637 PolarHBondContact O-N 2.43Å; H637-L640 PolarHBondContact O-N 3.5Å; H637-S641 VanDerWaalsContact O-CB 3.29Å; H637-S641 WeakPolarHBondContact O-CB 3.43Å; H637-S641 PolarHBondContact O-N 3.08Å; H637-S641 PolarHBondContact O-OG 3.45Å
638N93.9Very high89.5Confident0 Ų046.4 Ų46.40%025%0.25CC..Hα-helixtrans-66.4-40.2179.6-60.6-34.4000111.7R342 F627 D629 N634 V635 F636 S641 L642 D643R342-N638 PolarHBondContact NE-ND2 2.86Å; R342-N638 VanDerWaalsContact NE-ND2 3.18Å; R342-N638 PolarHBondContact NH2-ND2 3.31Å; R342-N638 PolarHBondContact NH2-OD1 3.24Å; F627-N638 HydrophobicContact CB-CB 4.1Å; F627-N638 HydrophobicContact CD1-CB 4.14Å; F627-N638 PolarHBondContact O-ND2 3.44Å; D629-N638 PolarHBondContact OD2-ND2 2.83Å; D629-N638 VanDerWaalsContact OD2-ND2 3.09Å; N634-N638 WeakPolarHBondContact O-CB 3.32Å; N634-N638 PolarHBondContact O-N 3.01Å; N634-N638 PolarHBondContact O-ND2 2.93Å; N634-N638 PolarHBondContact O-OD1 3.16Å; V635-N638 WeakPolarHBondContact O-CB 3.48Å; V635-N638 PolarHBondContact O-N 2.95Å; F636-N638 VanDerWaalsContact C-N 3.3Å; F636-N638 PolarHBondContact O-N 3.13Å; N638-S641 PolarHBondContact O-OG 3.44Å; N638-L642 WeakPolarHBondContact O-CA 3.49Å; N638-L642 PolarHBondContact O-N 3.22Å; N638-D643 PolarHBondContact O-N 2.8Å
639I95.5Very high87.1Confident0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-62.1-51.3173.8-70164.3000110.2P586 P591 L594 W611 F627 V635 F636 S641 L642P586-I639 VanDerWaalsContact O-CD1 3.26Å; P586-I639 WeakPolarHBondContact O-CD1 3.1Å; P591-I639 HydrophobicContact CB-CG2 4.13Å; L594-I639 HydrophobicContact CD1-CB 4Å; L594-I639 HydrophobicContact CD1-CD1 4.28Å; L594-I639 HydrophobicContact CD1-CG2 3.66Å; W611-I639 HydrophobicContact CH2-CG2 4.45Å; W611-I639 HydrophobicContact CZ2-CG2 3.92Å; F627-I639 HydrophobicContact CB-CG1 3.84Å; F627-I639 HydrophobicContact CD1-CG1 4.22Å; F627-I639 HydrophobicContact CD2-CG1 3.65Å; F627-I639 HydrophobicContact CE2-CG1 4.28Å; F627-I639 HydrophobicContact CG-CG1 3.63Å; V635-I639 HydrophobicContact CG1-CD1 3.96Å; V635-I639 WeakPolarHBondContact O-CG1 3.11Å; V635-I639 PolarHBondContact O-N 3.42Å; F636-I639 PolarHBondContact O-N 3.24Å; I639-S641 VanDerWaalsContact C-N 3.29Å; I639-S641 PolarHBondContact O-N 3.5Å; I639-L642 PolarHBondContact O-N 2.78Å
640L94.3Very high84.4Confident31 Ų3152.2 Ų52.216%0.16229%0.285CS..Hα-helixtrans-67.5-28.4-176.9-68.8176.2000113.1P591 L594 L595 F636 H637 Y682P591-L640 HydrophobicContact CB-CD2 4.34Å; L594-L640 HydrophobicContact CB-CD2 4.03Å; L594-L640 HydrophobicContact CD1-CD2 4.13Å; L594-L640 HydrophobicContact CD1-CG 4.03Å; L595-L640 HydrophobicContact CD1-CD2 4.4Å; L595-L640 HydrophobicContact CD2-CD2 3.77Å; L595-L640 HydrophobicContact CG-CD2 3.82Å; F636-L640 WeakPolarHBondContact O-CB 3.45Å; F636-L640 VanDerWaalsContact O-CG 3.3Å; F636-L640 WeakPolarHBondContact O-CG 3.19Å; F636-L640 PolarHBondContact O-N 2.82Å; H637-L640 PolarHBondContact O-N 3.5Å; L640-Y682 WeakPolarHBondContact O-CE2 3.04Å
641S94.4Very high81.8Confident62 Ų6254.8 Ų54.843%0.43431%0.306SS..Hα-helixtrans-92.5-5.5176.559.60000114.1H637 N638 I639 D643H637-S641 VanDerWaalsContact O-CB 3.29Å; H637-S641 WeakPolarHBondContact O-CB 3.43Å; H637-S641 PolarHBondContact O-N 3.08Å; H637-S641 PolarHBondContact O-OG 3.45Å; N638-S641 PolarHBondContact O-OG 3.44Å; I639-S641 VanDerWaalsContact C-N 3.29Å; I639-S641 PolarHBondContact O-N 3.5Å; S641-D643 PolarHBondContact O-N 3.43Å
642L93.7Very high79.2Confident61 Ų6156.3 Ų56.332%0.31932%0.319SS..THydrogen-bonded Turntrans51.536.5-170-75.8174.7000113.7W611 F627 N638 I639 I644 L680 Y682W611-L642 HydrophobicContact CH2-CD2 3.52Å; W611-L642 HydrophobicContact CZ3-CD2 3.94Å; F627-L642 HydrophobicContact CZ-CD2 4.28Å; N638-L642 WeakPolarHBondContact O-CA 3.49Å; N638-L642 PolarHBondContact O-N 3.22Å; I639-L642 PolarHBondContact O-N 2.78Å; L642-I644 PolarHBondContact O-N 3Å; L642-L680 WeakPolarHBondContact CD2-O 3.47Å; L642-Y682 HydrophobicContact CD1-CD2 3.93Å; L642-Y682 HydrophobicContact CD1-CG 4.31Å; L642-Y682 HydrophobicContact CG-CD2 4.03Å
643D92Very high76.3Confident41 Ų4157.3 Ų57.322%0.21934%0.342CS..  trans-81.183.4179.3-168.433.9000111.5R342 R345 N638 S641R342-D643 PolarHBondContact NH2-O 3.15Å; R342-D643 VanDerWaalsContact NH2-O 3.11Å; R342-D643 IonicContact NH2-OD2 3.72Å; R345-D643 IonicContact CZ-OD1 3.39Å; R345-D643 IonicContact NH1-OD1 3.4Å; R345-D643 PolarHBondContact NH1-OD1 3.12Å; R345-D643 IonicContact NH1-OD2 3.82Å; N638-D643 PolarHBondContact O-N 2.8Å; S641-D643 PolarHBondContact O-N 3.43Å
644I91.7Very high73.6Confident25 Ų2557.3 Ų57.313%0.12835%0.351CS..  trans-92.7124.2176.4-55.2172.7000109.5F618 P626 F627 L642 W646 L680F618-I644 HydrophobicContact CD2-CG2 4.39Å; F618-I644 HydrophobicContact CE2-CG2 3.76Å; F618-I644 HydrophobicContact CZ-CG2 4.26Å; P626-I644 HydrophobicContact CB-CG1 4.21Å; P626-I644 HydrophobicContact CB-CG2 3.88Å; F627-I644 HydrophobicContact CD1-CG1 4.4Å; F627-I644 HydrophobicContact CE1-CD1 4.26Å; F627-I644 HydrophobicContact CE1-CG1 3.55Å; F627-I644 HydrophobicContact CZ-CD1 4.17Å; F627-I644 HydrophobicContact CZ-CG1 3.94Å; L642-I644 PolarHBondContact O-N 3Å; I644-W646 HydrophobicContact CD1-CZ2 4.21Å; I644-W646 HydrophobicContact CG2-CD2 4.04Å; I644-W646 HydrophobicContact CG2-CG 4.32Å; I644-W646 HydrophobicContact CG2-CZ2 4Å; I644-W646 PolarHBondContact O-N 3.19Å; I644-L680 HydrophobicContact CD1-CB 4.36Å; I644-L680 HydrophobicContact CD1-CD1 3.64Å
645H86.5Confident70.6Confident52 Ų5260.9 Ų60.924%0.24138%0.38CS..  trans-92.492.8174.3-177.5-96.7000110.5Y338 C341Y338-H645 AromaticContact CD2-ND1 3.55Å; Y338-H645 HydrophobicContact CE1-CB 4.39Å; Y338-H645 HydrophobicContact CE2-CB 3.93Å; Y338-H645 AromaticContact CE2-ND1 3.31Å; Y338-H645 VanDerWaalsContact CE2-ND1 3.31Å; Y338-H645 WeakPolarHBondContact CE2-ND1 3.47Å; Y338-H645 WeakPolarHBondContact CE2-O 3.45Å; Y338-H645 AromaticContact CZ-ND1 3.94Å; Y338-H645 WeakPolarHBondContact OH-CB 3.47Å; Y338-H645 PolarHBondContact OH-O 3.14Å; Y338-H645 VanDerWaalsContact OH-O 3.07Å; C341-H645 PolarHBondContact SG-NE2 3.3Å; C341-H645 VanDerWaalsContact SG-NE2 3.43Å
646W87.3Confident67.8Low65 Ų6569.4 Ų69.425%0.24642%0.417CS..  trans-67.2137.1175.1-60.794.1000110.6F618 I644 V648 L668 V673 I676 S677F618-W646 HydrophobicContact CD2-CE3 4.35Å; F618-W646 HydrophobicContact CD2-CH2 4.42Å; F618-W646 AromaticContact CD2-CZ3 3.98Å; F618-W646 HydrophobicContact CD2-CZ3 3.98Å; F618-W646 HydrophobicContact CE2-CD2 4.42Å; F618-W646 AromaticContact CE2-CE3 3.91Å; F618-W646 HydrophobicContact CE2-CE3 3.91Å; F618-W646 HydrophobicContact CE2-CZ3 4.02Å; I644-W646 HydrophobicContact CD1-CZ2 4.21Å; I644-W646 HydrophobicContact CG2-CD2 4.04Å; I644-W646 HydrophobicContact CG2-CG 4.32Å; I644-W646 HydrophobicContact CG2-CZ2 4Å; I644-W646 PolarHBondContact O-N 3.19Å; W646-V648 WeakPolarHBondContact O-CG2 3.43Å; W646-V648 PolarHBondContact O-N 3.44Å; W646-L668 HydrophobicContact CE3-CD1 4.01Å; W646-L668 HydrophobicContact CZ3-CD1 4.16Å; W646-V673 HydrophobicContact CE3-CG1 4.38Å; W646-V673 HydrophobicContact CE3-CG2 4.11Å; W646-V673 HydrophobicContact CH2-CG1 4.08Å; W646-V673 HydrophobicContact CZ2-CG1 4.37Å; W646-V673 HydrophobicContact CZ3-CB 4.27Å; W646-V673 HydrophobicContact CZ3-CG1 4.11Å; W646-V673 HydrophobicContact CZ3-CG2 3.98Å; W646-I676 HydrophobicContact CH2-CB 3.84Å; W646-I676 HydrophobicContact CH2-CG2 3.52Å; W646-I676 HydrophobicContact CZ2-CG2 4.41Å; W646-I676 HydrophobicContact CZ3-CB 4.37Å; W646-I676 HydrophobicContact CZ3-CD1 4.21Å; W646-I676 HydrophobicContact CZ3-CG2 4.19Å; W646-S677 WeakPolarHBondContact CZ2-OG 3.09Å
647P79.1Confident64.8Low45 Ų4576.2 Ų76.229%0.29245%0.454SS..  trans-64.1101.7172.325.6-31.6000109.2V622 L668V622-P647 HydrophobicContact CG2-CG 4.25Å; P647-L668 HydrophobicContact CG-CD1 3.87Å; P647-L668 HydrophobicContact CG-CG 3.95Å
648V63.2Low62.1Low115 Ų11578.7 Ų78.770%0.69747%0.469SS*.  trans-85.6129.3178.3-169.20000109.1W646 T650W646-V648 WeakPolarHBondContact O-CG2 3.43Å; W646-V648 PolarHBondContact O-N 3.44Å; V648-T650 PolarHBondContact O-N 3.42Å; V648-T650 VanDerWaalsContact O-N 3.09Å
649T40.9Very low59.1Low44 Ų4488.8 Ų88.827%0.2751%0.513SS..  trans-65.7104.3160.637.80000109.6T651 E667T649-T651 PolarHBondContact O-N 3.03Å; T649-E667 WeakPolarHBondContact CB-OE1 3.4Å; T649-E667 HydrophobicContact CG2-CB 4.06Å; T649-E667 HydrophobicContact CG2-CG 3.4Å; T649-E667 WeakPolarHBondContact CG2-OE1 3.45Å; T649-E667 VanDerWaalsContact OG1-CD 3.24Å; T649-E667 WeakPolarHBondContact OG1-CG 3.3Å; T649-E667 PolarHBondContact OG1-OE1 3.01Å
650T33.6Very low56.2Low116 Ų11696.6 Ų96.671%0.71255%0.549SS*.  trans-66.497.5147.244.30000106.9V648 C652V648-T650 PolarHBondContact O-N 3.42Å; V648-T650 VanDerWaalsContact O-N 3.09Å; T650-C652 PolarHBondContact O-N 3.18Å
651T31.9Very low53.1Low131 Ų13199.7 Ų99.780%0.80457%0.574SS**  trans-58.584.3141.433.20000105.7T649 G653T649-T651 PolarHBondContact O-N 3.03Å; T651-G653 VanDerWaalsContact C-N 3.35Å; T651-G653 PolarHBondContact O-N 2.95Å
652C33.3Very low50Low92 Ų92103.4 Ų103.462%0.62260%0.596SS**  trans-59.7106.9166.541.10000106.1T650 S654T650-C652 PolarHBondContact O-N 3.18Å; C652-S654 PolarHBondContact O-N 3.31Å
653G29.8Very low47.2Very low85 Ų85107.8 Ų107.888%0.87662%0.615SS**  trans-57.891.8162.300000108.2T651T651-G653 VanDerWaalsContact C-N 3.35Å; T651-G653 PolarHBondContact O-N 2.95Å
654S32.5Very low44.8Very low87 Ų87112.2 Ų112.261%0.60863%0.632SS**  trans-143.4104.5162.853.20000107.2C652 F656C652-S654 PolarHBondContact O-N 3.31Å; S654-F656 VanDerWaalsContact C-N 3.28Å; S654-F656 PolarHBondContact O-N 3.38Å
655S28.5Very low42.3Very low128 Ų128118.1 Ų118.190%0.89566%0.664SS**  trans-53.398.2153.2-69.40000108
656F34.9Very low40.5Very low185 Ų185119.1 Ų119.181%0.81168%0.676SS**  trans-159.9121.7151.8-139.4-104000110.7S654 I658S654-F656 VanDerWaalsContact C-N 3.28Å; S654-F656 PolarHBondContact O-N 3.38Å; F656-I658 PolarHBondContact O-N 3.25Å
657N29.7Very low39.9Very low158 Ų158121.9 Ų121.985%0.84569%0.692SS**  trans-64.1114.1175.3-81.2-50.5000110.4
658I38.1Very low40.3Very low129 Ų129121 Ų12166%0.66268%0.684SS**  trans-133.6115.3152.5-58.6-177.6000107.8F656 E660F656-I658 PolarHBondContact O-N 3.25Å; I658-E660 HydrophobicContact CG2-CB 4.17Å; I658-E660 HydrophobicContact CG2-CG 3.98Å; I658-E660 PolarHBondContact O-N 3.33Å
659K30.6Very low41.8Very low212 Ų212117.3 Ų117.392%0.92266%0.664SS**  trans-81.480.4170.9-75.1179.9174.1178.90108.7
660E33.3Very low44.2Very low164 Ų164121.2 Ų121.277%0.76668%0.679SS**  trans-139115.8167.6-70.4-171.6170.700110.4I658I658-E660 HydrophobicContact CG2-CB 4.17Å; I658-E660 HydrophobicContact CG2-CG 3.98Å; I658-E660 PolarHBondContact O-N 3.33Å
661S29.8Very low47.2Very low97 Ų97116.8 Ų116.868%0.67865%0.654SS**  trans36.9120.1164.957.60000120.6Q663S661-Q663 PolarHBondContact O-N 2.88Å
662P30.2Very low50.3Low140 Ų140110.6 Ų110.691%0.90962%0.616SS**  trans-80.886.3175.933.9-31.3000111.2
663Q34.1Very low53.2Low153 Ų153107.6 Ų107.672%0.71560%0.595SS**  trans-102.993.2166.1-77.5-171.5-3.700110.8S661S661-Q663 PolarHBondContact O-N 2.88Å
664K42.8Very low56.4Low134 Ų134107.7 Ų107.758%0.58358%0.576SS**  trans28.888.1156.2-90178.4163.3160.80118.4Q110 C666Q110-K664 VanDerWaalsContact NE2-NZ 3.15Å; K664-C666 VanDerWaalsContact C-N 3.33Å; K664-C666 WeakPolarHBondContact CD-SG 3.4Å; K664-C666 VanDerWaalsContact CE-SG 3.53Å; K664-C666 WeakPolarHBondContact CG-SG 3.37Å; K664-C666 PolarHBondContact O-N 3.33Å
665N38.4Very low59.5Low148 Ų148103.8 Ų103.879%0.79155%0.548SS*.  trans-76.187.4143.2-69.1-20.6000107.6E667N665-E667 PolarHBondContact O-N 2.89Å
666C49.3Very low62.8Low73 Ų7397.7 Ų97.749%0.49351%0.505SS..  trans-8291.9-177.9-91.70000111.5K664K664-C666 VanDerWaalsContact C-N 3.33Å; K664-C666 WeakPolarHBondContact CD-SG 3.4Å; K664-C666 VanDerWaalsContact CE-SG 3.53Å; K664-C666 WeakPolarHBondContact CG-SG 3.37Å; K664-C666 PolarHBondContact O-N 3.33Å
667E74Confident65.8Low123 Ų12391.6 Ų91.658%0.57549%0.485SS*.PPolyproline II helixtrans-58132.9150-113.9164.3-131.900108.6T649 N665T649-E667 WeakPolarHBondContact CB-OE1 3.4Å; T649-E667 HydrophobicContact CG2-CB 4.06Å; T649-E667 HydrophobicContact CG2-CG 3.4Å; T649-E667 WeakPolarHBondContact CG2-OE1 3.45Å; T649-E667 VanDerWaalsContact OG1-CD 3.24Å; T649-E667 WeakPolarHBondContact OG1-CG 3.3Å; T649-E667 PolarHBondContact OG1-OE1 3.01Å; N665-E667 PolarHBondContact O-N 2.89Å
668L88.6Confident69Low26 Ų2684.7 Ų84.714%0.13645%0.452CS..PPolyproline II helixtrans-67.7141.1166.4-65174.8000108.9L621 V622 W646 P647 V673L621-L668 HydrophobicContact CB-CD2 3.66Å; L621-L668 HydrophobicContact CD1-CD2 4.04Å; L621-L668 HydrophobicContact CG-CD2 4.38Å; V622-L668 HydrophobicContact CG2-CD1 3.97Å; V622-L668 HydrophobicContact CG2-CD2 4.46Å; W646-L668 HydrophobicContact CE3-CD1 4.01Å; W646-L668 HydrophobicContact CZ3-CD1 4.16Å; P647-L668 HydrophobicContact CG-CD1 3.87Å; P647-L668 HydrophobicContact CG-CG 3.95Å; L668-V673 HydrophobicContact CB-CG2 3.97Å
669S93.3Very high71.9Confident38 Ų3878.6 Ų78.627%0.26642%0.421SS..PPolyproline II helixtrans-63148.5175.7700000111E111 A671 A672 V673E111-S669 VanDerWaalsContact CD-OG 3.26Å; E111-S669 WeakPolarHBondContact OE1-CB 3.45Å; E111-S669 PolarHBondContact OE1-N 3.34Å; E111-S669 PolarHBondContact OE1-OG 3.46Å; E111-S669 WeakPolarHBondContact OE2-CB 3.44Å; E111-S669 PolarHBondContact OE2-OG 2.92Å; S669-A671 PolarHBondContact O-N 3.41Å; S669-A672 WeakPolarHBondContact O-CB 3.45Å; S669-A672 PolarHBondContact O-N 2.92Å; S669-A672 PolarHBondContact OG-N 3.23Å; S669-V673 WeakPolarHBondContact O-CG2 3.39Å; S669-V673 PolarHBondContact O-N 3Å
670Q92.8Very high75.1Confident126 Ų12668.7 Ų68.759%0.58938%0.378SS*.Hα-helixtrans-59-31.9176.6-169.760.756.400111.6V673 N674Q670-V673 PolarHBondContact O-N 2.77Å; Q670-N674 PolarHBondContact NE2-OD1 3.38Å; Q670-N674 VanDerWaalsContact O-CB 3.31Å; Q670-N674 WeakPolarHBondContact O-CB 3.47Å; Q670-N674 PolarHBondContact O-N 3.15Å; Q670-N674 PolarHBondContact O-ND2 2.96Å; Q670-N674 PolarHBondContact O-OD1 3Å
671A95.9Very high78.1Confident24 Ų2462.3 Ų62.320%0.19835%0.351CS..Hα-helixtrans-61.6-45.9174.500000111.6S669 N674 L675 D698 F699S669-A671 PolarHBondContact O-N 3.41Å; A671-N674 PolarHBondContact O-N 3.18Å; A671-L675 PolarHBondContact O-N 3.44Å; A671-L675 VanDerWaalsContact O-N 3.09Å; A671-D698 HydrophobicContact CB-CB 3.94Å; A671-F699 HydrophobicContact CB-CB 4.05Å; A671-F699 HydrophobicContact CB-CD2 4.47Å
672A96.3Very high81.1Confident0 Ų061.6 Ų61.60%033%0.334CS..Hα-helixtrans-61.8-48.2175.200000111.6L621 S669 N674 L675 I676 F699L621-A672 HydrophobicContact CD1-CB 3.81Å; S669-A672 WeakPolarHBondContact O-CB 3.45Å; S669-A672 PolarHBondContact O-N 2.92Å; S669-A672 PolarHBondContact OG-N 3.23Å; A672-N674 VanDerWaalsContact C-N 3.31Å; A672-N674 PolarHBondContact O-N 2.88Å; A672-L675 PolarHBondContact O-N 3.18Å; A672-I676 WeakPolarHBondContact O-CB 3.34Å; A672-I676 VanDerWaalsContact O-CG1 3.3Å; A672-I676 WeakPolarHBondContact O-CG1 3.15Å; A672-I676 PolarHBondContact O-N 3.3Å; A672-F699 HydrophobicContact CB-CD2 3.63Å; A672-F699 HydrophobicContact CB-CE2 3.58Å; A672-F699 HydrophobicContact CB-CG 4.45Å; A672-F699 HydrophobicContact CB-CZ 4.39Å
673V95.4Very high84.2Confident30 Ų3058.7 Ų58.718%0.18231%0.311CS..Hα-helixtrans-59.4-42.6179.1175.80000111.2W646 L668 S669 Q670 S677W646-V673 HydrophobicContact CE3-CG1 4.38Å; W646-V673 HydrophobicContact CE3-CG2 4.11Å; W646-V673 HydrophobicContact CH2-CG1 4.08Å; W646-V673 HydrophobicContact CZ2-CG1 4.37Å; W646-V673 HydrophobicContact CZ3-CB 4.27Å; W646-V673 HydrophobicContact CZ3-CG1 4.11Å; W646-V673 HydrophobicContact CZ3-CG2 3.98Å; L668-V673 HydrophobicContact CB-CG2 3.97Å; S669-V673 WeakPolarHBondContact O-CG2 3.39Å; S669-V673 PolarHBondContact O-N 3Å; Q670-V673 PolarHBondContact O-N 2.77Å; V673-S677 WeakPolarHBondContact O-CB 3.4Å; V673-S677 PolarHBondContact O-N 3Å; V673-S677 PolarHBondContact O-OG 2.77Å
674N96Very high87.1Confident87 Ų8753.9 Ų53.947%0.46529%0.289SS..Hα-helixtrans-63.6-47.2178.7-71.9-10.3000111.8Q670 A671 A672 S677 G678Q670-N674 PolarHBondContact NE2-OD1 3.38Å; Q670-N674 VanDerWaalsContact O-CB 3.31Å; Q670-N674 WeakPolarHBondContact O-CB 3.47Å; Q670-N674 PolarHBondContact O-N 3.15Å; Q670-N674 PolarHBondContact O-ND2 2.96Å; Q670-N674 PolarHBondContact O-OD1 3Å; A671-N674 PolarHBondContact O-N 3.18Å; A672-N674 VanDerWaalsContact C-N 3.31Å; A672-N674 PolarHBondContact O-N 2.88Å; N674-S677 PolarHBondContact O-N 2.88Å; N674-G678 PolarHBondContact O-N 3.41Å
675L98Very high89.6Confident5 Ų551.8 Ų51.83%0.02629%0.287CS..Hα-helixtrans-63.7-48.4179.2178.857.9000111.3L617 A671 A672 S677 G678 L679 V690 I694 F699 L700L617-L675 HydrophobicContact CD2-CD2 3.73Å; L617-L675 HydrophobicContact CD2-CG 4.04Å; A671-L675 PolarHBondContact O-N 3.44Å; A671-L675 VanDerWaalsContact O-N 3.09Å; A672-L675 PolarHBondContact O-N 3.18Å; L675-S677 PolarHBondContact O-N 3.05Å; L675-G678 PolarHBondContact O-N 2.9Å; L675-L679 HydrophobicContact CD1-CD1 4.04Å; L675-L679 HydrophobicContact CD1-CG 4.17Å; L675-L679 HydrophobicContact CG-CD1 4.13Å; L675-L679 WeakPolarHBondContact O-CG 3.48Å; L675-L679 PolarHBondContact O-N 3.39Å; L675-V690 HydrophobicContact CD1-CG1 4.29Å; L675-I694 HydrophobicContact CD1-CG1 4.23Å; L675-F699 HydrophobicContact CB-CB 4.43Å; L675-F699 HydrophobicContact CD2-CB 4.11Å; L675-F699 HydrophobicContact CD2-CD1 3.76Å; L675-F699 HydrophobicContact CD2-CG 4.32Å; L675-L700 HydrophobicContact CD2-CD1 4.09Å; L675-L700 HydrophobicContact CD2-CD2 4.32Å; L675-L700 HydrophobicContact CD2-CG 3.99Å
676I97.9Very high92.3Very high0 Ų047.9 Ų47.90%027%0.266CS..Hα-helixtrans-60.5-47178.5-66.6165.4000110.3L617 F618 L621 W646 A672 G678 L679 L680L617-I676 HydrophobicContact CB-CG1 4.32Å; L617-I676 HydrophobicContact CD2-CD1 4.41Å; L617-I676 HydrophobicContact CD2-CG1 3.67Å; L617-I676 HydrophobicContact CG-CD1 4.06Å; L617-I676 HydrophobicContact CG-CG1 3.73Å; F618-I676 HydrophobicContact CB-CD1 4.19Å; F618-I676 HydrophobicContact CB-CG2 4.21Å; F618-I676 HydrophobicContact CD2-CD1 4.36Å; F618-I676 HydrophobicContact CD2-CG2 4.27Å; L621-I676 HydrophobicContact CD1-CD1 4.05Å; W646-I676 HydrophobicContact CH2-CB 3.84Å; W646-I676 HydrophobicContact CH2-CG2 3.52Å; W646-I676 HydrophobicContact CZ2-CG2 4.41Å; W646-I676 HydrophobicContact CZ3-CB 4.37Å; W646-I676 HydrophobicContact CZ3-CD1 4.21Å; W646-I676 HydrophobicContact CZ3-CG2 4.19Å; A672-I676 WeakPolarHBondContact O-CB 3.34Å; A672-I676 VanDerWaalsContact O-CG1 3.3Å; A672-I676 WeakPolarHBondContact O-CG1 3.15Å; A672-I676 PolarHBondContact O-N 3.3Å; I676-G678 VanDerWaalsContact C-N 3.28Å; I676-G678 PolarHBondContact O-N 3.48Å; I676-L679 PolarHBondContact O-N 3.37Å; I676-L680 HydrophobicContact CG2-CD1 3.66Å; I676-L680 HydrophobicContact CG2-CG 4.17Å; I676-L680 WeakPolarHBondContact O-CB 3.36Å; I676-L680 WeakPolarHBondContact O-CG 3.3Å; I676-L680 PolarHBondContact O-N 2.92Å
677S96.8Very high94.6Very high56 Ų5644.4 Ų44.439%0.39224%0.243SC..Hα-helixtrans-62.5-36.2-180-59.20000112.1W646 V673 N674 L675 L680 S681W646-S677 WeakPolarHBondContact CZ2-OG 3.09Å; V673-S677 WeakPolarHBondContact O-CB 3.4Å; V673-S677 PolarHBondContact O-N 3Å; V673-S677 PolarHBondContact O-OG 2.77Å; N674-S677 PolarHBondContact O-N 2.88Å; L675-S677 PolarHBondContact O-N 3.05Å; S677-L680 CarbonylContact O-C 3.48Å; S677-S681 PolarHBondContact O-N 3.1Å
678G97.6Very high95.7Very high14 Ų1440.8 Ų40.814%0.14423%0.227CC..Hα-helixtrans-66.9-44.2174.900000113.1N674 L675 I676 L680 S681N674-G678 PolarHBondContact O-N 3.41Å; L675-G678 PolarHBondContact O-N 2.9Å; I676-G678 VanDerWaalsContact C-N 3.28Å; I676-G678 PolarHBondContact O-N 3.48Å; G678-L680 VanDerWaalsContact C-N 3.32Å; G678-S681 VanDerWaalsContact O-CB 3.32Å; G678-S681 WeakPolarHBondContact O-CB 3.08Å; G678-S681 PolarHBondContact O-N 3.44Å
679L98.1Very high96.1Very high0 Ų044.9 Ų44.90%024%0.244CC..Hα-helixtrans-69.3-29.1176-68.8175.4000112.8W610 L613 L675 I676 S681 R687 V690W610-L679 HydrophobicContact CB-CD2 4.25Å; W610-L679 HydrophobicContact CE3-CD2 4.23Å; L613-L679 HydrophobicContact CD2-CD1 4.45Å; L613-L679 HydrophobicContact CG-CD1 4.26Å; L675-L679 HydrophobicContact CD1-CD1 4.04Å; L675-L679 HydrophobicContact CD1-CG 4.17Å; L675-L679 HydrophobicContact CG-CD1 4.13Å; L675-L679 WeakPolarHBondContact O-CG 3.48Å; L675-L679 PolarHBondContact O-N 3.39Å; I676-L679 PolarHBondContact O-N 3.37Å; L679-S681 VanDerWaalsContact C-N 3.3Å; L679-R687 WeakPolarHBondContact O-CD 3.33Å; L679-R687 WeakPolarHBondContact O-CG 3.17Å; L679-R687 PolarHBondContact O-NE 2.72Å; L679-V690 HydrophobicContact CD2-CG1 4.41Å
680L97.7Very high96.3Very high4 Ų445.2 Ų45.22%0.02124%0.244CC..THydrogen-bonded Turntrans-9320.4174.4-60.4-176.9000112.9W611 V615 P626 F627 L642 I644 I676 S677 G678 Y682W611-L680 HydrophobicContact CD2-CD2 3.77Å; W611-L680 HydrophobicContact CE3-CB 4.41Å; W611-L680 HydrophobicContact CE3-CD2 3.97Å; W611-L680 HydrophobicContact CG-CD2 4.22Å; W611-L680 HydrophobicContact CZ2-CD2 4.29Å; W611-L680 HydrophobicContact CZ3-CB 4.24Å; W611-L680 HydrophobicContact CZ3-CD2 4.36Å; W611-L680 VanDerWaalsContact CZ3-O 3.27Å; W611-L680 WeakPolarHBondContact CZ3-O 3.39Å; V615-L680 HydrophobicContact CG2-CD2 3.77Å; P626-L680 HydrophobicContact CB-CD1 4.48Å; P626-L680 HydrophobicContact CG-CD1 4.12Å; F627-L680 HydrophobicContact CE2-CD1 4.41Å; F627-L680 HydrophobicContact CE2-CD2 4.4Å; F627-L680 HydrophobicContact CZ-CD1 4.26Å; L642-L680 WeakPolarHBondContact CD2-O 3.47Å; I644-L680 HydrophobicContact CD1-CB 4.36Å; I644-L680 HydrophobicContact CD1-CD1 3.64Å; I676-L680 HydrophobicContact CG2-CD1 3.66Å; I676-L680 HydrophobicContact CG2-CG 4.17Å; I676-L680 WeakPolarHBondContact O-CB 3.36Å; I676-L680 WeakPolarHBondContact O-CG 3.3Å; I676-L680 PolarHBondContact O-N 2.92Å; S677-L680 CarbonylContact O-C 3.48Å; G678-L680 VanDerWaalsContact C-N 3.32Å; L680-Y682 PolarHBondContact O-N 3.45Å
681S96.7Very high96.5Very high30 Ų3039.3 Ų39.321%0.2122%0.217CC..  trans-62.3132.4172-177.70000110.6S677 G678 L679 N683 R687S677-S681 PolarHBondContact O-N 3.1Å; G678-S681 VanDerWaalsContact O-CB 3.32Å; G678-S681 WeakPolarHBondContact O-CB 3.08Å; G678-S681 PolarHBondContact O-N 3.44Å; L679-S681 VanDerWaalsContact C-N 3.3Å; S681-N683 VanDerWaalsContact C-N 3.25Å; S681-N683 PolarHBondContact O-N 3.21Å; S681-R687 PolarHBondContact O-NE 2.62Å; S681-R687 PolarHBondContact O-NH2 2.98Å
682Y94.3Very high96.5Very high83 Ų8344.4 Ų44.433%0.32524%0.241SC..SBendtrans-60.9-38.1176.9-158.3-94.7000111.5P591 L595 L640 L642 L680 Q684P591-Y682 HydrophobicContact CB-CD2 4.05Å; P591-Y682 HydrophobicContact CB-CE2 3.67Å; P591-Y682 HydrophobicContact CG-CD2 3.98Å; P591-Y682 HydrophobicContact CG-CE2 4.12Å; P591-Y682 HydrophobicContact CG-CG 4.42Å; L595-Y682 HydrophobicContact CD1-CE1 4.15Å; L595-Y682 WeakPolarHBondContact CD1-OH 3.32Å; L640-Y682 WeakPolarHBondContact O-CE2 3.04Å; L642-Y682 HydrophobicContact CD1-CD2 3.93Å; L642-Y682 HydrophobicContact CD1-CG 4.31Å; L642-Y682 HydrophobicContact CG-CD2 4.03Å; L680-Y682 PolarHBondContact O-N 3.45Å; Y682-Q684 PolarHBondContact O-N 2.68Å
683N94Very high96.5Very high78 Ų7850.8 Ų50.842%0.41727%0.27SS..SBendtrans-80.2119.5179.8-172.9-69.2000110.2S681 T685 D686 R687S681-N683 VanDerWaalsContact C-N 3.25Å; S681-N683 PolarHBondContact O-N 3.21Å; N683-T685 VanDerWaalsContact C-N 3.28Å; N683-T685 PolarHBondContact O-N 3.39Å; N683-T685 WeakPolarHBondContact OD1-CA 3.48Å; N683-T685 WeakPolarHBondContact OD1-CB 3.41Å; N683-T685 PolarHBondContact OD1-N 3.4Å; N683-D686 HydrophobicContact CB-CB 4.31Å; N683-D686 PolarHBondContact O-N 3.38Å; N683-D686 PolarHBondContact OD1-N 3.03Å; N683-R687 WeakPolarHBondContact O-CB 3.42Å; N683-R687 PolarHBondContact O-N 3.04Å
684Q94.7Very high96.5Very high53 Ų5349.4 Ų49.425%0.24826%0.262CS..Hα-helixtrans-57.6-38-179.9-67.6-179.749.400113E592 S605 A607 Y682 R687 L688E592-Q684 VanDerWaalsContact CB-NE2 3.27Å; E592-Q684 HydrophobicContact CG-CG 4.26Å; E592-Q684 WeakPolarHBondContact OE1-CG 3.46Å; S605-Q684 PolarHBondContact OG-OE1 3.37Å; A607-Q684 HydrophobicContact CB-CB 3.86Å; A607-Q684 HydrophobicContact CB-CG 3.98Å; Y682-Q684 PolarHBondContact O-N 2.68Å; Q684-R687 WeakPolarHBondContact O-CB 3.49Å; Q684-R687 PolarHBondContact O-N 3.26Å; Q684-L688 WeakPolarHBondContact O-CB 3.3Å; Q684-L688 VanDerWaalsContact O-CG 3.27Å; Q684-L688 WeakPolarHBondContact O-CG 3.39Å; Q684-L688 PolarHBondContact O-N 2.9Å
685T95.1Very high96.4Very high89 Ų8950.2 Ų50.255%0.54626%0.261SS..Hα-helixtrans-66.8-43.6-178.9-53.90000111.2N683 L688 K689N683-T685 VanDerWaalsContact C-N 3.28Å; N683-T685 PolarHBondContact O-N 3.39Å; N683-T685 WeakPolarHBondContact OD1-CA 3.48Å; N683-T685 WeakPolarHBondContact OD1-CB 3.41Å; N683-T685 PolarHBondContact OD1-N 3.4Å; T685-L688 PolarHBondContact O-N 3.07Å; T685-K689 WeakPolarHBondContact O-CG 3.33Å; T685-K689 PolarHBondContact O-N 3.26Å
686D96.4Very high96.2Very high67 Ų6754.3 Ų54.336%0.35829%0.291SS..Hα-helixtrans-69-38.9178.2-63.7-33000111.4N683 L688 K689 V690N683-D686 HydrophobicContact CB-CB 4.31Å; N683-D686 PolarHBondContact O-N 3.38Å; N683-D686 PolarHBondContact OD1-N 3.03Å; D686-L688 VanDerWaalsContact C-N 3.34Å; D686-L688 PolarHBondContact O-N 3.27Å; D686-K689 WeakPolarHBondContact O-CB 3.46Å; D686-K689 PolarHBondContact O-N 2.9Å; D686-K689 IonicContact OD1-NZ 2.79Å; D686-K689 PolarHBondContact OD1-NZ 2.98Å; D686-V690 PolarHBondContact O-N 3.18Å; D686-V690 VanDerWaalsContact O-N 3.16Å
687R97.5Very high96.1Very high0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-56.6-46.8171.6-165.7-172.4-53.5148.94.1111.9E592 A607 W610 L679 S681 N683 Q684 K689 V690 A691E592-R687 IonicContact OE1-CZ 2.75Å; E592-R687 IonicContact OE1-NH1 3.87Å; E592-R687 PolarHBondContact OE1-NH1 2.99Å; E592-R687 IonicContact OE1-NH2 3.81Å; E592-R687 IonicContact OE2-CZ 3.06Å; E592-R687 IonicContact OE2-NH1 2.89Å; E592-R687 PolarHBondContact OE2-NH1 3.32Å; E592-R687 IonicContact OE2-NH2 2.63Å; E592-R687 PolarHBondContact OE2-NH2 3.21Å; A607-R687 WeakPolarHBondContact O-CD 3.43Å; A607-R687 PolarHBondContact O-NH1 3.02Å; W610-R687 HydrophobicContact CB-CG 4.44Å; L679-R687 WeakPolarHBondContact O-CD 3.33Å; L679-R687 WeakPolarHBondContact O-CG 3.17Å; L679-R687 PolarHBondContact O-NE 2.72Å; S681-R687 PolarHBondContact O-NE 2.62Å; S681-R687 PolarHBondContact O-NH2 2.98Å; N683-R687 WeakPolarHBondContact O-CB 3.42Å; N683-R687 PolarHBondContact O-N 3.04Å; Q684-R687 WeakPolarHBondContact O-CB 3.49Å; Q684-R687 PolarHBondContact O-N 3.26Å; R687-K689 VanDerWaalsContact C-N 3.34Å; R687-K689 PolarHBondContact O-N 3.26Å; R687-V690 PolarHBondContact O-N 3.03Å; R687-A691 PolarHBondContact O-N 3.18Å
688L96.3Very high96.1Very high47 Ų4758 Ų5825%0.24631%0.307CS..Hα-helixtrans-66-33.7178.1-74.5170000112.7P606 A607 Q684 T685 D686 V690 A691 N692P606-L688 HydrophobicContact CB-CD2 4.42Å; A607-L688 HydrophobicContact CB-CD1 4.19Å; A607-L688 HydrophobicContact CB-CD2 4.12Å; A607-L688 HydrophobicContact CB-CG 3.91Å; Q684-L688 WeakPolarHBondContact O-CB 3.3Å; Q684-L688 VanDerWaalsContact O-CG 3.27Å; Q684-L688 WeakPolarHBondContact O-CG 3.39Å; Q684-L688 PolarHBondContact O-N 2.9Å; T685-L688 PolarHBondContact O-N 3.07Å; D686-L688 VanDerWaalsContact C-N 3.34Å; D686-L688 PolarHBondContact O-N 3.27Å; L688-V690 VanDerWaalsContact C-N 3.33Å; L688-A691 PolarHBondContact O-N 2.88Å; L688-N692 WeakPolarHBondContact O-CB 3.26Å; L688-N692 PolarHBondContact O-N 3.04Å; L688-N692 PolarHBondContact O-ND2 3.21Å; L688-N692 VanDerWaalsContact O-ND2 3.13Å
689K97.1Very high96.1Very high112 Ų11257.9 Ų57.949%0.48730%0.303SS..Hα-helixtrans-60.8-44172.9-70.8170.6-167.7156.50111.2T685 D686 R687 N692 Q693T685-K689 WeakPolarHBondContact O-CG 3.33Å; T685-K689 PolarHBondContact O-N 3.26Å; D686-K689 WeakPolarHBondContact O-CB 3.46Å; D686-K689 PolarHBondContact O-N 2.9Å; D686-K689 IonicContact OD1-NZ 2.79Å; D686-K689 PolarHBondContact OD1-NZ 2.98Å; R687-K689 VanDerWaalsContact C-N 3.34Å; R687-K689 PolarHBondContact O-N 3.26Å; K689-N692 PolarHBondContact O-N 2.74Å; K689-Q693 WeakPolarHBondContact O-CG 3.48Å; K689-Q693 PolarHBondContact O-N 3.47Å
690V97.5Very high96.1Very high45 Ų4557.9 Ų57.927%0.27330%0.303SS..Hα-helixtrans-63.8-47.5176.3175.60000110.4L675 L679 D686 R687 L688 N692 Q693 I694L675-V690 HydrophobicContact CD1-CG1 4.29Å; L679-V690 HydrophobicContact CD2-CG1 4.41Å; D686-V690 PolarHBondContact O-N 3.18Å; D686-V690 VanDerWaalsContact O-N 3.16Å; R687-V690 PolarHBondContact O-N 3.03Å; L688-V690 VanDerWaalsContact C-N 3.33Å; V690-N692 VanDerWaalsContact C-N 3.33Å; V690-N692 PolarHBondContact O-N 3.4Å; V690-Q693 CarbonylContact O-C 3.37Å; V690-Q693 PolarHBondContact O-N 2.88Å; V690-I694 PolarHBondContact O-N 2.93Å
691A97Very high95.9Very high1 Ų162.5 Ų62.51%0.00833%0.327CS..Hα-helixtrans-56.9-44177.200000112.7W610 R687 L688 Q693 I694W610-A691 HydrophobicContact CB-CB 4.24Å; W610-A691 HydrophobicContact CD2-CB 3.39Å; W610-A691 HydrophobicContact CE3-CB 3.89Å; W610-A691 HydrophobicContact CG-CB 3.53Å; W610-A691 HydrophobicContact CZ2-CB 4.2Å; W610-A691 HydrophobicContact CZ3-CB 4.47Å; R687-A691 PolarHBondContact O-N 3.18Å; L688-A691 PolarHBondContact O-N 2.88Å; A691-Q693 PolarHBondContact O-N 3.48Å; A691-Q693 VanDerWaalsContact O-N 3.17Å; A691-I694 VanDerWaalsContact O-CB 3.27Å; A691-I694 WeakPolarHBondContact O-CB 3.4Å; A691-I694 WeakPolarHBondContact O-CG2 3.48Å; A691-I694 PolarHBondContact O-N 2.72Å; A691-I694 VanDerWaalsContact O-N 3.15Å
692N96Very high95.8Very high132 Ų13266.2 Ų66.271%0.70635%0.35SS*.Hα-helixtrans-64.8-19.4177.8-71.4-28.3000113.6L688 K689 V690L688-N692 WeakPolarHBondContact O-CB 3.26Å; L688-N692 PolarHBondContact O-N 3.04Å; L688-N692 PolarHBondContact O-ND2 3.21Å; L688-N692 VanDerWaalsContact O-ND2 3.13Å; K689-N692 PolarHBondContact O-N 2.74Å; V690-N692 VanDerWaalsContact C-N 3.33Å; V690-N692 PolarHBondContact O-N 3.4Å
693Q96.1Very high95.8Very high133 Ų13362.9 Ų62.962%0.62134%0.339SS*.THydrogen-bonded Turntrans-11113.6179.8-63.1177.2700112K689 V690 A691 K695 S696K689-Q693 WeakPolarHBondContact O-CG 3.48Å; K689-Q693 PolarHBondContact O-N 3.47Å; V690-Q693 CarbonylContact O-C 3.37Å; V690-Q693 PolarHBondContact O-N 2.88Å; A691-Q693 PolarHBondContact O-N 3.48Å; A691-Q693 VanDerWaalsContact O-N 3.17Å; Q693-K695 PolarHBondContact O-N 3.38Å; Q693-K695 VanDerWaalsContact O-N 3.16Å; Q693-S696 WeakPolarHBondContact O-CA 3.29Å; Q693-S696 WeakPolarHBondContact O-CB 3.45Å; Q693-S696 PolarHBondContact O-N 3.41Å
694I96.1Very high95.8Very high1 Ų161.4 Ų61.41%0.00534%0.342CS..G310 helixtrans-58.8-34.9-171.1-165.1164.1000112.7A122 W610 L613 L675 V690 A691 S696 S697 L700 W706A122-I694 HydrophobicContact CB-CD1 4.04Å; A122-I694 HydrophobicContact CB-CG2 4.48Å; W610-I694 HydrophobicContact CE3-CD1 4.3Å; W610-I694 HydrophobicContact CZ3-CD1 3.71Å; L613-I694 HydrophobicContact CD2-CD1 4.02Å; L675-I694 HydrophobicContact CD1-CG1 4.23Å; V690-I694 PolarHBondContact O-N 2.93Å; A691-I694 VanDerWaalsContact O-CB 3.27Å; A691-I694 WeakPolarHBondContact O-CB 3.4Å; A691-I694 WeakPolarHBondContact O-CG2 3.48Å; A691-I694 PolarHBondContact O-N 2.72Å; A691-I694 VanDerWaalsContact O-N 3.15Å; I694-S696 PolarHBondContact O-N 3.48Å; I694-S697 WeakPolarHBondContact O-CB 3.47Å; I694-S697 PolarHBondContact O-N 2.89Å; I694-L700 HydrophobicContact CD1-CD1 4.29Å; I694-L700 HydrophobicContact CG1-CD1 3.62Å; I694-W706 HydrophobicContact CG2-CH2 3.99Å
695K93.2Very high95.6Very high104 Ų10463.4 Ų63.445%0.45235%0.354SS..G310 helixtrans-62.4-23.1175.8-66.3178.2-175.61660113.6E126 Q693 W706E126-K695 VanDerWaalsContact OE1-CE 3.26Å; E126-K695 WeakPolarHBondContact OE1-CE 3.4Å; E126-K695 IonicContact OE1-NZ 2.69Å; E126-K695 PolarHBondContact OE1-NZ 3.47Å; E126-K695 WeakPolarHBondContact OE2-CE 3.27Å; E126-K695 IonicContact OE2-NZ 2.74Å; E126-K695 PolarHBondContact OE2-NZ 2.94Å; Q693-K695 PolarHBondContact O-N 3.38Å; Q693-K695 VanDerWaalsContact O-N 3.16Å; K695-W706 HydrophobicContact CB-CZ2 4.33Å; K695-W706 HydrophobicContact CD-CD2 4.45Å; K695-W706 HydrophobicContact CD-CE3 4.15Å; K695-W706 HydrophobicContact CD-CZ3 4.31Å; K695-W706 VanDerWaalsContact CE-CE3 3.46Å; K695-W706 HydrophobicContact CG-CD2 4.04Å; K695-W706 HydrophobicContact CG-CE3 3.87Å; K695-W706 HydrophobicContact CG-CH2 3.66Å; K695-W706 HydrophobicContact CG-CZ2 3.77Å; K695-W706 HydrophobicContact CG-CZ3 3.7Å
696S94.1Very high95.5Very high92 Ų9260.6 Ų60.664%0.64333%0.333SS*.G310 helixtrans-96.46.5178.1-55.10000113Q693 I694Q693-S696 WeakPolarHBondContact O-CA 3.29Å; Q693-S696 WeakPolarHBondContact O-CB 3.45Å; Q693-S696 PolarHBondContact O-N 3.41Å; I694-S696 PolarHBondContact O-N 3.48Å
697S95.9Very high95.1Very high21 Ų2164.3 Ų64.315%0.14735%0.353CS..  trans-68.3130.2176.5178.50000111.3I694 F699 L700 I701I694-S697 WeakPolarHBondContact O-CB 3.47Å; I694-S697 PolarHBondContact O-N 2.89Å; S697-F699 PolarHBondContact O-N 3.28Å; S697-F699 PolarHBondContact OG-N 3.2Å; S697-L700 PolarHBondContact O-N 2.82Å; S697-I701 WeakPolarHBondContact O-CG1 3.45Å; S697-I701 PolarHBondContact O-N 2.98Å
698D96.8Very high94.7Very high112 Ų11267.9 Ų67.960%0.59937%0.373SS*.THydrogen-bonded Turntrans-51.7-29.5174.9-65.1-28.8000113.3A671 P702A671-D698 HydrophobicContact CB-CB 3.94Å; D698-P702 WeakPolarHBondContact O-CD 3.48Å
699F97.6Very high94.4Very high11 Ų1165.7 Ų65.75%0.04836%0.361CS..THydrogen-bonded Turntrans-72.1-30.7178.5-175-105.5000112.9E111 A115 L617 L621 A671 A672 L675 S697E111-F699 HydrophobicContact CB-CE2 3.8Å; E111-F699 HydrophobicContact CB-CZ 4.19Å; E111-F699 HydrophobicContact CG-CE2 3.93Å; E111-F699 HydrophobicContact CG-CZ 4.45Å; A115-F699 HydrophobicContact CB-CD1 4.31Å; A115-F699 HydrophobicContact CB-CE1 3.82Å; A115-F699 HydrophobicContact CB-CZ 4.19Å; L617-F699 HydrophobicContact CD1-CE1 3.71Å; L617-F699 HydrophobicContact CD1-CZ 4.07Å; L617-F699 HydrophobicContact CD2-CD1 4.39Å; L617-F699 HydrophobicContact CD2-CE1 4.22Å; L621-F699 HydrophobicContact CD1-CZ 4.22Å; L621-F699 HydrophobicContact CD2-CZ 4.43Å; A671-F699 HydrophobicContact CB-CB 4.05Å; A671-F699 HydrophobicContact CB-CD2 4.47Å; A672-F699 HydrophobicContact CB-CD2 3.63Å; A672-F699 HydrophobicContact CB-CE2 3.58Å; A672-F699 HydrophobicContact CB-CG 4.45Å; A672-F699 HydrophobicContact CB-CZ 4.39Å; L675-F699 HydrophobicContact CB-CB 4.43Å; L675-F699 HydrophobicContact CD2-CB 4.11Å; L675-F699 HydrophobicContact CD2-CD1 3.76Å; L675-F699 HydrophobicContact CD2-CG 4.32Å; S697-F699 PolarHBondContact O-N 3.28Å; S697-F699 PolarHBondContact OG-N 3.2Å
700L97.2Very high93.9Very high0 Ų064.9 Ų64.90%036%0.362CS..THydrogen-bonded Turntrans-102.5-17.2-174.9-57.5-177.4000113.4A115 T118 V119 L675 I694 S697 P702 V703 W706A115-L700 HydrophobicContact CB-CD2 3.93Å; T118-L700 HydrophobicContact CG2-CD1 4.22Å; T118-L700 HydrophobicContact CG2-CD2 4.04Å; V119-L700 HydrophobicContact CG2-CB 4.31Å; V119-L700 HydrophobicContact CG2-CD1 4.32Å; V119-L700 HydrophobicContact CG2-CD2 4.08Å; V119-L700 HydrophobicContact CG2-CG 4.47Å; L675-L700 HydrophobicContact CD2-CD1 4.09Å; L675-L700 HydrophobicContact CD2-CD2 4.32Å; L675-L700 HydrophobicContact CD2-CG 3.99Å; I694-L700 HydrophobicContact CD1-CD1 4.29Å; I694-L700 HydrophobicContact CG1-CD1 3.62Å; S697-L700 PolarHBondContact O-N 2.82Å; L700-P702 VanDerWaalsContact C-N 3.27Å; L700-V703 WeakPolarHBondContact O-CB 3.37Å; L700-V703 PolarHBondContact O-N 3.24Å; L700-W706 HydrophobicContact CB-CZ2 4.33Å; L700-W706 HydrophobicContact CD1-CH2 4.24Å; L700-W706 HydrophobicContact CD1-CZ2 3.93Å
701I95.2Very high93.4Very high101 Ų10168.8 Ų68.852%0.51838%0.381SS..G310 helixtrans-48.5-43174-73.7172000112.6S697 V703 G704S697-I701 WeakPolarHBondContact O-CG1 3.45Å; S697-I701 PolarHBondContact O-N 2.98Å; I701-V703 PolarHBondContact O-N 3.26Å; I701-V703 VanDerWaalsContact O-N 3.14Å; I701-G704 PolarHBondContact O-N 2.98Å
702P94.2Very high93Very high108 Ų10871.4 Ų71.470%0.70140%0.395SS*.G310 helixtrans-64.3-16.5-178.9-24.435.8000115.4D698 L700 G704D698-P702 WeakPolarHBondContact O-CD 3.48Å; L700-P702 VanDerWaalsContact C-N 3.27Å; P702-G704 VanDerWaalsContact C-N 3.28Å; P702-G704 PolarHBondContact O-N 3.35Å
703V94.9Very high92.7Very high14 Ų1473.3 Ų73.39%0.08540%0.399CS..G310 helixtrans-68.5-29.2178.5-179.70000111.4A115 I116 V119 L700 I701 L709 L712A115-V703 HydrophobicContact CB-CG2 3.63Å; I116-V703 HydrophobicContact CG1-CG1 4.33Å; I116-V703 HydrophobicContact CG1-CG2 4.43Å; V119-V703 HydrophobicContact CB-CG1 4.44Å; V119-V703 HydrophobicContact CG2-CB 4.12Å; V119-V703 HydrophobicContact CG2-CG1 3.98Å; V119-V703 HydrophobicContact CG2-CG2 3.95Å; L700-V703 WeakPolarHBondContact O-CB 3.37Å; L700-V703 PolarHBondContact O-N 3.24Å; I701-V703 PolarHBondContact O-N 3.26Å; I701-V703 VanDerWaalsContact O-N 3.14Å; V703-L709 HydrophobicContact CG1-CD2 3.76Å; V703-L712 HydrophobicContact CG1-CD1 3.82Å
704G92.5Very high92.5Very high47 Ų4767.6 Ų67.649%0.48537%0.373SS..  trans88.4-138.1178.200000113.8I701 P702 W706I701-G704 PolarHBondContact O-N 2.98Å; P702-G704 VanDerWaalsContact C-N 3.28Å; P702-G704 PolarHBondContact O-N 3.35Å; G704-W706 PolarHBondContact O-N 3.39Å
705D91.6Very high92.2Very high95 Ų9568.2 Ų68.251%0.50838%0.377SS..  trans-78.7114.5-175-177.28.7000111.8N707 N708D705-N707 PolarHBondContact O-N 3.35Å; D705-N707 VanDerWaalsContact O-N 3.1Å; D705-N707 WeakPolarHBondContact OD1-CB 3.5Å; D705-N707 PolarHBondContact OD1-N 3.38Å; D705-N707 PolarHBondContact OD1-ND2 3.17Å; D705-N708 PolarHBondContact O-N 3.07Å
706W92.8Very high92.2Very high29 Ų2964 Ų6411%0.1136%0.359CS..THydrogen-bonded Turntrans-65.6-11.6179.7-70.629.5000113.5V119 A122 I123 I694 K695 L700 G704V119-W706 HydrophobicContact CB-CD2 4.41Å; V119-W706 HydrophobicContact CB-CH2 4.42Å; V119-W706 HydrophobicContact CB-CZ2 4.16Å; V119-W706 HydrophobicContact CG1-CB 4.38Å; V119-W706 HydrophobicContact CG1-CD2 3.37Å; V119-W706 HydrophobicContact CG1-CE3 3.71Å; V119-W706 HydrophobicContact CG1-CG 3.68Å; V119-W706 HydrophobicContact CG1-CH2 4.22Å; V119-W706 HydrophobicContact CG1-CZ2 3.98Å; V119-W706 HydrophobicContact CG1-CZ3 4.1Å; V119-W706 HydrophobicContact CG2-CD2 4.33Å; V119-W706 HydrophobicContact CG2-CH2 4.15Å; V119-W706 HydrophobicContact CG2-CZ2 3.49Å; V119-W706 VanDerWaalsContact CG2-CZ2 3.49Å; A122-W706 HydrophobicContact CB-CH2 3.93Å; A122-W706 HydrophobicContact CB-CZ3 3.94Å; I123-W706 HydrophobicContact CD1-CB 4.15Å; I123-W706 HydrophobicContact CD1-CD2 4.45Å; I123-W706 HydrophobicContact CD1-CE3 3.89Å; I123-W706 HydrophobicContact CG1-CD2 4.47Å; I123-W706 HydrophobicContact CG1-CE3 3.47Å; I123-W706 VanDerWaalsContact CG1-CE3 3.47Å; I123-W706 HydrophobicContact CG1-CZ3 3.88Å; I694-W706 HydrophobicContact CG2-CH2 3.99Å; K695-W706 HydrophobicContact CB-CZ2 4.33Å; K695-W706 HydrophobicContact CD-CD2 4.45Å; K695-W706 HydrophobicContact CD-CE3 4.15Å; K695-W706 HydrophobicContact CD-CZ3 4.31Å; K695-W706 VanDerWaalsContact CE-CE3 3.46Å; K695-W706 HydrophobicContact CG-CD2 4.04Å; K695-W706 HydrophobicContact CG-CE3 3.87Å; K695-W706 HydrophobicContact CG-CH2 3.66Å; K695-W706 HydrophobicContact CG-CZ2 3.77Å; K695-W706 HydrophobicContact CG-CZ3 3.7Å; L700-W706 HydrophobicContact CB-CZ2 4.33Å; L700-W706 HydrophobicContact CD1-CH2 4.24Å; L700-W706 HydrophobicContact CD1-CZ2 3.93Å; G704-W706 PolarHBondContact O-N 3.39Å
707N87.4Confident92.2Very high145 Ų14562.9 Ų62.978%0.77535%0.345SS*.THydrogen-bonded Turntrans-88.5-11.2174.9-55.6-67.8000113.5D705D705-N707 PolarHBondContact O-N 3.35Å; D705-N707 VanDerWaalsContact O-N 3.1Å; D705-N707 WeakPolarHBondContact OD1-CB 3.5Å; D705-N707 PolarHBondContact OD1-N 3.38Å; D705-N707 PolarHBondContact OD1-ND2 3.17Å
708N88.5Confident92Very high76 Ų7662.1 Ų62.141%0.40634%0.339SS..  trans-13050.5-174.1-163.827.1000112.1D705 D710 D711D705-N708 PolarHBondContact O-N 3.07Å; N708-D710 VanDerWaalsContact C-N 3.32Å; N708-D711 PolarHBondContact ND2-OD2 3.32Å; N708-D711 PolarHBondContact OD1-OD2 3.35Å
709L91Very high91.8Very high1 Ų160.4 Ų60.41%0.00533%0.328CS..G310 helixtrans-76.2-20.4-179.2-60.8178.5000112.8Y73 V119 E120 I123 V703 D711 L712Y73-L709 WeakPolarHBondContact OH-CD1 3.5Å; V119-L709 HydrophobicContact CG1-CD1 3.69Å; V119-L709 HydrophobicContact CG1-CD2 4.33Å; E120-L709 HydrophobicContact CG-CD1 4.05Å; I123-L709 HydrophobicContact CD1-CD1 3.86Å; V703-L709 HydrophobicContact CG1-CD2 3.76Å; L709-D711 PolarHBondContact O-N 3.43Å; L709-L712 HydrophobicContact CD2-CD1 3.59Å; L709-L712 WeakPolarHBondContact O-CB 3.35Å; L709-L712 PolarHBondContact O-N 2.89Å; L709-L712 VanDerWaalsContact O-N 3.14Å
710D86.4Confident91.4Very high95 Ų9562 Ų6251%0.50834%0.339SS..G310 helixtrans-60.9-22.2177.2-81.333.5000113.3K148 H150 N708K148-D710 IonicContact NZ-OD2 3.27Å; K148-D710 PolarHBondContact NZ-OD2 2.85Å; H150-D710 IonicContact CE1-OD1 3.91Å; H150-D710 IonicContact NE2-OD1 2.71Å; N708-D710 VanDerWaalsContact C-N 3.32Å
711D86.4Confident91Very high126 Ų12667.1 Ų67.167%0.67437%0.366SS*.G310 helixtrans-87.3-5.8-179.7-74.9-15.1000113.2N708 L709N708-D711 PolarHBondContact ND2-OD2 3.32Å; N708-D711 PolarHBondContact OD1-OD2 3.35Å; L709-D711 PolarHBondContact O-N 3.43Å
712L89.6Confident90.7Very high57 Ų5766.3 Ų66.330%0.29836%0.363SS..SBendtrans-83.5151.4-179.4-62178.5000112.1I116 V703 L709 M714I116-L712 HydrophobicContact CD1-CB 4.49Å; I116-L712 HydrophobicContact CD1-CD1 4.38Å; I116-L712 HydrophobicContact CG1-CD1 4.18Å; V703-L712 HydrophobicContact CG1-CD1 3.82Å; L709-L712 HydrophobicContact CD2-CD1 3.59Å; L709-L712 WeakPolarHBondContact O-CB 3.35Å; L709-L712 PolarHBondContact O-N 2.89Å; L709-L712 VanDerWaalsContact O-N 3.14Å; L712-M714 PolarHBondContact O-N 3.09Å
713E89.6Confident90.3Very high171 Ų17164.8 Ų64.880%0.79936%0.355SS*.  trans-71.5110.9168.8-174-18017700109.5
714M91.9Very high89.9Confident14 Ų1466.3 Ų66.37%0.06936%0.364CS..  trans-72.9140-177-67.6-52.4-66.900111.9I116 Y117 E120 K148 G149 L712 F716 I717I116-M714 HydrophobicContact CG2-CE 4.01Å; I116-M714 HydrophobicContact CG2-SD 4.09Å; Y117-M714 HydrophobicContact CD1-CE 4.29Å; Y117-M714 HydrophobicContact CE1-CE 3.7Å; E120-M714 WeakPolarHBondContact OE1-CE 3.23Å; K148-M714 WeakPolarHBondContact O-CG 3.08Å; G149-M714 WeakPolarHBondContact O-CE 3.44Å; L712-M714 PolarHBondContact O-N 3.09Å; M714-F716 PolarHBondContact O-N 3.44Å; M714-F716 VanDerWaalsContact O-N 3.09Å; M714-I717 HydrophobicContact CB-CD1 4.42Å; M714-I717 HydrophobicContact CB-CG1 4Å
715P90.5Very high89.7Confident14 Ų1465.2 Ų65.29%0.09135%0.348CS..SBendtrans-55.9-32.4-177.3-29.337.6000114.6H113 Y117H113-P715 HydrophobicContact CB-CB 3.67Å; H113-P715 HydrophobicContact CB-CG 3.54Å; Y117-P715 HydrophobicContact CD1-CG 4.27Å; Y117-P715 HydrophobicContact CD2-CG 4.19Å; Y117-P715 HydrophobicContact CE1-CB 4.48Å; Y117-P715 HydrophobicContact CE1-CG 3.9Å; Y117-P715 HydrophobicContact CE2-CB 3.75Å; Y117-P715 HydrophobicContact CE2-CG 3.78Å; Y117-P715 HydrophobicContact CG-CG 4.43Å
716F93.1Very high89.6Confident15 Ų1561 Ų617%0.06633%0.325CS..  trans-150.4127.1-179.9164.3-99000108.7L102 I145 G149 M714 P718 Y728L102-F716 HydrophobicContact CD1-CB 4.01Å; L102-F716 HydrophobicContact CD1-CD1 4.06Å; L102-F716 HydrophobicContact CD1-CD2 3.79Å; L102-F716 HydrophobicContact CD1-CE2 4.28Å; L102-F716 HydrophobicContact CD1-CG 3.67Å; L102-F716 HydrophobicContact CD2-CB 3.91Å; L102-F716 HydrophobicContact CD2-CD1 4.2Å; L102-F716 HydrophobicContact CD2-CG 4.16Å; I145-F716 HydrophobicContact CD1-CD1 3.95Å; I145-F716 HydrophobicContact CD1-CE1 4.09Å; I145-F716 HydrophobicContact CG2-CD1 4Å; I145-F716 HydrophobicContact CG2-CE1 4.14Å; G149-F716 WeakPolarHBondContact CA-O 3.49Å; M714-F716 PolarHBondContact O-N 3.44Å; M714-F716 VanDerWaalsContact O-N 3.09Å; F716-P718 HydrophobicContact CE1-CB 3.9Å; F716-P718 HydrophobicContact CE1-CG 4.32Å; F716-P718 HydrophobicContact CZ-CB 3.8Å; F716-Y728 AromaticContact CE2-CE1 3.83Å; F716-Y728 HydrophobicContact CE2-CE1 3.83Å; F716-Y728 AromaticContact CZ-CD1 3.89Å; F716-Y728 HydrophobicContact CZ-CD1 3.89Å; F716-Y728 AromaticContact CZ-CE1 3.41Å; F716-Y728 HydrophobicContact CZ-CE1 3.41Å; F716-Y728 VanDerWaalsContact CZ-CE1 3.41Å; F716-Y728 HydrophobicContact CZ-CE2 4.43Å; F716-Y728 AromaticContact CZ-CZ 3.7Å
717I93.5Very high89.4Confident68 Ų6862.2 Ų62.235%0.34933%0.331SS..  trans-116.3119.6171.7-55.8-176.1000106.9K148 M714K148-I717 WeakPolarHBondContact O-CG1 3.21Å; M714-I717 HydrophobicContact CB-CD1 4.42Å; M714-I717 HydrophobicContact CB-CG1 4Å
718P92.3Very high89.5Confident5 Ų556.5 Ų56.53%0.03230%0.299CS..  trans-68144.9179.828.1-34.1000110.9V95 D146 F716 P720 Y728V95-P718 HydrophobicContact CG1-CB 4.25Å; V95-P718 HydrophobicContact CG1-CG 3.82Å; D146-P718 WeakPolarHBondContact O-CD 3.32Å; D146-P718 WeakPolarHBondContact O-CG 3.36Å; F716-P718 HydrophobicContact CE1-CB 3.9Å; F716-P718 HydrophobicContact CE1-CG 4.32Å; F716-P718 HydrophobicContact CZ-CB 3.8Å; P718-P720 WeakPolarHBondContact O-CD 3.15Å; P718-Y728 HydrophobicContact CB-CD2 4.1Å; P718-Y728 HydrophobicContact CB-CE2 3.56Å
719H92.3Very high89.5Confident77 Ų7753.6 Ų53.636%0.35628%0.283SS..  trans-123.279.6174.8-62.8-42.1000109.4V440 R444 Y728V440-H719 WeakPolarHBondContact CG1-CD2 3.42Å; R444-H719 PolarHBondContact NE-O 2.96Å; R444-H719 PolarHBondContact NH2-O 3.38Å; H719-Y728 PolarHBondContact N-OH 3.38Å; H719-Y728 VanDerWaalsContact N-OH 3.12Å
720P89.3Confident89.2Confident45 Ų4556.2 Ų56.229%0.29230%0.297SS..  trans-67.3150.1174.429.4-35.8000111.4V95 P718 N722 D725V95-P720 HydrophobicContact CG1-CG 4.26Å; V95-P720 HydrophobicContact CG2-CB 3.59Å; V95-P720 HydrophobicContact CG2-CG 3.72Å; P718-P720 WeakPolarHBondContact O-CD 3.15Å; P720-N722 VanDerWaalsContact C-N 3.33Å; P720-D725 VanDerWaalsContact CA-OD2 3.24Å; P720-D725 WeakPolarHBondContact CA-OD2 3.31Å; P720-D725 HydrophobicContact CB-CB 3.7Å
721D87.6Confident89.1Confident106 Ų10652.9 Ų52.957%0.56728%0.279SS*.SBendtrans-71.3-31.2175.2-72.4-19.8000112R444 D725R444-D721 IonicContact NH2-OD1 3.93Å; D721-D725 PolarHBondContact N-OD2 3.06Å
722N89.8Confident88.8Confident84 Ų8449.1 Ų49.145%0.44926%0.255SS..SBendtrans-158.2176.6174.162.372.4000111.3P720 T724 D725P720-N722 VanDerWaalsContact C-N 3.33Å; N722-T724 PolarHBondContact O-N 3.01Å; N722-T724 VanDerWaalsContact O-N 3.13Å; N722-T724 WeakPolarHBondContact OD1-CA 3.21Å; N722-T724 PolarHBondContact OD1-N 3.18Å; N722-T724 PolarHBondContact OD1-OG1 3.05Å; N722-D725 VanDerWaalsContact O-CB 3.22Å; N722-D725 WeakPolarHBondContact O-CB 2.99Å; N722-D725 PolarHBondContact O-N 3.2Å; N722-D725 VanDerWaalsContact O-N 3.08Å; N722-D725 PolarHBondContact OD1-N 3.32Å
723S84.8Confident88.4Confident76 Ų7646.9 Ų46.953%0.53124%0.243SC..THydrogen-bonded Turntrans-65-16.6-175.7610000114.7I39I39-S723 VanDerWaalsContact CD1-CB 3.47Å; I39-S723 WeakPolarHBondContact CD1-O 3.19Å; I39-S723 WeakPolarHBondContact CD1-OG 3.29Å
724T87.3Confident87.7Confident46 Ų4645.1 Ų45.128%0.28223%0.23SC..THydrogen-bonded Turntrans-103.65.2176.768.20000113.9I16 K17 L29 I39 N722 T726I16-T724 HydrophobicContact CD1-CG2 4.22Å; K17-T724 WeakPolarHBondContact CE-O 3.35Å; K17-T724 PolarHBondContact NZ-O 3.4Å; L29-T724 HydrophobicContact CD2-CG2 4.13Å; I39-T724 HydrophobicContact CD1-CG2 3.87Å; N722-T724 PolarHBondContact O-N 3.01Å; N722-T724 VanDerWaalsContact O-N 3.13Å; N722-T724 WeakPolarHBondContact OD1-CA 3.21Å; N722-T724 PolarHBondContact OD1-N 3.18Å; N722-T724 PolarHBondContact OD1-OG1 3.05Å; T724-T726 PolarHBondContact O-N 3.16Å
725D87.5Confident86.7Confident24 Ų2451.6 Ų51.613%0.12825%0.254CS..  trans-65.5131.9176.1-173.1-1.9000110.2Y93 P720 D721 N722 F727Y93-D725 PolarHBondContact OH-O 3.15Å; P720-D725 VanDerWaalsContact CA-OD2 3.24Å; P720-D725 WeakPolarHBondContact CA-OD2 3.31Å; P720-D725 HydrophobicContact CB-CB 3.7Å; D721-D725 PolarHBondContact N-OD2 3.06Å; N722-D725 VanDerWaalsContact O-CB 3.22Å; N722-D725 WeakPolarHBondContact O-CB 2.99Å; N722-D725 PolarHBondContact O-N 3.2Å; N722-D725 VanDerWaalsContact O-N 3.08Å; N722-D725 PolarHBondContact OD1-N 3.32Å; D725-F727 WeakPolarHBondContact OD1-CB 3.3Å; D725-F727 PolarHBondContact OD1-N 3.17Å
726T89.7Confident85.7Confident7 Ų753.7 Ų53.74%0.04327%0.265CS..  trans-12616.6-179.659.10000112K17 I19 L29 Y93 T724 Y728 F729K17-T726 WeakPolarHBondContact CE-OG1 3.41Å; K17-T726 PolarHBondContact NZ-OG1 2.88Å; I19-T726 HydrophobicContact CB-CG2 4.43Å; I19-T726 HydrophobicContact CG2-CG2 3.46Å; I19-T726 VanDerWaalsContact CG2-CG2 3.46Å; L29-T726 HydrophobicContact CD2-CG2 4.33Å; Y93-T726 HydrophobicContact CE2-CG2 4.46Å; Y93-T726 WeakPolarHBondContact OH-CG2 3.44Å; T724-T726 PolarHBondContact O-N 3.16Å; T726-Y728 PolarHBondContact O-N 3.02Å; T726-Y728 VanDerWaalsContact O-N 3.1Å; T726-F729 WeakPolarHBondContact O-CB 3.27Å; T726-F729 PolarHBondContact O-N 3.4Å
727F89.1Confident84.3Confident54 Ų5459.2 Ų59.224%0.23729%0.291CS..Hα-helixtrans-49.6-39.9-175.4172.6-96.7000113.5L447 D725 F729 D730L447-F727 HydrophobicContact CB-CE1 4.13Å; L447-F727 HydrophobicContact CB-CE2 4.21Å; L447-F727 HydrophobicContact CB-CZ 3.44Å; L447-F727 VanDerWaalsContact CB-CZ 3.44Å; L447-F727 HydrophobicContact CD1-CE1 3.5Å; L447-F727 HydrophobicContact CD1-CZ 3.45Å; L447-F727 VanDerWaalsContact CD1-CZ 3.45Å; L447-F727 HydrophobicContact CD2-CZ 3.84Å; L447-F727 HydrophobicContact CG-CE1 4.25Å; L447-F727 HydrophobicContact CG-CZ 3.7Å; D725-F727 WeakPolarHBondContact OD1-CB 3.3Å; D725-F727 PolarHBondContact OD1-N 3.17Å; F727-F729 PolarHBondContact O-N 3.05Å; F727-D730 WeakPolarHBondContact O-CB 3.4Å; F727-D730 PolarHBondContact O-N 3.15Å
728Y89.3Confident82.8Confident25 Ų2559.7 Ų59.710%0.09829%0.289CS..Hα-helixtrans-68.4-19.4179.9-64.4-72.9000114V95 G96 F716 P718 H719 T726V95-Y728 VanDerWaalsContact O-CD2 3.29Å; V95-Y728 WeakPolarHBondContact O-CD2 3.2Å; G96-Y728 WeakPolarHBondContact O-CB 3.2Å; F716-Y728 AromaticContact CE2-CE1 3.83Å; F716-Y728 HydrophobicContact CE2-CE1 3.83Å; F716-Y728 AromaticContact CZ-CD1 3.89Å; F716-Y728 HydrophobicContact CZ-CD1 3.89Å; F716-Y728 AromaticContact CZ-CE1 3.41Å; F716-Y728 HydrophobicContact CZ-CE1 3.41Å; F716-Y728 VanDerWaalsContact CZ-CE1 3.41Å; F716-Y728 HydrophobicContact CZ-CE2 4.43Å; F716-Y728 AromaticContact CZ-CZ 3.7Å; P718-Y728 HydrophobicContact CB-CD2 4.1Å; P718-Y728 HydrophobicContact CB-CE2 3.56Å; H719-Y728 PolarHBondContact N-OH 3.38Å; H719-Y728 VanDerWaalsContact N-OH 3.12Å; T726-Y728 PolarHBondContact O-N 3.02Å; T726-Y728 VanDerWaalsContact O-N 3.1Å
729F88.1Confident81Confident15 Ų1561.8 Ų61.87%0.06630%0.303CS..Hα-helixtrans-82.6-22.4171.4-66.4-84.8000112.5Y93 L94 L144 T726 F727 I731 R732 N733Y93-F729 HydrophobicContact CE2-CD2 4.42Å; Y93-F729 AromaticContact CE2-CE2 3.59Å; Y93-F729 HydrophobicContact CE2-CE2 3.59Å; Y93-F729 HydrophobicContact CE2-CZ 4.16Å; L94-F729 WeakPolarHBondContact O-CE2 3.47Å; L94-F729 WeakPolarHBondContact O-CZ 3.48Å; L144-F729 HydrophobicContact CD2-CE1 4.19Å; T726-F729 WeakPolarHBondContact O-CB 3.27Å; T726-F729 PolarHBondContact O-N 3.4Å; F727-F729 PolarHBondContact O-N 3.05Å; F729-I731 PolarHBondContact O-N 3.39Å; F729-R732 PolarHBondContact O-N 3.49Å; F729-N733 PolarHBondContact O-N 3.48Å; F729-N733 VanDerWaalsContact O-N 3.1Å; F729-N733 PolarHBondContact O-ND2 3.47Å
730D85.2Confident79.4Confident57 Ų5765.9 Ų65.931%0.30532%0.323SS..Hα-helixtrans-69.2-23.9-176.8-63.3-23.9000112.5F727 N733 R734F727-D730 WeakPolarHBondContact O-CB 3.4Å; F727-D730 PolarHBondContact O-N 3.15Å; D730-N733 PolarHBondContact O-N 3.35Å; D730-R734 VanDerWaalsContact O-CB 3.3Å; D730-R734 WeakPolarHBondContact O-CB 3.21Å; D730-R734 VanDerWaalsContact O-CG 3.29Å; D730-R734 WeakPolarHBondContact O-CG 3.49Å; D730-R734 PolarHBondContact O-N 3.4Å; D730-R734 PolarHBondContact O-NE 2.76Å
731I83.4Confident77.8Confident24 Ų2471.3 Ų71.312%0.12334%0.344CS..Hα-helixtrans-59.9-52.5174.8-61.1161.6000109.3V105 F729 Y735V105-I731 HydrophobicContact CG2-CD1 3.78Å; V105-I731 HydrophobicContact CG2-CG2 4.4Å; F729-I731 PolarHBondContact O-N 3.39Å; I731-Y735 WeakPolarHBondContact O-CB 3.31Å; I731-Y735 PolarHBondContact O-N 3.02Å
732R81.3Confident76.3Confident48 Ų4869.1 Ų69.118%0.18133%0.333CS..Hα-helixtrans-64.4-43.1176.3175171.8172.8174.56.5112.5D98 D141 F729 R734 Y735 N736D98-R732 WeakPolarHBondContact OD2-CD 3.49Å; D98-R732 IonicContact OD2-CZ 3.09Å; D98-R732 IonicContact OD2-NE 2.82Å; D98-R732 IonicContact OD2-NH1 2.78Å; D98-R732 PolarHBondContact OD2-NH1 3.12Å; D98-R732 VanDerWaalsContact OD2-NH1 3.12Å; D141-R732 PolarHBondContact O-NH1 2.94Å; D141-R732 VanDerWaalsContact O-NH1 3.1Å; F729-R732 PolarHBondContact O-N 3.49Å; R732-R734 VanDerWaalsContact C-N 3.34Å; R732-R734 PolarHBondContact O-N 3.01Å; R732-Y735 PolarHBondContact O-N 3.45Å; R732-N736 VanDerWaalsContact CG-ND2 3.32Å; R732-N736 WeakPolarHBondContact CG-ND2 3.27Å; R732-N736 WeakPolarHBondContact O-CB 3.48Å; R732-N736 PolarHBondContact O-N 3.27Å; R732-N736 PolarHBondContact O-ND2 3.48Å
733N80Confident74.7Confident9 Ų965.9 Ų65.95%0.04832%0.315CS..Hα-helixtrans-62.8-42.5-178.4-68.8-26.5000111.5I19 F729 D730 N736 Q737 Y738I19-N733 PolarHBondContact O-ND2 3.39Å; F729-N733 PolarHBondContact O-N 3.48Å; F729-N733 VanDerWaalsContact O-N 3.1Å; F729-N733 PolarHBondContact O-ND2 3.47Å; D730-N733 PolarHBondContact O-N 3.35Å; N733-N736 PolarHBondContact O-N 3.28Å; N733-Q737 PolarHBondContact O-N 3.25Å; N733-Q737 VanDerWaalsContact O-N 3.14Å; N733-Y738 PolarHBondContact O-N 3.24Å
734R76.5Confident73.2Confident134 Ų13465.2 Ų65.251%0.50631%0.31SS..Hα-helixtrans-66.1-42.1173.9-73.9-176-74.7167.4-8.6112.1D730 R732 N736 Q737D730-R734 VanDerWaalsContact O-CB 3.3Å; D730-R734 WeakPolarHBondContact O-CB 3.21Å; D730-R734 VanDerWaalsContact O-CG 3.29Å; D730-R734 WeakPolarHBondContact O-CG 3.49Å; D730-R734 PolarHBondContact O-N 3.4Å; D730-R734 PolarHBondContact O-NE 2.76Å; R732-R734 VanDerWaalsContact C-N 3.34Å; R732-R734 PolarHBondContact O-N 3.01Å; R734-N736 VanDerWaalsContact C-N 3.3Å; R734-N736 PolarHBondContact O-N 2.88Å; R734-Q737 PolarHBondContact O-N 3.16Å; R734-Q737 VanDerWaalsContact O-N 3.11Å
735Y69.4Low71Confident151 Ų15166.3 Ų66.359%0.59232%0.324SS*.Hα-helixtrans-60.7-40.6177.6-173-95.3000112.1L104 I731 R732 Q737L104-Y735 HydrophobicContact CD1-CD2 4.31Å; L104-Y735 HydrophobicContact CD1-CG 4.41Å; I731-Y735 WeakPolarHBondContact O-CB 3.31Å; I731-Y735 PolarHBondContact O-N 3.02Å; R732-Y735 PolarHBondContact O-N 3.45Å; Y735-Q737 VanDerWaalsContact C-N 3.27Å; Y735-Q737 PolarHBondContact O-N 3.47Å
736N69.4Low68.9Low57 Ų5771.5 Ų71.531%0.30535%0.351SS..THydrogen-bonded Turntrans-83.73.2177.4-66.6-34000113.9R732 N733 R734 Y738R732-N736 VanDerWaalsContact CG-ND2 3.32Å; R732-N736 WeakPolarHBondContact CG-ND2 3.27Å; R732-N736 WeakPolarHBondContact O-CB 3.48Å; R732-N736 PolarHBondContact O-N 3.27Å; R732-N736 PolarHBondContact O-ND2 3.48Å; N733-N736 PolarHBondContact O-N 3.28Å; R734-N736 VanDerWaalsContact C-N 3.3Å; R734-N736 PolarHBondContact O-N 2.88Å; N736-Y738 HydrophobicContact CB-CD2 3.79Å; N736-Y738 HydrophobicContact CB-CE1 4.46Å; N736-Y738 HydrophobicContact CB-CE2 3.57Å; N736-Y738 HydrophobicContact CB-CG 4.35Å; N736-Y738 PolarHBondContact O-N 2.91Å
737Q65.1Low66.6Low132 Ų13275.3 Ų75.362%0.61737%0.374SS*.THydrogen-bonded Turntrans55.332.7-179.4-56-1800.600114.4N733 R734 Y735 S739N733-Q737 PolarHBondContact O-N 3.25Å; N733-Q737 VanDerWaalsContact O-N 3.14Å; R734-Q737 PolarHBondContact O-N 3.16Å; R734-Q737 VanDerWaalsContact O-N 3.11Å; Y735-Q737 VanDerWaalsContact C-N 3.27Å; Y735-Q737 PolarHBondContact O-N 3.47Å; Q737-S739 PolarHBondContact O-N 3.02Å
738Y61.1Low63.9Low77 Ų7786 Ų8630%0.30242%0.421SS..  trans-72.7120.3173.9-64.6-43.9000109.9K21 N733 N736K21-Y738 HydrophobicContact CB-CD2 4.16Å; K21-Y738 HydrophobicContact CB-CE1 4.42Å; K21-Y738 HydrophobicContact CB-CE2 3.99Å; K21-Y738 HydrophobicContact CB-CG 4.44Å; K21-Y738 HydrophobicContact CD-CD1 4.04Å; K21-Y738 HydrophobicContact CD-CE1 4Å; K21-Y738 HydrophobicContact CG-CE1 4.49Å; K21-Y738 PolarHBondContact O-OH 3.2Å; N733-Y738 PolarHBondContact O-N 3.24Å; N736-Y738 HydrophobicContact CB-CD2 3.79Å; N736-Y738 HydrophobicContact CB-CE1 4.46Å; N736-Y738 HydrophobicContact CB-CE2 3.57Å; N736-Y738 HydrophobicContact CB-CG 4.35Å; N736-Y738 PolarHBondContact O-N 2.91Å
739S54Low62.6Low49 Ų4989.1 Ų89.134%0.34344%0.437SS..  trans-71.5156.8171.765.80000111.2Q737 E741 D742 L743Q737-S739 PolarHBondContact O-N 3.02Å; S739-E741 PolarHBondContact O-N 3.34Å; S739-D742 PolarHBondContact N-OD2 3.07Å; S739-D742 WeakPolarHBondContact O-CB 3.43Å; S739-D742 PolarHBondContact O-N 3.44Å; S739-D742 WeakPolarHBondContact OG-CB 3.45Å; S739-D742 VanDerWaalsContact OG-CG 3.22Å; S739-D742 PolarHBondContact OG-N 3.13Å; S739-D742 PolarHBondContact OG-OD2 2.86Å; S739-L743 PolarHBondContact O-N 3.36Å; S739-L743 VanDerWaalsContact O-N 3.11Å
740E59.7Low61.3Low164 Ų16493 Ų9377%0.76646%0.457SS*.Hα-helixtrans-56.5-34.1169.4-82.4-167.4160.900111.2L743 C744E740-L743 PolarHBondContact O-N 2.79Å; E740-C744 VanDerWaalsContact O-CB 3.28Å; E740-C744 WeakPolarHBondContact O-CB 3.39Å; E740-C744 PolarHBondContact O-N 3.04Å; E740-C744 PolarHBondContact O-SG 2.9Å; E740-C744 VanDerWaalsContact O-SG 3.39Å
741E55.3Low59.9Low159 Ų15995 Ų9574%0.74347%0.465SS*.Hα-helixtrans-62.7-44.9173.2-67.4-177.3170.900111.2S739 L743 C744 A745S739-E741 PolarHBondContact O-N 3.34Å; E741-L743 PolarHBondContact O-N 3.22Å; E741-C744 CarbonylContact O-C 3.57Å; E741-C744 PolarHBondContact O-N 2.88Å; E741-C744 VanDerWaalsContact O-N 3.1Å; E741-A745 WeakPolarHBondContact O-CA 3.49Å; E741-A745 WeakPolarHBondContact O-CB 3.19Å; E741-A745 PolarHBondContact O-N 3.46Å
742D56.5Low58.5Low60 Ų6099.2 Ų99.232%0.32149%0.485SS..Hα-helixtrans-57.6-36.9175.6-80.2-62.9000112.9K21 K26 S739K21-D742 HydrophobicContact CD-CB 4.41Å; K21-D742 IonicContact NZ-OD1 3.11Å; K21-D742 PolarHBondContact NZ-OD1 2.9Å; K21-D742 VanDerWaalsContact NZ-OD1 3.09Å; K26-D742 WeakPolarHBondContact CE-O 3.41Å; K26-D742 PolarHBondContact NZ-O 3.38Å; S739-D742 PolarHBondContact N-OD2 3.07Å; S739-D742 WeakPolarHBondContact O-CB 3.43Å; S739-D742 PolarHBondContact O-N 3.44Å; S739-D742 WeakPolarHBondContact OG-CB 3.45Å; S739-D742 VanDerWaalsContact OG-CG 3.22Å; S739-D742 PolarHBondContact OG-N 3.13Å; S739-D742 PolarHBondContact OG-OD2 2.86Å
743L56.7Low57.1Low16 Ų16102.4 Ų102.48%0.08450%0.504CS..Hα-helixtrans-73.3-40.9177.1-69.8171.7000111.1P18 K21 K26 S739 E740 E741P18-L743 HydrophobicContact CB-CB 3.75Å; P18-L743 HydrophobicContact CB-CD2 4.34Å; P18-L743 HydrophobicContact CG-CB 3.62Å; K21-L743 HydrophobicContact CB-CD2 4.13Å; K26-L743 WeakPolarHBondContact CD-O 3.39Å; K26-L743 WeakPolarHBondContact CE-O 3.05Å; K26-L743 PolarHBondContact NZ-O 3.1Å; S739-L743 PolarHBondContact O-N 3.36Å; S739-L743 VanDerWaalsContact O-N 3.11Å; E740-L743 PolarHBondContact O-N 2.79Å; E741-L743 PolarHBondContact O-N 3.22Å
744C51.7Low55.6Low62 Ų62108.6 Ų108.642%0.41954%0.535SS..Hα-helixtrans-90.9-16.6-175.3-69.60000115.8E740 E741 N746 V747E740-C744 VanDerWaalsContact O-CB 3.28Å; E740-C744 WeakPolarHBondContact O-CB 3.39Å; E740-C744 PolarHBondContact O-N 3.04Å; E740-C744 PolarHBondContact O-SG 2.9Å; E740-C744 VanDerWaalsContact O-SG 3.39Å; E741-C744 CarbonylContact O-C 3.57Å; E741-C744 PolarHBondContact O-N 2.88Å; E741-C744 VanDerWaalsContact O-N 3.1Å; C744-N746 PolarHBondContact O-N 3.19Å; C744-V747 PolarHBondContact O-N 2.97Å; C744-V747 VanDerWaalsContact O-N 3.11Å
745A42.8Very low54.1Low69 Ų69106.8 Ų106.857%0.5754%0.537SS*.THydrogen-bonded Turntrans-57.5-4.1-160.700000119E741E741-A745 WeakPolarHBondContact O-CA 3.49Å; E741-A745 WeakPolarHBondContact O-CB 3.19Å; E741-A745 PolarHBondContact O-N 3.46Å
746N42.3Very low52.9Low132 Ų132103.4 Ų103.471%0.70653%0.532SS*.THydrogen-bonded Turntrans-132.617.6179.4-72.9-30.4000113.7C744 K748C744-N746 PolarHBondContact O-N 3.19Å; N746-K748 PolarHBondContact O-N 3.26Å
747V42.8Very low51.6Low87 Ų87107.3 Ų107.353%0.52755%0.551SS.*  trans-95.680.2176.6-168.80000109.2F28 C744F28-V747 HydrophobicContact CE1-CG2 3.72Å; F28-V747 HydrophobicContact CE2-CG2 4.28Å; F28-V747 HydrophobicContact CZ-CG2 3.34Å; C744-V747 PolarHBondContact O-N 2.97Å; C744-V747 VanDerWaalsContact O-N 3.11Å
748K30.8Very low50.3Low280 Ų280105 Ų105100%1.21755%0.545SS*.  trans-138.20160.9-86.4-167.5178.1177.40110.2N746N746-K748 PolarHBondContact O-N 3.26Å

Retrieved 748 of 748 residues in 382.2 ms (Link to these results)

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