A0A5K4EEF2_SCHMA Loading...

Putative beta-1,4-galactosyltransferase

AlphaFold DB , UniProt , Accession A0A5K4EEF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.2Low88.7Confident203 Ų20388.2 Ų88.2100%144%0.438SS*.  0133.70-62.9174.692.400107I56M1-I56 HydrophobicContact SD-CG2 4.43Å
2P82Confident88.7Confident128 Ų12885.3 Ų85.383%0.83145%0.447SS*.  trans-64145.5175.329-33.4000109.7
3Y88.7Confident88.8Confident188 Ų18889.6 Ų89.674%0.73748%0.48SS*.  trans-139.6158.2175.568.9-87.8000109.5V5Y3-V5 HydrophobicContact CD2-CG2 4.01Å; Y3-V5 HydrophobicContact CE2-CG2 3.76Å
4Y90.8Very high89Confident116 Ų11684.3 Ų84.346%0.45545%0.452SS..  trans-119.9145.3172.5-62.3-81.1000108.6F6 D33 I36 I251Y4-F6 HydrophobicContact CG-CE2 4.14Å; Y4-F6 HydrophobicContact CG-CZ 4.19Å; Y4-D33 HydrophobicContact CE2-CB 4.4Å; Y4-I36 HydrophobicContact CD2-CD1 3.84Å; Y4-I36 HydrophobicContact CD2-CG1 4.37Å; Y4-I36 HydrophobicContact CE2-CD1 4.17Å; Y4-I36 HydrophobicContact CE2-CG1 4.41Å; Y4-I251 HydrophobicContact CD1-CD1 3.76Å; Y4-I251 HydrophobicContact CE1-CD1 4.5Å; Y4-I251 HydrophobicContact CG-CD1 4.31Å
5V93.4Very high89.3Confident66 Ų6681.9 Ų81.940%0.444%0.443SS..  trans-106.5117.2170-178.50000107.2Y3 F250 I251Y3-V5 HydrophobicContact CD2-CG2 4.01Å; Y3-V5 HydrophobicContact CE2-CG2 3.76Å; V5-F250 HydrophobicContact CB-CB 3.97Å; V5-F250 HydrophobicContact CG1-CB 3.87Å; V5-F250 CarbonylContact O-C 3.59Å; V5-F250 VanDerWaalsContact O-CA 3.23Å; V5-F250 WeakPolarHBondContact O-CA 3.16Å; V5-F250 VanDerWaalsContact O-CB 3.32Å; V5-F250 WeakPolarHBondContact O-CB 3.47Å; V5-I251 PolarHBondContact O-N 2.61Å
6F94.2Very high89.6Confident53 Ų5384.1 Ų84.123%0.23245%0.447CS..EExtended strand (participates in β ladder)trans-105.1124.7175.7-64.5-89.4000109.6Y4 I8 A29 I32 I36 I251Y4-F6 HydrophobicContact CG-CE2 4.14Å; Y4-F6 HydrophobicContact CG-CZ 4.19Å; F6-I8 HydrophobicContact CB-CD1 4.3Å; F6-A29 HydrophobicContact CD1-CB 4.46Å; F6-A29 HydrophobicContact CD2-CB 4.07Å; F6-A29 HydrophobicContact CE1-CB 3.97Å; F6-A29 HydrophobicContact CE2-CB 3.5Å; F6-A29 VanDerWaalsContact CZ-CA 3.48Å; F6-A29 HydrophobicContact CZ-CB 3.48Å; F6-A29 VanDerWaalsContact CZ-CB 3.48Å; F6-I32 HydrophobicContact CE1-CD1 3.94Å; F6-I36 HydrophobicContact CE2-CD1 4.22Å; F6-I36 HydrophobicContact CZ-CD1 4.2Å; F6-I251 WeakPolarHBondContact CA-O 3.32Å; F6-I251 HydrophobicContact CD1-CB 3.63Å; F6-I251 HydrophobicContact CD1-CD1 4.09Å; F6-I251 HydrophobicContact CD1-CG1 4.47Å; F6-I251 HydrophobicContact CD1-CG2 3.69Å; F6-I251 HydrophobicContact CE1-CB 3.8Å; F6-I251 HydrophobicContact CE1-CD1 3.39Å; F6-I251 HydrophobicContact CE1-CG1 4.19Å; F6-I251 HydrophobicContact CE1-CG2 3.76Å; F6-I251 HydrophobicContact CG-CB 4.47Å; F6-I251 HydrophobicContact CZ-CD1 3.67Å
7V94Very high89.9Confident58 Ų5879.1 Ų79.135%0.35242%0.421SS..EExtended strand (participates in β ladder)trans-106.4115.2172.11790000107.6F250 I251 H252 F253V7-F250 HydrophobicContact CB-CD2 4.12Å; V7-F250 HydrophobicContact CG2-CB 3.96Å; V7-F250 HydrophobicContact CG2-CD2 3.74Å; V7-F250 HydrophobicContact CG2-CE2 4.39Å; V7-F250 HydrophobicContact CG2-CG 3.82Å; V7-I251 PolarHBondContact N-O 3.41Å; V7-H252 PolarHBondContact O-CD2 3.16Å; V7-F253 PolarHBondContact O-N 2.68Å
8I94.8Very high90.3Very high29 Ų2976.2 Ų76.215%0.14940%0.403CS..EExtended strand (participates in β ladder)trans-104.497.7179.6-47.6-56.5000108.5F6 L21 V24 F253 F255F6-I8 HydrophobicContact CB-CD1 4.3Å; I8-L21 HydrophobicContact CB-CB 4.32Å; I8-L21 HydrophobicContact CG2-CB 4.02Å; I8-L21 HydrophobicContact CG2-CD2 3.78Å; I8-L21 HydrophobicContact CG2-CG 4.49Å; I8-V24 HydrophobicContact CG2-CB 4.31Å; I8-V24 HydrophobicContact CG2-CG1 3.91Å; I8-F253 CarbonylContact C-O 3.51Å; I8-F253 WeakPolarHBondContact CA-O 3.48Å; I8-F253 HydrophobicContact CD1-CB 3.85Å; I8-F253 HydrophobicContact CD1-CD1 4.39Å; I8-F253 HydrophobicContact CG2-CD1 4.33Å; I8-F255 HydrophobicContact CG2-CB 4.39Å
9E92.7Very high90.6Very high81 Ų8172.2 Ų72.238%0.37938%0.382SS..EExtended strand (participates in β ladder)trans-85.9121.2-177.2-178.1-172.8140.400110.3A11 H252 F253 I254 F255E9-A11 PolarHBondContact O-N 2.92Å; E9-H252 VanDerWaalsContact CB-NE2 3.29Å; E9-H252 WeakPolarHBondContact CB-NE2 3.33Å; E9-H252 IonicContact OE2-CE1 2.81Å; E9-H252 PolarHBondContact OE2-CE1 3.05Å; E9-H252 IonicContact OE2-NE2 3.79Å; E9-H252 PolarHBondContact OE2-NE2 3.24Å; E9-F253 PolarHBondContact N-O 3.06Å; E9-I254 HydrophobicContact CB-CG1 4.31Å; E9-I254 CarbonylContact O-C 3.44Å; E9-I254 WeakPolarHBondContact O-CA 3.11Å; E9-F255 PolarHBondContact O-N 2.75Å
10Q93.4Very high90.8Very high33 Ų3368.6 Ų68.615%0.15436%0.362CS..EExtended strand (participates in β ladder)trans-76.7115.7169.3-170.6173.6-48.900110.5T14 P15 F16 L21 F255 P257Q10-T14 PolarHBondContact NE2-O 3.45Å; Q10-T14 PolarHBondContact NE2-OG1 2.82Å; Q10-P15 PolarHBondContact NE2-O 3.18Å; Q10-F16 HydrophobicContact CB-CD2 4.35Å; Q10-F16 HydrophobicContact CB-CE2 4.49Å; Q10-L21 HydrophobicContact CB-CD1 3.92Å; Q10-L21 HydrophobicContact CB-CD2 3.87Å; Q10-L21 HydrophobicContact CB-CG 4.47Å; Q10-L21 HydrophobicContact CG-CD2 4.45Å; Q10-F255 CarbonylContact C-O 3.44Å; Q10-F255 WeakPolarHBondContact CA-O 3.3Å; Q10-P257 HydrophobicContact CG-CG 3.86Å
11A90.1Very high91.1Very high15 Ų1565.6 Ų65.612%0.12435%0.347CS..  trans-85164.1168.900000111.8E9 I254 F255 D256E9-A11 PolarHBondContact O-N 2.92Å; A11-I254 HydrophobicContact CB-CG2 3.65Å; A11-F255 PolarHBondContact N-O 2.79Å; A11-D256 HydrophobicContact CB-CB 3.95Å
12G88.5Confident92.9Very high54 Ų5457.4 Ų57.456%0.55731%0.306SS*.SBendtrans90.1-164.1177.800000113
13T90.5Very high93.6Very high141 Ų14151.3 Ų51.387%0.86527%0.266SS*.SBendtrans-122.59.7-174.956.10000112.9
14T92Very high93.9Very high15 Ų1542.4 Ų42.49%0.09223%0.231CC..SBendtrans-66155.5174.155.30000110.2Q10 I258 Y261Q10-T14 PolarHBondContact NE2-O 3.45Å; Q10-T14 PolarHBondContact NE2-OG1 2.82Å; T14-I258 HydrophobicContact CG2-CB 4.44Å; T14-I258 HydrophobicContact CG2-CD1 3.44Å; T14-I258 VanDerWaalsContact CG2-CD1 3.44Å; T14-Y261 HydrophobicContact CG2-CD1 3.45Å; T14-Y261 VanDerWaalsContact CG2-CD1 3.45Å; T14-Y261 HydrophobicContact CG2-CE1 4.24Å; T14-Y261 HydrophobicContact CG2-CG 3.63Å
15P93Very high94.2Very high48 Ų4837.3 Ų37.331%0.31221%0.214SC..PPolyproline II helixtrans-52144.5170.7-25.134.5000111Q10 W103 Y261Q10-P15 PolarHBondContact NE2-O 3.18Å; P15-W103 HydrophobicContact CB-CB 4.27Å; P15-W103 WeakPolarHBondContact O-CZ3 3.48Å; P15-Y261 HydrophobicContact CG-CE2 4.12Å
16F94.5Very high94.4Very high117 Ų11734.2 Ų34.251%0.51320%0.196SC..PPolyproline II helixtrans-61.7138.9177.2-173.3-108.5000110.6Q10 R18 L21 G104Q10-F16 HydrophobicContact CB-CD2 4.35Å; Q10-F16 HydrophobicContact CB-CE2 4.49Å; F16-R18 HydrophobicContact CD1-CB 4.27Å; F16-R18 HydrophobicContact CE1-CB 3.71Å; F16-R18 HydrophobicContact CE1-CG 4Å; F16-L21 HydrophobicContact CD2-CD1 3.92Å; F16-L21 HydrophobicContact CE1-CD1 4.41Å; F16-L21 HydrophobicContact CE2-CD1 3.18Å; F16-L21 HydrophobicContact CZ-CD1 3.48Å; F16-L21 VanDerWaalsContact CZ-CD1 3.48Å; F16-G104 WeakPolarHBondContact O-CA 3.44Å; F16-G104 PolarHBondContact O-N 2.78Å
17N94.7Very high94.5Very high0 Ų032.6 Ų32.60%019%0.189CC..  trans-130.590.9-179.9-173.7-25.5000109.9L20 L21 T100 H102 W103N17-L20 HydrophobicContact CB-CB 4.02Å; N17-L20 HydrophobicContact CB-CD2 4.32Å; N17-L20 PolarHBondContact O-N 3.17Å; N17-L20 WeakPolarHBondContact OD1-CB 3.24Å; N17-L20 PolarHBondContact OD1-N 3.32Å; N17-L21 VanDerWaalsContact O-CG 3.26Å; N17-L21 WeakPolarHBondContact O-CG 3.32Å; N17-L21 PolarHBondContact O-N 3.34Å; N17-T100 PolarHBondContact ND2-O 3.23Å; N17-H102 VanDerWaalsContact CG-O 3.28Å; N17-H102 PolarHBondContact OD1-O 3.48Å; N17-W103 HydrophobicContact CB-CD2 4.12Å; N17-W103 HydrophobicContact CB-CE3 3.65Å; N17-W103 HydrophobicContact CB-CH2 4.27Å; N17-W103 HydrophobicContact CB-CZ3 3.73Å; N17-W103 WeakPolarHBondContact ND2-CZ2 3.44Å
18R96.5Very high94.5Very high26 Ų2630.8 Ų30.810%0.09818%0.177CC..Hα-helixtrans-63-49-172.1-163.9175.179.5109.26.8112.4F16 L20 L21 F22 D43 G83 E108F16-R18 HydrophobicContact CD1-CB 4.27Å; F16-R18 HydrophobicContact CE1-CB 3.71Å; F16-R18 HydrophobicContact CE1-CG 4Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.16Å; R18-L21 PolarHBondContact O-N 3.02Å; R18-L21 VanDerWaalsContact O-N 3.17Å; R18-F22 HydrophobicContact CG-CD2 4.3Å; R18-F22 HydrophobicContact CG-CE1 4.46Å; R18-F22 HydrophobicContact CG-CE2 3.79Å; R18-F22 HydrophobicContact CG-CZ 3.87Å; R18-F22 VanDerWaalsContact CZ-CE2 3.45Å; R18-F22 PolarHBondContact O-N 3.06Å; R18-D43 WeakPolarHBondContact CD-OD1 3.22Å; R18-D43 IonicContact CZ-OD1 3.59Å; R18-D43 IonicContact NE-OD1 3.94Å; R18-D43 IonicContact NH1-OD1 2.88Å; R18-D43 PolarHBondContact NH1-OD1 2.92Å; R18-D43 IonicContact NH1-OD2 3.52Å; R18-G83 PolarHBondContact NH1-O 3.07Å; R18-E108 HydrophobicContact CB-CG 4.4Å; R18-E108 IonicContact CZ-OE1 2.96Å; R18-E108 IonicContact NE-OE1 3.5Å; R18-E108 PolarHBondContact NE-OE1 3.04Å; R18-E108 IonicContact NH2-OE1 3.6Å; R18-E108 PolarHBondContact NH2-OE1 3.04Å
19G96.4Very high94.6Very high0 Ų029.4 Ų29.40%017%0.17CC..Hα-helixtrans-58.7-43.9179.700000112.8L21 F22 D23 F98G19-L21 PolarHBondContact O-N 3Å; G19-F22 PolarHBondContact O-N 3.32Å; G19-D23 PolarHBondContact O-N 3.09Å; G19-F98 WeakPolarHBondContact O-CB 3.26Å
20L95.2Very high94.7Very high0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-59.4-45175175.762.6000112.6N17 R18 F22 D23 V24 T100 W103 L165 F255 P257 L260N17-L20 HydrophobicContact CB-CB 4.02Å; N17-L20 HydrophobicContact CB-CD2 4.32Å; N17-L20 PolarHBondContact O-N 3.17Å; N17-L20 WeakPolarHBondContact OD1-CB 3.24Å; N17-L20 PolarHBondContact OD1-N 3.32Å; R18-L20 VanDerWaalsContact C-N 3.35Å; R18-L20 PolarHBondContact O-N 3.16Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 2.83Å; L20-D23 PolarHBondContact O-N 3.5Å; L20-V24 HydrophobicContact CD1-CG2 4.31Å; L20-V24 WeakPolarHBondContact O-CB 3.18Å; L20-V24 WeakPolarHBondContact O-CG2 3.38Å; L20-V24 PolarHBondContact O-N 3.4Å; L20-T100 HydrophobicContact CB-CG2 4.46Å; L20-T100 HydrophobicContact CD1-CG2 3.85Å; L20-W103 HydrophobicContact CD2-CH2 3.94Å; L20-W103 HydrophobicContact CD2-CZ2 4.21Å; L20-L165 HydrophobicContact CD1-CD1 4.04Å; L20-L165 HydrophobicContact CD1-CD2 3.62Å; L20-L165 HydrophobicContact CD1-CG 4.43Å; L20-F255 HydrophobicContact CD1-CE1 4.4Å; L20-F255 HydrophobicContact CD1-CZ 3.91Å; L20-F255 HydrophobicContact CD2-CE1 3.55Å; L20-F255 HydrophobicContact CD2-CZ 3.8Å; L20-F255 HydrophobicContact CG-CE1 3.69Å; L20-F255 HydrophobicContact CG-CZ 3.72Å; L20-P257 HydrophobicContact CD2-CB 3.86Å; L20-L260 HydrophobicContact CD1-CD2 3.86Å; L20-L260 HydrophobicContact CD2-CD2 3.85Å
21L96.8Very high94.6Very high6 Ų628.8 Ų28.83%0.03117%0.17CC..Hα-helixtrans-66.6-35.6-179.3-63166.7000111.8I8 Q10 F16 N17 R18 G19 V24 G25 F255I8-L21 HydrophobicContact CB-CB 4.32Å; I8-L21 HydrophobicContact CG2-CB 4.02Å; I8-L21 HydrophobicContact CG2-CD2 3.78Å; I8-L21 HydrophobicContact CG2-CG 4.49Å; Q10-L21 HydrophobicContact CB-CD1 3.92Å; Q10-L21 HydrophobicContact CB-CD2 3.87Å; Q10-L21 HydrophobicContact CB-CG 4.47Å; Q10-L21 HydrophobicContact CG-CD2 4.45Å; F16-L21 HydrophobicContact CD2-CD1 3.92Å; F16-L21 HydrophobicContact CE1-CD1 4.41Å; F16-L21 HydrophobicContact CE2-CD1 3.18Å; F16-L21 HydrophobicContact CZ-CD1 3.48Å; F16-L21 VanDerWaalsContact CZ-CD1 3.48Å; N17-L21 VanDerWaalsContact O-CG 3.26Å; N17-L21 WeakPolarHBondContact O-CG 3.32Å; N17-L21 PolarHBondContact O-N 3.34Å; R18-L21 PolarHBondContact O-N 3.02Å; R18-L21 VanDerWaalsContact O-N 3.17Å; G19-L21 PolarHBondContact O-N 3Å; L21-V24 PolarHBondContact O-N 3.16Å; L21-G25 PolarHBondContact O-N 3.43Å; L21-F255 HydrophobicContact CD2-CB 4.32Å; L21-F255 HydrophobicContact CD2-CD1 3.51Å; L21-F255 HydrophobicContact CD2-CE1 4.03Å; L21-F255 HydrophobicContact CD2-CG 4.25Å
22F97.9Very high94.5Very high31 Ų3131.7 Ų31.714%0.13618%0.183CC..Hα-helixtrans-63.9-47.4173.2-74.3-19.8000112.7R18 G19 L20 V24 G25 V26 F41 F98R18-F22 HydrophobicContact CG-CD2 4.3Å; R18-F22 HydrophobicContact CG-CE1 4.46Å; R18-F22 HydrophobicContact CG-CE2 3.79Å; R18-F22 HydrophobicContact CG-CZ 3.87Å; R18-F22 VanDerWaalsContact CZ-CE2 3.45Å; R18-F22 PolarHBondContact O-N 3.06Å; G19-F22 PolarHBondContact O-N 3.32Å; L20-F22 VanDerWaalsContact C-N 3.32Å; L20-F22 PolarHBondContact O-N 2.83Å; F22-V24 VanDerWaalsContact C-N 3.28Å; F22-V24 PolarHBondContact O-N 3.44Å; F22-G25 WeakPolarHBondContact O-CA 3.48Å; F22-G25 PolarHBondContact O-N 3.42Å; F22-V26 WeakPolarHBondContact O-CG2 3.31Å; F22-V26 PolarHBondContact O-N 3.35Å; F22-F41 HydrophobicContact CB-CD1 3.56Å; F22-F41 HydrophobicContact CB-CE1 3.76Å; F22-F41 HydrophobicContact CD1-CB 4.35Å; F22-F41 AromaticContact CD1-CD1 3.83Å; F22-F41 HydrophobicContact CD1-CD1 3.83Å; F22-F41 HydrophobicContact CD2-CB 3.96Å; F22-F41 AromaticContact CD2-CD1 3.85Å; F22-F41 HydrophobicContact CD2-CD1 3.85Å; F22-F41 HydrophobicContact CD2-CG 4.17Å; F22-F41 HydrophobicContact CE1-CB 4.17Å; F22-F41 HydrophobicContact CE1-CD1 4.45Å; F22-F41 HydrophobicContact CE2-CB 3.73Å; F22-F41 HydrophobicContact CE2-CD1 4.45Å; F22-F41 HydrophobicContact CE2-CG 4.43Å; F22-F41 HydrophobicContact CG-CB 4.26Å; F22-F41 AromaticContact CG-CD1 3.49Å; F22-F41 HydrophobicContact CG-CD1 3.49Å; F22-F41 VanDerWaalsContact CG-CD1 3.49Å; F22-F41 HydrophobicContact CG-CE1 4.22Å; F22-F41 HydrophobicContact CG-CG 4.24Å; F22-F41 HydrophobicContact CZ-CB 3.85Å; F22-F98 HydrophobicContact CB-CD2 3.84Å; F22-F98 HydrophobicContact CB-CE2 4.02Å; F22-F98 HydrophobicContact CB-CG 4.42Å; F22-F98 HydrophobicContact CD2-CD1 4.22Å; F22-F98 HydrophobicContact CD2-CD2 4.08Å; F22-F98 AromaticContact CD2-CE1 3.86Å; F22-F98 HydrophobicContact CD2-CE1 3.86Å; F22-F98 AromaticContact CD2-CE2 3.72Å; F22-F98 HydrophobicContact CD2-CE2 3.72Å; F22-F98 HydrophobicContact CD2-CG 4.33Å; F22-F98 AromaticContact CD2-CZ 3.61Å; F22-F98 HydrophobicContact CD2-CZ 3.61Å; F22-F98 HydrophobicContact CE2-CE1 4.29Å; F22-F98 HydrophobicContact CE2-CZ 4.11Å; F22-F98 HydrophobicContact CG-CD2 4.49Å; F22-F98 HydrophobicContact CG-CE2 4.3Å
23D97.3Very high94.6Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-62-38.3176.4-83.61.8000111.8G19 L20 G25 V26 L27 G97 F98 L162 L165G19-D23 PolarHBondContact O-N 3.09Å; L20-D23 PolarHBondContact O-N 3.5Å; D23-G25 VanDerWaalsContact C-N 3.33Å; D23-V26 WeakPolarHBondContact O-CB 3.41Å; D23-V26 PolarHBondContact O-N 3.44Å; D23-L27 WeakPolarHBondContact O-CG 3.32Å; D23-L27 PolarHBondContact O-N 3.39Å; D23-L27 VanDerWaalsContact O-N 3.1Å; D23-G97 WeakPolarHBondContact OD1-CA 3.22Å; D23-F98 PolarHBondContact OD1-N 3.16Å; D23-F98 PolarHBondContact OD2-N 3.47Å; D23-F98 VanDerWaalsContact OD2-O 3.06Å; D23-L162 HydrophobicContact CB-CD2 3.77Å; D23-L162 HydrophobicContact CB-CG 4.27Å; D23-L162 PolarHBondContact OD2-N 3.36Å; D23-L162 VanDerWaalsContact OD2-N 3.16Å; D23-L165 HydrophobicContact CB-CD1 3.61Å
24V95.9Very high94.8Very high1 Ų128 Ų281%0.00615%0.15CC..Hα-helixtrans-62.8-40.7172.5169.80000111.5I8 L20 L21 F22 V26 L27 H28 L165 Y171 F253 F255I8-V24 HydrophobicContact CG2-CB 4.31Å; I8-V24 HydrophobicContact CG2-CG1 3.91Å; L20-V24 HydrophobicContact CD1-CG2 4.31Å; L20-V24 WeakPolarHBondContact O-CB 3.18Å; L20-V24 WeakPolarHBondContact O-CG2 3.38Å; L20-V24 PolarHBondContact O-N 3.4Å; L21-V24 PolarHBondContact O-N 3.16Å; F22-V24 VanDerWaalsContact C-N 3.28Å; F22-V24 PolarHBondContact O-N 3.44Å; V24-V26 VanDerWaalsContact C-N 3.35Å; V24-L27 PolarHBondContact O-N 3.23Å; V24-H28 WeakPolarHBondContact O-CB 3.32Å; V24-H28 PolarHBondContact O-N 3.07Å; V24-L165 HydrophobicContact CG2-CD1 4.15Å; V24-Y171 HydrophobicContact CG1-CD2 4.32Å; V24-Y171 HydrophobicContact CG1-CE2 4.47Å; V24-F253 HydrophobicContact CG1-CD1 3.77Å; V24-F253 HydrophobicContact CG1-CE1 3.53Å; V24-F255 HydrophobicContact CB-CD2 4.41Å; V24-F255 HydrophobicContact CB-CE2 4.16Å; V24-F255 HydrophobicContact CG1-CD2 3.76Å; V24-F255 HydrophobicContact CG1-CE2 3.94Å; V24-F255 HydrophobicContact CG1-CG 4.3Å; V24-F255 HydrophobicContact CG2-CD2 3.86Å; V24-F255 HydrophobicContact CG2-CE1 4.17Å; V24-F255 HydrophobicContact CG2-CE2 3.17Å; V24-F255 HydrophobicContact CG2-CG 4.49Å; V24-F255 HydrophobicContact CG2-CZ 3.37Å
25G97Very high95Very high10 Ų1033.9 Ų33.910%0.10318%0.18CC..Hα-helixtrans-61-41.7174.600000112.6L21 F22 D23 H28 A29L21-G25 PolarHBondContact O-N 3.43Å; F22-G25 WeakPolarHBondContact O-CA 3.48Å; F22-G25 PolarHBondContact O-N 3.42Å; D23-G25 VanDerWaalsContact C-N 3.33Å; G25-H28 PolarHBondContact O-N 3.47Å; G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.48Å; G25-A29 PolarHBondContact O-N 3.5Å
26V97.6Very high95.1Very high1 Ų132.7 Ų32.71%0.00617%0.171CC..Hα-helixtrans-58.9-49.7174171.50000110.8F22 D23 V24 H28 A29 L30 F39 F41 I92 F93 L162F22-V26 WeakPolarHBondContact O-CG2 3.31Å; F22-V26 PolarHBondContact O-N 3.35Å; D23-V26 WeakPolarHBondContact O-CB 3.41Å; D23-V26 PolarHBondContact O-N 3.44Å; V24-V26 VanDerWaalsContact C-N 3.35Å; V26-H28 VanDerWaalsContact C-N 3.34Å; V26-H28 PolarHBondContact O-N 3.02Å; V26-A29 PolarHBondContact O-N 3.29Å; V26-L30 HydrophobicContact CG1-CD1 4.1Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 2.86Å; V26-L30 VanDerWaalsContact O-N 3.11Å; V26-F39 HydrophobicContact CB-CD1 4.41Å; V26-F39 HydrophobicContact CB-CE1 4.13Å; V26-F39 HydrophobicContact CG1-CE1 3.99Å; V26-F39 HydrophobicContact CG1-CE2 4.37Å; V26-F39 HydrophobicContact CG1-CZ 3.89Å; V26-F39 HydrophobicContact CG2-CD1 3.85Å; V26-F39 HydrophobicContact CG2-CE1 4.06Å; V26-F39 HydrophobicContact CG2-CG 4.22Å; V26-F41 HydrophobicContact CG2-CE1 3.7Å; V26-F41 HydrophobicContact CG2-CZ 3.73Å; V26-I92 HydrophobicContact CG1-CG2 4.39Å; V26-I92 HydrophobicContact CG2-CG2 4.35Å; V26-F93 HydrophobicContact CG1-CE2 3.99Å; V26-F93 HydrophobicContact CG1-CZ 4.33Å; V26-L162 HydrophobicContact CB-CD2 4.31Å; V26-L162 HydrophobicContact CG1-CD1 4.36Å; V26-L162 HydrophobicContact CG1-CD2 4.26Å
27L96.2Very high95.2Very high19 Ų1932.5 Ų32.510%0.09918%0.176CC..Hα-helixtrans-64.1-39.9180-64.8177.9000112D23 V24 D31 L162 L165 I166 Y171D23-L27 WeakPolarHBondContact O-CG 3.32Å; D23-L27 PolarHBondContact O-N 3.39Å; D23-L27 VanDerWaalsContact O-N 3.1Å; V24-L27 PolarHBondContact O-N 3.23Å; L27-D31 WeakPolarHBondContact O-CB 3.43Å; L27-D31 PolarHBondContact O-N 3.5Å; L27-D31 VanDerWaalsContact O-N 3.08Å; L27-L162 HydrophobicContact CD1-CD2 4.39Å; L27-L162 HydrophobicContact CD2-CD2 4Å; L27-L162 HydrophobicContact CG-CD2 3.92Å; L27-L165 HydrophobicContact CD1-CB 3.78Å; L27-L165 HydrophobicContact CD1-CD1 4.21Å; L27-I166 HydrophobicContact CD1-CG1 4.29Å; L27-I166 HydrophobicContact CD2-CD1 3.98Å; L27-I166 HydrophobicContact CD2-CG1 3.8Å; L27-Y171 HydrophobicContact CB-CD1 4.05Å; L27-Y171 HydrophobicContact CB-CD2 3.9Å; L27-Y171 HydrophobicContact CB-CE1 4.26Å; L27-Y171 HydrophobicContact CB-CE2 4.12Å; L27-Y171 HydrophobicContact CB-CG 3.89Å; L27-Y171 HydrophobicContact CD1-CD1 4.43Å; L27-Y171 HydrophobicContact CD1-CD2 4.3Å; L27-Y171 HydrophobicContact CD1-CG 3.85Å
28H94.1Very high95.3Very high19 Ų1934.2 Ų34.29%0.08819%0.187CC..Hα-helixtrans-70.9-39179.6-168.840.6000113.3V24 G25 V26 L30 D31 I32 Y171 F253V24-H28 WeakPolarHBondContact O-CB 3.32Å; V24-H28 PolarHBondContact O-N 3.07Å; G25-H28 PolarHBondContact O-N 3.47Å; V26-H28 VanDerWaalsContact C-N 3.34Å; V26-H28 PolarHBondContact O-N 3.02Å; H28-L30 VanDerWaalsContact C-N 3.34Å; H28-D31 PolarHBondContact O-N 3.3Å; H28-I32 PolarHBondContact O-N 3.22Å; H28-Y171 VanDerWaalsContact CA-OH 3.29Å; H28-Y171 WeakPolarHBondContact CA-OH 3.27Å; H28-Y171 HydrophobicContact CB-CE2 3.96Å; H28-Y171 PolarHBondContact ND1-OH 3.02Å; H28-F253 AromaticContact CD2-CD2 3.99Å; H28-F253 AromaticContact CD2-CG 3.82Å; H28-F253 AromaticContact CE1-CD2 3.97Å; H28-F253 AromaticContact NE2-CD2 3.78Å
29A95.2Very high95.4Very high1 Ų133.8 Ų33.81%0.00819%0.186CC..Hα-helixtrans-60.7-44.9174.300000111.3F6 G25 V26 D31 I32 D33 I36 F39F6-A29 HydrophobicContact CD1-CB 4.46Å; F6-A29 HydrophobicContact CD2-CB 4.07Å; F6-A29 HydrophobicContact CE1-CB 3.97Å; F6-A29 HydrophobicContact CE2-CB 3.5Å; F6-A29 VanDerWaalsContact CZ-CA 3.48Å; F6-A29 HydrophobicContact CZ-CB 3.48Å; F6-A29 VanDerWaalsContact CZ-CB 3.48Å; G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.48Å; G25-A29 PolarHBondContact O-N 3.5Å; V26-A29 PolarHBondContact O-N 3.29Å; A29-D31 VanDerWaalsContact C-N 3.31Å; A29-D31 PolarHBondContact O-N 3.32Å; A29-I32 PolarHBondContact O-N 2.79Å; A29-I32 VanDerWaalsContact O-N 3.16Å; A29-D33 PolarHBondContact O-N 3.31Å; A29-I36 HydrophobicContact CB-CD1 3.91Å; A29-F39 HydrophobicContact CB-CE1 3.92Å
30L95.2Very high95.5Very high24 Ų2436.3 Ų36.313%0.12620%0.199CC..Hα-helixtrans-71.1-23.1179-68.6175.9000114.5V26 H28 I32 P34 I36 F39 K89 F93V26-L30 HydrophobicContact CG1-CD1 4.1Å; V26-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 2.86Å; V26-L30 VanDerWaalsContact O-N 3.11Å; H28-L30 VanDerWaalsContact C-N 3.34Å; L30-I32 VanDerWaalsContact C-N 3.33Å; L30-P34 WeakPolarHBondContact O-CA 3.33Å; L30-I36 HydrophobicContact CD2-CB 4.32Å; L30-F39 HydrophobicContact CD1-CZ 4.21Å; L30-F39 HydrophobicContact CD2-CZ 3.98Å; L30-F39 HydrophobicContact CG-CZ 3.91Å; L30-K89 HydrophobicContact CD2-CD 4.08Å; L30-F93 HydrophobicContact CD1-CE2 3.56Å; L30-F93 HydrophobicContact CD1-CZ 3.56Å
31D91.1Very high95.7Very high77 Ų7736.7 Ų36.741%0.41220%0.201SC..Hα-helixtrans-73-28.2171.917684.1000112L27 H28 A29 K175L27-D31 WeakPolarHBondContact O-CB 3.43Å; L27-D31 PolarHBondContact O-N 3.5Å; L27-D31 VanDerWaalsContact O-N 3.08Å; H28-D31 PolarHBondContact O-N 3.3Å; A29-D31 VanDerWaalsContact C-N 3.31Å; A29-D31 PolarHBondContact O-N 3.32Å; D31-K175 IonicContact OD1-NZ 2.77Å; D31-K175 PolarHBondContact OD1-NZ 2.9Å; D31-K175 WeakPolarHBondContact OD2-CE 3.39Å; D31-K175 IonicContact OD2-NZ 2.59Å; D31-K175 PolarHBondContact OD2-NZ 3.26Å
32I88.4Confident95.7Very high75 Ų7539.5 Ų39.539%0.38521%0.213SC..Hα-helixtrans-87-46.3177.4-72.9168.3000111.3F6 H28 A29 L30 I251F6-I32 HydrophobicContact CE1-CD1 3.94Å; H28-I32 PolarHBondContact O-N 3.22Å; A29-I32 PolarHBondContact O-N 2.79Å; A29-I32 VanDerWaalsContact O-N 3.16Å; L30-I32 VanDerWaalsContact C-N 3.33Å; I32-I251 HydrophobicContact CD1-CD1 4.13Å; I32-I251 HydrophobicContact CD1-CG2 3.58Å; I32-I251 HydrophobicContact CG2-CD1 4.36Å
33D91.7Very high95.7Very high40 Ų4039.8 Ų39.821%0.21422%0.216CC..  trans-138.7101.4177.1178.34.9000109.9Y4 A29 D35 I36Y4-D33 HydrophobicContact CE2-CB 4.4Å; A29-D33 PolarHBondContact O-N 3.31Å; D33-D35 PolarHBondContact O-N 3.1Å; D33-D35 WeakPolarHBondContact OD1-CB 2.76Å; D33-D35 PolarHBondContact OD1-N 2.93Å; D33-I36 HydrophobicContact CB-CD1 3.85Å; D33-I36 HydrophobicContact CB-CG1 3.83Å; D33-I36 WeakPolarHBondContact O-CG1 3.18Å; D33-I36 PolarHBondContact O-N 3.32Å
34P94.7Very high95.6Very high79 Ų7946.7 Ų46.751%0.51326%0.258SS..THydrogen-bonded Turntrans-60.7-20.5177.6-24.534.8000114.5L30 K89L30-P34 WeakPolarHBondContact O-CA 3.33Å; P34-K89 PolarHBondContact O-NZ 3.31Å
35D94.8Very high95.5Very high137 Ų13748.7 Ų48.773%0.73327%0.269SS*.THydrogen-bonded Turntrans-85.4-8.5-175.8-65.4-31.4000113D33 N37D33-D35 PolarHBondContact O-N 3.1Å; D33-D35 WeakPolarHBondContact OD1-CB 2.76Å; D33-D35 PolarHBondContact OD1-N 2.93Å; D35-N37 PolarHBondContact O-N 3.45Å; D35-N37 VanDerWaalsContact O-N 3.09Å
36I95.4Very high95.5Very high23 Ų2348.7 Ų48.712%0.11827%0.266CS..  trans-54.5119.1171.8-67.6173.4000109.5Y4 F6 A29 L30 D33 F39 K89Y4-I36 HydrophobicContact CD2-CD1 3.84Å; Y4-I36 HydrophobicContact CD2-CG1 4.37Å; Y4-I36 HydrophobicContact CE2-CD1 4.17Å; Y4-I36 HydrophobicContact CE2-CG1 4.41Å; F6-I36 HydrophobicContact CE2-CD1 4.22Å; F6-I36 HydrophobicContact CZ-CD1 4.2Å; A29-I36 HydrophobicContact CB-CD1 3.91Å; L30-I36 HydrophobicContact CD2-CB 4.32Å; D33-I36 HydrophobicContact CB-CD1 3.85Å; D33-I36 HydrophobicContact CB-CG1 3.83Å; D33-I36 WeakPolarHBondContact O-CG1 3.18Å; D33-I36 PolarHBondContact O-N 3.32Å; I36-F39 HydrophobicContact CG2-CD1 4.45Å; I36-F39 HydrophobicContact CG2-CE1 3.89Å; I36-F39 HydrophobicContact CG2-CE2 4.24Å; I36-F39 HydrophobicContact CG2-CZ 3.77Å; I36-K89 WeakPolarHBondContact O-CD 3.42Å
37N96.8Very high95.4Very high114 Ų11453.2 Ų53.261%0.6129%0.29SS*.  trans-118.1-3-174.166.121.5000114.2D35 S88 K89D35-N37 PolarHBondContact O-N 3.45Å; D35-N37 VanDerWaalsContact O-N 3.09Å; N37-S88 CarbonylContact O-C 3.6Å; N37-S88 WeakPolarHBondContact O-CA 3.48Å; N37-K89 PolarHBondContact O-N 2.99Å
38C97.8Very high95.5Very high36 Ų3654.8 Ų54.824%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-136.5131.6-178.1175.10000110.1C57C38-C57 WeakPolarHBondContact CA-SG 2.97Å; C38-C57 HydrophobicContact CB-CB 3.66Å; C38-C57 WeakPolarHBondContact CB-SG 3.2Å; C38-C57 WeakPolarHBondContact SG-CB 3.34Å; C38-C57 PolarHBondContact SG-N 3.39Å; C38-C57 CovalentContact SG-SG 2.04Å; C38-C57 PolarHBondContact SG-SG 2.59Å
39F98.4Very high95.6Very high16 Ų1657.6 Ų57.67%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-122.6131.4177.7-59.9-94.6000109.9V26 A29 L30 I36 F41 C57 A86 M87 K89 I92V26-F39 HydrophobicContact CB-CD1 4.41Å; V26-F39 HydrophobicContact CB-CE1 4.13Å; V26-F39 HydrophobicContact CG1-CE1 3.99Å; V26-F39 HydrophobicContact CG1-CE2 4.37Å; V26-F39 HydrophobicContact CG1-CZ 3.89Å; V26-F39 HydrophobicContact CG2-CD1 3.85Å; V26-F39 HydrophobicContact CG2-CE1 4.06Å; V26-F39 HydrophobicContact CG2-CG 4.22Å; A29-F39 HydrophobicContact CB-CE1 3.92Å; L30-F39 HydrophobicContact CD1-CZ 4.21Å; L30-F39 HydrophobicContact CD2-CZ 3.98Å; L30-F39 HydrophobicContact CG-CZ 3.91Å; I36-F39 HydrophobicContact CG2-CD1 4.45Å; I36-F39 HydrophobicContact CG2-CE1 3.89Å; I36-F39 HydrophobicContact CG2-CE2 4.24Å; I36-F39 HydrophobicContact CG2-CZ 3.77Å; F39-F41 HydrophobicContact CB-CE1 4.45Å; F39-F41 HydrophobicContact CB-CE2 4Å; F39-F41 HydrophobicContact CB-CZ 3.89Å; F39-C57 PolarHBondContact N-SG 2.77Å; F39-A86 WeakPolarHBondContact O-CA 3.44Å; F39-M87 PolarHBondContact N-O 3.14Å; F39-M87 PolarHBondContact O-N 3.38Å; F39-K89 HydrophobicContact CD2-CB 4.48Å; F39-K89 HydrophobicContact CE2-CB 3.79Å; F39-K89 HydrophobicContact CE2-CG 4.11Å; F39-I92 HydrophobicContact CB-CD1 3.58Å; F39-I92 HydrophobicContact CD2-CD1 3.3Å; F39-I92 HydrophobicContact CE2-CD1 4.19Å; F39-I92 HydrophobicContact CG-CD1 3.65Å
40I98.3Very high95.7Very high53 Ų5362.2 Ų62.227%0.27233%0.334SS..EExtended strand (participates in β ladder)trans-109.1115.1171.3-45-60.9000107.2Y55 L64 V84 V85 A86I40-Y55 HydrophobicContact CB-CD1 4.5Å; I40-Y55 HydrophobicContact CG1-CD1 4.41Å; I40-Y55 HydrophobicContact CG2-CD1 3.78Å; I40-Y55 HydrophobicContact CG2-CE1 4.18Å; I40-Y55 HydrophobicContact CG2-CG 4.48Å; I40-L64 HydrophobicContact CD1-CD1 4.32Å; I40-L64 HydrophobicContact CG2-CD1 3.99Å; I40-V84 HydrophobicContact CG2-CG1 3.89Å; I40-V85 CarbonylContact C-O 3.57Å; I40-V85 WeakPolarHBondContact CA-O 3.16Å; I40-A86 HydrophobicContact CD1-CB 3.3Å
41F98.4Very high95.6Very high9 Ų966.2 Ų66.24%0.03936%0.364CS..EExtended strand (participates in β ladder)trans-93.6123.4175.2-56.1-77.2000107.8F22 V26 F39 V84 V85 I92 F98 F112F22-F41 HydrophobicContact CB-CD1 3.56Å; F22-F41 HydrophobicContact CB-CE1 3.76Å; F22-F41 HydrophobicContact CD1-CB 4.35Å; F22-F41 AromaticContact CD1-CD1 3.83Å; F22-F41 HydrophobicContact CD1-CD1 3.83Å; F22-F41 HydrophobicContact CD2-CB 3.96Å; F22-F41 AromaticContact CD2-CD1 3.85Å; F22-F41 HydrophobicContact CD2-CD1 3.85Å; F22-F41 HydrophobicContact CD2-CG 4.17Å; F22-F41 HydrophobicContact CE1-CB 4.17Å; F22-F41 HydrophobicContact CE1-CD1 4.45Å; F22-F41 HydrophobicContact CE2-CB 3.73Å; F22-F41 HydrophobicContact CE2-CD1 4.45Å; F22-F41 HydrophobicContact CE2-CG 4.43Å; F22-F41 HydrophobicContact CG-CB 4.26Å; F22-F41 AromaticContact CG-CD1 3.49Å; F22-F41 HydrophobicContact CG-CD1 3.49Å; F22-F41 VanDerWaalsContact CG-CD1 3.49Å; F22-F41 HydrophobicContact CG-CE1 4.22Å; F22-F41 HydrophobicContact CG-CG 4.24Å; F22-F41 HydrophobicContact CZ-CB 3.85Å; V26-F41 HydrophobicContact CG2-CE1 3.7Å; V26-F41 HydrophobicContact CG2-CZ 3.73Å; F39-F41 HydrophobicContact CB-CE1 4.45Å; F39-F41 HydrophobicContact CB-CE2 4Å; F39-F41 HydrophobicContact CB-CZ 3.89Å; F41-V84 CarbonylContact O-C 3.55Å; F41-V84 VanDerWaalsContact O-CA 3.26Å; F41-V84 WeakPolarHBondContact O-CA 3.35Å; F41-V85 HydrophobicContact CB-CG2 3.87Å; F41-V85 HydrophobicContact CD2-CG2 3.99Å; F41-V85 HydrophobicContact CG-CG2 4.37Å; F41-V85 PolarHBondContact N-O 3.04Å; F41-V85 PolarHBondContact O-N 3.03Å; F41-I92 HydrophobicContact CE2-CD1 3.71Å; F41-I92 HydrophobicContact CE2-CG1 4.16Å; F41-I92 HydrophobicContact CZ-CD1 3.66Å; F41-I92 HydrophobicContact CZ-CG1 4.22Å; F41-F98 HydrophobicContact CB-CE2 4.46Å; F41-F98 HydrophobicContact CB-CZ 4.28Å; F41-F98 AromaticContact CD1-CE2 3.75Å; F41-F98 HydrophobicContact CD1-CE2 3.75Å; F41-F98 HydrophobicContact CD1-CZ 4.38Å; F41-F98 AromaticContact CD2-CE2 3.73Å; F41-F98 HydrophobicContact CD2-CE2 3.73Å; F41-F98 HydrophobicContact CD2-CZ 4.05Å; F41-F98 HydrophobicContact CE1-CD2 4.34Å; F41-F98 AromaticContact CE1-CE2 3.76Å; F41-F98 HydrophobicContact CE1-CE2 3.76Å; F41-F98 AromaticContact CE2-CE2 3.74Å; F41-F98 HydrophobicContact CE2-CE2 3.74Å; F41-F98 HydrophobicContact CE2-CZ 4.45Å; F41-F98 AromaticContact CG-CE2 3.7Å; F41-F98 HydrophobicContact CG-CE2 3.7Å; F41-F98 AromaticContact CG-CZ 3.97Å; F41-F98 HydrophobicContact CG-CZ 3.97Å; F41-F98 HydrophobicContact CZ-CD2 4.4Å; F41-F98 AromaticContact CZ-CE2 3.74Å; F41-F98 HydrophobicContact CZ-CE2 3.74Å; F41-F112 HydrophobicContact CE2-CZ 4.21Å
42H98Very high95.9Very high64 Ų6467.1 Ų67.130%0.29637%0.366SS..  trans-141.4122.5-161.7-163.6-71000111.4L46 Y55 V84H42-L46 PolarHBondContact CE1-O 3.39Å; H42-Y55 AromaticContact CD2-CE1 3.32Å; H42-Y55 WeakPolarHBondContact CD2-CE1 3.23Å; H42-Y55 AromaticContact CD2-CZ 3.76Å; H42-Y55 PolarHBondContact CD2-OH 3.48Å; H42-Y55 AromaticContact NE2-CE1 3.48Å; H42-Y55 WeakPolarHBondContact NE2-CE1 3.45Å; H42-Y55 AromaticContact NE2-CZ 3.53Å; H42-Y55 PolarHBondContact NE2-OH 2.82Å; H42-V84 HydrophobicContact CB-CG1 4.27Å; H42-V84 WeakPolarHBondContact CD2-CG1 3.19Å
43D96.7Very high96.2Very high38 Ų3863.8 Ų63.820%0.20335%0.349CS..  trans-70134.4169.8-69.3-15.9000110.1R18 D45 L46 G83R18-D43 WeakPolarHBondContact CD-OD1 3.22Å; R18-D43 IonicContact CZ-OD1 3.59Å; R18-D43 IonicContact NE-OD1 3.94Å; R18-D43 IonicContact NH1-OD1 2.88Å; R18-D43 PolarHBondContact NH1-OD1 2.92Å; R18-D43 IonicContact NH1-OD2 3.52Å; D43-D45 WeakPolarHBondContact CB-OD1 3.08Å; D43-D45 PolarHBondContact O-N 3.48Å; D43-D45 VanDerWaalsContact O-N 3.16Å; D43-L46 HydrophobicContact CB-CD1 4.06Å; D43-L46 HydrophobicContact CB-CG 4.16Å; D43-L46 PolarHBondContact O-N 3.45Å; D43-G83 PolarHBondContact N-O 2.96Å; D43-G83 VanDerWaalsContact OD2-CA 3.32Å; D43-G83 WeakPolarHBondContact OD2-CA 3.37Å
44V94.9Very high96.3Very high144 Ų14468.2 Ų68.287%0.87337%0.367SS*.THydrogen-bonded Turntrans-66.9-17.3-174.368.80000113.1
45D94.8Very high96.4Very high43 Ų4368.5 Ų68.523%0.2336%0.358CS..THydrogen-bonded Turntrans-103.522.8-177.858.38.7000112.7D43 A135 P136 H138D43-D45 WeakPolarHBondContact CB-OD1 3.08Å; D43-D45 PolarHBondContact O-N 3.48Å; D43-D45 VanDerWaalsContact O-N 3.16Å; D45-A135 WeakPolarHBondContact O-CA 3.31Å; D45-P136 WeakPolarHBondContact O-CD 3.29Å; D45-H138 IonicContact OD2-CD2 3.83Å; D45-H138 IonicContact OD2-CE1 2.84Å; D45-H138 PolarHBondContact OD2-CE1 3.44Å; D45-H138 IonicContact OD2-NE2 3.76Å; D45-H138 PolarHBondContact OD2-NE2 3.42Å
46L96.9Very high96.4Very high10 Ų1065.3 Ų65.35%0.05234%0.34CS..  trans-122.2117.6173.3-70.6-177.9000110.3H42 D43 V68 V84 Y133 A135H42-L46 PolarHBondContact CE1-O 3.39Å; D43-L46 HydrophobicContact CB-CD1 4.06Å; D43-L46 HydrophobicContact CB-CG 4.16Å; D43-L46 PolarHBondContact O-N 3.45Å; L46-V68 HydrophobicContact CD2-CG1 3.69Å; L46-V68 HydrophobicContact CD2-CG2 4.06Å; L46-V84 HydrophobicContact CB-CG2 4.07Å; L46-V84 HydrophobicContact CD1-CG2 4.01Å; L46-Y133 HydrophobicContact CB-CD1 3.71Å; L46-Y133 HydrophobicContact CB-CE1 4.32Å; L46-A135 HydrophobicContact CD2-CB 3.97Å
47L96.4Very high96.4Very high97 Ų9765.7 Ų65.751%0.50834%0.344SS..EExtended strand (participates in β ladder)trans-110.8126178.2-60.4176.6000110.5Y133 K134 P136L47-Y133 CarbonylContact O-C 3.59Å; L47-Y133 VanDerWaalsContact O-CA 3.24Å; L47-Y133 WeakPolarHBondContact O-CA 3.3Å; L47-K134 PolarHBondContact N-O 2.84Å; L47-K134 PolarHBondContact O-N 3.46Å; L47-P136 HydrophobicContact CD1-CG 4.26Å
48P97Very high96.3Very high52 Ų5263.2 Ų63.234%0.33833%0.331SS..EExtended strand (participates in β ladder)trans-67136.217728.2-33.6000110.1K50 Y55 Y133P48-K50 VanDerWaalsContact C-N 3.31Å; P48-Y55 HydrophobicContact CG-CE2 4.34Å; P48-Y133 HydrophobicContact CB-CD1 4.34Å; P48-Y133 HydrophobicContact CB-CE1 3.85Å; P48-Y133 HydrophobicContact CB-CE2 4.25Å; P48-Y133 HydrophobicContact CG-CE1 4.3Å
49E97.4Very high96.2Very high77 Ų7766.5 Ų66.536%0.3635%0.35SS..SBendtrans-81.1-15.8177.7-62.4-170.9174.800112.9Y73 R132E49-Y73 PolarHBondContact OE1-OH 3.11Å; E49-Y73 VanDerWaalsContact OE1-OH 3.04Å; E49-R132 HydrophobicContact CB-CB 4.12Å; E49-R132 HydrophobicContact CG-CB 4.11Å; E49-R132 PolarHBondContact N-O 3.03Å
50K96.4Very high96.1Very high99 Ų9967.6 Ų67.643%0.4336%0.356SS..  trans-135130.3-171.4-70-60.6-177.5-179.70110.8P48 E52 N53P48-K50 VanDerWaalsContact C-N 3.31Å; K50-E52 VanDerWaalsContact CB-OE2 3.28Å; K50-E52 WeakPolarHBondContact CB-OE2 3.3Å; K50-E52 PolarHBondContact O-N 3.23Å; K50-N53 PolarHBondContact O-N 2.96Å
51S94.2Very high96.1Very high108 Ų10865.2 Ų65.276%0.75534%0.343SS*.THydrogen-bonded Turntrans-75.2-14.3178.253.90000112.7N53S51-N53 PolarHBondContact O-N 3.23Å
52E95.8Very high96Very high95 Ų9566.5 Ų66.544%0.44435%0.348SS..THydrogen-bonded Turntrans-69.8-14.1174.1-58.190.3155.100112.7K50 F54 I130K50-E52 VanDerWaalsContact CB-OE2 3.28Å; K50-E52 WeakPolarHBondContact CB-OE2 3.3Å; K50-E52 PolarHBondContact O-N 3.23Å; E52-F54 PolarHBondContact O-N 2.8Å; E52-I130 HydrophobicContact CB-CD1 4.43Å; E52-I130 HydrophobicContact CB-CG1 4.5Å; E52-I130 HydrophobicContact CB-CG2 4.13Å
53N96.1Very high96Very high5 Ų563.7 Ų63.73%0.02734%0.335CS..SBendtrans-78.687.8172.5-167.76.9000110.1K50 S51 Y55 L64 I130 Y133K50-N53 PolarHBondContact O-N 2.96Å; S51-N53 PolarHBondContact O-N 3.23Å; N53-Y55 VanDerWaalsContact O-CD2 3.3Å; N53-Y55 WeakPolarHBondContact O-CD2 3.27Å; N53-Y55 PolarHBondContact O-N 3.45Å; N53-L64 PolarHBondContact ND2-O 2.8Å; N53-I130 HydrophobicContact CB-CG2 3.75Å; N53-Y133 VanDerWaalsContact ND2-CE2 3.31Å; N53-Y133 WeakPolarHBondContact ND2-CE2 3.47Å; N53-Y133 PolarHBondContact ND2-OH 2.89Å
54F93.7Very high96.1Very high134 Ų13461.9 Ų61.959%0.58833%0.325SS*.  trans-72.4128.5-174.1-59.8-58.1000113.4E52 I56 R62E52-F54 PolarHBondContact O-N 2.8Å; F54-I56 VanDerWaalsContact C-N 3.3Å; F54-I56 HydrophobicContact CB-CD1 4.4Å; F54-I56 HydrophobicContact CB-CG1 3.84Å; F54-I56 PolarHBondContact O-N 3.19Å; F54-R62 PolarHBondContact O-NH2 2.78Å
55Y95.7Very high96.2Very high84 Ų8455.1 Ų55.133%0.32929%0.285SS..  trans-83.373177.6-79.1-140.4000110.1I40 H42 P48 N53 L64 Y133I40-Y55 HydrophobicContact CB-CD1 4.5Å; I40-Y55 HydrophobicContact CG1-CD1 4.41Å; I40-Y55 HydrophobicContact CG2-CD1 3.78Å; I40-Y55 HydrophobicContact CG2-CE1 4.18Å; I40-Y55 HydrophobicContact CG2-CG 4.48Å; H42-Y55 AromaticContact CD2-CE1 3.32Å; H42-Y55 WeakPolarHBondContact CD2-CE1 3.23Å; H42-Y55 AromaticContact CD2-CZ 3.76Å; H42-Y55 PolarHBondContact CD2-OH 3.48Å; H42-Y55 AromaticContact NE2-CE1 3.48Å; H42-Y55 WeakPolarHBondContact NE2-CE1 3.45Å; H42-Y55 AromaticContact NE2-CZ 3.53Å; H42-Y55 PolarHBondContact NE2-OH 2.82Å; P48-Y55 HydrophobicContact CG-CE2 4.34Å; N53-Y55 VanDerWaalsContact O-CD2 3.3Å; N53-Y55 WeakPolarHBondContact O-CD2 3.27Å; N53-Y55 PolarHBondContact O-N 3.45Å; Y55-L64 HydrophobicContact CD2-CD1 4.22Å; Y55-L64 HydrophobicContact CG-CD1 4.28Å; Y55-Y133 VanDerWaalsContact CE2-OH 3.25Å; Y55-Y133 WeakPolarHBondContact CE2-OH 3.34Å; Y55-Y133 VanDerWaalsContact CZ-OH 3.29Å; Y55-Y133 WeakPolarHBondContact OH-CE1 3.46Å; Y55-Y133 PolarHBondContact OH-OH 3.47Å
56I95.1Very high96.2Very high71 Ų7153.5 Ų53.536%0.36428%0.277SS..  trans-134.1159.1-177.949.6149.4000110.3M1 F54 R62M1-I56 HydrophobicContact SD-CG2 4.43Å; F54-I56 VanDerWaalsContact C-N 3.3Å; F54-I56 HydrophobicContact CB-CD1 4.4Å; F54-I56 HydrophobicContact CB-CG1 3.84Å; F54-I56 PolarHBondContact O-N 3.19Å; I56-R62 VanDerWaalsContact CD1-NH1 3.28Å; I56-R62 VanDerWaalsContact CG1-NH1 3.28Å; I56-R62 VanDerWaalsContact O-CD 3.28Å; I56-R62 WeakPolarHBondContact O-CD 3.34Å; I56-R62 PolarHBondContact O-NE 3.45Å; I56-R62 PolarHBondContact O-NH1 3.38Å
57C96.4Very high96.2Very high30 Ų3053 Ų5320%0.20327%0.274CS..  trans-103.1149.6175.3-58.40000110.8C38 F39 M87C38-C57 WeakPolarHBondContact CA-SG 2.97Å; C38-C57 HydrophobicContact CB-CB 3.66Å; C38-C57 WeakPolarHBondContact CB-SG 3.2Å; C38-C57 WeakPolarHBondContact SG-CB 3.34Å; C38-C57 PolarHBondContact SG-N 3.39Å; C38-C57 CovalentContact SG-SG 2.04Å; C38-C57 PolarHBondContact SG-SG 2.59Å; F39-C57 PolarHBondContact N-SG 2.77Å; C57-M87 PolarHBondContact SG-O 3.25Å
58D93.5Very high96.2Very high62 Ų6249.2 Ų49.233%0.33226%0.255SS..  trans-124.2-155.316758.520.6000109.5E60 R62D58-E60 VanDerWaalsContact C-N 3.26Å; D58-E60 PolarHBondContact O-N 2.79Å; D58-E60 WeakPolarHBondContact OD1-CA 3.43Å; D58-E60 WeakPolarHBondContact OD1-CB 3.31Å; D58-E60 PolarHBondContact OD1-N 3.26Å; D58-R62 WeakPolarHBondContact OD1-CG 3.29Å; D58-R62 WeakPolarHBondContact OD2-CD 3.42Å; D58-R62 IonicContact OD2-NH1 2.67Å
59T95.5Very high96.1Very high105 Ų10548 Ų4864%0.64425%0.246SC*.SBendtrans-80.6-2.3178.753.10000114N91T59-N91 PolarHBondContact O-ND2 2.87Å
60E97.3Very high95.9Very high40 Ų4047.6 Ų47.619%0.18725%0.246CC..SBendtrans-116.1-178.3-171.2-56.1-60170.700112.1D58 K122 T124D58-E60 VanDerWaalsContact C-N 3.26Å; D58-E60 PolarHBondContact O-N 2.79Å; D58-E60 WeakPolarHBondContact OD1-CA 3.43Å; D58-E60 WeakPolarHBondContact OD1-CB 3.31Å; D58-E60 PolarHBondContact OD1-N 3.26Å; E60-K122 HydrophobicContact CG-CB 4.36Å; E60-K122 PolarHBondContact OE2-N 3.23Å; E60-T124 HydrophobicContact CB-CG2 3.87Å; E60-T124 HydrophobicContact CG-CG2 3.99Å
61L97.8Very high95.7Very high2 Ų247 Ų471%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-91.3111.9165.6169.948000108.2A81 V85 M87 F112 K122 L123 T124L61-A81 HydrophobicContact CD2-CB 4.46Å; L61-V85 HydrophobicContact CD1-CB 4.06Å; L61-V85 HydrophobicContact CD1-CG1 4.34Å; L61-M87 HydrophobicContact CB-CE 3.79Å; L61-M87 HydrophobicContact CD1-CE 3.67Å; L61-M87 HydrophobicContact CD2-CE 4.07Å; L61-M87 HydrophobicContact CG-CE 4.01Å; L61-F112 HydrophobicContact CD1-CD1 4.48Å; L61-F112 HydrophobicContact CD1-CE1 3.75Å; L61-F112 HydrophobicContact CD2-CD1 4.32Å; L61-F112 HydrophobicContact CD2-CE1 4.26Å; L61-K122 PolarHBondContact N-O 3.44Å; L61-K122 VanDerWaalsContact O-O 3.14Å; L61-L123 HydrophobicContact CB-CD1 4.47Å; L61-L123 HydrophobicContact CD2-CD1 3.93Å; L61-L123 HydrophobicContact CG-CD1 3.69Å; L61-L123 CarbonylContact O-C 3.55Å; L61-L123 WeakPolarHBondContact O-CA 3.47Å; L61-T124 PolarHBondContact O-N 3.41Å
62R97.6Very high95.7Very high36 Ų3651.9 Ų51.914%0.13625%0.249CC..EExtended strand (participates in β ladder)trans-95.6122.1179.8-55.4177.855.6157.8-12.9110.7F54 I56 D58 L64 V85 A86 T124F54-R62 PolarHBondContact O-NH2 2.78Å; I56-R62 VanDerWaalsContact CD1-NH1 3.28Å; I56-R62 VanDerWaalsContact CG1-NH1 3.28Å; I56-R62 VanDerWaalsContact O-CD 3.28Å; I56-R62 WeakPolarHBondContact O-CD 3.34Å; I56-R62 PolarHBondContact O-NE 3.45Å; I56-R62 PolarHBondContact O-NH1 3.38Å; D58-R62 WeakPolarHBondContact OD1-CG 3.29Å; D58-R62 WeakPolarHBondContact OD2-CD 3.42Å; D58-R62 IonicContact OD2-NH1 2.67Å; R62-L64 HydrophobicContact CB-CD2 4.35Å; R62-V85 CarbonylContact O-C 3.5Å; R62-V85 WeakPolarHBondContact O-CA 3.4Å; R62-V85 WeakPolarHBondContact O-CB 3.18Å; R62-A86 HydrophobicContact CB-CB 4.11Å; R62-A86 PolarHBondContact N-O 2.78Å; R62-A86 PolarHBondContact O-N 2.97Å; R62-T124 WeakPolarHBondContact CA-O 3.27Å; R62-T124 WeakPolarHBondContact CG-OG1 3.46Å
63H97.7Very high95.7Very high5 Ų550.3 Ų50.32%0.02324%0.239CC..EExtended strand (participates in β ladder)trans-91.6105.9166.7178.7-172.7000108.9S65 S80 G82 V85 L123 T124 R125 P126H63-S65 PolarHBondContact CD2-N 3.45Å; H63-S65 PolarHBondContact NE2-O 2.96Å; H63-S65 PolarHBondContact NE2-OG 2.92Å; H63-S80 PolarHBondContact CE1-O 3.01Å; H63-S80 VanDerWaalsContact CE1-O 3.26Å; H63-S80 PolarHBondContact ND1-O 3.15Å; H63-G82 PolarHBondContact NE2-O 3.44Å; H63-G82 VanDerWaalsContact NE2-O 3.13Å; H63-V85 HydrophobicContact CB-CG1 4.39Å; H63-L123 HydrophobicContact CB-CD1 3.85Å; H63-L123 HydrophobicContact CB-CG 4.43Å; H63-T124 PolarHBondContact N-O 2.73Å; H63-R125 HydrophobicContact CB-CG 4.06Å; H63-R125 PolarHBondContact ND1-NE 3.4Å; H63-P126 WeakPolarHBondContact O-CD 3.14Å
64L97.7Very high95.5Very high0 Ų055.5 Ų55.50%026%0.263CS..SBendtrans-81.3-27.6-174.6-63.9179.9000112.3I40 N53 Y55 R62 P66 V84 A86 Y133I40-L64 HydrophobicContact CD1-CD1 4.32Å; I40-L64 HydrophobicContact CG2-CD1 3.99Å; N53-L64 PolarHBondContact ND2-O 2.8Å; Y55-L64 HydrophobicContact CD2-CD1 4.22Å; Y55-L64 HydrophobicContact CG-CD1 4.28Å; R62-L64 HydrophobicContact CB-CD2 4.35Å; L64-P66 WeakPolarHBondContact O-CD 3.3Å; L64-V84 HydrophobicContact CB-CB 4.23Å; L64-V84 HydrophobicContact CB-CG1 3.97Å; L64-V84 HydrophobicContact CD1-CG1 4.02Å; L64-V84 PolarHBondContact N-O 3.11Å; L64-A86 HydrophobicContact CD1-CB 4.01Å; L64-A86 HydrophobicContact CG-CB 4.33Å; L64-Y133 WeakPolarHBondContact O-CE2 3.46Å
65S97Very high95.4Very high3 Ų351.4 Ų51.42%0.02125%0.25CC..  trans-108.250.5-17962.20000115.4H63 A67 G82 V84 Y133H63-S65 PolarHBondContact CD2-N 3.45Å; H63-S65 PolarHBondContact NE2-O 2.96Å; H63-S65 PolarHBondContact NE2-OG 2.92Å; S65-A67 PolarHBondContact O-N 2.76Å; S65-G82 PolarHBondContact OG-O 3.16Å; S65-V84 PolarHBondContact N-O 3.06Å; S65-V84 PolarHBondContact OG-N 3.35Å; S65-Y133 VanDerWaalsContact CA-CD2 3.46Å; S65-Y133 VanDerWaalsContact CA-CE2 3.47Å; S65-Y133 VanDerWaalsContact CB-CD2 3.43Å
66P96.1Very high95.1Very high9 Ų951.3 Ų51.36%0.05826%0.259CS..SBendtrans-67.2-19.5-176.332.7-38.8000114L64 P75 R125 P126 G131L64-P66 WeakPolarHBondContact O-CD 3.3Å; P66-P75 VanDerWaalsContact O-CD 3.29Å; P66-P75 WeakPolarHBondContact O-CD 3.49Å; P66-P75 VanDerWaalsContact O-N 3.16Å; P66-R125 HydrophobicContact CB-CB 4.34Å; P66-R125 VanDerWaalsContact CB-CD 3.47Å; P66-R125 HydrophobicContact CB-CG 3.87Å; P66-R125 HydrophobicContact CG-CB 4.22Å; P66-R125 HydrophobicContact CG-CG 4.24Å; P66-P126 HydrophobicContact CG-CG 4.25Å; P66-G131 WeakPolarHBondContact CD-O 3.14Å
67A96.5Very high95Very high0 Ų050.4 Ų50.40%025%0.253CS..EExtended strand (participates in β ladder)trans-12587.4-17500000110.5S65 Y73 E128 G131 R132 Y133S65-A67 PolarHBondContact O-N 2.76Å; A67-Y73 HydrophobicContact CB-CD1 4.22Å; A67-Y73 VanDerWaalsContact CB-O 3.24Å; A67-Y73 WeakPolarHBondContact CB-O 3.48Å; A67-Y73 WeakPolarHBondContact O-CD1 3.1Å; A67-E128 HydrophobicContact CB-CG 4.31Å; A67-G131 PolarHBondContact N-O 2.86Å; A67-R132 HydrophobicContact CB-CG 4.12Å; A67-R132 CarbonylContact O-C 3.53Å; A67-R132 VanDerWaalsContact O-CA 3.26Å; A67-R132 WeakPolarHBondContact O-CA 3.29Å; A67-Y133 PolarHBondContact O-N 2.83Å
68V96.1Very high94.8Very high16 Ų1655.3 Ų55.310%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-94.8137.2174.9-173.50000109.9L46 D70 L71 R72 Y73 Y133 A135L46-V68 HydrophobicContact CD2-CG1 3.69Å; L46-V68 HydrophobicContact CD2-CG2 4.06Å; V68-D70 VanDerWaalsContact C-N 3.3Å; V68-D70 HydrophobicContact CG1-CB 4.3Å; V68-D70 PolarHBondContact O-N 2.65Å; V68-L71 CarbonylContact O-C 3.48Å; V68-L71 WeakPolarHBondContact O-CA 3.48Å; V68-L71 PolarHBondContact O-N 3.2Å; V68-R72 PolarHBondContact O-N 2.78Å; V68-Y73 WeakPolarHBondContact O-CA 3.42Å; V68-Y73 PolarHBondContact O-N 3.29Å; V68-Y133 WeakPolarHBondContact CA-O 3.29Å; V68-A135 HydrophobicContact CG1-CB 3.85Å
69D95.3Very high94.8Very high28 Ų2853.6 Ų53.615%0.1527%0.267CS..G310 helixtrans-57.6-38.3-178.372-38.5000113.7L71 R72 Y73 Y133 K134 A135D69-L71 PolarHBondContact O-N 2.98Å; D69-R72 WeakPolarHBondContact O-CA 3.47Å; D69-R72 PolarHBondContact O-N 3.12Å; D69-Y73 HydrophobicContact CB-CE1 3.78Å; D69-Y73 HydrophobicContact CB-CE2 4.24Å; D69-Y73 WeakPolarHBondContact CB-OH 3.48Å; D69-Y133 PolarHBondContact N-O 3.18Å; D69-K134 HydrophobicContact CB-CD 4.48Å; D69-K134 VanDerWaalsContact OD2-CD 3.23Å; D69-K134 WeakPolarHBondContact OD2-CD 3.02Å; D69-K134 WeakPolarHBondContact OD2-CE 3.41Å; D69-K134 IonicContact OD2-NZ 2.65Å; D69-K134 PolarHBondContact OD2-NZ 2.91Å; D69-A135 PolarHBondContact OD1-N 2.9Å
70D92.2Very high94.7Very high68 Ų6848.9 Ų48.936%0.36424%0.239SC..G310 helixtrans-60.3-22.9174-92.41.4000113.7V68 A135 K140V68-D70 VanDerWaalsContact C-N 3.3Å; V68-D70 HydrophobicContact CG1-CB 4.3Å; V68-D70 PolarHBondContact O-N 2.65Å; D70-A135 HydrophobicContact CB-CB 4.3Å; D70-K140 WeakPolarHBondContact OD2-CE 3.5Å; D70-K140 IonicContact OD2-NZ 3.17Å; D70-K140 PolarHBondContact OD2-NZ 3.37Å
71L92.2Very high94.7Very high86 Ų8647 Ų4745%0.4523%0.23SC..G310 helixtrans-103.819.6174.9-59.9178.6000112V68 D69 Y73 H74V68-L71 CarbonylContact O-C 3.48Å; V68-L71 WeakPolarHBondContact O-CA 3.48Å; V68-L71 PolarHBondContact O-N 3.2Å; D69-L71 PolarHBondContact O-N 2.98Å; L71-Y73 PolarHBondContact O-N 3.12Å; L71-H74 WeakPolarHBondContact CB-O 3.4Å; L71-H74 PolarHBondContact O-N 3.32Å
72R94.6Very high94.6Very high210 Ų21047.5 Ų47.579%0.79224%0.236SC*.THydrogen-bonded Turntrans54.437.2-175.8-56.9179.8-69-163.3-1.7112.3V68 D69 H74V68-R72 PolarHBondContact O-N 2.78Å; D69-R72 WeakPolarHBondContact O-CA 3.47Å; D69-R72 PolarHBondContact O-N 3.12Å; R72-H74 VanDerWaalsContact C-N 3.26Å; R72-H74 PolarHBondContact O-N 3.18Å; R72-H74 PolarHBondContact O-ND1 3.35Å
73Y95.2Very high94.5Very high63 Ų6346.3 Ų46.325%0.24723%0.234CC..THydrogen-bonded Turntrans62.323.1179.7-58-71.9000115.7E49 A67 V68 D69 L71 R132E49-Y73 PolarHBondContact OE1-OH 3.11Å; E49-Y73 VanDerWaalsContact OE1-OH 3.04Å; A67-Y73 HydrophobicContact CB-CD1 4.22Å; A67-Y73 VanDerWaalsContact CB-O 3.24Å; A67-Y73 WeakPolarHBondContact CB-O 3.48Å; A67-Y73 WeakPolarHBondContact O-CD1 3.1Å; V68-Y73 WeakPolarHBondContact O-CA 3.42Å; V68-Y73 PolarHBondContact O-N 3.29Å; D69-Y73 HydrophobicContact CB-CE1 3.78Å; D69-Y73 HydrophobicContact CB-CE2 4.24Å; D69-Y73 WeakPolarHBondContact CB-OH 3.48Å; L71-Y73 PolarHBondContact O-N 3.12Å; Y73-R132 HydrophobicContact CD1-CB 4.18Å; Y73-R132 HydrophobicContact CD1-CG 3.91Å; Y73-R132 HydrophobicContact CE1-CB 4.12Å; Y73-R132 HydrophobicContact CE1-CG 4.22Å
74H92.4Very high94.5Very high113 Ų11346 Ų4652%0.52323%0.233SC..SBendtrans-122.7141.3174.6-64.577.1000110.9L71 R72L71-H74 WeakPolarHBondContact CB-O 3.4Å; L71-H74 PolarHBondContact O-N 3.32Å; R72-H74 VanDerWaalsContact C-N 3.26Å; R72-H74 PolarHBondContact O-N 3.18Å; R72-H74 PolarHBondContact O-ND1 3.35Å
75P91.5Very high94.6Very high48 Ų4846.1 Ų46.131%0.31223%0.233SC..  trans-67.9148.7171.429.6-33.4000109.7P66 F77P66-P75 VanDerWaalsContact O-CD 3.29Å; P66-P75 WeakPolarHBondContact O-CD 3.49Å; P66-P75 VanDerWaalsContact O-N 3.16Å; P75-F77 VanDerWaalsContact C-N 3.27Å; P75-F77 PolarHBondContact O-N 2.67Å
76P90.2Very high94.6Very high82 Ų8246 Ų4653%0.53223%0.232SC..SBendtrans-66.7-29.3-176.426.7-33.2000112.8S80P76-S80 WeakPolarHBondContact CD-OG 3.23Å; P76-S80 VanDerWaalsContact CG-OG 3.29Å; P76-S80 WeakPolarHBondContact CG-OG 3.14Å
77F92Very high94.7Very high52 Ų5245.5 Ų45.523%0.22823%0.23CC..SBendtrans-162.7170.5173.154.3-88.9000110.6P75 N79 S80 D110 F285 Y286P75-F77 VanDerWaalsContact C-N 3.27Å; P75-F77 PolarHBondContact O-N 2.67Å; F77-N79 HydrophobicContact CD2-CB 4.42Å; F77-N79 HydrophobicContact CE2-CB 4.38Å; F77-N79 PolarHBondContact O-N 3.44Å; F77-S80 VanDerWaalsContact CE2-N 3.29Å; F77-S80 VanDerWaalsContact O-CB 3.32Å; F77-S80 WeakPolarHBondContact O-CB 3.38Å; F77-S80 PolarHBondContact O-N 2.84Å; F77-D110 VanDerWaalsContact CZ-OD1 3.3Å; F77-D110 WeakPolarHBondContact CZ-OD1 3.46Å; F77-F285 HydrophobicContact CE2-CD1 4.39Å; F77-F285 AromaticContact CE2-CE1 3.6Å; F77-F285 HydrophobicContact CE2-CE1 3.6Å; F77-F285 HydrophobicContact CE2-CZ 4.08Å; F77-F285 HydrophobicContact CZ-CE1 4.09Å; F77-Y286 HydrophobicContact CD1-CD1 4.23Å; F77-Y286 HydrophobicContact CD1-CE1 4.39Å; F77-Y286 HydrophobicContact CD2-CD1 4.15Å; F77-Y286 AromaticContact CE1-CD1 3.99Å; F77-Y286 HydrophobicContact CE1-CD1 3.99Å; F77-Y286 AromaticContact CE1-CE1 3.71Å; F77-Y286 HydrophobicContact CE1-CE1 3.71Å; F77-Y286 AromaticContact CE2-CD1 3.9Å; F77-Y286 HydrophobicContact CE2-CD1 3.9Å; F77-Y286 AromaticContact CE2-CE1 3.93Å; F77-Y286 HydrophobicContact CE2-CE1 3.93Å; F77-Y286 HydrophobicContact CG-CD1 4.32Å; F77-Y286 AromaticContact CZ-CD1 3.82Å; F77-Y286 HydrophobicContact CZ-CD1 3.82Å; F77-Y286 AromaticContact CZ-CE1 3.44Å; F77-Y286 HydrophobicContact CZ-CE1 3.44Å; F77-Y286 VanDerWaalsContact CZ-CE1 3.44Å
78L92.4Very high94.8Very high133 Ų13346.5 Ų46.570%0.69624%0.236SC*.THydrogen-bonded Turntrans-57.8-43.4-168.3-177.662.7000114R125L78-R125 VanDerWaalsContact O-CZ 3.28Å; L78-R125 PolarHBondContact O-NH1 3.35Å; L78-R125 PolarHBondContact O-NH2 3.05Å
79N94Very high94.9Very high26 Ų2649 Ų4914%0.13925%0.246CC..THydrogen-bonded Turntrans-92.57.1-175-64.6-37.6000114.4F77 A81 S113 L117 F285F77-N79 HydrophobicContact CD2-CB 4.42Å; F77-N79 HydrophobicContact CE2-CB 4.38Å; F77-N79 PolarHBondContact O-N 3.44Å; N79-A81 PolarHBondContact O-N 2.98Å; N79-S113 WeakPolarHBondContact O-CB 3.44Å; N79-S113 PolarHBondContact O-OG 3.1Å; N79-L117 HydrophobicContact CB-CD1 4.49Å; N79-F285 HydrophobicContact CB-CD2 3.94Å; N79-F285 HydrophobicContact CB-CE1 4.36Å; N79-F285 HydrophobicContact CB-CE2 3.49Å; N79-F285 VanDerWaalsContact CB-CE2 3.49Å; N79-F285 HydrophobicContact CB-CZ 3.72Å; N79-F285 PolarHBondContact ND2-O 3.08Å; N79-F285 WeakPolarHBondContact O-CZ 3.18Å
80S94.1Very high95Very high7 Ų755.6 Ų55.65%0.04927%0.273CS..  trans-65.2127.7179.5177.10000111.6H63 P76 F77 R125H63-S80 PolarHBondContact CE1-O 3.01Å; H63-S80 VanDerWaalsContact CE1-O 3.26Å; H63-S80 PolarHBondContact ND1-O 3.15Å; P76-S80 WeakPolarHBondContact CD-OG 3.23Å; P76-S80 VanDerWaalsContact CG-OG 3.29Å; P76-S80 WeakPolarHBondContact CG-OG 3.14Å; F77-S80 VanDerWaalsContact CE2-N 3.29Å; F77-S80 VanDerWaalsContact O-CB 3.32Å; F77-S80 WeakPolarHBondContact O-CB 3.38Å; F77-S80 PolarHBondContact O-N 2.84Å; S80-R125 PolarHBondContact O-NH2 3.46Å
81A95.4Very high95.3Very high0 Ų052.8 Ų52.80%026%0.258CS..  trans-129.930-179.200000112.5L61 N79 V85 L123L61-A81 HydrophobicContact CD2-CB 4.46Å; N79-A81 PolarHBondContact O-N 2.98Å; A81-V85 HydrophobicContact CB-CG1 3.94Å; A81-V85 WeakPolarHBondContact O-CG1 3.13Å; A81-L123 HydrophobicContact CB-CD1 3.97Å
82G95.6Very high95.5Very high13 Ų1348.7 Ų48.713%0.13424%0.237CC..  trans-71.8172.4173.800000113.8H63 S65 V84 D109H63-G82 PolarHBondContact NE2-O 3.44Å; H63-G82 VanDerWaalsContact NE2-O 3.13Å; S65-G82 PolarHBondContact OG-O 3.16Å; G82-V84 PolarHBondContact O-N 3.42Å; G82-D109 WeakPolarHBondContact CA-OD2 3.34Å; G82-D109 PolarHBondContact N-OD2 3.18Å
83G96.7Very high95.6Very high10 Ų1042.6 Ų42.610%0.10322%0.216CC..SBendtrans75.8-107.9179.700000112.7R18 D43R18-G83 PolarHBondContact NH1-O 3.07Å; D43-G83 PolarHBondContact N-O 2.96Å; D43-G83 VanDerWaalsContact OD2-CA 3.32Å; D43-G83 WeakPolarHBondContact OD2-CA 3.37Å
84V98Very high95.7Very high0 Ų043.9 Ų43.90%022%0.223CC..  trans-115.7120-175.1-169.60000111.2I40 F41 H42 L46 L64 S65 G82 Y133I40-V84 HydrophobicContact CG2-CG1 3.89Å; F41-V84 CarbonylContact O-C 3.55Å; F41-V84 VanDerWaalsContact O-CA 3.26Å; F41-V84 WeakPolarHBondContact O-CA 3.35Å; H42-V84 HydrophobicContact CB-CG1 4.27Å; H42-V84 WeakPolarHBondContact CD2-CG1 3.19Å; L46-V84 HydrophobicContact CB-CG2 4.07Å; L46-V84 HydrophobicContact CD1-CG2 4.01Å; L64-V84 HydrophobicContact CB-CB 4.23Å; L64-V84 HydrophobicContact CB-CG1 3.97Å; L64-V84 HydrophobicContact CD1-CG1 4.02Å; L64-V84 PolarHBondContact N-O 3.11Å; S65-V84 PolarHBondContact N-O 3.06Å; S65-V84 PolarHBondContact OG-N 3.35Å; G82-V84 PolarHBondContact O-N 3.42Å; V84-Y133 HydrophobicContact CB-CE1 4.43Å; V84-Y133 HydrophobicContact CG2-CD1 4.38Å; V84-Y133 HydrophobicContact CG2-CE1 3.75Å
85V98.2Very high95.8Very high1 Ų138.5 Ų38.51%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-131.7151.3177.4-670000112I40 F41 L61 R62 H63 A81 F98 F112I40-V85 CarbonylContact C-O 3.57Å; I40-V85 WeakPolarHBondContact CA-O 3.16Å; F41-V85 HydrophobicContact CB-CG2 3.87Å; F41-V85 HydrophobicContact CD2-CG2 3.99Å; F41-V85 HydrophobicContact CG-CG2 4.37Å; F41-V85 PolarHBondContact N-O 3.04Å; F41-V85 PolarHBondContact O-N 3.03Å; L61-V85 HydrophobicContact CD1-CB 4.06Å; L61-V85 HydrophobicContact CD1-CG1 4.34Å; R62-V85 CarbonylContact O-C 3.5Å; R62-V85 WeakPolarHBondContact O-CA 3.4Å; R62-V85 WeakPolarHBondContact O-CB 3.18Å; H63-V85 HydrophobicContact CB-CG1 4.39Å; A81-V85 HydrophobicContact CB-CG1 3.94Å; A81-V85 WeakPolarHBondContact O-CG1 3.13Å; V85-F98 HydrophobicContact CG2-CZ 4.3Å; V85-F112 HydrophobicContact CG2-CE1 4.09Å
86A98.3Very high96Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-122138.1175.300000111.1F39 I40 R62 L64F39-A86 WeakPolarHBondContact O-CA 3.44Å; I40-A86 HydrophobicContact CD1-CB 3.3Å; R62-A86 HydrophobicContact CB-CB 4.11Å; R62-A86 PolarHBondContact N-O 2.78Å; R62-A86 PolarHBondContact O-N 2.97Å; L64-A86 HydrophobicContact CD1-CB 4.01Å; L64-A86 HydrophobicContact CG-CB 4.33Å
87M98.1Very high96.3Very high0 Ų033 Ų330%016%0.162CC..EExtended strand (participates in β ladder)trans-149.4141.9175.8-170.2179.8-71.100111.1F39 C57 L61 N91 I92 I95 F112 L121F39-M87 PolarHBondContact N-O 3.14Å; F39-M87 PolarHBondContact O-N 3.38Å; C57-M87 PolarHBondContact SG-O 3.25Å; L61-M87 HydrophobicContact CB-CE 3.79Å; L61-M87 HydrophobicContact CD1-CE 3.67Å; L61-M87 HydrophobicContact CD2-CE 4.07Å; L61-M87 HydrophobicContact CG-CE 4.01Å; M87-N91 HydrophobicContact CG-CB 3.46Å; M87-N91 VanDerWaalsContact CG-CB 3.46Å; M87-N91 VanDerWaalsContact SD-C 3.53Å; M87-N91 HydrophobicContact SD-CB 3.58Å; M87-N91 VanDerWaalsContact SD-CB 3.58Å; M87-I92 HydrophobicContact CB-CD1 4.06Å; M87-I92 HydrophobicContact CB-CG1 3.77Å; M87-I92 HydrophobicContact CG-CD1 4.42Å; M87-I92 HydrophobicContact CG-CG1 3.71Å; M87-I92 WeakPolarHBondContact O-CD1 3.44Å; M87-I92 HydrophobicContact SD-CB 4.35Å; M87-I92 HydrophobicContact SD-CG1 3.63Å; M87-I92 PolarHBondContact SD-N 3.16Å; M87-I92 VanDerWaalsContact SD-N 3.44Å; M87-I95 HydrophobicContact CE-CD1 3.67Å; M87-I95 HydrophobicContact SD-CD1 3.76Å; M87-I95 HydrophobicContact SD-CG1 4.24Å; M87-F112 HydrophobicContact CE-CE1 3.8Å; M87-F112 HydrophobicContact CE-CE2 4.25Å; M87-F112 HydrophobicContact CE-CZ 3.5Å; M87-F112 VanDerWaalsContact CE-CZ 3.5Å; M87-F112 HydrophobicContact SD-CE2 4.42Å; M87-F112 HydrophobicContact SD-CZ 3.91Å; M87-L121 HydrophobicContact CE-CD1 4.21Å
88S98Very high96.5Very high20 Ų2030.6 Ų30.614%0.1415%0.151CC..EExtended strand (participates in β ladder)trans-66151.6174.967.60000111.9N37 K90 N91 I92N37-S88 CarbonylContact O-C 3.6Å; N37-S88 WeakPolarHBondContact O-CA 3.48Å; S88-K90 PolarHBondContact O-N 2.88Å; S88-N91 PolarHBondContact O-N 2.93Å; S88-N91 PolarHBondContact OG-N 3.18Å; S88-I92 WeakPolarHBondContact O-CG1 3.09Å; S88-I92 PolarHBondContact O-N 2.63Å
89K97.8Very high96.6Very high68 Ų6824.2 Ų24.230%0.29612%0.118SC..Hα-helixtrans-48-47.7171.8-176.6-175.3-171.9169.60110.7L30 P34 I36 N37 F39 N91 I92 F93L30-K89 HydrophobicContact CD2-CD 4.08Å; P34-K89 PolarHBondContact O-NZ 3.31Å; I36-K89 WeakPolarHBondContact O-CD 3.42Å; N37-K89 PolarHBondContact O-N 2.99Å; F39-K89 HydrophobicContact CD2-CB 4.48Å; F39-K89 HydrophobicContact CE2-CB 3.79Å; F39-K89 HydrophobicContact CE2-CG 4.11Å; K89-N91 VanDerWaalsContact C-N 3.33Å; K89-N91 PolarHBondContact O-N 3.27Å; K89-I92 PolarHBondContact O-N 3.38Å; K89-F93 HydrophobicContact CG-CD2 3.96Å; K89-F93 HydrophobicContact CG-CE2 4Å; K89-F93 VanDerWaalsContact O-CD2 3.29Å; K89-F93 WeakPolarHBondContact O-CD2 3.08Å; K89-F93 PolarHBondContact O-N 2.77Å; K89-F93 VanDerWaalsContact O-N 3.1Å
90K97.8Very high96.5Very high167 Ų16723 Ų2373%0.72611%0.111SC*.Hα-helixtrans-54.3-49179.4-178.1-177.8177.7-177.80111.7S88 K94S88-K90 PolarHBondContact O-N 2.88Å; K90-K94 VanDerWaalsContact O-CB 3.24Å; K90-K94 WeakPolarHBondContact O-CB 3.5Å; K90-K94 PolarHBondContact O-N 2.97Å
91N97.8Very high96.3Very high9 Ų922.9 Ų22.95%0.04811%0.11CC..Hα-helixtrans-72-39.3-177.3-75.1-12.4000112.2T59 M87 S88 K89 F93 K94 I95 L121T59-N91 PolarHBondContact O-ND2 2.87Å; M87-N91 HydrophobicContact CG-CB 3.46Å; M87-N91 VanDerWaalsContact CG-CB 3.46Å; M87-N91 VanDerWaalsContact SD-C 3.53Å; M87-N91 HydrophobicContact SD-CB 3.58Å; M87-N91 VanDerWaalsContact SD-CB 3.58Å; S88-N91 PolarHBondContact O-N 2.93Å; S88-N91 PolarHBondContact OG-N 3.18Å; K89-N91 VanDerWaalsContact C-N 3.33Å; K89-N91 PolarHBondContact O-N 3.27Å; N91-F93 VanDerWaalsContact C-N 3.34Å; N91-F93 PolarHBondContact O-N 2.79Å; N91-K94 WeakPolarHBondContact O-CB 3.41Å; N91-K94 PolarHBondContact O-N 2.73Å; N91-K94 VanDerWaalsContact O-N 3.15Å; N91-I95 WeakPolarHBondContact O-CG1 3Å; N91-I95 WeakPolarHBondContact O-CG2 3.27Å; N91-I95 PolarHBondContact O-N 2.8Å; N91-L121 HydrophobicContact CB-CD1 3.93Å
92I97.6Very high96.1Very high0 Ų023.1 Ų23.10%011%0.111CC..Hα-helixtrans-58.5-47.5177.5-70.6160.5000110.9V26 F39 F41 M87 S88 K89 I95 N96 G97 L162V26-I92 HydrophobicContact CG1-CG2 4.39Å; V26-I92 HydrophobicContact CG2-CG2 4.35Å; F39-I92 HydrophobicContact CB-CD1 3.58Å; F39-I92 HydrophobicContact CD2-CD1 3.3Å; F39-I92 HydrophobicContact CE2-CD1 4.19Å; F39-I92 HydrophobicContact CG-CD1 3.65Å; F41-I92 HydrophobicContact CE2-CD1 3.71Å; F41-I92 HydrophobicContact CE2-CG1 4.16Å; F41-I92 HydrophobicContact CZ-CD1 3.66Å; F41-I92 HydrophobicContact CZ-CG1 4.22Å; M87-I92 HydrophobicContact CB-CD1 4.06Å; M87-I92 HydrophobicContact CB-CG1 3.77Å; M87-I92 HydrophobicContact CG-CD1 4.42Å; M87-I92 HydrophobicContact CG-CG1 3.71Å; M87-I92 WeakPolarHBondContact O-CD1 3.44Å; M87-I92 HydrophobicContact SD-CB 4.35Å; M87-I92 HydrophobicContact SD-CG1 3.63Å; M87-I92 PolarHBondContact SD-N 3.16Å; M87-I92 VanDerWaalsContact SD-N 3.44Å; S88-I92 WeakPolarHBondContact O-CG1 3.09Å; S88-I92 PolarHBondContact O-N 2.63Å; K89-I92 PolarHBondContact O-N 3.38Å; I92-I95 PolarHBondContact O-N 2.57Å; I92-N96 PolarHBondContact O-N 3.09Å; I92-G97 PolarHBondContact O-N 3.09Å; I92-L162 HydrophobicContact CG2-CD1 3.5Å
93F96.7Very high95.9Very high83 Ų8323.3 Ų23.336%0.36411%0.107SC..Hα-helixtrans-70.3-34.8176.8-79.4-95.4000112.3V26 L30 K89 N91 I95 N96 L162 I166V26-F93 HydrophobicContact CG1-CE2 3.99Å; V26-F93 HydrophobicContact CG1-CZ 4.33Å; L30-F93 HydrophobicContact CD1-CE2 3.56Å; L30-F93 HydrophobicContact CD1-CZ 3.56Å; K89-F93 HydrophobicContact CG-CD2 3.96Å; K89-F93 HydrophobicContact CG-CE2 4Å; K89-F93 VanDerWaalsContact O-CD2 3.29Å; K89-F93 WeakPolarHBondContact O-CD2 3.08Å; K89-F93 PolarHBondContact O-N 2.77Å; K89-F93 VanDerWaalsContact O-N 3.1Å; N91-F93 VanDerWaalsContact C-N 3.34Å; N91-F93 PolarHBondContact O-N 2.79Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 2.77Å; F93-N96 PolarHBondContact O-N 3.46Å; F93-L162 HydrophobicContact CD1-CD1 4.43Å; F93-L162 HydrophobicContact CD2-CD1 4.47Å; F93-L162 HydrophobicContact CE1-CD1 4.39Å; F93-L162 HydrophobicContact CE2-CD1 4.43Å; F93-L162 HydrophobicContact CG-CD1 4.48Å; F93-L162 HydrophobicContact CZ-CD1 4.4Å; F93-I166 HydrophobicContact CE1-CD1 4.24Å
94K96Very high95.7Very high90 Ų9024 Ų2439%0.39111%0.114SC..Hα-helixtrans-58.1-41.8174.2-175.1-173.1-176.6-164.90111.5K90 N91 Y119K90-K94 VanDerWaalsContact O-CB 3.24Å; K90-K94 WeakPolarHBondContact O-CB 3.5Å; K90-K94 PolarHBondContact O-N 2.97Å; N91-K94 WeakPolarHBondContact O-CB 3.41Å; N91-K94 PolarHBondContact O-N 2.73Å; N91-K94 VanDerWaalsContact O-N 3.15Å; K94-Y119 HydrophobicContact CD-CD1 4.24Å; K94-Y119 HydrophobicContact CD-CG 4.29Å; K94-Y119 HydrophobicContact CG-CD1 4Å; K94-Y119 HydrophobicContact CG-CE1 4.27Å; K94-Y119 HydrophobicContact CG-CG 4.18Å; K94-Y119 PolarHBondContact NZ-O 3.35Å; K94-Y119 VanDerWaalsContact NZ-O 3.1Å; K94-Y119 WeakPolarHBondContact O-CE2 3.37Å; K94-Y119 VanDerWaalsContact O-CZ 3.28Å; K94-Y119 PolarHBondContact O-OH 3.3Å
95I95.5Very high95.4Very high0 Ų031.3 Ų31.30%014%0.142CC..THydrogen-bonded Turntrans-92.74.9-177.376.8168.5000114.4M87 N91 I92 F93 G97 F112 R115 Y119 L121 Y157M87-I95 HydrophobicContact CE-CD1 3.67Å; M87-I95 HydrophobicContact SD-CD1 3.76Å; M87-I95 HydrophobicContact SD-CG1 4.24Å; N91-I95 WeakPolarHBondContact O-CG1 3Å; N91-I95 WeakPolarHBondContact O-CG2 3.27Å; N91-I95 PolarHBondContact O-N 2.8Å; I92-I95 PolarHBondContact O-N 2.57Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 2.77Å; I95-G97 VanDerWaalsContact C-N 3.34Å; I95-G97 PolarHBondContact O-N 3.48Å; I95-F112 HydrophobicContact CD1-CD2 3.8Å; I95-F112 HydrophobicContact CD1-CE2 3.54Å; I95-F112 HydrophobicContact CD1-CZ 4.12Å; I95-F112 HydrophobicContact CG1-CE2 4.45Å; I95-R115 HydrophobicContact CB-CB 4.15Å; I95-R115 HydrophobicContact CD1-CB 4.28Å; I95-Y119 HydrophobicContact CB-CD2 4.09Å; I95-Y119 HydrophobicContact CB-CE2 4.23Å; I95-Y119 HydrophobicContact CG2-CD2 3.51Å; I95-Y119 HydrophobicContact CG2-CE2 4.11Å; I95-Y119 HydrophobicContact CG2-CG 4.23Å; I95-L121 HydrophobicContact CG2-CD1 3.94Å; I95-Y157 VanDerWaalsContact O-CE2 3.27Å; I95-Y157 WeakPolarHBondContact O-CE2 3.41Å
96N96Very high95Very high15 Ų1531.5 Ų31.58%0.0815%0.145CC..THydrogen-bonded Turntrans61.233.6-175.8-166.841.2000114.4I92 F93 R115 Y157 L158 D160 G161 L162 S163I92-N96 PolarHBondContact O-N 3.09Å; F93-N96 PolarHBondContact O-N 3.46Å; N96-R115 PolarHBondContact O-NH1 2.88Å; N96-Y157 HydrophobicContact CB-CD2 4.25Å; N96-Y157 HydrophobicContact CB-CE2 3.93Å; N96-Y157 PolarHBondContact ND2-O 2.69Å; N96-L158 PolarHBondContact ND2-O 3.17Å; N96-D160 PolarHBondContact ND2-O 3.48Å; N96-G161 VanDerWaalsContact O-CA 3.26Å; N96-G161 WeakPolarHBondContact O-CA 3.32Å; N96-L162 PolarHBondContact O-N 3.49Å; N96-L162 VanDerWaalsContact O-N 3.09Å; N96-L162 PolarHBondContact OD1-N 2.87Å; N96-S163 PolarHBondContact ND2-OG 3.01Å; N96-S163 VanDerWaalsContact ND2-OG 3.12Å; N96-S163 WeakPolarHBondContact OD1-CB 3.32Å; N96-S163 PolarHBondContact OD1-N 3.48Å; N96-S163 PolarHBondContact OD1-OG 2.92Å
97G96.8Very high94.7Very high0 Ų031.7 Ų31.70%015%0.146CC..SBendtrans62.9-160.2176.300000114.9D23 I92 I95 R115D23-G97 WeakPolarHBondContact OD1-CA 3.22Å; I92-G97 PolarHBondContact O-N 3.09Å; I95-G97 VanDerWaalsContact C-N 3.34Å; I95-G97 PolarHBondContact O-N 3.48Å; G97-R115 PolarHBondContact O-NH1 2.9Å
98F96.5Very high94.6Very high0 Ų032.3 Ų32.30%015%0.149CC..SBendtrans-75.6155.8176.2-76.9-96.8000111.6G19 F22 D23 F41 V85 T100 F112 G161G19-F98 WeakPolarHBondContact O-CB 3.26Å; F22-F98 HydrophobicContact CB-CD2 3.84Å; F22-F98 HydrophobicContact CB-CE2 4.02Å; F22-F98 HydrophobicContact CB-CG 4.42Å; F22-F98 HydrophobicContact CD2-CD1 4.22Å; F22-F98 HydrophobicContact CD2-CD2 4.08Å; F22-F98 AromaticContact CD2-CE1 3.86Å; F22-F98 HydrophobicContact CD2-CE1 3.86Å; F22-F98 AromaticContact CD2-CE2 3.72Å; F22-F98 HydrophobicContact CD2-CE2 3.72Å; F22-F98 HydrophobicContact CD2-CG 4.33Å; F22-F98 AromaticContact CD2-CZ 3.61Å; F22-F98 HydrophobicContact CD2-CZ 3.61Å; F22-F98 HydrophobicContact CE2-CE1 4.29Å; F22-F98 HydrophobicContact CE2-CZ 4.11Å; F22-F98 HydrophobicContact CG-CD2 4.49Å; F22-F98 HydrophobicContact CG-CE2 4.3Å; D23-F98 PolarHBondContact OD1-N 3.16Å; D23-F98 PolarHBondContact OD2-N 3.47Å; D23-F98 VanDerWaalsContact OD2-O 3.06Å; F41-F98 HydrophobicContact CB-CE2 4.46Å; F41-F98 HydrophobicContact CB-CZ 4.28Å; F41-F98 AromaticContact CD1-CE2 3.75Å; F41-F98 HydrophobicContact CD1-CE2 3.75Å; F41-F98 HydrophobicContact CD1-CZ 4.38Å; F41-F98 AromaticContact CD2-CE2 3.73Å; F41-F98 HydrophobicContact CD2-CE2 3.73Å; F41-F98 HydrophobicContact CD2-CZ 4.05Å; F41-F98 HydrophobicContact CE1-CD2 4.34Å; F41-F98 AromaticContact CE1-CE2 3.76Å; F41-F98 HydrophobicContact CE1-CE2 3.76Å; F41-F98 AromaticContact CE2-CE2 3.74Å; F41-F98 HydrophobicContact CE2-CE2 3.74Å; F41-F98 HydrophobicContact CE2-CZ 4.45Å; F41-F98 AromaticContact CG-CE2 3.7Å; F41-F98 HydrophobicContact CG-CE2 3.7Å; F41-F98 AromaticContact CG-CZ 3.97Å; F41-F98 HydrophobicContact CG-CZ 3.97Å; F41-F98 HydrophobicContact CZ-CD2 4.4Å; F41-F98 AromaticContact CZ-CE2 3.74Å; F41-F98 HydrophobicContact CZ-CE2 3.74Å; V85-F98 HydrophobicContact CG2-CZ 4.3Å; F98-T100 PolarHBondContact O-N 2.94Å; F98-F112 HydrophobicContact CB-CD2 4.45Å; F98-F112 HydrophobicContact CD1-CB 3.65Å; F98-F112 HydrophobicContact CD1-CD1 4.42Å; F98-F112 AromaticContact CD1-CD2 3.76Å; F98-F112 HydrophobicContact CD1-CD2 3.76Å; F98-F112 HydrophobicContact CD1-CE2 4.48Å; F98-F112 AromaticContact CD1-CG 3.7Å; F98-F112 HydrophobicContact CD1-CG 3.7Å; F98-F112 AromaticContact CD2-CD2 3.7Å; F98-F112 HydrophobicContact CD2-CD2 3.7Å; F98-F112 AromaticContact CD2-CE2 3.67Å; F98-F112 HydrophobicContact CD2-CE2 3.67Å; F98-F112 HydrophobicContact CD2-CG 4.36Å; F98-F112 HydrophobicContact CD2-CZ 4.33Å; F98-F112 HydrophobicContact CE1-CB 3.65Å; F98-F112 AromaticContact CE1-CD1 3.7Å; F98-F112 HydrophobicContact CE1-CD1 3.7Å; F98-F112 AromaticContact CE1-CD2 3.79Å; F98-F112 HydrophobicContact CE1-CD2 3.79Å; F98-F112 HydrophobicContact CE1-CE1 4.23Å; F98-F112 HydrophobicContact CE1-CE2 4.31Å; F98-F112 AromaticContact CE1-CG 3.44Å; F98-F112 HydrophobicContact CE1-CG 3.44Å; F98-F112 VanDerWaalsContact CE1-CG 3.44Å; F98-F112 HydrophobicContact CE2-CD1 4.3Å; F98-F112 AromaticContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CE1 4.07Å; F98-F112 AromaticContact CE2-CE2 3.46Å; F98-F112 HydrophobicContact CE2-CE2 3.46Å; F98-F112 VanDerWaalsContact CE2-CE2 3.46Å; F98-F112 HydrophobicContact CE2-CG 4.12Å; F98-F112 AromaticContact CE2-CZ 3.65Å; F98-F112 HydrophobicContact CE2-CZ 3.65Å; F98-F112 HydrophobicContact CG-CB 4.38Å; F98-F112 AromaticContact CG-CD2 3.7Å; F98-F112 HydrophobicContact CG-CD2 3.7Å; F98-F112 HydrophobicContact CG-CE2 4.18Å; F98-F112 HydrophobicContact CG-CG 4.16Å; F98-F112 HydrophobicContact CZ-CB 4.38Å; F98-F112 AromaticContact CZ-CD1 3.62Å; F98-F112 HydrophobicContact CZ-CD1 3.62Å; F98-F112 AromaticContact CZ-CD2 3.77Å; F98-F112 HydrophobicContact CZ-CD2 3.77Å; F98-F112 AromaticContact CZ-CE1 3.66Å; F98-F112 HydrophobicContact CZ-CE1 3.66Å; F98-F112 AromaticContact CZ-CE2 3.8Å; F98-F112 HydrophobicContact CZ-CE2 3.8Å; F98-F112 AromaticContact CZ-CG 3.66Å; F98-F112 HydrophobicContact CZ-CG 3.66Å; F98-F112 AromaticContact CZ-CZ 3.75Å; F98-F112 HydrophobicContact CZ-CZ 3.75Å; F98-G161 WeakPolarHBondContact O-CA 3.41Å
99P93.2Very high94.5Very high0 Ų032.6 Ų32.60%015%0.149CC..  trans-67.6131.3167.130-37.2000111.6H102 E108 E111 R115P99-H102 VanDerWaalsContact CB-CD2 3.47Å; P99-H102 WeakPolarHBondContact CB-CD2 3.29Å; P99-H102 WeakPolarHBondContact CG-CD2 3.34Å; P99-E108 WeakPolarHBondContact CD-O 3.39Å; P99-E108 HydrophobicContact CG-CB 4.02Å; P99-E108 WeakPolarHBondContact CG-O 3.14Å; P99-E111 HydrophobicContact CB-CG 4.37Å; P99-E111 HydrophobicContact CG-CB 4.07Å; P99-E111 HydrophobicContact CG-CG 4.1Å; P99-R115 VanDerWaalsContact CA-NH2 3.31Å; P99-R115 VanDerWaalsContact CB-NH2 3.34Å
100T91.3Very high94.3Very high0 Ų030 Ų300%014%0.138CC..SBendtrans-91.6-6.2179.763.40000113.1N17 L20 F98 D160 L165 L268N17-T100 PolarHBondContact ND2-O 3.23Å; L20-T100 HydrophobicContact CB-CG2 4.46Å; L20-T100 HydrophobicContact CD1-CG2 3.85Å; F98-T100 PolarHBondContact O-N 2.94Å; T100-D160 WeakPolarHBondContact CA-OD1 3.39Å; T100-D160 WeakPolarHBondContact CB-OD1 3.23Å; T100-D160 PolarHBondContact N-OD1 3.21Å; T100-D160 PolarHBondContact OG1-OD1 3.26Å; T100-L165 HydrophobicContact CG2-CD1 4.39Å; T100-L165 HydrophobicContact CG2-CD2 4.42Å; T100-L165 HydrophobicContact CG2-CG 4.39Å; T100-L268 VanDerWaalsContact O-CD1 3.31Å; T100-L268 WeakPolarHBondContact O-CD1 3.36Å; T100-L268 WeakPolarHBondContact OG1-CD1 3.2Å; T100-L268 WeakPolarHBondContact OG1-CD2 3.31Å
101R90.7Very high94.1Very high4 Ų422 Ų222%0.01510%0.104CC..  trans-85-11.9-178.576.3-173.7178.7-74.92.7116W103 E111 D150 D160 L268R101-W103 PolarHBondContact O-N 2.96Å; R101-W103 VanDerWaalsContact O-N 3.16Å; R101-E111 IonicContact CZ-OE1 3.06Å; R101-E111 IonicContact CZ-OE2 2.78Å; R101-E111 IonicContact NH1-OE1 2.79Å; R101-E111 PolarHBondContact NH1-OE1 3.44Å; R101-E111 IonicContact NH1-OE2 2.63Å; R101-E111 PolarHBondContact NH1-OE2 3.41Å; R101-E111 IonicContact NH2-OE1 3.04Å; R101-E111 PolarHBondContact NH2-OE1 3.17Å; R101-E111 VanDerWaalsContact NH2-OE1 3.17Å; R101-E111 IonicContact NH2-OE2 3.04Å; R101-E111 PolarHBondContact NH2-OE2 3.45Å; R101-D150 PolarHBondContact NE-O 2.9Å; R101-D150 PolarHBondContact NH2-O 2.96Å; R101-D160 WeakPolarHBondContact CB-OD2 3.49Å; R101-D160 WeakPolarHBondContact CD-OD2 3.47Å; R101-D160 WeakPolarHBondContact CG-OD2 3.32Å; R101-D160 IonicContact CZ-OD2 3.42Å; R101-D160 PolarHBondContact N-OD1 3.07Å; R101-D160 IonicContact NE-OD2 3.55Å; R101-D160 IonicContact NH1-OD2 2.68Å; R101-D160 PolarHBondContact NH1-OD2 3.2Å; R101-L268 HydrophobicContact CB-CB 4.08Å
102H91.4Very high94Very high5 Ų521.6 Ų21.62%0.02310%0.101CC..  trans-81.297.2-177.9-68.6-88.1000110.7N17 P99 G106 E108 E111N17-H102 VanDerWaalsContact CG-O 3.28Å; N17-H102 PolarHBondContact OD1-O 3.48Å; P99-H102 VanDerWaalsContact CB-CD2 3.47Å; P99-H102 WeakPolarHBondContact CB-CD2 3.29Å; P99-H102 WeakPolarHBondContact CG-CD2 3.34Å; H102-G106 PolarHBondContact ND1-O 2.98Å; H102-E108 HydrophobicContact CB-CB 3.72Å; H102-E111 IonicContact CD2-OE2 3.61Å; H102-E111 IonicContact CE1-OE2 2.73Å; H102-E111 IonicContact NE2-OE2 2.97Å; H102-E111 PolarHBondContact NE2-OE2 3.38Å
103W92Very high93.9Very high17 Ų1721.7 Ų21.76%0.06410%0.102CC..  trans-98.2116.2177-66.494.2000110.2P15 N17 L20 R101 P257 L260 Y261 Y264P15-W103 HydrophobicContact CB-CB 4.27Å; P15-W103 WeakPolarHBondContact O-CZ3 3.48Å; N17-W103 HydrophobicContact CB-CD2 4.12Å; N17-W103 HydrophobicContact CB-CE3 3.65Å; N17-W103 HydrophobicContact CB-CH2 4.27Å; N17-W103 HydrophobicContact CB-CZ3 3.73Å; N17-W103 WeakPolarHBondContact ND2-CZ2 3.44Å; L20-W103 HydrophobicContact CD2-CH2 3.94Å; L20-W103 HydrophobicContact CD2-CZ2 4.21Å; R101-W103 PolarHBondContact O-N 2.96Å; R101-W103 VanDerWaalsContact O-N 3.16Å; W103-P257 HydrophobicContact CH2-CB 3.82Å; W103-P257 HydrophobicContact CH2-CG 3.9Å; W103-P257 HydrophobicContact CZ3-CB 4.46Å; W103-P257 HydrophobicContact CZ3-CG 4.03Å; W103-L260 HydrophobicContact CZ2-CG 4.5Å; W103-Y261 HydrophobicContact CB-CE2 4.21Å; W103-Y261 AromaticContact CD2-CD2 3.41Å; W103-Y261 HydrophobicContact CD2-CD2 3.41Å; W103-Y261 VanDerWaalsContact CD2-CD2 3.41Å; W103-Y261 AromaticContact CD2-CE2 3.85Å; W103-Y261 HydrophobicContact CD2-CE2 3.85Å; W103-Y261 AromaticContact CE2-CD2 3.62Å; W103-Y261 AromaticContact CE3-CD2 3.53Å; W103-Y261 HydrophobicContact CE3-CD2 3.53Å; W103-Y261 HydrophobicContact CE3-CE2 4.03Å; W103-Y261 HydrophobicContact CE3-CG 4.39Å; W103-Y261 AromaticContact CG-CD2 3.92Å; W103-Y261 HydrophobicContact CG-CD2 3.92Å; W103-Y261 AromaticContact CG-CE2 3.91Å; W103-Y261 HydrophobicContact CG-CE2 3.91Å; W103-Y261 HydrophobicContact CH2-CD2 4.02Å; W103-Y261 HydrophobicContact CH2-CG 4.32Å; W103-Y261 AromaticContact CZ2-CD2 3.94Å; W103-Y261 HydrophobicContact CZ2-CD2 3.94Å; W103-Y261 HydrophobicContact CZ2-CG 4.47Å; W103-Y261 AromaticContact CZ3-CD2 3.85Å; W103-Y261 HydrophobicContact CZ3-CD2 3.85Å; W103-Y261 HydrophobicContact CZ3-CG 4.3Å; W103-Y264 AromaticContact CD1-CD2 3.63Å; W103-Y264 AromaticContact CD1-CE2 3.77Å; W103-Y264 AromaticContact CD1-CG 3.79Å; W103-Y264 AromaticContact NE1-CD1 3.91Å; W103-Y264 AromaticContact NE1-CD2 3.59Å; W103-Y264 AromaticContact NE1-CG 3.41Å
104G92.6Very high93.8Very high24 Ų2417.8 Ų17.825%0.2479%0.085CC..SBendtrans98.5-174.2-169.100000112.2F16F16-G104 WeakPolarHBondContact O-CA 3.44Å; F16-G104 PolarHBondContact O-N 2.78Å
105W90.5Very high93.7Very high154 Ų15413.5 Ų13.558%0.5837%0.066SC*.BIsolated β-bridgetrans-81.7130.6-177.7-171.786.1000111.8I143 S144W105-I143 HydrophobicContact CE3-CB 3.8Å; W105-I143 HydrophobicContact CE3-CD1 4.32Å; W105-I143 HydrophobicContact CE3-CG1 3.6Å; W105-I143 HydrophobicContact CE3-CG2 3.74Å; W105-I143 HydrophobicContact CH2-CD1 4.36Å; W105-I143 HydrophobicContact CH2-CG1 4.33Å; W105-I143 HydrophobicContact CZ3-CB 3.93Å; W105-I143 HydrophobicContact CZ3-CD1 3.54Å; W105-I143 HydrophobicContact CZ3-CG1 3.29Å; W105-I143 HydrophobicContact CZ3-CG2 3.81Å; W105-S144 WeakPolarHBondContact O-CB 3.46Å; W105-S144 PolarHBondContact O-N 3.24Å
106G90.4Very high93.7Very high6 Ų613.5 Ų13.56%0.0627%0.067CC..SBendtrans126.2140.1161.800000115.2H102 E108H102-G106 PolarHBondContact ND1-O 2.98Å; G106-E108 PolarHBondContact O-N 2.78Å
107S92.5Very high93.6Very high4 Ų415 Ų153%0.0287%0.074CC..SBendtrans66.73.7166.6-59.40000117.4E111 H147S107-E111 WeakPolarHBondContact O-CB 3.39Å; S107-E111 PolarHBondContact O-N 3.3Å; S107-E111 VanDerWaalsContact O-N 3.08Å; S107-H147 PolarHBondContact OG-ND1 3.02Å
108E94.8Very high93.3Very high13 Ų1317 Ų176%0.0619%0.085CC..Hα-helixtrans-73.4-36.5173.786.6-63156.400112.1R18 P99 H102 G106 F112R18-E108 HydrophobicContact CB-CG 4.4Å; R18-E108 IonicContact CZ-OE1 2.96Å; R18-E108 IonicContact NE-OE1 3.5Å; R18-E108 PolarHBondContact NE-OE1 3.04Å; R18-E108 IonicContact NH2-OE1 3.6Å; R18-E108 PolarHBondContact NH2-OE1 3.04Å; P99-E108 WeakPolarHBondContact CD-O 3.39Å; P99-E108 HydrophobicContact CG-CB 4.02Å; P99-E108 WeakPolarHBondContact CG-O 3.14Å; H102-E108 HydrophobicContact CB-CB 3.72Å; G106-E108 PolarHBondContact O-N 2.78Å; E108-F112 WeakPolarHBondContact O-CB 3.42Å; E108-F112 PolarHBondContact O-N 3.39Å
109D95.8Very high93.2Very high26 Ų2620.6 Ų20.614%0.13910%0.099CC..Hα-helixtrans-70.7-41.4173.254.8-19.3000112.2G82 E111 F112 S113G82-D109 WeakPolarHBondContact CA-OD2 3.34Å; G82-D109 PolarHBondContact N-OD2 3.18Å; D109-E111 VanDerWaalsContact C-N 3.35Å; D109-F112 WeakPolarHBondContact O-CB 3.49Å; D109-F112 PolarHBondContact O-N 2.86Å; D109-S113 WeakPolarHBondContact O-CB 3.29Å; D109-S113 PolarHBondContact O-N 3.43Å
110D94.6Very high93.3Very high13 Ų1327.7 Ų27.77%0.0714%0.137CC..Hα-helixtrans-58.2-50.2174.6-65.9-17.6000110.1F77 S113 A114 F151 F285 Y286F77-D110 VanDerWaalsContact CZ-OD1 3.3Å; F77-D110 WeakPolarHBondContact CZ-OD1 3.46Å; D110-S113 WeakPolarHBondContact O-CB 3.24Å; D110-S113 PolarHBondContact O-N 3.35Å; D110-A114 WeakPolarHBondContact O-CB 3.48Å; D110-A114 PolarHBondContact O-N 3.39Å; D110-F151 HydrophobicContact CB-CD2 3.84Å; D110-F151 HydrophobicContact CB-CE2 3.66Å; D110-F285 HydrophobicContact CB-CE1 3.59Å; D110-F285 HydrophobicContact CB-CZ 3.96Å; D110-F285 WeakPolarHBondContact O-CE2 3.46Å; D110-F285 WeakPolarHBondContact O-CZ 3.26Å; D110-Y286 PolarHBondContact OD2-OH 2.77Å
111E93.7Very high93.5Very high0 Ų028.1 Ų28.10%014%0.139CC..Hα-helixtrans-67.3-38.2179174.9177167.100111.8P99 R101 H102 S107 D109 S113 A114 R115 F151 F154P99-E111 HydrophobicContact CB-CG 4.37Å; P99-E111 HydrophobicContact CG-CB 4.07Å; P99-E111 HydrophobicContact CG-CG 4.1Å; R101-E111 IonicContact CZ-OE1 3.06Å; R101-E111 IonicContact CZ-OE2 2.78Å; R101-E111 IonicContact NH1-OE1 2.79Å; R101-E111 PolarHBondContact NH1-OE1 3.44Å; R101-E111 IonicContact NH1-OE2 2.63Å; R101-E111 PolarHBondContact NH1-OE2 3.41Å; R101-E111 IonicContact NH2-OE1 3.04Å; R101-E111 PolarHBondContact NH2-OE1 3.17Å; R101-E111 VanDerWaalsContact NH2-OE1 3.17Å; R101-E111 IonicContact NH2-OE2 3.04Å; R101-E111 PolarHBondContact NH2-OE2 3.45Å; H102-E111 IonicContact CD2-OE2 3.61Å; H102-E111 IonicContact CE1-OE2 2.73Å; H102-E111 IonicContact NE2-OE2 2.97Å; H102-E111 PolarHBondContact NE2-OE2 3.38Å; S107-E111 WeakPolarHBondContact O-CB 3.39Å; S107-E111 PolarHBondContact O-N 3.3Å; S107-E111 VanDerWaalsContact O-N 3.08Å; D109-E111 VanDerWaalsContact C-N 3.35Å; E111-S113 VanDerWaalsContact C-N 3.27Å; E111-S113 PolarHBondContact O-N 3.19Å; E111-A114 PolarHBondContact O-N 3.3Å; E111-A114 VanDerWaalsContact O-N 3.16Å; E111-R115 HydrophobicContact CG-CG 4.3Å; E111-R115 VanDerWaalsContact O-CG 3.31Å; E111-R115 WeakPolarHBondContact O-CG 3.38Å; E111-R115 PolarHBondContact O-N 3.07Å; E111-R115 IonicContact OE1-CZ 2.72Å; E111-R115 IonicContact OE1-NE 3.82Å; E111-R115 PolarHBondContact OE1-NE 3.41Å; E111-R115 IonicContact OE1-NH2 3.77Å; E111-R115 PolarHBondContact OE1-NH2 3.38Å; E111-F151 HydrophobicContact CB-CD2 3.9Å; E111-F151 HydrophobicContact CB-CE2 4.08Å; E111-F154 HydrophobicContact CG-CB 3.76Å
112F95.8Very high93.8Very high0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-56.9-43.9174178.4-105.4000111.4F41 L61 V85 M87 I95 F98 E108 D109 R115 G116F41-F112 HydrophobicContact CE2-CZ 4.21Å; L61-F112 HydrophobicContact CD1-CD1 4.48Å; L61-F112 HydrophobicContact CD1-CE1 3.75Å; L61-F112 HydrophobicContact CD2-CD1 4.32Å; L61-F112 HydrophobicContact CD2-CE1 4.26Å; V85-F112 HydrophobicContact CG2-CE1 4.09Å; M87-F112 HydrophobicContact CE-CE1 3.8Å; M87-F112 HydrophobicContact CE-CE2 4.25Å; M87-F112 HydrophobicContact CE-CZ 3.5Å; M87-F112 VanDerWaalsContact CE-CZ 3.5Å; M87-F112 HydrophobicContact SD-CE2 4.42Å; M87-F112 HydrophobicContact SD-CZ 3.91Å; I95-F112 HydrophobicContact CD1-CD2 3.8Å; I95-F112 HydrophobicContact CD1-CE2 3.54Å; I95-F112 HydrophobicContact CD1-CZ 4.12Å; I95-F112 HydrophobicContact CG1-CE2 4.45Å; F98-F112 HydrophobicContact CB-CD2 4.45Å; F98-F112 HydrophobicContact CD1-CB 3.65Å; F98-F112 HydrophobicContact CD1-CD1 4.42Å; F98-F112 AromaticContact CD1-CD2 3.76Å; F98-F112 HydrophobicContact CD1-CD2 3.76Å; F98-F112 HydrophobicContact CD1-CE2 4.48Å; F98-F112 AromaticContact CD1-CG 3.7Å; F98-F112 HydrophobicContact CD1-CG 3.7Å; F98-F112 AromaticContact CD2-CD2 3.7Å; F98-F112 HydrophobicContact CD2-CD2 3.7Å; F98-F112 AromaticContact CD2-CE2 3.67Å; F98-F112 HydrophobicContact CD2-CE2 3.67Å; F98-F112 HydrophobicContact CD2-CG 4.36Å; F98-F112 HydrophobicContact CD2-CZ 4.33Å; F98-F112 HydrophobicContact CE1-CB 3.65Å; F98-F112 AromaticContact CE1-CD1 3.7Å; F98-F112 HydrophobicContact CE1-CD1 3.7Å; F98-F112 AromaticContact CE1-CD2 3.79Å; F98-F112 HydrophobicContact CE1-CD2 3.79Å; F98-F112 HydrophobicContact CE1-CE1 4.23Å; F98-F112 HydrophobicContact CE1-CE2 4.31Å; F98-F112 AromaticContact CE1-CG 3.44Å; F98-F112 HydrophobicContact CE1-CG 3.44Å; F98-F112 VanDerWaalsContact CE1-CG 3.44Å; F98-F112 HydrophobicContact CE2-CD1 4.3Å; F98-F112 AromaticContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CD2 3.73Å; F98-F112 HydrophobicContact CE2-CE1 4.07Å; F98-F112 AromaticContact CE2-CE2 3.46Å; F98-F112 HydrophobicContact CE2-CE2 3.46Å; F98-F112 VanDerWaalsContact CE2-CE2 3.46Å; F98-F112 HydrophobicContact CE2-CG 4.12Å; F98-F112 AromaticContact CE2-CZ 3.65Å; F98-F112 HydrophobicContact CE2-CZ 3.65Å; F98-F112 HydrophobicContact CG-CB 4.38Å; F98-F112 AromaticContact CG-CD2 3.7Å; F98-F112 HydrophobicContact CG-CD2 3.7Å; F98-F112 HydrophobicContact CG-CE2 4.18Å; F98-F112 HydrophobicContact CG-CG 4.16Å; F98-F112 HydrophobicContact CZ-CB 4.38Å; F98-F112 AromaticContact CZ-CD1 3.62Å; F98-F112 HydrophobicContact CZ-CD1 3.62Å; F98-F112 AromaticContact CZ-CD2 3.77Å; F98-F112 HydrophobicContact CZ-CD2 3.77Å; F98-F112 AromaticContact CZ-CE1 3.66Å; F98-F112 HydrophobicContact CZ-CE1 3.66Å; F98-F112 AromaticContact CZ-CE2 3.8Å; F98-F112 HydrophobicContact CZ-CE2 3.8Å; F98-F112 AromaticContact CZ-CG 3.66Å; F98-F112 HydrophobicContact CZ-CG 3.66Å; F98-F112 AromaticContact CZ-CZ 3.75Å; F98-F112 HydrophobicContact CZ-CZ 3.75Å; E108-F112 WeakPolarHBondContact O-CB 3.42Å; E108-F112 PolarHBondContact O-N 3.39Å; D109-F112 WeakPolarHBondContact O-CB 3.49Å; D109-F112 PolarHBondContact O-N 2.86Å; F112-R115 PolarHBondContact O-N 2.88Å; F112-G116 PolarHBondContact O-N 2.96Å
113S96Very high94Very high1 Ų136 Ų361%0.00718%0.175CC..Hα-helixtrans-62.8-45.7173-172.40000112N79 D109 D110 E111 R115 G116 L117N79-S113 WeakPolarHBondContact O-CB 3.44Å; N79-S113 PolarHBondContact O-OG 3.1Å; D109-S113 WeakPolarHBondContact O-CB 3.29Å; D109-S113 PolarHBondContact O-N 3.43Å; D110-S113 WeakPolarHBondContact O-CB 3.24Å; D110-S113 PolarHBondContact O-N 3.35Å; E111-S113 VanDerWaalsContact C-N 3.27Å; E111-S113 PolarHBondContact O-N 3.19Å; S113-R115 PolarHBondContact O-N 3.32Å; S113-G116 WeakPolarHBondContact O-CA 3.41Å; S113-G116 PolarHBondContact O-N 3.1Å; S113-L117 PolarHBondContact O-N 3.4Å
114A93.9Very high94.2Very high1 Ų137.2 Ų37.21%0.00818%0.184CC..Hα-helixtrans-61.2-40.1178.200000112.7D110 E111 G116 L117 L118 F151 F154 F285D110-A114 WeakPolarHBondContact O-CB 3.48Å; D110-A114 PolarHBondContact O-N 3.39Å; E111-A114 PolarHBondContact O-N 3.3Å; E111-A114 VanDerWaalsContact O-N 3.16Å; A114-G116 VanDerWaalsContact C-N 3.29Å; A114-G116 PolarHBondContact O-N 2.87Å; A114-L117 WeakPolarHBondContact O-CB 3.21Å; A114-L117 PolarHBondContact O-N 3.11Å; A114-L118 PolarHBondContact O-N 2.86Å; A114-F151 HydrophobicContact CB-CE2 4.16Å; A114-F151 HydrophobicContact CB-CZ 3.88Å; A114-F154 HydrophobicContact CB-CE2 4.32Å; A114-F285 HydrophobicContact CB-CD2 3.64Å; A114-F285 HydrophobicContact CB-CE2 3.85Å; A114-F285 HydrophobicContact CB-CG 4.31Å
115R93.9Very high94.4Very high0 Ų039.6 Ų39.60%019%0.186CC..Hα-helixtrans-61.2-39172.2-68.1174.4-172-156.5-1.4111.2I95 N96 G97 P99 E111 F112 S113 L118 Y119 Y157 D160I95-R115 HydrophobicContact CB-CB 4.15Å; I95-R115 HydrophobicContact CD1-CB 4.28Å; N96-R115 PolarHBondContact O-NH1 2.88Å; G97-R115 PolarHBondContact O-NH1 2.9Å; P99-R115 VanDerWaalsContact CA-NH2 3.31Å; P99-R115 VanDerWaalsContact CB-NH2 3.34Å; E111-R115 HydrophobicContact CG-CG 4.3Å; E111-R115 VanDerWaalsContact O-CG 3.31Å; E111-R115 WeakPolarHBondContact O-CG 3.38Å; E111-R115 PolarHBondContact O-N 3.07Å; E111-R115 IonicContact OE1-CZ 2.72Å; E111-R115 IonicContact OE1-NE 3.82Å; E111-R115 PolarHBondContact OE1-NE 3.41Å; E111-R115 IonicContact OE1-NH2 3.77Å; E111-R115 PolarHBondContact OE1-NH2 3.38Å; F112-R115 PolarHBondContact O-N 2.88Å; S113-R115 PolarHBondContact O-N 3.32Å; R115-L118 WeakPolarHBondContact O-CB 3.38Å; R115-L118 PolarHBondContact O-N 3.44Å; R115-Y119 VanDerWaalsContact O-CD2 3.31Å; R115-Y119 WeakPolarHBondContact O-CD2 3.4Å; R115-Y119 PolarHBondContact O-N 3.39Å; R115-Y157 HydrophobicContact CG-CD1 4.16Å; R115-Y157 HydrophobicContact CG-CD2 4.03Å; R115-Y157 HydrophobicContact CG-CE1 4.19Å; R115-Y157 HydrophobicContact CG-CE2 4.08Å; R115-Y157 HydrophobicContact CG-CG 4.11Å; R115-Y157 VanDerWaalsContact NH2-CB 3.35Å; R115-D160 VanDerWaalsContact CZ-O 3.27Å; R115-D160 PolarHBondContact NH1-O 2.81Å; R115-D160 PolarHBondContact NH2-O 3.15Å
116G95.1Very high94.7Very high1 Ų133.4 Ų33.41%0.0117%0.165CC..Hα-helixtrans-57.6-48.5172.200000112.7F112 S113 A114 L118 Y119 N120 L121F112-G116 PolarHBondContact O-N 2.96Å; S113-G116 WeakPolarHBondContact O-CA 3.41Å; S113-G116 PolarHBondContact O-N 3.1Å; A114-G116 VanDerWaalsContact C-N 3.29Å; A114-G116 PolarHBondContact O-N 2.87Å; G116-L118 VanDerWaalsContact C-N 3.32Å; G116-L118 PolarHBondContact O-N 3.24Å; G116-Y119 CarbonylContact O-C 3.47Å; G116-Y119 PolarHBondContact O-N 3.33Å; G116-N120 PolarHBondContact O-N 3Å; G116-L121 WeakPolarHBondContact O-CB 3.25Å; G116-L121 PolarHBondContact O-N 3.32Å
117L93.5Very high94.9Very high46 Ų4636.4 Ų36.424%0.24118%0.184CC..Hα-helixtrans-59.7-39.9177.8-67173.4000112.4N79 S113 A114 Y119 N120 F285N79-L117 HydrophobicContact CB-CD1 4.49Å; S113-L117 PolarHBondContact O-N 3.4Å; A114-L117 WeakPolarHBondContact O-CB 3.21Å; A114-L117 PolarHBondContact O-N 3.11Å; L117-Y119 PolarHBondContact O-N 3.47Å; L117-Y119 VanDerWaalsContact O-N 3.13Å; L117-N120 PolarHBondContact O-N 3.47Å; L117-F285 HydrophobicContact CD1-CD2 3.85Å; L117-F285 HydrophobicContact CD1-CE2 4.12Å
118L91.4Very high94.7Very high43 Ų4341 Ų4123%0.22521%0.205CC..Hα-helixtrans-57.1-27.4174.7-71.3-179.3000113.4A114 R115 G116 F154 Y157 W281A114-L118 PolarHBondContact O-N 2.86Å; R115-L118 WeakPolarHBondContact O-CB 3.38Å; R115-L118 PolarHBondContact O-N 3.44Å; G116-L118 VanDerWaalsContact C-N 3.32Å; G116-L118 PolarHBondContact O-N 3.24Å; L118-F154 HydrophobicContact CD1-CD2 4.31Å; L118-F154 HydrophobicContact CD1-CE2 3.73Å; L118-F154 HydrophobicContact CD2-CE2 4.46Å; L118-F154 HydrophobicContact CG-CE2 4.18Å; L118-Y157 HydrophobicContact CD1-CD1 4.43Å; L118-Y157 HydrophobicContact CD1-CE1 3.67Å; L118-W281 HydrophobicContact CD2-CD2 4.22Å; L118-W281 HydrophobicContact CD2-CE3 4.32Å; L118-W281 HydrophobicContact CD2-CH2 3.48Å; L118-W281 VanDerWaalsContact CD2-CH2 3.48Å; L118-W281 HydrophobicContact CD2-CZ2 3.32Å; L118-W281 HydrophobicContact CD2-CZ3 3.98Å
119Y93.7Very high94.6Very high74 Ų7446.7 Ų46.729%0.2923%0.229SC..THydrogen-bonded Turntrans-102.919.8178.6-73.8-73.4000113.7K94 I95 R115 G116 L117 L121 Y157K94-Y119 HydrophobicContact CD-CD1 4.24Å; K94-Y119 HydrophobicContact CD-CG 4.29Å; K94-Y119 HydrophobicContact CG-CD1 4Å; K94-Y119 HydrophobicContact CG-CE1 4.27Å; K94-Y119 HydrophobicContact CG-CG 4.18Å; K94-Y119 PolarHBondContact NZ-O 3.35Å; K94-Y119 VanDerWaalsContact NZ-O 3.1Å; K94-Y119 WeakPolarHBondContact O-CE2 3.37Å; K94-Y119 VanDerWaalsContact O-CZ 3.28Å; K94-Y119 PolarHBondContact O-OH 3.3Å; I95-Y119 HydrophobicContact CB-CD2 4.09Å; I95-Y119 HydrophobicContact CB-CE2 4.23Å; I95-Y119 HydrophobicContact CG2-CD2 3.51Å; I95-Y119 HydrophobicContact CG2-CE2 4.11Å; I95-Y119 HydrophobicContact CG2-CG 4.23Å; R115-Y119 VanDerWaalsContact O-CD2 3.31Å; R115-Y119 WeakPolarHBondContact O-CD2 3.4Å; R115-Y119 PolarHBondContact O-N 3.39Å; G116-Y119 CarbonylContact O-C 3.47Å; G116-Y119 PolarHBondContact O-N 3.33Å; L117-Y119 PolarHBondContact O-N 3.47Å; L117-Y119 VanDerWaalsContact O-N 3.13Å; Y119-L121 PolarHBondContact O-N 3.1Å; Y119-Y157 WeakPolarHBondContact CE2-OH 3.47Å; Y119-Y157 PolarHBondContact OH-OH 2.84Å; Y119-Y157 VanDerWaalsContact OH-OH 3.09Å
120N95.1Very high94.6Very high149 Ų14946.9 Ų46.980%0.79723%0.23SC*.THydrogen-bonded Turntrans56.728.2-179-60.1-46.2000113.7G116 L117G116-N120 PolarHBondContact O-N 3Å; L117-N120 PolarHBondContact O-N 3.47Å
121L96.5Very high94.7Very high10 Ų1046.2 Ų46.25%0.05223%0.227CC..  trans-78.2132169.6-54.9-177.3000108.4M87 N91 I95 G116 Y119M87-L121 HydrophobicContact CE-CD1 4.21Å; N91-L121 HydrophobicContact CB-CD1 3.93Å; I95-L121 HydrophobicContact CG2-CD1 3.94Å; G116-L121 WeakPolarHBondContact O-CB 3.25Å; G116-L121 PolarHBondContact O-N 3.32Å; Y119-L121 PolarHBondContact O-N 3.1Å
122K96.1Very high94.9Very high144 Ų14450.2 Ų50.263%0.62624%0.241SC*.  trans-79.8145.2172.6-63.3178.8-177.5175.70109.5E60 L61 T124E60-K122 HydrophobicContact CG-CB 4.36Å; E60-K122 PolarHBondContact OE2-N 3.23Å; L61-K122 PolarHBondContact N-O 3.44Å; L61-K122 VanDerWaalsContact O-O 3.14Å; K122-T124 HydrophobicContact CB-CG2 4.21Å; K122-T124 PolarHBondContact O-N 3.24Å
123L96.5Very high95Very high31 Ų3150.2 Ų50.216%0.16224%0.241CC..EExtended strand (participates in β ladder)trans-86.6102.3166-174.265.9000108.7L61 H63 A81L61-L123 HydrophobicContact CB-CD1 4.47Å; L61-L123 HydrophobicContact CD2-CD1 3.93Å; L61-L123 HydrophobicContact CG-CD1 3.69Å; L61-L123 CarbonylContact O-C 3.55Å; L61-L123 WeakPolarHBondContact O-CA 3.47Å; H63-L123 HydrophobicContact CB-CD1 3.85Å; H63-L123 HydrophobicContact CB-CG 4.43Å; A81-L123 HydrophobicContact CB-CD1 3.97Å
124T96.9Very high95.1Very high41 Ų4155.1 Ų55.125%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-98.3153.2179.9630000110.8E60 L61 R62 H63 K122E60-T124 HydrophobicContact CB-CG2 3.87Å; E60-T124 HydrophobicContact CG-CG2 3.99Å; L61-T124 PolarHBondContact O-N 3.41Å; R62-T124 WeakPolarHBondContact CA-O 3.27Å; R62-T124 WeakPolarHBondContact CG-OG1 3.46Å; H63-T124 PolarHBondContact N-O 2.73Å; K122-T124 HydrophobicContact CB-CG2 4.21Å; K122-T124 PolarHBondContact O-N 3.24Å
125R96.5Very high95.2Very high75 Ų7555.5 Ų55.528%0.28327%0.266SS..  trans-137147.2-178.5-71.6173.7174.2111.7-0.4109.8H63 P66 L78 S80H63-R125 HydrophobicContact CB-CG 4.06Å; H63-R125 PolarHBondContact ND1-NE 3.4Å; P66-R125 HydrophobicContact CB-CB 4.34Å; P66-R125 VanDerWaalsContact CB-CD 3.47Å; P66-R125 HydrophobicContact CB-CG 3.87Å; P66-R125 HydrophobicContact CG-CB 4.22Å; P66-R125 HydrophobicContact CG-CG 4.24Å; L78-R125 VanDerWaalsContact O-CZ 3.28Å; L78-R125 PolarHBondContact O-NH1 3.35Å; L78-R125 PolarHBondContact O-NH2 3.05Å; S80-R125 PolarHBondContact O-NH2 3.46Å
126P96Very high95.1Very high23 Ų2358.3 Ų58.315%0.14928%0.284CS..  trans-63.4162.8163.231.4-36000110.1H63 P66 I130 G131H63-P126 WeakPolarHBondContact O-CD 3.14Å; P66-P126 HydrophobicContact CG-CG 4.25Å; P126-I130 HydrophobicContact CB-CB 4.38Å; P126-I130 HydrophobicContact CB-CG2 4.12Å; P126-G131 VanDerWaalsContact CG-CA 3.5Å
127P94.3Very high94.9Very high70 Ų7069.9 Ų69.946%0.45533%0.327SS..  trans-51.5143.1168.9-26.635.8000111.5F129 I130 G131P127-F129 HydrophobicContact CB-CD1 3.78Å; P127-F129 HydrophobicContact CB-CE1 3.43Å; P127-F129 VanDerWaalsContact CB-CE1 3.43Å; P127-F129 HydrophobicContact CB-CZ 4.18Å; P127-F129 HydrophobicContact CG-CE1 4.31Å; P127-F129 PolarHBondContact O-N 2.98Å; P127-F129 VanDerWaalsContact O-N 3.1Å; P127-I130 HydrophobicContact CB-CD1 4.31Å; P127-I130 HydrophobicContact CB-CG1 4.45Å; P127-I130 HydrophobicContact CG-CD1 4.05Å; P127-I130 WeakPolarHBondContact O-CA 3.25Å; P127-I130 WeakPolarHBondContact O-CB 3.41Å; P127-I130 PolarHBondContact O-N 2.72Å; P127-G131 PolarHBondContact O-N 3.17Å
128E88.7Confident94.8Very high101 Ų10172.2 Ų72.247%0.47234%0.337SS..THydrogen-bonded Turntrans-54.4-36.8-171.5-168.8-165.4135.600113.4A67 I130 R132A67-E128 HydrophobicContact CB-CG 4.31Å; E128-I130 VanDerWaalsContact C-N 3.31Å; E128-I130 PolarHBondContact O-N 3.3Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å
129F92.9Very high94.7Very high131 Ų13179.5 Ų79.558%0.57537%0.367SS*.THydrogen-bonded Turntrans-74.2-19.3178.972-87.4000114.1P127P127-F129 HydrophobicContact CB-CD1 3.78Å; P127-F129 HydrophobicContact CB-CE1 3.43Å; P127-F129 VanDerWaalsContact CB-CE1 3.43Å; P127-F129 HydrophobicContact CB-CZ 4.18Å; P127-F129 HydrophobicContact CG-CE1 4.31Å; P127-F129 PolarHBondContact O-N 2.98Å; P127-F129 VanDerWaalsContact O-N 3.1Å
130I96.6Very high94.2Very high30 Ų3082.1 Ų82.115%0.15438%0.379CS..THydrogen-bonded Turntrans-91.9-42176-66176.6000110E52 N53 P126 P127 E128 R132E52-I130 HydrophobicContact CB-CD1 4.43Å; E52-I130 HydrophobicContact CB-CG1 4.5Å; E52-I130 HydrophobicContact CB-CG2 4.13Å; N53-I130 HydrophobicContact CB-CG2 3.75Å; P126-I130 HydrophobicContact CB-CB 4.38Å; P126-I130 HydrophobicContact CB-CG2 4.12Å; P127-I130 HydrophobicContact CB-CD1 4.31Å; P127-I130 HydrophobicContact CB-CG1 4.45Å; P127-I130 HydrophobicContact CG-CD1 4.05Å; P127-I130 WeakPolarHBondContact O-CA 3.25Å; P127-I130 WeakPolarHBondContact O-CB 3.41Å; P127-I130 PolarHBondContact O-N 2.72Å; E128-I130 VanDerWaalsContact C-N 3.31Å; E128-I130 PolarHBondContact O-N 3.3Å; I130-R132 PolarHBondContact O-N 3.12Å
131G96.7Very high93.6Very high0 Ų084.8 Ų84.80%038%0.38CS..SBendtrans-74.223-178.500000115.8P66 A67 P126 P127P66-G131 WeakPolarHBondContact CD-O 3.14Å; A67-G131 PolarHBondContact N-O 2.86Å; P126-G131 VanDerWaalsContact CG-CA 3.5Å; P127-G131 PolarHBondContact O-N 3.17Å
132R97.6Very high93.1Very high83 Ų8389.2 Ų89.231%0.31341%0.412SS..EExtended strand (participates in β ladder)trans-83.3136.5-177.2-64.9-168.4174.4171.8-2.6111.9E49 A67 Y73 E128 I130E49-R132 HydrophobicContact CB-CB 4.12Å; E49-R132 HydrophobicContact CG-CB 4.11Å; E49-R132 PolarHBondContact N-O 3.03Å; A67-R132 HydrophobicContact CB-CG 4.12Å; A67-R132 CarbonylContact O-C 3.53Å; A67-R132 VanDerWaalsContact O-CA 3.26Å; A67-R132 WeakPolarHBondContact O-CA 3.29Å; Y73-R132 HydrophobicContact CD1-CB 4.18Å; Y73-R132 HydrophobicContact CD1-CG 3.91Å; Y73-R132 HydrophobicContact CE1-CB 4.12Å; Y73-R132 HydrophobicContact CE1-CG 4.22Å; E128-R132 WeakPolarHBondContact O-CG 3.45Å; I130-R132 PolarHBondContact O-N 3.12Å
133Y97.9Very high92.6Very high0 Ų086.6 Ų86.60%040%0.404CS..EExtended strand (participates in β ladder)trans-129.7143.5176.9-80.1-107.2000111.5L46 L47 P48 N53 Y55 L64 S65 A67 V68 D69 V84L46-Y133 HydrophobicContact CB-CD1 3.71Å; L46-Y133 HydrophobicContact CB-CE1 4.32Å; L47-Y133 CarbonylContact O-C 3.59Å; L47-Y133 VanDerWaalsContact O-CA 3.24Å; L47-Y133 WeakPolarHBondContact O-CA 3.3Å; P48-Y133 HydrophobicContact CB-CD1 4.34Å; P48-Y133 HydrophobicContact CB-CE1 3.85Å; P48-Y133 HydrophobicContact CB-CE2 4.25Å; P48-Y133 HydrophobicContact CG-CE1 4.3Å; N53-Y133 VanDerWaalsContact ND2-CE2 3.31Å; N53-Y133 WeakPolarHBondContact ND2-CE2 3.47Å; N53-Y133 PolarHBondContact ND2-OH 2.89Å; Y55-Y133 VanDerWaalsContact CE2-OH 3.25Å; Y55-Y133 WeakPolarHBondContact CE2-OH 3.34Å; Y55-Y133 VanDerWaalsContact CZ-OH 3.29Å; Y55-Y133 WeakPolarHBondContact OH-CE1 3.46Å; Y55-Y133 PolarHBondContact OH-OH 3.47Å; L64-Y133 WeakPolarHBondContact O-CE2 3.46Å; S65-Y133 VanDerWaalsContact CA-CD2 3.46Å; S65-Y133 VanDerWaalsContact CA-CE2 3.47Å; S65-Y133 VanDerWaalsContact CB-CD2 3.43Å; A67-Y133 PolarHBondContact O-N 2.83Å; V68-Y133 WeakPolarHBondContact CA-O 3.29Å; D69-Y133 PolarHBondContact N-O 3.18Å; V84-Y133 HydrophobicContact CB-CE1 4.43Å; V84-Y133 HydrophobicContact CG2-CD1 4.38Å; V84-Y133 HydrophobicContact CG2-CE1 3.75Å
134K97.2Very high92.1Very high105 Ų10586.5 Ų86.546%0.45741%0.406SS..EExtended strand (participates in β ladder)trans-95.8125.9168.4-169.876.2-171.3165.10109.5L47 D69 P136L47-K134 PolarHBondContact N-O 2.84Å; L47-K134 PolarHBondContact O-N 3.46Å; D69-K134 HydrophobicContact CB-CD 4.48Å; D69-K134 VanDerWaalsContact OD2-CD 3.23Å; D69-K134 WeakPolarHBondContact OD2-CD 3.02Å; D69-K134 WeakPolarHBondContact OD2-CE 3.41Å; D69-K134 IonicContact OD2-NZ 2.65Å; D69-K134 PolarHBondContact OD2-NZ 2.91Å; K134-P136 WeakPolarHBondContact O-CD 3.28Å
135A95.7Very high91.6Very high8 Ų894.6 Ų94.67%0.06644%0.438CS..  trans-95.7109.4168.900000110.3D45 L46 V68 D69 D70 R137D45-A135 WeakPolarHBondContact O-CA 3.31Å; L46-A135 HydrophobicContact CD2-CB 3.97Å; V68-A135 HydrophobicContact CG1-CB 3.85Å; D69-A135 PolarHBondContact OD1-N 2.9Å; D70-A135 HydrophobicContact CB-CB 4.3Å; A135-R137 PolarHBondContact O-N 2.9Å
136P93.2Very high91Very high59 Ų5995 Ų9538%0.38344%0.442SS..  trans-59.2136.3171.1-22.936.6000110.2D45 L47 K134 H138D45-P136 WeakPolarHBondContact O-CD 3.29Å; L47-P136 HydrophobicContact CD1-CG 4.26Å; K134-P136 WeakPolarHBondContact O-CD 3.28Å; P136-H138 PolarHBondContact O-CD2 3.47Å; P136-H138 PolarHBondContact O-N 3.21Å
137R90.6Very high90.5Very high244 Ų24495.8 Ų95.892%0.92144%0.443SS*.  trans-66.1126.8-176.6-65.3-179.1-179.7169.30.2111.2A135A135-R137 PolarHBondContact O-N 2.9Å
138H90.2Very high90Very high96 Ų9697.1 Ų97.144%0.44444%0.443SS..  trans-144.5169.4170.467.791.7000110.5D45 P136 K140D45-H138 IonicContact OD2-CD2 3.83Å; D45-H138 IonicContact OD2-CE1 2.84Å; D45-H138 PolarHBondContact OD2-CE1 3.44Å; D45-H138 IonicContact OD2-NE2 3.76Å; D45-H138 PolarHBondContact OD2-NE2 3.42Å; P136-H138 PolarHBondContact O-CD2 3.47Å; P136-H138 PolarHBondContact O-N 3.21Å; H138-K140 PolarHBondContact O-N 3.05Å
139K89.8Confident89.8Confident195 Ų19594.6 Ų94.685%0.84844%0.437SS*.PPolyproline II helixtrans-68.3119174-175.5178.3179.71800109.2
140K83.9Confident89.5Confident129 Ų12989 Ų8956%0.56141%0.413SS*.PPolyproline II helixtrans-83.1145.2175.3-61.1-172179.6-174.70110.8D70 H138D70-K140 WeakPolarHBondContact OD2-CE 3.5Å; D70-K140 IonicContact OD2-NZ 3.17Å; D70-K140 PolarHBondContact OD2-NZ 3.37Å; H138-K140 PolarHBondContact O-N 3.05Å
141Y83.1Confident89Confident205 Ų20587.6 Ų87.680%0.80441%0.406SS*.PPolyproline II helixtrans-81.1152.1170.9-85.8-91.1000110.5
142S85Confident88.4Confident104 Ų10489.4 Ų89.473%0.72742%0.415SS*.PPolyproline II helixtrans-72.1149.6172.158.60000111S144S142-S144 PolarHBondContact O-N 3.28Å
143I85.1Confident87.6Confident89 Ų8988.6 Ų88.646%0.45641%0.414SS..BIsolated β-bridgetrans-55.2135.5174.1-38.6-169.2000110.5W105 F145 H147W105-I143 HydrophobicContact CE3-CB 3.8Å; W105-I143 HydrophobicContact CE3-CD1 4.32Å; W105-I143 HydrophobicContact CE3-CG1 3.6Å; W105-I143 HydrophobicContact CE3-CG2 3.74Å; W105-I143 HydrophobicContact CH2-CD1 4.36Å; W105-I143 HydrophobicContact CH2-CG1 4.33Å; W105-I143 HydrophobicContact CZ3-CB 3.93Å; W105-I143 HydrophobicContact CZ3-CD1 3.54Å; W105-I143 HydrophobicContact CZ3-CG1 3.29Å; W105-I143 HydrophobicContact CZ3-CG2 3.81Å; I143-F145 PolarHBondContact O-N 2.88Å; I143-H147 HydrophobicContact CG2-CB 4.26Å; I143-H147 WeakPolarHBondContact CG2-CD2 3.47Å
144S86.6Confident86.8Confident29 Ų2988.6 Ų88.620%0.20341%0.414CS..PPolyproline II helixtrans-63.5127.9172.4179.20000109.8W105 S142 K146 H147W105-S144 WeakPolarHBondContact O-CB 3.46Å; W105-S144 PolarHBondContact O-N 3.24Å; S142-S144 PolarHBondContact O-N 3.28Å; S144-K146 PolarHBondContact O-N 2.95Å; S144-K146 PolarHBondContact OG-N 3.3Å; S144-H147 WeakPolarHBondContact O-CB 3.3Å; S144-H147 PolarHBondContact O-CD2 2.85Å; S144-H147 PolarHBondContact O-N 3.47Å
145F86.3Confident85.9Confident210 Ų21087 Ų8792%0.92141%0.405SS*.THydrogen-bonded Turntrans-55.1-21176.6-174.7-97.7000113.5I143I143-F145 PolarHBondContact O-N 2.88Å
146K84.5Confident85Confident85 Ų8589.5 Ų89.537%0.3742%0.417SS..THydrogen-bonded Turntrans-91-8.5-178.3-64.1176.9-175160.40114.4S144 Q148 S149 D150 Y264S144-K146 PolarHBondContact O-N 2.95Å; S144-K146 PolarHBondContact OG-N 3.3Å; K146-Q148 PolarHBondContact O-N 3.39Å; K146-S149 CarbonylContact O-C 3.58Å; K146-S149 WeakPolarHBondContact O-CA 3.5Å; K146-S149 PolarHBondContact O-N 3.11Å; K146-S149 PolarHBondContact O-OG 2.83Å; K146-D150 WeakPolarHBondContact CB-OD2 3.15Å; K146-D150 PolarHBondContact O-N 3.31Å; K146-Y264 PolarHBondContact NZ-OH 2.98Å
147H84.6Confident84.5Confident38 Ų3887.1 Ų87.118%0.17640%0.401CS..Hα-helixtrans-53.5-48-166.680.7102.5000113.2S107 I143 S144 D150 F151S107-H147 PolarHBondContact OG-ND1 3.02Å; I143-H147 HydrophobicContact CG2-CB 4.26Å; I143-H147 WeakPolarHBondContact CG2-CD2 3.47Å; S144-H147 WeakPolarHBondContact O-CB 3.3Å; S144-H147 PolarHBondContact O-CD2 2.85Å; S144-H147 PolarHBondContact O-N 3.47Å; H147-D150 PolarHBondContact O-N 3.32Å; H147-F151 PolarHBondContact O-N 3.22Å
148Q84.5Confident84Confident98 Ų9880.2 Ų80.246%0.45838%0.382SS..Hα-helixtrans-63.8-45.4176-65174.8-1700112K146 D150 F151 L152K146-Q148 PolarHBondContact O-N 3.39Å; Q148-D150 PolarHBondContact O-N 2.73Å; Q148-F151 PolarHBondContact O-N 3.1Å; Q148-L152 WeakPolarHBondContact O-CG 3.48Å; Q148-L152 PolarHBondContact O-N 2.95Å
149S84.6Confident83.6Confident49 Ų4979.4 Ų79.434%0.34338%0.378SS..Hα-helixtrans-64.7-29.3-179.677.80000112.5K146 K153K146-S149 CarbonylContact O-C 3.58Å; K146-S149 WeakPolarHBondContact O-CA 3.5Å; K146-S149 PolarHBondContact O-N 3.11Å; K146-S149 PolarHBondContact O-OG 2.83Å; S149-K153 WeakPolarHBondContact O-CD 3.31Å; S149-K153 WeakPolarHBondContact O-CE 3.5Å; S149-K153 WeakPolarHBondContact O-CG 3.31Å
150D85.4Confident83.6Confident13 Ų1370.1 Ų70.17%0.0734%0.338CS..Hα-helixtrans-79.1-42.9176.3-73.4-26.7000110.3R101 K146 H147 Q148 L152 K153R101-D150 PolarHBondContact NE-O 2.9Å; R101-D150 PolarHBondContact NH2-O 2.96Å; K146-D150 WeakPolarHBondContact CB-OD2 3.15Å; K146-D150 PolarHBondContact O-N 3.31Å; H147-D150 PolarHBondContact O-N 3.32Å; Q148-D150 PolarHBondContact O-N 2.73Å; D150-L152 PolarHBondContact O-N 2.93Å; D150-K153 PolarHBondContact O-N 3.47Å; D150-K153 VanDerWaalsContact O-N 3.17Å; D150-K153 IonicContact OD1-NZ 2.65Å; D150-K153 PolarHBondContact OD1-NZ 2.89Å
151F86.2Confident84Confident0 Ų064 Ų640%031%0.311CS..Hα-helixtrans-57-45.7172.9-173.8-76.5000112D110 E111 A114 H147 Q148 K153 F154 Y282 F285D110-F151 HydrophobicContact CB-CD2 3.84Å; D110-F151 HydrophobicContact CB-CE2 3.66Å; E111-F151 HydrophobicContact CB-CD2 3.9Å; E111-F151 HydrophobicContact CB-CE2 4.08Å; A114-F151 HydrophobicContact CB-CE2 4.16Å; A114-F151 HydrophobicContact CB-CZ 3.88Å; H147-F151 PolarHBondContact O-N 3.22Å; Q148-F151 PolarHBondContact O-N 3.1Å; F151-K153 PolarHBondContact O-N 2.72Å; F151-F154 HydrophobicContact CD1-CD1 4.32Å; F151-F154 HydrophobicContact CE1-CD1 4.06Å; F151-F154 HydrophobicContact CE1-CE1 4.25Å; F151-F154 VanDerWaalsContact O-CB 3.28Å; F151-F154 WeakPolarHBondContact O-CB 3.26Å; F151-F154 VanDerWaalsContact O-CD1 3.31Å; F151-F154 WeakPolarHBondContact O-CD1 3.42Å; F151-F154 PolarHBondContact O-N 2.94Å; F151-Y282 AromaticContact CD1-CD2 3.52Å; F151-Y282 HydrophobicContact CD1-CD2 3.52Å; F151-Y282 HydrophobicContact CD1-CE2 4.35Å; F151-Y282 HydrophobicContact CD1-CG 4.39Å; F151-Y282 AromaticContact CE1-CD2 3.93Å; F151-Y282 HydrophobicContact CE1-CD2 3.93Å; F151-Y282 HydrophobicContact CG-CD2 4.29Å; F151-F285 AromaticContact CE2-CD1 3.98Å; F151-F285 HydrophobicContact CE2-CD1 3.98Å; F151-F285 HydrophobicContact CE2-CE1 4.15Å; F151-F285 HydrophobicContact CE2-CG 4.38Å; F151-F285 HydrophobicContact CZ-CB 4Å; F151-F285 AromaticContact CZ-CD1 3.66Å; F151-F285 HydrophobicContact CZ-CD1 3.66Å; F151-F285 HydrophobicContact CZ-CD2 4.38Å; F151-F285 HydrophobicContact CZ-CE1 4.27Å; F151-F285 AromaticContact CZ-CG 3.73Å; F151-F285 HydrophobicContact CZ-CG 3.73Å
152L85.1Confident84.5Confident39 Ų3954.3 Ų54.320%0.20427%0.273CS..THydrogen-bonded Turntrans-54.3-25.2-179.6-78.7167.7000113.4Q148 D150 F154 S278 L279 Y282Q148-L152 WeakPolarHBondContact O-CG 3.48Å; Q148-L152 PolarHBondContact O-N 2.95Å; D150-L152 PolarHBondContact O-N 2.93Å; L152-F154 VanDerWaalsContact C-N 3.26Å; L152-F154 PolarHBondContact O-N 3.17Å; L152-S278 WeakPolarHBondContact O-CB 3.49Å; L152-S278 PolarHBondContact O-OG 3.31Å; L152-L279 HydrophobicContact CD2-CD1 4.32Å; L152-Y282 HydrophobicContact CD2-CD2 4.15Å; L152-Y282 HydrophobicContact CD2-CG 3.85Å; L152-Y282 HydrophobicContact CG-CD2 4.32Å; L152-Y282 HydrophobicContact CG-CG 4.5Å
153K80.4Confident84.8Confident66 Ų6650.4 Ų50.429%0.28725%0.246SC..THydrogen-bonded Turntrans-83.92.5179.9-54.8162.7-169.91510113.8S149 D150 F151 R155 P270 N274S149-K153 WeakPolarHBondContact O-CD 3.31Å; S149-K153 WeakPolarHBondContact O-CE 3.5Å; S149-K153 WeakPolarHBondContact O-CG 3.31Å; D150-K153 PolarHBondContact O-N 3.47Å; D150-K153 VanDerWaalsContact O-N 3.17Å; D150-K153 IonicContact OD1-NZ 2.65Å; D150-K153 PolarHBondContact OD1-NZ 2.89Å; F151-K153 PolarHBondContact O-N 2.72Å; K153-R155 VanDerWaalsContact C-N 3.26Å; K153-R155 PolarHBondContact O-N 3.39Å; K153-R155 VanDerWaalsContact O-N 3.14Å; K153-P270 HydrophobicContact CB-CB 4.28Å; K153-P270 HydrophobicContact CB-CG 3.32Å; K153-P270 HydrophobicContact CD-CG 4.28Å; K153-P270 HydrophobicContact CG-CG 4.33Å; K153-P270 WeakPolarHBondContact O-CB 3.34Å; K153-P270 VanDerWaalsContact O-CG 3.23Å; K153-P270 WeakPolarHBondContact O-CG 3.29Å; K153-N274 WeakPolarHBondContact CG-OD1 3.1Å
154F81.7Confident84.9Confident0 Ų046.5 Ų46.50%023%0.226CC..G310 helixtrans-62.4-27.9-167.285.7-76.8000113.3E111 A114 L118 F151 L152 N156 Y157 W281E111-F154 HydrophobicContact CG-CB 3.76Å; A114-F154 HydrophobicContact CB-CE2 4.32Å; L118-F154 HydrophobicContact CD1-CD2 4.31Å; L118-F154 HydrophobicContact CD1-CE2 3.73Å; L118-F154 HydrophobicContact CD2-CE2 4.46Å; L118-F154 HydrophobicContact CG-CE2 4.18Å; F151-F154 HydrophobicContact CD1-CD1 4.32Å; F151-F154 HydrophobicContact CE1-CD1 4.06Å; F151-F154 HydrophobicContact CE1-CE1 4.25Å; F151-F154 VanDerWaalsContact O-CB 3.28Å; F151-F154 WeakPolarHBondContact O-CB 3.26Å; F151-F154 VanDerWaalsContact O-CD1 3.31Å; F151-F154 WeakPolarHBondContact O-CD1 3.42Å; F151-F154 PolarHBondContact O-N 2.94Å; L152-F154 VanDerWaalsContact C-N 3.26Å; L152-F154 PolarHBondContact O-N 3.17Å; F154-N156 PolarHBondContact O-N 3.42Å; F154-Y157 WeakPolarHBondContact O-CA 3.45Å; F154-Y157 WeakPolarHBondContact O-CB 3.48Å; F154-Y157 WeakPolarHBondContact O-CD1 3.24Å; F154-Y157 PolarHBondContact O-N 2.95Å; F154-W281 HydrophobicContact CE1-CB 3.34Å; F154-W281 AromaticContact CE1-CG 3.97Å; F154-W281 HydrophobicContact CE1-CG 3.97Å; F154-W281 HydrophobicContact CZ-CB 3.34Å; F154-W281 AromaticContact CZ-CD2 3.88Å; F154-W281 HydrophobicContact CZ-CD2 3.88Å; F154-W281 HydrophobicContact CZ-CE3 4.26Å; F154-W281 AromaticContact CZ-CG 3.48Å; F154-W281 HydrophobicContact CZ-CG 3.48Å; F154-W281 VanDerWaalsContact CZ-CG 3.48Å
155R77.7Confident85.1Confident71 Ų7145.2 Ų45.227%0.26822%0.216SC..G310 helixtrans-55.8-25.6-173.7-76.9-69.7-72.4116.5-0.3115.4K153 E277 W281K153-R155 VanDerWaalsContact C-N 3.26Å; K153-R155 PolarHBondContact O-N 3.39Å; K153-R155 VanDerWaalsContact O-N 3.14Å; R155-E277 IonicContact CZ-OE1 2.81Å; R155-E277 IonicContact NE-OE1 2.71Å; R155-E277 PolarHBondContact NE-OE1 3.19Å; R155-E277 IonicContact NE-OE2 3.21Å; R155-E277 IonicContact NH2-OE1 3.19Å; R155-E277 PolarHBondContact NH2-OE1 2.95Å; R155-E277 IonicContact NH2-OE2 3.44Å; R155-W281 VanDerWaalsContact CD-CD1 3.44Å
156N76.1Confident85.2Confident60 Ų6039.3 Ų39.332%0.32119%0.194SC..G310 helixtrans-104.331.8176.5-54.1-50.8000113.2F154 L158 P270 I271F154-N156 PolarHBondContact O-N 3.42Å; N156-L158 PolarHBondContact O-N 2.62Å; N156-P270 HydrophobicContact CB-CB 3.69Å; N156-P270 VanDerWaalsContact O-CA 3.22Å; N156-P270 WeakPolarHBondContact O-CA 3.25Å; N156-P270 WeakPolarHBondContact O-CB 3.47Å; N156-I271 VanDerWaalsContact CB-N 3.33Å; N156-I271 WeakPolarHBondContact CB-O 3.46Å; N156-I271 PolarHBondContact ND2-O 2.94Å; N156-I271 PolarHBondContact OD1-O 2.84Å
157Y82.4Confident85.3Confident9 Ų941.4 Ų41.44%0.03521%0.205CC..G310 helixtrans-68.6-7.3-174.472.9-86.2000115.5I95 N96 R115 L118 Y119 F154 H159 D160I95-Y157 VanDerWaalsContact O-CE2 3.27Å; I95-Y157 WeakPolarHBondContact O-CE2 3.41Å; N96-Y157 HydrophobicContact CB-CD2 4.25Å; N96-Y157 HydrophobicContact CB-CE2 3.93Å; N96-Y157 PolarHBondContact ND2-O 2.69Å; R115-Y157 HydrophobicContact CG-CD1 4.16Å; R115-Y157 HydrophobicContact CG-CD2 4.03Å; R115-Y157 HydrophobicContact CG-CE1 4.19Å; R115-Y157 HydrophobicContact CG-CE2 4.08Å; R115-Y157 HydrophobicContact CG-CG 4.11Å; R115-Y157 VanDerWaalsContact NH2-CB 3.35Å; L118-Y157 HydrophobicContact CD1-CD1 4.43Å; L118-Y157 HydrophobicContact CD1-CE1 3.67Å; Y119-Y157 WeakPolarHBondContact CE2-OH 3.47Å; Y119-Y157 PolarHBondContact OH-OH 2.84Å; Y119-Y157 VanDerWaalsContact OH-OH 3.09Å; F154-Y157 WeakPolarHBondContact O-CA 3.45Å; F154-Y157 WeakPolarHBondContact O-CB 3.48Å; F154-Y157 WeakPolarHBondContact O-CD1 3.24Å; F154-Y157 PolarHBondContact O-N 2.95Å; Y157-H159 PolarHBondContact O-N 2.84Å; Y157-D160 CarbonylContact O-C 3.37Å; Y157-D160 WeakPolarHBondContact O-CA 3.38Å; Y157-D160 PolarHBondContact O-N 2.68Å
158L81.7Confident85.2Confident99 Ų9945.8 Ų45.852%0.51822%0.223SC..G310 helixtrans-59-19.1-175.5-69.1177.2000113.2N96 N156 S163N96-L158 PolarHBondContact ND2-O 3.17Å; N156-L158 PolarHBondContact O-N 2.62Å; L158-S163 PolarHBondContact O-OG 3.4Å
159H81.6Confident85.3Confident80 Ų8048.4 Ų48.437%0.3723%0.233SC..G310 helixtrans-101.313.6172.9-62.6-76.6000114.2Y157 I271Y157-H159 PolarHBondContact O-N 2.84Å; H159-I271 HydrophobicContact CB-CG1 4.45Å; H159-I271 WeakPolarHBondContact CD2-CD1 3.46Å; H159-I271 VanDerWaalsContact NE2-CD1 3.33Å; H159-I271 WeakPolarHBondContact NE2-CD1 3.23Å
160D88.3Confident85.2Confident0 Ų047 Ų470%022%0.221CC..SBendtrans-136100.6178.2-178.820.6000110.8N96 T100 R101 R115 Y157N96-D160 PolarHBondContact ND2-O 3.48Å; T100-D160 WeakPolarHBondContact CA-OD1 3.39Å; T100-D160 WeakPolarHBondContact CB-OD1 3.23Å; T100-D160 PolarHBondContact N-OD1 3.21Å; T100-D160 PolarHBondContact OG1-OD1 3.26Å; R101-D160 WeakPolarHBondContact CB-OD2 3.49Å; R101-D160 WeakPolarHBondContact CD-OD2 3.47Å; R101-D160 WeakPolarHBondContact CG-OD2 3.32Å; R101-D160 IonicContact CZ-OD2 3.42Å; R101-D160 PolarHBondContact N-OD1 3.07Å; R101-D160 IonicContact NE-OD2 3.55Å; R101-D160 IonicContact NH1-OD2 2.68Å; R101-D160 PolarHBondContact NH1-OD2 3.2Å; R115-D160 VanDerWaalsContact CZ-O 3.27Å; R115-D160 PolarHBondContact NH1-O 2.81Å; R115-D160 PolarHBondContact NH2-O 3.15Å; Y157-D160 CarbonylContact O-C 3.37Å; Y157-D160 WeakPolarHBondContact O-CA 3.38Å; Y157-D160 PolarHBondContact O-N 2.68Å
161G92.4Very high85.1Confident0 Ų047.5 Ų47.50%022%0.223CC..SBendtrans150.6-153.6-176.600000112.2N96 F98 S163 I164N96-G161 VanDerWaalsContact O-CA 3.26Å; N96-G161 WeakPolarHBondContact O-CA 3.32Å; F98-G161 WeakPolarHBondContact O-CA 3.41Å; G161-S163 PolarHBondContact O-N 3.48Å; G161-S163 VanDerWaalsContact O-N 3.11Å; G161-I164 VanDerWaalsContact O-CG2 3.29Å; G161-I164 WeakPolarHBondContact O-CG2 3.48Å; G161-I164 PolarHBondContact O-N 2.92Å; G161-I164 VanDerWaalsContact O-N 3.12Å
162L94.1Very high85Confident2 Ų253.3 Ų53.31%0.0125%0.248CC..Hα-helixtrans-52-40.6-177.4-79.2170.3000114D23 V26 L27 I92 F93 N96 I164 L165 I166D23-L162 HydrophobicContact CB-CD2 3.77Å; D23-L162 HydrophobicContact CB-CG 4.27Å; D23-L162 PolarHBondContact OD2-N 3.36Å; D23-L162 VanDerWaalsContact OD2-N 3.16Å; V26-L162 HydrophobicContact CB-CD2 4.31Å; V26-L162 HydrophobicContact CG1-CD1 4.36Å; V26-L162 HydrophobicContact CG1-CD2 4.26Å; L27-L162 HydrophobicContact CD1-CD2 4.39Å; L27-L162 HydrophobicContact CD2-CD2 4Å; L27-L162 HydrophobicContact CG-CD2 3.92Å; I92-L162 HydrophobicContact CG2-CD1 3.5Å; F93-L162 HydrophobicContact CD1-CD1 4.43Å; F93-L162 HydrophobicContact CD2-CD1 4.47Å; F93-L162 HydrophobicContact CE1-CD1 4.39Å; F93-L162 HydrophobicContact CE2-CD1 4.43Å; F93-L162 HydrophobicContact CG-CD1 4.48Å; F93-L162 HydrophobicContact CZ-CD1 4.4Å; N96-L162 PolarHBondContact O-N 3.49Å; N96-L162 VanDerWaalsContact O-N 3.09Å; N96-L162 PolarHBondContact OD1-N 2.87Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 3.29Å; L162-L165 PolarHBondContact O-N 3.04Å; L162-I166 WeakPolarHBondContact O-CG1 3.4Å; L162-I166 PolarHBondContact O-N 2.97Å
163S91.7Very high84.9Confident21 Ų2155.9 Ų55.915%0.14726%0.258CS..Hα-helixtrans-56.6-41.2-179.452.50000113.3N96 L158 G161 L165 I166 Q167N96-S163 PolarHBondContact ND2-OG 3.01Å; N96-S163 VanDerWaalsContact ND2-OG 3.12Å; N96-S163 WeakPolarHBondContact OD1-CB 3.32Å; N96-S163 PolarHBondContact OD1-N 3.48Å; N96-S163 PolarHBondContact OD1-OG 2.92Å; L158-S163 PolarHBondContact O-OG 3.4Å; G161-S163 PolarHBondContact O-N 3.48Å; G161-S163 VanDerWaalsContact O-N 3.11Å; S163-L165 VanDerWaalsContact C-N 3.35Å; S163-L165 PolarHBondContact O-N 3.05Å; S163-I166 PolarHBondContact O-N 3.32Å; S163-Q167 VanDerWaalsContact O-CB 3.24Å; S163-Q167 WeakPolarHBondContact O-CB 3.12Å; S163-Q167 WeakPolarHBondContact O-CG 3.34Å; S163-Q167 PolarHBondContact O-N 3.03Å
164I87.9Confident85Confident8 Ų853.1 Ų53.14%0.04125%0.245CC..Hα-helixtrans-68.9-37.9-179.6-160.364000111G161 L162 I166 K168 I267 L268G161-I164 VanDerWaalsContact O-CG2 3.29Å; G161-I164 WeakPolarHBondContact O-CG2 3.48Å; G161-I164 PolarHBondContact O-N 2.92Å; G161-I164 VanDerWaalsContact O-N 3.12Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 3.29Å; I164-I166 VanDerWaalsContact C-N 3.31Å; I164-I166 PolarHBondContact O-N 3.35Å; I164-K168 HydrophobicContact CD1-CG 3.66Å; I164-K168 HydrophobicContact CG1-CG 4.07Å; I164-K168 VanDerWaalsContact O-CB 3.31Å; I164-K168 WeakPolarHBondContact O-CB 3.36Å; I164-K168 PolarHBondContact O-N 2.95Å; I164-I267 HydrophobicContact CD1-CG2 4.01Å; I164-I267 HydrophobicContact CG1-CG2 3.8Å; I164-L268 HydrophobicContact CB-CD2 4.44Å; I164-L268 HydrophobicContact CG1-CD2 4.04Å; I164-L268 HydrophobicContact CG2-CD2 3.6Å
165L89.9Confident84.8Confident1 Ų155.4 Ų55.41%0.00526%0.255CS..Hα-helixtrans-64.6-38.2178.9-58.5-175.3000111.8L20 D23 V24 L27 T100 L162 S163 I170 Y171 L260L20-L165 HydrophobicContact CD1-CD1 4.04Å; L20-L165 HydrophobicContact CD1-CD2 3.62Å; L20-L165 HydrophobicContact CD1-CG 4.43Å; D23-L165 HydrophobicContact CB-CD1 3.61Å; V24-L165 HydrophobicContact CG2-CD1 4.15Å; L27-L165 HydrophobicContact CD1-CB 3.78Å; L27-L165 HydrophobicContact CD1-CD1 4.21Å; T100-L165 HydrophobicContact CG2-CD1 4.39Å; T100-L165 HydrophobicContact CG2-CD2 4.42Å; T100-L165 HydrophobicContact CG2-CG 4.39Å; L162-L165 PolarHBondContact O-N 3.04Å; S163-L165 VanDerWaalsContact C-N 3.35Å; S163-L165 PolarHBondContact O-N 3.05Å; L165-I170 HydrophobicContact CD2-CB 4.32Å; L165-I170 HydrophobicContact CD2-CD1 4.45Å; L165-I170 HydrophobicContact CD2-CG2 3.76Å; L165-I170 PolarHBondContact O-N 3.31Å; L165-Y171 PolarHBondContact O-N 3.33Å; L165-L260 HydrophobicContact CD2-CD2 4.45Å
166I89.4Confident84.7Confident86 Ų8655.5 Ų55.544%0.44126%0.261SS..Hα-helixtrans-73.5-57.1176.8-63.5166000110.6L27 F93 L162 S163 I164 K168 K169L27-I166 HydrophobicContact CD1-CG1 4.29Å; L27-I166 HydrophobicContact CD2-CD1 3.98Å; L27-I166 HydrophobicContact CD2-CG1 3.8Å; F93-I166 HydrophobicContact CE1-CD1 4.24Å; L162-I166 WeakPolarHBondContact O-CG1 3.4Å; L162-I166 PolarHBondContact O-N 2.97Å; S163-I166 PolarHBondContact O-N 3.32Å; I164-I166 VanDerWaalsContact C-N 3.31Å; I164-I166 PolarHBondContact O-N 3.35Å; I166-K168 VanDerWaalsContact C-N 3.35Å; I166-K168 PolarHBondContact O-N 2.77Å; I166-K169 PolarHBondContact O-N 3.39Å
167Q85.7Confident84.7Confident130 Ų13055.4 Ų55.461%0.60726%0.258SS*.Hα-helixtrans-61.8-40.5-172.3-72.9173.32.500112.6S163 K169S163-Q167 VanDerWaalsContact O-CB 3.24Å; S163-Q167 WeakPolarHBondContact O-CB 3.12Å; S163-Q167 WeakPolarHBondContact O-CG 3.34Å; S163-Q167 PolarHBondContact O-N 3.03Å; Q167-K169 PolarHBondContact O-N 3.22Å
168K82.8Confident84.2Confident130 Ų13055.7 Ų55.757%0.56526%0.262SS*.THydrogen-bonded Turntrans-84.65178.8-63-69.6-175.8-178.90112.9I164 I166 I170I164-K168 HydrophobicContact CD1-CG 3.66Å; I164-K168 HydrophobicContact CG1-CG 4.07Å; I164-K168 VanDerWaalsContact O-CB 3.31Å; I164-K168 WeakPolarHBondContact O-CB 3.36Å; I164-K168 PolarHBondContact O-N 2.95Å; I166-K168 VanDerWaalsContact C-N 3.35Å; I166-K168 PolarHBondContact O-N 2.77Å; K168-I170 HydrophobicContact CB-CD1 3.53Å; K168-I170 HydrophobicContact CB-CG1 3.55Å; K168-I170 HydrophobicContact CG-CD1 4.16Å; K168-I170 PolarHBondContact O-N 3.49Å
169K85.9Confident83.6Confident152 Ų15255.2 Ų55.266%0.66126%0.259SS*.THydrogen-bonded Turntrans51.228.5-175.3-58.5-176.8177.9-1780112.8I166 Q167 Y171 F172 K173I166-K169 PolarHBondContact O-N 3.39Å; Q167-K169 PolarHBondContact O-N 3.22Å; K169-Y171 PolarHBondContact O-N 2.87Å; K169-F172 HydrophobicContact CB-CB 4.44Å; K169-F172 PolarHBondContact O-N 3.37Å; K169-K173 PolarHBondContact O-N 2.82Å
170I82.4Confident83Confident19 Ų1955 Ų5510%0.09726%0.261CS..Hα-helixtrans-63.5-45.7-175.1-79.1167.8000109.3L165 K168 F172 K173 W174 L260L165-I170 HydrophobicContact CD2-CB 4.32Å; L165-I170 HydrophobicContact CD2-CD1 4.45Å; L165-I170 HydrophobicContact CD2-CG2 3.76Å; L165-I170 PolarHBondContact O-N 3.31Å; K168-I170 HydrophobicContact CB-CD1 3.53Å; K168-I170 HydrophobicContact CB-CG1 3.55Å; K168-I170 HydrophobicContact CG-CD1 4.16Å; K168-I170 PolarHBondContact O-N 3.49Å; I170-F172 PolarHBondContact O-N 2.9Å; I170-K173 PolarHBondContact O-N 3.46Å; I170-W174 HydrophobicContact CB-CE3 4.39Å; I170-W174 HydrophobicContact CB-CZ3 4.34Å; I170-W174 HydrophobicContact CG2-CD2 4.05Å; I170-W174 HydrophobicContact CG2-CE3 3.13Å; I170-W174 HydrophobicContact CG2-CH2 3.52Å; I170-W174 HydrophobicContact CG2-CZ2 4.2Å; I170-W174 HydrophobicContact CG2-CZ3 2.85Å; I170-W174 VanDerWaalsContact O-CE3 3.32Å; I170-W174 PolarHBondContact O-N 3.37Å; I170-W174 VanDerWaalsContact O-N 3.16Å; I170-L260 HydrophobicContact CD1-CD1 4Å
171Y83.7Confident81.9Confident24 Ų2458.6 Ų58.69%0.09428%0.276CS..Hα-helixtrans-58.3-48.1175.5170.7-107.2000112.3V24 L27 H28 L165 K169 K173 W174 K175 F253V24-Y171 HydrophobicContact CG1-CD2 4.32Å; V24-Y171 HydrophobicContact CG1-CE2 4.47Å; L27-Y171 HydrophobicContact CB-CD1 4.05Å; L27-Y171 HydrophobicContact CB-CD2 3.9Å; L27-Y171 HydrophobicContact CB-CE1 4.26Å; L27-Y171 HydrophobicContact CB-CE2 4.12Å; L27-Y171 HydrophobicContact CB-CG 3.89Å; L27-Y171 HydrophobicContact CD1-CD1 4.43Å; L27-Y171 HydrophobicContact CD1-CD2 4.3Å; L27-Y171 HydrophobicContact CD1-CG 3.85Å; H28-Y171 VanDerWaalsContact CA-OH 3.29Å; H28-Y171 WeakPolarHBondContact CA-OH 3.27Å; H28-Y171 HydrophobicContact CB-CE2 3.96Å; H28-Y171 PolarHBondContact ND1-OH 3.02Å; L165-Y171 PolarHBondContact O-N 3.33Å; K169-Y171 PolarHBondContact O-N 2.87Å; Y171-K173 PolarHBondContact O-N 3.09Å; Y171-W174 PolarHBondContact O-N 3.48Å; Y171-K175 HydrophobicContact CE1-CD 4.33Å; Y171-K175 WeakPolarHBondContact O-CB 3.37Å; Y171-K175 PolarHBondContact O-N 3.06Å; Y171-F253 HydrophobicContact CE2-CE1 4.38Å; Y171-F253 HydrophobicContact CE2-CZ 4.21Å
172F83.9Confident80.5Confident122 Ų12263.5 Ų63.554%0.53530%0.298SS..Hα-helixtrans-61.2-43.6-179.2-177.7-95.3000112K169 I170 W174 K175 I176K169-F172 HydrophobicContact CB-CB 4.44Å; K169-F172 PolarHBondContact O-N 3.37Å; I170-F172 PolarHBondContact O-N 2.9Å; F172-W174 VanDerWaalsContact C-N 3.34Å; F172-W174 PolarHBondContact O-N 3.19Å; F172-K175 PolarHBondContact O-N 3.27Å; F172-I176 HydrophobicContact CE1-CG1 4.17Å; F172-I176 HydrophobicContact CZ-CD1 4.4Å; F172-I176 HydrophobicContact CZ-CG1 4.29Å; F172-I176 PolarHBondContact O-N 3.32Å
173K84Confident78.8Confident94 Ų9470.3 Ų70.341%0.40933%0.333SS..Hα-helixtrans-54.7-51.5175.3-176.8-171.9178.4-169.50110.8K169 I170 Y171 K175 I176 E177 D259K169-K173 PolarHBondContact O-N 2.82Å; I170-K173 PolarHBondContact O-N 3.46Å; Y171-K173 PolarHBondContact O-N 3.09Å; K173-K175 PolarHBondContact O-N 2.81Å; K173-I176 PolarHBondContact O-N 2.82Å; K173-E177 WeakPolarHBondContact CE-OE1 2.99Å; K173-E177 IonicContact NZ-OE1 3.95Å; K173-E177 PolarHBondContact O-N 2.88Å; K173-E177 VanDerWaalsContact O-N 3.1Å; K173-D259 IonicContact NZ-OD2 2.61Å; K173-D259 PolarHBondContact NZ-OD2 3.05Å
174W80.8Confident77.2Confident7 Ų777.7 Ų77.73%0.02736%0.362CS..Hα-helixtrans-72.6-27.9-177.6-69.4-42.5000114I170 Y171 F172 I176 E177 S178 F255 D256 P257 L260I170-W174 HydrophobicContact CB-CE3 4.39Å; I170-W174 HydrophobicContact CB-CZ3 4.34Å; I170-W174 HydrophobicContact CG2-CD2 4.05Å; I170-W174 HydrophobicContact CG2-CE3 3.13Å; I170-W174 HydrophobicContact CG2-CH2 3.52Å; I170-W174 HydrophobicContact CG2-CZ2 4.2Å; I170-W174 HydrophobicContact CG2-CZ3 2.85Å; I170-W174 VanDerWaalsContact O-CE3 3.32Å; I170-W174 PolarHBondContact O-N 3.37Å; I170-W174 VanDerWaalsContact O-N 3.16Å; Y171-W174 PolarHBondContact O-N 3.48Å; F172-W174 VanDerWaalsContact C-N 3.34Å; F172-W174 PolarHBondContact O-N 3.19Å; W174-I176 VanDerWaalsContact C-N 3.32Å; W174-I176 PolarHBondContact O-N 3.33Å; W174-E177 PolarHBondContact O-N 2.89Å; W174-S178 VanDerWaalsContact O-CB 3.24Å; W174-S178 WeakPolarHBondContact O-CB 3.32Å; W174-S178 PolarHBondContact O-N 3.19Å; W174-F255 HydrophobicContact CB-CD2 4.01Å; W174-F255 HydrophobicContact CB-CE2 4.29Å; W174-F255 HydrophobicContact CD2-CD2 4.01Å; W174-F255 AromaticContact CD2-CE2 3.56Å; W174-F255 HydrophobicContact CD2-CE2 3.56Å; W174-F255 HydrophobicContact CD2-CZ 4.11Å; W174-F255 AromaticContact CE3-CD2 3.71Å; W174-F255 HydrophobicContact CE3-CD2 3.71Å; W174-F255 HydrophobicContact CE3-CE1 4.49Å; W174-F255 AromaticContact CE3-CE2 2.84Å; W174-F255 HydrophobicContact CE3-CE2 2.84Å; W174-F255 AromaticContact CE3-CZ 3.34Å; W174-F255 HydrophobicContact CE3-CZ 3.34Å; W174-F255 HydrophobicContact CG-CD2 4.23Å; W174-F255 HydrophobicContact CG-CE2 4.22Å; W174-F255 HydrophobicContact CH2-CE1 4.21Å; W174-F255 AromaticContact CH2-CE2 3.92Å; W174-F255 HydrophobicContact CH2-CE2 3.92Å; W174-F255 AromaticContact CH2-CZ 3.46Å; W174-F255 HydrophobicContact CH2-CZ 3.46Å; W174-F255 VanDerWaalsContact CH2-CZ 3.46Å; W174-F255 HydrophobicContact CZ2-CZ 4.37Å; W174-F255 HydrophobicContact CZ3-CD2 4.16Å; W174-F255 HydrophobicContact CZ3-CE1 4.01Å; W174-F255 AromaticContact CZ3-CE2 3.01Å; W174-F255 HydrophobicContact CZ3-CE2 3.01Å; W174-F255 AromaticContact CZ3-CZ 2.88Å; W174-F255 HydrophobicContact CZ3-CZ 2.88Å; W174-D256 PolarHBondContact NE1-O 3.33Å; W174-P257 HydrophobicContact CH2-CB 3.86Å; W174-P257 VanDerWaalsContact CZ2-CA 3.41Å; W174-P257 HydrophobicContact CZ2-CB 3.99Å; W174-L260 HydrophobicContact CH2-CB 3.36Å; W174-L260 HydrophobicContact CH2-CD2 3.58Å; W174-L260 HydrophobicContact CH2-CG 4.08Å; W174-L260 HydrophobicContact CZ2-CB 3.58Å; W174-L260 HydrophobicContact CZ3-CD2 4.18Å
175K77.6Confident75.7Confident48 Ų4883 Ų8321%0.20939%0.385CS..Hα-helixtrans-57.3-47.3169.9-173.8-175.4-178.9-175.40111D31 Y171 F172 K173 S178 L179 F253D31-K175 IonicContact OD1-NZ 2.77Å; D31-K175 PolarHBondContact OD1-NZ 2.9Å; D31-K175 WeakPolarHBondContact OD2-CE 3.39Å; D31-K175 IonicContact OD2-NZ 2.59Å; D31-K175 PolarHBondContact OD2-NZ 3.26Å; Y171-K175 HydrophobicContact CE1-CD 4.33Å; Y171-K175 WeakPolarHBondContact O-CB 3.37Å; Y171-K175 PolarHBondContact O-N 3.06Å; F172-K175 PolarHBondContact O-N 3.27Å; K173-K175 PolarHBondContact O-N 2.81Å; K175-S178 PolarHBondContact O-N 2.92Å; K175-L179 HydrophobicContact CG-CD1 4.49Å; K175-L179 VanDerWaalsContact O-CG 3.32Å; K175-L179 WeakPolarHBondContact O-CG 3.06Å; K175-L179 PolarHBondContact O-N 3.44Å; K175-F253 HydrophobicContact CB-CE2 4.36Å; K175-F253 HydrophobicContact CB-CZ 4.37Å; K175-F253 HydrophobicContact CG-CE2 4.38Å
176I76.4Confident73.8Confident74 Ų7491 Ų9138%0.37942%0.42SS..Hα-helixtrans-64.7-43.5176.8-62.7-62.7000111.5F172 K173 W174 S178 L179 N180F172-I176 HydrophobicContact CE1-CG1 4.17Å; F172-I176 HydrophobicContact CZ-CD1 4.4Å; F172-I176 HydrophobicContact CZ-CG1 4.29Å; F172-I176 PolarHBondContact O-N 3.32Å; K173-I176 PolarHBondContact O-N 2.82Å; W174-I176 VanDerWaalsContact C-N 3.32Å; W174-I176 PolarHBondContact O-N 3.33Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3.4Å; I176-L179 PolarHBondContact O-N 3.25Å; I176-N180 WeakPolarHBondContact O-CB 3.46Å; I176-N180 VanDerWaalsContact O-CG 3.29Å; I176-N180 PolarHBondContact O-N 2.97Å; I176-N180 PolarHBondContact O-ND2 2.92Å
177E76.8Confident72Confident58 Ų5888.7 Ų88.727%0.27141%0.408SS..Hα-helixtrans-64.2-38.7176.9-70.8179.4-172.600112.8K173 W174 N180 K181K173-E177 WeakPolarHBondContact CE-OE1 2.99Å; K173-E177 IonicContact NZ-OE1 3.95Å; K173-E177 PolarHBondContact O-N 2.88Å; K173-E177 VanDerWaalsContact O-N 3.1Å; W174-E177 PolarHBondContact O-N 2.89Å; E177-N180 PolarHBondContact O-N 3.44Å; E177-K181 WeakPolarHBondContact O-CB 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 3.32Å
178S72.3Confident70.1Confident15 Ų1587.4 Ų87.411%0.10541%0.414CS..Hα-helixtrans-62-47.2175.7-164.10000111.2W174 K175 I176 N180 K181 K182 I254W174-S178 VanDerWaalsContact O-CB 3.24Å; W174-S178 WeakPolarHBondContact O-CB 3.32Å; W174-S178 PolarHBondContact O-N 3.19Å; K175-S178 PolarHBondContact O-N 2.92Å; I176-S178 VanDerWaalsContact C-N 3.34Å; I176-S178 PolarHBondContact O-N 3.4Å; S178-N180 VanDerWaalsContact C-N 3.35Å; S178-N180 PolarHBondContact O-N 3.36Å; S178-K181 PolarHBondContact O-N 3.31Å; S178-K182 WeakPolarHBondContact O-CB 3.12Å; S178-K182 PolarHBondContact O-N 3.22Å; S178-I254 WeakPolarHBondContact CB-O 3.32Å; S178-I254 PolarHBondContact OG-N 2.87Å; S178-I254 PolarHBondContact OG-O 3.25Å
179L68.5Low68.2Low89 Ų8985.6 Ų85.647%0.46641%0.41SS..Hα-helixtrans-59.2-45.4174-71169.5000111.4K175 I176 K181 K182 L183K175-L179 HydrophobicContact CG-CD1 4.49Å; K175-L179 VanDerWaalsContact O-CG 3.32Å; K175-L179 WeakPolarHBondContact O-CG 3.06Å; K175-L179 PolarHBondContact O-N 3.44Å; I176-L179 PolarHBondContact O-N 3.25Å; L179-K181 PolarHBondContact O-N 3.29Å; L179-K182 WeakPolarHBondContact O-CB 3.39Å; L179-K182 PolarHBondContact O-N 2.95Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.95Å
180N67.8Low66.4Low75 Ų7586.9 Ų86.940%0.40142%0.418SS..Hα-helixtrans-63.2-39.7176.8-75.5-31.3000112.6I176 E177 S178 L183 K184I176-N180 WeakPolarHBondContact O-CB 3.46Å; I176-N180 VanDerWaalsContact O-CG 3.29Å; I176-N180 PolarHBondContact O-N 2.97Å; I176-N180 PolarHBondContact O-ND2 2.92Å; E177-N180 PolarHBondContact O-N 3.44Å; S178-N180 VanDerWaalsContact C-N 3.35Å; S178-N180 PolarHBondContact O-N 3.36Å; N180-L183 PolarHBondContact O-N 3.16Å; N180-K184 WeakPolarHBondContact O-CB 3.44Å; N180-K184 VanDerWaalsContact O-CG 3.32Å; N180-K184 WeakPolarHBondContact O-CG 3.44Å; N180-K184 PolarHBondContact O-N 3.32Å
181K66.6Low65Low76 Ų7695 Ų9533%0.3345%0.452SS..Hα-helixtrans-66-41.6174.4-78.3-179.4-179.7-1800111E177 S178 L179 L183 K184 K185 D256E177-K181 WeakPolarHBondContact O-CB 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.41Å; E177-K181 PolarHBondContact O-N 3.32Å; S178-K181 PolarHBondContact O-N 3.31Å; L179-K181 PolarHBondContact O-N 3.29Å; K181-L183 VanDerWaalsContact C-N 3.33Å; K181-L183 PolarHBondContact O-N 3.36Å; K181-K184 PolarHBondContact O-N 3.42Å; K181-K185 VanDerWaalsContact O-CB 3.3Å; K181-K185 WeakPolarHBondContact O-CB 3.43Å; K181-K185 PolarHBondContact O-N 2.96Å; K181-D256 IonicContact NZ-OD2 3.15Å; K181-D256 PolarHBondContact NZ-OD2 2.83Å
182K63Low63.7Low103 Ų103101.2 Ų101.245%0.44848%0.48SS..Hα-helixtrans-58.8-45.4175-169.2173.5-178.8176.20110.9S178 L179 K184 D243S178-K182 WeakPolarHBondContact O-CB 3.12Å; S178-K182 PolarHBondContact O-N 3.22Å; L179-K182 WeakPolarHBondContact O-CB 3.39Å; L179-K182 PolarHBondContact O-N 2.95Å; K182-K184 PolarHBondContact O-N 3.28Å; K182-D243 WeakPolarHBondContact CE-OD2 3.29Å
183L58Low62.8Low145 Ų145102.8 Ų102.876%0.75949%0.489SS*.Hα-helixtrans-65-34.4175.5-69.3169.4000113.4L179 N180 K181L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.95Å; N180-L183 PolarHBondContact O-N 3.16Å; K181-L183 VanDerWaalsContact C-N 3.33Å; K181-L183 PolarHBondContact O-N 3.36Å
184K57.5Low62Low175 Ų175101.9 Ų101.976%0.76149%0.491SS*.Hα-helixtrans-85.4-19.2-178.7-74.7-179.3-179.5-177.80114.5N180 K181 K182 K186N180-K184 WeakPolarHBondContact O-CB 3.44Å; N180-K184 VanDerWaalsContact O-CG 3.32Å; N180-K184 WeakPolarHBondContact O-CG 3.44Å; N180-K184 PolarHBondContact O-N 3.32Å; K181-K184 PolarHBondContact O-N 3.42Å; K182-K184 PolarHBondContact O-N 3.28Å; K184-K186 PolarHBondContact O-N 2.94Å
185K56.6Low61.3Low119 Ų119103.1 Ų103.152%0.51750%0.497SS..  trans-75.174.6-175.7-160.2171.8-174174.70110.3K181 I187K181-K185 VanDerWaalsContact O-CB 3.3Å; K181-K185 WeakPolarHBondContact O-CB 3.43Å; K181-K185 PolarHBondContact O-N 2.96Å; K185-I187 PolarHBondContact O-N 3.14Å
186K50.9Low61Low170 Ų170105.9 Ų105.974%0.73951%0.509SS*.  trans-57.9105.5154.3-95.1179.1176.6175.70106.8K184 S188K184-K186 PolarHBondContact O-N 2.94Å; K186-S188 PolarHBondContact O-N 3.02Å
187I50.7Low60.6Low37 Ų37102.5 Ų102.519%0.1949%0.492CS..  trans-65.1126.8-178.6-64168.8000108.8K185 L189 Y238K185-I187 PolarHBondContact O-N 3.14Å; I187-L189 PolarHBondContact O-N 3.45Å; I187-Y238 HydrophobicContact CB-CE1 4.37Å; I187-Y238 HydrophobicContact CD1-CE1 4.23Å; I187-Y238 HydrophobicContact CG2-CE1 4Å
188S45.5Very low60.1Low103 Ų103100.9 Ų100.972%0.7249%0.486SS*.  trans-76.5108.9167.5650000109K186 H190K186-S188 PolarHBondContact O-N 3.02Å; S188-H190 PolarHBondContact O-N 3.39Å
189L44.4Very low59.9Low93 Ų93102.6 Ų102.649%0.48750%0.498SS..  trans-64.5106.3171.4-88.5100.9000109.4I187I187-L189 PolarHBondContact O-N 3.45Å
190H46.9Very low59.9Low179 Ų179105.1 Ų105.183%0.82951%0.506SS*.  trans-145.66.6161.6-87.5-51.5000117S188S188-H190 PolarHBondContact O-N 3.39Å
191K54.2Low59.8Low190 Ų190102.3 Ų102.383%0.82649%0.491SS*.SBendtrans-1400.6-174.8-76-169.5175.8179.70119.5
192F55.6Low60.1Low154 Ų154103.1 Ų103.168%0.67550%0.499SS*.  trans-129.1119.9-179.9-64.1-78.4000111.9L230F192-L230 HydrophobicContact CB-CD1 3.7Å
193Q65.1Low60.5Low155 Ų155101.1 Ų101.172%0.72450%0.497SS*.SBendtrans-90.3-25.4174.2-69.8178.1-8.700111.8N229 L230Q193-N229 PolarHBondContact O-OD1 2.9Å; Q193-L230 PolarHBondContact O-N 2.82Å
194T65.9Low61.2Low74 Ų7498.3 Ų98.345%0.45449%0.489SS..EExtended strand (participates in β ladder)trans-135.4150.1-177.955.10000111.4V227 Y228T194-V227 HydrophobicContact CG2-CG1 4.12Å; T194-Y228 CarbonylContact C-O 3.55Å; T194-Y228 VanDerWaalsContact CA-O 3.23Å; T194-Y228 WeakPolarHBondContact CA-O 3.13Å
195F67.2Low61.7Low33 Ų3391 Ų9115%0.14546%0.459CS..EExtended strand (participates in β ladder)trans-121.3137.1174.3178.3-89000108.9I197 V227 Y228 L230 L241 S245F195-I197 HydrophobicContact CD1-CG1 4.29Å; F195-I197 HydrophobicContact CE1-CG1 3.76Å; F195-V227 CarbonylContact O-C 3.44Å; F195-V227 WeakPolarHBondContact O-CA 3.45Å; F195-Y228 PolarHBondContact N-O 2.95Å; F195-Y228 PolarHBondContact O-N 3.06Å; F195-L230 HydrophobicContact CB-CD1 4.06Å; F195-L230 HydrophobicContact CB-CD2 3.43Å; F195-L230 VanDerWaalsContact CB-CD2 3.43Å; F195-L230 HydrophobicContact CB-CG 3.8Å; F195-L230 HydrophobicContact CG-CD2 4.38Å; F195-L241 HydrophobicContact CB-CD2 4.11Å; F195-L241 HydrophobicContact CD1-CD1 3.93Å; F195-L241 HydrophobicContact CD1-CD2 3.48Å; F195-L241 VanDerWaalsContact CD1-CD2 3.48Å; F195-L241 HydrophobicContact CD1-CG 3.76Å; F195-L241 HydrophobicContact CD2-CD2 4.43Å; F195-L241 HydrophobicContact CD2-CG 4.45Å; F195-L241 HydrophobicContact CE1-CD1 3.67Å; F195-L241 HydrophobicContact CE1-CD2 4.09Å; F195-L241 HydrophobicContact CE1-CG 3.83Å; F195-L241 HydrophobicContact CG-CD2 3.72Å; F195-L241 HydrophobicContact CG-CG 4.12Å; F195-L241 HydrophobicContact CZ-CD1 4.33Å; F195-L241 HydrophobicContact CZ-CG 4.28Å; F195-S245 WeakPolarHBondContact CE2-OG 3.1Å; F195-S245 WeakPolarHBondContact CZ-OG 3.28Å
196K70.7Confident62.5Low106 Ų10686.4 Ų86.446%0.46144%0.439SS..EExtended strand (participates in β ladder)trans-112.3126.1-179.2-61.8-169.2167.7-163.80110.4P198 E225 I226 V227K196-P198 WeakPolarHBondContact O-CD 3.35Å; K196-E225 IonicContact NZ-OE2 2.62Å; K196-E225 PolarHBondContact NZ-OE2 3.45Å; K196-I226 CarbonylContact C-O 3.47Å; K196-I226 WeakPolarHBondContact CA-O 3.37Å; K196-V227 HydrophobicContact CG-CG1 4.44Å; K196-V227 HydrophobicContact CG-CG2 4.14Å
197I68Low63.6Low3 Ų383.9 Ų83.92%0.01543%0.429CS..EExtended strand (participates in β ladder)trans-87.4113163.9-59.9-176.6000107.2F195 L201 R206 I209 L210 I226 Y228F195-I197 HydrophobicContact CD1-CG1 4.29Å; F195-I197 HydrophobicContact CE1-CG1 3.76Å; I197-L201 HydrophobicContact CG2-CD1 3.81Å; I197-R206 HydrophobicContact CG2-CG 3.88Å; I197-I209 HydrophobicContact CD1-CG2 4.22Å; I197-L210 HydrophobicContact CD1-CD2 4.24Å; I197-I226 HydrophobicContact CB-CB 4.18Å; I197-I226 PolarHBondContact N-O 3.41Å; I197-I226 PolarHBondContact O-N 2.84Å; I197-Y228 HydrophobicContact CD1-CD2 4.12Å; I197-Y228 HydrophobicContact CD1-CE2 3.59Å; I197-Y228 HydrophobicContact CG1-CD2 4.26Å; I197-Y228 HydrophobicContact CG1-CE2 4.13Å
198P66.4Low64.7Low24 Ų2485.4 Ų85.416%0.15644%0.438CS..  trans-63.2141.5-178.1-21.933.5000112.4K196 F200 L201K196-P198 WeakPolarHBondContact O-CD 3.35Å; P198-F200 HydrophobicContact CB-CD1 3.35Å; P198-F200 HydrophobicContact CB-CE1 3.06Å; P198-F200 HydrophobicContact CB-CE2 4.3Å; P198-F200 HydrophobicContact CB-CG 4.12Å; P198-F200 HydrophobicContact CB-CZ 3.59Å; P198-F200 HydrophobicContact CG-CD1 4.4Å; P198-F200 HydrophobicContact CG-CE1 3.64Å; P198-F200 HydrophobicContact CG-CZ 3.79Å; P198-F200 PolarHBondContact O-N 2.85Å; P198-F200 VanDerWaalsContact O-N 3.16Å; P198-L201 PolarHBondContact O-N 3.08Å
199S68.4Low65.9Low52 Ų5280.6 Ų80.636%0.36440%0.404SS..THydrogen-bonded Turntrans-69.8-7.218057.80000114.1R206S199-R206 PolarHBondContact O-NH2 3.19Å
200F68.2Low67.3Low142 Ų14276.6 Ų76.662%0.62338%0.383SS*.THydrogen-bonded Turntrans-81.6-16.9174.365.2-105000113.3P198 N202 L249P198-F200 HydrophobicContact CB-CD1 3.35Å; P198-F200 HydrophobicContact CB-CE1 3.06Å; P198-F200 HydrophobicContact CB-CE2 4.3Å; P198-F200 HydrophobicContact CB-CG 4.12Å; P198-F200 HydrophobicContact CB-CZ 3.59Å; P198-F200 HydrophobicContact CG-CD1 4.4Å; P198-F200 HydrophobicContact CG-CE1 3.64Å; P198-F200 HydrophobicContact CG-CZ 3.79Å; P198-F200 PolarHBondContact O-N 2.85Å; P198-F200 VanDerWaalsContact O-N 3.16Å; F200-N202 PolarHBondContact O-N 3.28Å; F200-L249 HydrophobicContact CE2-CD2 3.26Å; F200-L249 HydrophobicContact CZ-CD2 3.29Å
201L66.5Low68.6Low15 Ų1571.5 Ų71.58%0.07937%0.368CS..SBendtrans-64.9135.1173-68.8175.5000109I197 P198 T205 R206 I209 E248 L249I197-L201 HydrophobicContact CG2-CD1 3.81Å; P198-L201 PolarHBondContact O-N 3.08Å; L201-T205 HydrophobicContact CB-CG2 4.26Å; L201-T205 HydrophobicContact CD1-CG2 4.37Å; L201-T205 HydrophobicContact CD2-CG2 4.06Å; L201-T205 HydrophobicContact CG-CG2 4.47Å; L201-R206 HydrophobicContact CB-CG 3.97Å; L201-R206 PolarHBondContact O-NE 3.04Å; L201-R206 PolarHBondContact O-NH2 2.81Å; L201-I209 HydrophobicContact CD1-CD1 4.09Å; L201-E248 HydrophobicContact CD2-CB 4.43Å; L201-L249 HydrophobicContact CD2-CD2 3.99Å
202N71.9Confident69.3Low94 Ų9466.3 Ų66.350%0.50335%0.346SS..  trans-66.4162.2179.972.254.7000111.4F200 C204 T205 R206F200-N202 PolarHBondContact O-N 3.28Å; N202-C204 VanDerWaalsContact C-N 3.3Å; N202-C204 PolarHBondContact O-N 2.71Å; N202-C204 WeakPolarHBondContact OD1-CB 3.41Å; N202-C204 PolarHBondContact OD1-N 3.05Å; N202-C204 VanDerWaalsContact OD1-N 3.09Å; N202-T205 PolarHBondContact ND2-OG1 3.22Å; N202-T205 PolarHBondContact O-N 2.99Å; N202-T205 PolarHBondContact OD1-N 3.13Å; N202-T205 PolarHBondContact OD1-OG1 3Å; N202-R206 WeakPolarHBondContact O-CG 3.45Å; N202-R206 PolarHBondContact O-N 3.45Å
203S71.5Confident70.1Confident60 Ų6059 Ų5942%0.4231%0.314SS..Hα-helixtrans-59.7-38.1-175.854.20000113.3R206 Q207S203-R206 PolarHBondContact O-N 3.02Å; S203-Q207 WeakPolarHBondContact O-CB 3.36Å; S203-Q207 WeakPolarHBondContact O-CG 3.44Å; S203-Q207 PolarHBondContact O-N 3.41Å
204C72.3Confident70.3Confident86 Ų8658 Ų5858%0.58131%0.314SS*.Hα-helixtrans-64.7-47.9179.3-175.70000111.3N202 R206 Q207 N208N202-C204 VanDerWaalsContact C-N 3.3Å; N202-C204 PolarHBondContact O-N 2.71Å; N202-C204 WeakPolarHBondContact OD1-CB 3.41Å; N202-C204 PolarHBondContact OD1-N 3.05Å; N202-C204 VanDerWaalsContact OD1-N 3.09Å; C204-R206 PolarHBondContact O-N 3.39Å; C204-Q207 PolarHBondContact O-N 3.49Å; C204-N208 WeakPolarHBondContact O-CB 3.37Å; C204-N208 PolarHBondContact O-N 3.16Å
205T69.7Low70.5Confident21 Ų2156.7 Ų56.713%0.12930%0.304CS..Hα-helixtrans-57.1-47.8174.6-67.30000111.1L201 N202 Q207 N208 I209 E248L201-T205 HydrophobicContact CB-CG2 4.26Å; L201-T205 HydrophobicContact CD1-CG2 4.37Å; L201-T205 HydrophobicContact CD2-CG2 4.06Å; L201-T205 HydrophobicContact CG-CG2 4.47Å; N202-T205 PolarHBondContact ND2-OG1 3.22Å; N202-T205 PolarHBondContact O-N 2.99Å; N202-T205 PolarHBondContact OD1-N 3.13Å; N202-T205 PolarHBondContact OD1-OG1 3Å; T205-Q207 PolarHBondContact O-N 2.82Å; T205-N208 PolarHBondContact O-N 3.39Å; T205-I209 HydrophobicContact CG2-CD1 3.95Å; T205-I209 HydrophobicContact CG2-CG1 4.45Å; T205-I209 WeakPolarHBondContact O-CG1 3.36Å; T205-I209 PolarHBondContact O-N 3.25Å; T205-E248 HydrophobicContact CG2-CB 4.35Å; T205-E248 VanDerWaalsContact CG2-CD 3.47Å; T205-E248 HydrophobicContact CG2-CG 4.01Å; T205-E248 WeakPolarHBondContact CG2-OE2 3.36Å
206R72.4Confident70.3Confident24 Ų2461.9 Ų61.99%0.09133%0.333CS..Hα-helixtrans-60.6-46.6178.1-65-172.3-142.5155.110.7111.5I197 S199 L201 N202 S203 C204 N208 I209 L210 Y222I197-R206 HydrophobicContact CG2-CG 3.88Å; S199-R206 PolarHBondContact O-NH2 3.19Å; L201-R206 HydrophobicContact CB-CG 3.97Å; L201-R206 PolarHBondContact O-NE 3.04Å; L201-R206 PolarHBondContact O-NH2 2.81Å; N202-R206 WeakPolarHBondContact O-CG 3.45Å; N202-R206 PolarHBondContact O-N 3.45Å; S203-R206 PolarHBondContact O-N 3.02Å; C204-R206 PolarHBondContact O-N 3.39Å; R206-N208 VanDerWaalsContact C-N 3.29Å; R206-N208 PolarHBondContact O-N 2.91Å; R206-I209 PolarHBondContact O-N 3Å; R206-L210 WeakPolarHBondContact O-CB 3.49Å; R206-L210 WeakPolarHBondContact O-CD1 3.49Å; R206-L210 WeakPolarHBondContact O-CG 3.37Å; R206-L210 PolarHBondContact O-N 3.17Å; R206-Y222 PolarHBondContact NH1-O 2.79Å; R206-Y222 PolarHBondContact NH2-O 3Å
207Q74.9Confident69.8Low116 Ų11659.9 Ų59.954%0.54233%0.328SS..Hα-helixtrans-61.7-37.6177.9-75.8178.3-10.100112.4S203 C204 T205 L210 S211S203-Q207 WeakPolarHBondContact O-CB 3.36Å; S203-Q207 WeakPolarHBondContact O-CG 3.44Å; S203-Q207 PolarHBondContact O-N 3.41Å; C204-Q207 PolarHBondContact O-N 3.49Å; T205-Q207 PolarHBondContact O-N 2.82Å; Q207-L210 PolarHBondContact O-N 3.1Å; Q207-S211 WeakPolarHBondContact O-CB 3.45Å; Q207-S211 PolarHBondContact O-N 2.96Å; Q207-S211 PolarHBondContact O-OG 2.81Å
208N72.9Confident69.2Low70 Ų7068 Ų6837%0.37437%0.365SS..Hα-helixtrans-67.7-43.1176.9-166.113.2000112C204 T205 R206 L210 S211 Q212C204-N208 WeakPolarHBondContact O-CB 3.37Å; C204-N208 PolarHBondContact O-N 3.16Å; T205-N208 PolarHBondContact O-N 3.39Å; R206-N208 VanDerWaalsContact C-N 3.29Å; R206-N208 PolarHBondContact O-N 2.91Å; N208-L210 VanDerWaalsContact C-N 3.28Å; N208-L210 PolarHBondContact O-N 3.3Å; N208-S211 PolarHBondContact O-N 2.72Å; N208-S211 PolarHBondContact O-OG 2.87Å; N208-Q212 WeakPolarHBondContact O-CB 3.23Å; N208-Q212 VanDerWaalsContact O-CG 3.25Å; N208-Q212 WeakPolarHBondContact O-CG 3.03Å; N208-Q212 PolarHBondContact O-N 3.29Å; N208-Q212 VanDerWaalsContact O-N 3.11Å; N208-Q212 PolarHBondContact OD1-NE2 3.48Å
209I71Confident68.7Low2 Ų273 Ų731%0.0139%0.39CS..Hα-helixtrans-58.5-45.4173.3-65.5168.7000110I197 L201 T205 R206 Q212 I213 L241 L244 E248I197-I209 HydrophobicContact CD1-CG2 4.22Å; L201-I209 HydrophobicContact CD1-CD1 4.09Å; T205-I209 HydrophobicContact CG2-CD1 3.95Å; T205-I209 HydrophobicContact CG2-CG1 4.45Å; T205-I209 WeakPolarHBondContact O-CG1 3.36Å; T205-I209 PolarHBondContact O-N 3.25Å; R206-I209 PolarHBondContact O-N 3Å; I209-Q212 PolarHBondContact O-N 3.39Å; I209-I213 HydrophobicContact CG2-CD1 4.18Å; I209-I213 VanDerWaalsContact O-CG1 3.27Å; I209-I213 WeakPolarHBondContact O-CG1 3.02Å; I209-I213 PolarHBondContact O-N 3.25Å; I209-L241 HydrophobicContact CG2-CD1 3.76Å; I209-L244 HydrophobicContact CG1-CB 4.33Å; I209-L244 HydrophobicContact CG2-CB 4.45Å; I209-L244 HydrophobicContact CG2-CD1 4.38Å; I209-E248 HydrophobicContact CD1-CG 4Å; I209-E248 HydrophobicContact CG1-CG 4.23Å
210L74.1Confident68Low8 Ų876.4 Ų76.44%0.04241%0.405CS..Hα-helixtrans-66.9-41.3-177.4-70.1172000113.4I197 R206 Q207 N208 Q212 I213 N214 L215 N217 Y228I197-L210 HydrophobicContact CD1-CD2 4.24Å; R206-L210 WeakPolarHBondContact O-CB 3.49Å; R206-L210 WeakPolarHBondContact O-CD1 3.49Å; R206-L210 WeakPolarHBondContact O-CG 3.37Å; R206-L210 PolarHBondContact O-N 3.17Å; Q207-L210 PolarHBondContact O-N 3.1Å; N208-L210 VanDerWaalsContact C-N 3.28Å; N208-L210 PolarHBondContact O-N 3.3Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-I213 HydrophobicContact CD2-CD1 4.25Å; L210-I213 WeakPolarHBondContact O-CG1 3.4Å; L210-I213 PolarHBondContact O-N 3.05Å; L210-N214 PolarHBondContact O-N 2.82Å; L210-L215 HydrophobicContact CD2-CB 4.11Å; L210-L215 PolarHBondContact O-N 3.44Å; L210-N217 HydrophobicContact CD1-CB 3.77Å; L210-N217 WeakPolarHBondContact CD1-ND2 3.26Å; L210-Y228 HydrophobicContact CD2-CE1 4.5Å; L210-Y228 HydrophobicContact CD2-CE2 3.97Å; L210-Y228 WeakPolarHBondContact CD2-OH 3.36Å
211S74.3Confident67.3Low73 Ų7374.8 Ų74.851%0.5140%0.402SS..Hα-helixtrans-65.4-3917766.50000111.3Q207 N208 I213 N214Q207-S211 WeakPolarHBondContact O-CB 3.45Å; Q207-S211 PolarHBondContact O-N 2.96Å; Q207-S211 PolarHBondContact O-OG 2.81Å; N208-S211 PolarHBondContact O-N 2.72Å; N208-S211 PolarHBondContact O-OG 2.87Å; S211-I213 PolarHBondContact O-N 3Å; S211-N214 PolarHBondContact O-N 2.83Å
212Q69.4Low66.8Low80 Ų8080.4 Ų80.437%0.37442%0.424SS..Hα-helixtrans-69.1-32.1180-71.1-176.135.500113N208 I209 L210 L240 L244N208-Q212 WeakPolarHBondContact O-CB 3.23Å; N208-Q212 VanDerWaalsContact O-CG 3.25Å; N208-Q212 WeakPolarHBondContact O-CG 3.03Å; N208-Q212 PolarHBondContact O-N 3.29Å; N208-Q212 VanDerWaalsContact O-N 3.11Å; N208-Q212 PolarHBondContact OD1-NE2 3.48Å; I209-Q212 PolarHBondContact O-N 3.39Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; Q212-L240 HydrophobicContact CB-CD2 4.31Å; Q212-L240 WeakPolarHBondContact O-CD2 3Å; Q212-L244 HydrophobicContact CB-CD1 3.73Å
213I70.7Confident66Low0 Ų080.4 Ų80.40%043%0.431CS..THydrogen-bonded Turntrans-93.78.8178.868.5-168.8000113.8I209 L210 S211 L215 N237 L240 L241 L244I209-I213 HydrophobicContact CG2-CD1 4.18Å; I209-I213 VanDerWaalsContact O-CG1 3.27Å; I209-I213 WeakPolarHBondContact O-CG1 3.02Å; I209-I213 PolarHBondContact O-N 3.25Å; L210-I213 HydrophobicContact CD2-CD1 4.25Å; L210-I213 WeakPolarHBondContact O-CG1 3.4Å; L210-I213 PolarHBondContact O-N 3.05Å; S211-I213 PolarHBondContact O-N 3Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 HydrophobicContact CD1-CB 4.25Å; I213-L215 HydrophobicContact CD1-CD1 3.61Å; I213-L215 HydrophobicContact CD1-CG 4.13Å; I213-L215 HydrophobicContact CG1-CB 3.9Å; I213-L215 HydrophobicContact CG1-CD1 3.93Å; I213-L215 HydrophobicContact CG1-CG 3.87Å; I213-L215 PolarHBondContact O-N 3Å; I213-N237 PolarHBondContact O-ND2 3.42Å; I213-L240 HydrophobicContact CG2-CB 4.35Å; I213-L240 HydrophobicContact CG2-CD2 4.1Å; I213-L240 HydrophobicContact CG2-CG 4.05Å; I213-L241 HydrophobicContact CD1-CD1 3.75Å; I213-L241 HydrophobicContact CG2-CB 4.12Å; I213-L244 HydrophobicContact CG2-CD1 4.05Å
214N71.1Confident65.5Low135 Ų13582 Ų8272%0.72243%0.434SS*.THydrogen-bonded Turntrans52.138.9-176.8-71.1-25.3000113.8L210 S211L210-N214 PolarHBondContact O-N 2.82Å; S211-N214 PolarHBondContact O-N 2.83Å
215L69Low65.2Low47 Ų4781.9 Ų81.925%0.24643%0.425CS..  trans-107.6120.7174.1-73.5179.5000110.3L210 I213 Y228 L233L210-L215 HydrophobicContact CD2-CB 4.11Å; L210-L215 PolarHBondContact O-N 3.44Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 HydrophobicContact CD1-CB 4.25Å; I213-L215 HydrophobicContact CD1-CD1 3.61Å; I213-L215 HydrophobicContact CD1-CG 4.13Å; I213-L215 HydrophobicContact CG1-CB 3.9Å; I213-L215 HydrophobicContact CG1-CD1 3.93Å; I213-L215 HydrophobicContact CG1-CG 3.87Å; I213-L215 PolarHBondContact O-N 3Å; L215-Y228 HydrophobicContact CD1-CD1 3.73Å; L215-Y228 HydrophobicContact CD1-CE1 3.82Å; L215-Y228 HydrophobicContact CD1-CG 4.29Å; L215-L233 HydrophobicContact CD1-CD2 3.78Å; L215-L233 HydrophobicContact CD2-CD2 4.34Å; L215-L233 HydrophobicContact CG-CD2 4.2Å
216N62.2Low65Low142 Ų14282.2 Ų82.276%0.75943%0.425SS*.  trans-81.5123.8172.8-74.2-15.7000110H218N216-H218 PolarHBondContact O-N 2.95Å
217N61.8Low64.8Low64 Ų6484.8 Ų84.834%0.34244%0.443SS..  trans-78.4108.5169.6-127.30000109.2L210 N219 Y228L210-N217 HydrophobicContact CD1-CB 3.77Å; L210-N217 WeakPolarHBondContact CD1-ND2 3.26Å; N217-N219 VanDerWaalsContact C-N 3.34Å; N217-Y228 PolarHBondContact OD1-OH 3.33Å
218H55.6Low64.5Low172 Ų17280.8 Ų80.880%0.79642%0.424SS*.  trans-83.5-9.6170.5-86.1-65.7000113.3N216N216-H218 PolarHBondContact O-N 2.95Å
219N54.8Low64.4Low129 Ų12981 Ų8169%0.6942%0.424SS*.  trans-112.2104.8-175.7-74.3-13.5000112N217 N221N217-N219 VanDerWaalsContact C-N 3.34Å; N219-N221 PolarHBondContact O-N 3.45Å
220N53.8Low64.3Low124 Ų12481.4 Ų81.466%0.66343%0.427SS*.  trans-72.921.1177.5-82.1-19.4000114.8Y222N220-Y222 HydrophobicContact CB-CE2 4.37Å; N220-Y222 WeakPolarHBondContact O-CD2 3.41Å; N220-Y222 VanDerWaalsContact O-CE2 3.31Å; N220-Y222 WeakPolarHBondContact O-CE2 3.47Å; N220-Y222 PolarHBondContact O-N 2.83Å; N220-Y222 VanDerWaalsContact O-N 3.14Å
221N54.6Low64.1Low108 Ų10885.7 Ų85.758%0.57845%0.454SS*.  trans-86.590.6178-100.2-5.8000110.9N219 S223 I224N219-N221 PolarHBondContact O-N 3.45Å; N221-S223 PolarHBondContact O-N 2.04Å; N221-I224 HydrophobicContact CB-CD1 3.92Å; N221-I224 HydrophobicContact CB-CG1 4.3Å; N221-I224 PolarHBondContact O-N 3.2Å
222Y54.3Low64Low134 Ų13488.8 Ų88.853%0.52546%0.464SS..THydrogen-bonded Turntrans-61.7-11.8-176.6-67-82.5000115.2R206 N220R206-Y222 PolarHBondContact NH1-O 2.79Å; R206-Y222 PolarHBondContact NH2-O 3Å; N220-Y222 HydrophobicContact CB-CE2 4.37Å; N220-Y222 WeakPolarHBondContact O-CD2 3.41Å; N220-Y222 VanDerWaalsContact O-CE2 3.31Å; N220-Y222 WeakPolarHBondContact O-CE2 3.47Å; N220-Y222 PolarHBondContact O-N 2.83Å; N220-Y222 VanDerWaalsContact O-N 3.14Å
223S55.6Low64Low93 Ų9386 Ų8665%0.6545%0.452SS*.THydrogen-bonded Turntrans-96.9-11.6-175.450.30000115.4N221N221-S223 PolarHBondContact O-N 2.04Å
224I60.9Low64.2Low94 Ų9488.8 Ų88.848%0.48247%0.472SS..SBendtrans-101.8137.1-170.4-54.2175.9000110.1N221 I226N221-I224 HydrophobicContact CB-CD1 3.92Å; N221-I224 HydrophobicContact CB-CG1 4.3Å; N221-I224 PolarHBondContact O-N 3.2Å; I224-I226 PolarHBondContact O-N 3.09Å
225E65.6Low64.2Low84 Ų8487 Ų8739%0.39346%0.457SS..  trans-53.7123.5166.1-71.7-170146.600109.3K196 V227K196-E225 IonicContact NZ-OE2 2.62Å; K196-E225 PolarHBondContact NZ-OE2 3.45Å; E225-V227 PolarHBondContact O-N 3.07Å
226I66.7Low64.4Low28 Ų2892.5 Ų92.514%0.14448%0.476CS..EExtended strand (participates in β ladder)trans-87113.6-178-45.7169.2000108.1K196 I197 I224 Y228K196-I226 CarbonylContact C-O 3.47Å; K196-I226 WeakPolarHBondContact CA-O 3.37Å; I197-I226 HydrophobicContact CB-CB 4.18Å; I197-I226 PolarHBondContact N-O 3.41Å; I197-I226 PolarHBondContact O-N 2.84Å; I224-I226 PolarHBondContact O-N 3.09Å; I226-Y228 HydrophobicContact CB-CE2 3.92Å; I226-Y228 HydrophobicContact CG2-CD2 4.02Å; I226-Y228 HydrophobicContact CG2-CE1 4.32Å; I226-Y228 HydrophobicContact CG2-CE2 3.25Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.42Å; I226-Y228 WeakPolarHBondContact CG2-OH 3.4Å
227V67Low64.8Low77 Ų7787 Ų8747%0.46745%0.447SS..EExtended strand (participates in β ladder)trans-98.8117.2-179.9-170.50000109.5T194 F195 K196 E225T194-V227 HydrophobicContact CG2-CG1 4.12Å; F195-V227 CarbonylContact O-C 3.44Å; F195-V227 WeakPolarHBondContact O-CA 3.45Å; K196-V227 HydrophobicContact CG-CG1 4.44Å; K196-V227 HydrophobicContact CG-CG2 4.14Å; E225-V227 PolarHBondContact O-N 3.07Å
228Y69.1Low65.1Low33 Ų3385.2 Ų85.213%0.12944%0.435CS..EExtended strand (participates in β ladder)trans-103.9136.1175-70.9-77.2000110.9T194 F195 I197 L210 L215 N217 I226 L230T194-Y228 CarbonylContact C-O 3.55Å; T194-Y228 VanDerWaalsContact CA-O 3.23Å; T194-Y228 WeakPolarHBondContact CA-O 3.13Å; F195-Y228 PolarHBondContact N-O 2.95Å; F195-Y228 PolarHBondContact O-N 3.06Å; I197-Y228 HydrophobicContact CD1-CD2 4.12Å; I197-Y228 HydrophobicContact CD1-CE2 3.59Å; I197-Y228 HydrophobicContact CG1-CD2 4.26Å; I197-Y228 HydrophobicContact CG1-CE2 4.13Å; L210-Y228 HydrophobicContact CD2-CE1 4.5Å; L210-Y228 HydrophobicContact CD2-CE2 3.97Å; L210-Y228 WeakPolarHBondContact CD2-OH 3.36Å; L215-Y228 HydrophobicContact CD1-CD1 3.73Å; L215-Y228 HydrophobicContact CD1-CE1 3.82Å; L215-Y228 HydrophobicContact CD1-CG 4.29Å; N217-Y228 PolarHBondContact OD1-OH 3.33Å; I226-Y228 HydrophobicContact CB-CE2 3.92Å; I226-Y228 HydrophobicContact CG2-CD2 4.02Å; I226-Y228 HydrophobicContact CG2-CE1 4.32Å; I226-Y228 HydrophobicContact CG2-CE2 3.25Å; I226-Y228 VanDerWaalsContact CG2-CZ 3.42Å; I226-Y228 WeakPolarHBondContact CG2-OH 3.4Å; Y228-L230 PolarHBondContact O-N 2.86Å
229N70Confident65.8Low73 Ų7379.8 Ų79.839%0.3941%0.41SS..EExtended strand (participates in β ladder)trans-78.6118.5171.1-172.5-8.6000109.7Q193 T231 N232Q193-N229 PolarHBondContact O-OD1 2.9Å; N229-T231 PolarHBondContact ND2-OG1 3.36Å; N229-T231 PolarHBondContact O-N 3.37Å; N229-T231 WeakPolarHBondContact OD1-CG2 3.47Å; N229-T231 PolarHBondContact OD1-N 3.27Å; N229-T231 PolarHBondContact OD1-OG1 3.14Å; N229-N232 PolarHBondContact O-N 2.59Å
230L69Low66.4Low11 Ų1175.6 Ų75.66%0.05839%0.388CS..G310 helixtrans-72.1-17.9-177.5-68.2176.4000112.9F192 Q193 F195 Y228 N232 L233 Y238 L241F192-L230 HydrophobicContact CB-CD1 3.7Å; Q193-L230 PolarHBondContact O-N 2.82Å; F195-L230 HydrophobicContact CB-CD1 4.06Å; F195-L230 HydrophobicContact CB-CD2 3.43Å; F195-L230 VanDerWaalsContact CB-CD2 3.43Å; F195-L230 HydrophobicContact CB-CG 3.8Å; F195-L230 HydrophobicContact CG-CD2 4.38Å; Y228-L230 PolarHBondContact O-N 2.86Å; L230-N232 PolarHBondContact O-N 3.03Å; L230-L233 HydrophobicContact CD2-CD1 3.73Å; L230-L233 PolarHBondContact O-N 3.46Å; L230-Y238 HydrophobicContact CD1-CD2 4.25Å; L230-Y238 HydrophobicContact CD1-CE2 3.77Å; L230-Y238 HydrophobicContact CD2-CD2 3.59Å; L230-Y238 HydrophobicContact CD2-CE2 3.94Å; L230-Y238 HydrophobicContact CG-CD2 4.36Å; L230-Y238 HydrophobicContact CG-CE2 4.37Å; L230-L241 HydrophobicContact CD2-CD2 4.24Å
231T71.7Confident67.2Low99 Ų9969.8 Ų69.861%0.60736%0.356SS*.G310 helixtrans-67.4-21.5176.464.20000113N229N229-T231 PolarHBondContact ND2-OG1 3.36Å; N229-T231 PolarHBondContact O-N 3.37Å; N229-T231 WeakPolarHBondContact OD1-CG2 3.47Å; N229-T231 PolarHBondContact OD1-N 3.27Å; N229-T231 PolarHBondContact OD1-OG1 3.14Å
232N71.3Confident67.7Low137 Ų13765.6 Ų65.673%0.73333%0.334SS*.G310 helixtrans-97.9-3.3-176.2-64.2-1.9000112.7N229 L230N229-N232 PolarHBondContact O-N 2.59Å; L230-N232 PolarHBondContact O-N 3.03Å
233L69.6Low68.2Low21 Ų2162 Ų6211%0.1132%0.324CS..SBendtrans-91.6135.6177.4-78.7162.8000109.8L215 L230 N237 L241L215-L233 HydrophobicContact CD1-CD2 3.78Å; L215-L233 HydrophobicContact CD2-CD2 4.34Å; L215-L233 HydrophobicContact CG-CD2 4.2Å; L230-L233 HydrophobicContact CD2-CD1 3.73Å; L230-L233 PolarHBondContact O-N 3.46Å; L233-N237 HydrophobicContact CD2-CB 3.72Å; L233-L241 HydrophobicContact CD1-CD2 3.66Å
234S75Confident68.7Low60 Ų6058.3 Ų58.342%0.4230%0.297SS..  trans-57.7150.6167.174.20000109.3Y236 N237 Y238S234-Y236 PolarHBondContact O-N 3.34Å; S234-Y236 VanDerWaalsContact O-N 3.15Å; S234-N237 PolarHBondContact O-N 3.33Å; S234-N237 WeakPolarHBondContact OG-CB 3.37Å; S234-N237 VanDerWaalsContact OG-CG 3.31Å; S234-N237 PolarHBondContact OG-N 2.77Å; S234-N237 VanDerWaalsContact OG-N 3.11Å; S234-Y238 PolarHBondContact O-N 3.13Å
235K71.8Confident68.8Low97 Ų9754.6 Ų54.642%0.42228%0.279SS..Hα-helixtrans-52.4-38.9176.7-178.2176.1177.7171.90112.1Y238 E239K235-Y238 PolarHBondContact O-N 3.27Å; K235-E239 WeakPolarHBondContact CE-OE1 3.48Å; K235-E239 WeakPolarHBondContact O-CG 3.26Å; K235-E239 PolarHBondContact O-N 2.81Å
236Y71.2Confident68.7Low162 Ų16254.9 Ų54.964%0.63528%0.277SS*.Hα-helixtrans-62.4-50.5176177.1-98.3000112.2S234 Y238 E239 L240S234-Y236 PolarHBondContact O-N 3.34Å; S234-Y236 VanDerWaalsContact O-N 3.15Å; Y236-Y238 VanDerWaalsContact C-N 3.27Å; Y236-Y238 PolarHBondContact O-N 2.96Å; Y236-E239 PolarHBondContact O-N 3.16Å; Y236-L240 HydrophobicContact CE1-CD2 4.38Å; Y236-L240 WeakPolarHBondContact O-CB 3.46Å; Y236-L240 PolarHBondContact O-N 3.5Å
237N71.1Confident68.4Low27 Ų2757.4 Ų57.414%0.14429%0.29CS..Hα-helixtrans-66.4-30.8179.2-69.4-3.5000112.1I213 L233 S234 L241I213-N237 PolarHBondContact O-ND2 3.42Å; L233-N237 HydrophobicContact CD2-CB 3.72Å; S234-N237 PolarHBondContact O-N 3.33Å; S234-N237 WeakPolarHBondContact OG-CB 3.37Å; S234-N237 VanDerWaalsContact OG-CG 3.31Å; S234-N237 PolarHBondContact OG-N 2.77Å; S234-N237 VanDerWaalsContact OG-N 3.11Å; N237-L241 WeakPolarHBondContact O-CB 3.43Å; N237-L241 PolarHBondContact O-N 3.47Å
238Y69.3Low68.2Low26 Ų2657 Ų5710%0.10228%0.283CS..Hα-helixtrans-65-47.8172.5169.8-103.2000112.3I187 L230 S234 K235 Y236 L240 L241 N242I187-Y238 HydrophobicContact CB-CE1 4.37Å; I187-Y238 HydrophobicContact CD1-CE1 4.23Å; I187-Y238 HydrophobicContact CG2-CE1 4Å; L230-Y238 HydrophobicContact CD1-CD2 4.25Å; L230-Y238 HydrophobicContact CD1-CE2 3.77Å; L230-Y238 HydrophobicContact CD2-CD2 3.59Å; L230-Y238 HydrophobicContact CD2-CE2 3.94Å; L230-Y238 HydrophobicContact CG-CD2 4.36Å; L230-Y238 HydrophobicContact CG-CE2 4.37Å; S234-Y238 PolarHBondContact O-N 3.13Å; K235-Y238 PolarHBondContact O-N 3.27Å; Y236-Y238 VanDerWaalsContact C-N 3.27Å; Y236-Y238 PolarHBondContact O-N 2.96Å; Y238-L240 VanDerWaalsContact C-N 3.29Å; Y238-L240 PolarHBondContact O-N 3.35Å; Y238-L241 PolarHBondContact O-N 3.24Å; Y238-N242 WeakPolarHBondContact O-CB 3.32Å; Y238-N242 PolarHBondContact O-N 3.5Å
239E68.6Low68.1Low58 Ų5858.4 Ų58.427%0.27129%0.293SS..Hα-helixtrans-59.1-44.3176-74.4173179.400110.2K235 Y236 N242 D243K235-E239 WeakPolarHBondContact CE-OE1 3.48Å; K235-E239 WeakPolarHBondContact O-CG 3.26Å; K235-E239 PolarHBondContact O-N 2.81Å; Y236-E239 PolarHBondContact O-N 3.16Å; E239-N242 PolarHBondContact O-N 2.76Å; E239-D243 WeakPolarHBondContact O-CB 3.25Å; E239-D243 PolarHBondContact O-N 2.82Å
240L68.7Low68.7Low42 Ų4257.8 Ų57.822%0.2229%0.287CS..Hα-helixtrans-63.7-44.9176.5-174.359.5000113.1Q212 I213 Y236 Y238 N242 D243 L244Q212-L240 HydrophobicContact CB-CD2 4.31Å; Q212-L240 WeakPolarHBondContact O-CD2 3Å; I213-L240 HydrophobicContact CG2-CB 4.35Å; I213-L240 HydrophobicContact CG2-CD2 4.1Å; I213-L240 HydrophobicContact CG2-CG 4.05Å; Y236-L240 HydrophobicContact CE1-CD2 4.38Å; Y236-L240 WeakPolarHBondContact O-CB 3.46Å; Y236-L240 PolarHBondContact O-N 3.5Å; Y238-L240 VanDerWaalsContact C-N 3.29Å; Y238-L240 PolarHBondContact O-N 3.35Å; L240-N242 PolarHBondContact O-N 3.05Å; L240-D243 PolarHBondContact O-N 3.38Å; L240-L244 HydrophobicContact CD1-CD1 4.04Å; L240-L244 HydrophobicContact CD1-CG 4.21Å; L240-L244 HydrophobicContact CG-CD1 3.82Å; L240-L244 HydrophobicContact CG-CG 4.42Å; L240-L244 WeakPolarHBondContact O-CB 3.18Å; L240-L244 VanDerWaalsContact O-CG 3.25Å; L240-L244 WeakPolarHBondContact O-CG 3.3Å; L240-L244 PolarHBondContact O-N 2.83Å
241L69.6Low69.5Low1 Ų158.9 Ų58.91%0.00529%0.293CS..Hα-helixtrans-62.2-42.1177.8179.959.3000112.1F195 I209 I213 L230 L233 N237 Y238 D243 S245F195-L241 HydrophobicContact CB-CD2 4.11Å; F195-L241 HydrophobicContact CD1-CD1 3.93Å; F195-L241 HydrophobicContact CD1-CD2 3.48Å; F195-L241 VanDerWaalsContact CD1-CD2 3.48Å; F195-L241 HydrophobicContact CD1-CG 3.76Å; F195-L241 HydrophobicContact CD2-CD2 4.43Å; F195-L241 HydrophobicContact CD2-CG 4.45Å; F195-L241 HydrophobicContact CE1-CD1 3.67Å; F195-L241 HydrophobicContact CE1-CD2 4.09Å; F195-L241 HydrophobicContact CE1-CG 3.83Å; F195-L241 HydrophobicContact CG-CD2 3.72Å; F195-L241 HydrophobicContact CG-CG 4.12Å; F195-L241 HydrophobicContact CZ-CD1 4.33Å; F195-L241 HydrophobicContact CZ-CG 4.28Å; I209-L241 HydrophobicContact CG2-CD1 3.76Å; I213-L241 HydrophobicContact CD1-CD1 3.75Å; I213-L241 HydrophobicContact CG2-CB 4.12Å; L230-L241 HydrophobicContact CD2-CD2 4.24Å; L233-L241 HydrophobicContact CD1-CD2 3.66Å; N237-L241 WeakPolarHBondContact O-CB 3.43Å; N237-L241 PolarHBondContact O-N 3.47Å; Y238-L241 PolarHBondContact O-N 3.24Å; L241-D243 VanDerWaalsContact C-N 3.35Å; L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.47Å; L241-S245 PolarHBondContact O-N 3.3Å; L241-S245 PolarHBondContact O-OG 3.01Å
242N65.9Low70.1Confident21 Ų2156.2 Ų56.211%0.11227%0.273CS..Hα-helixtrans-68.2-38179-157.814.9000111.2Y238 E239 L240 S245 R246Y238-N242 WeakPolarHBondContact O-CB 3.32Å; Y238-N242 PolarHBondContact O-N 3.5Å; E239-N242 PolarHBondContact O-N 2.76Å; L240-N242 PolarHBondContact O-N 3.05Å; N242-S245 WeakPolarHBondContact CA-OG 3.06Å; N242-S245 PolarHBondContact O-OG 2.89Å; N242-S245 VanDerWaalsContact O-OG 3.1Å; N242-R246 WeakPolarHBondContact O-CB 3.33Å; N242-R246 WeakPolarHBondContact O-CD 3.45Å; N242-R246 VanDerWaalsContact O-CG 3.26Å; N242-R246 WeakPolarHBondContact O-CG 3.35Å; N242-R246 PolarHBondContact O-N 2.81Å; N242-R246 PolarHBondContact OD1-NE 2.76Å
243D65.5Low70.8Confident57 Ų5750 Ų5031%0.30524%0.24SC..Hα-helixtrans-68.3-44.6174.8-87.64000112K182 E239 L240 L241 N247K182-D243 WeakPolarHBondContact CE-OD2 3.29Å; E239-D243 WeakPolarHBondContact O-CB 3.25Å; E239-D243 PolarHBondContact O-N 2.82Å; L240-D243 PolarHBondContact O-N 3.38Å; L241-D243 VanDerWaalsContact C-N 3.35Å; D243-N247 WeakPolarHBondContact O-CB 3.42Å; D243-N247 PolarHBondContact O-N 2.85Å; D243-N247 PolarHBondContact O-ND2 2.88Å; D243-N247 VanDerWaalsContact O-ND2 3.12Å
244L64.3Low71.5Confident17 Ų1750.6 Ų50.69%0.08924%0.243CC..Hα-helixtrans-63.2-50.6177.6-73.3167.4000111.6I209 Q212 I213 L240 R246 N247 E248I209-L244 HydrophobicContact CG1-CB 4.33Å; I209-L244 HydrophobicContact CG2-CB 4.45Å; I209-L244 HydrophobicContact CG2-CD1 4.38Å; Q212-L244 HydrophobicContact CB-CD1 3.73Å; I213-L244 HydrophobicContact CG2-CD1 4.05Å; L240-L244 HydrophobicContact CD1-CD1 4.04Å; L240-L244 HydrophobicContact CD1-CG 4.21Å; L240-L244 HydrophobicContact CG-CD1 3.82Å; L240-L244 HydrophobicContact CG-CG 4.42Å; L240-L244 WeakPolarHBondContact O-CB 3.18Å; L240-L244 VanDerWaalsContact O-CG 3.25Å; L240-L244 WeakPolarHBondContact O-CG 3.3Å; L240-L244 PolarHBondContact O-N 2.83Å; L244-R246 VanDerWaalsContact C-N 3.27Å; L244-R246 PolarHBondContact O-N 3.41Å; L244-N247 PolarHBondContact O-N 3.41Å; L244-E248 WeakPolarHBondContact O-CB 3.32Å; L244-E248 WeakPolarHBondContact O-CG 3.46Å; L244-E248 PolarHBondContact O-N 3.33Å
245S63.5Low72.2Confident15 Ų1547.8 Ų47.811%0.10522%0.223CC..Hα-helixtrans-61.5-34.4-178.757.30000114.2F195 L241 N242 L249F195-S245 WeakPolarHBondContact CE2-OG 3.1Å; F195-S245 WeakPolarHBondContact CZ-OG 3.28Å; L241-S245 VanDerWaalsContact O-CB 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.47Å; L241-S245 PolarHBondContact O-N 3.3Å; L241-S245 PolarHBondContact O-OG 3.01Å; N242-S245 WeakPolarHBondContact CA-OG 3.06Å; N242-S245 PolarHBondContact O-OG 2.89Å; N242-S245 VanDerWaalsContact O-OG 3.1Å; S245-L249 WeakPolarHBondContact O-CG 3.38Å; S245-L249 PolarHBondContact O-N 3.47Å
246R63.2Low73Confident90 Ų9044.6 Ų44.634%0.3421%0.21SC..Hα-helixtrans-68.4-52.7173.3-74.2173.2177.6177.6-3.8110.5N242 L244 E248 L249 F250N242-R246 WeakPolarHBondContact O-CB 3.33Å; N242-R246 WeakPolarHBondContact O-CD 3.45Å; N242-R246 VanDerWaalsContact O-CG 3.26Å; N242-R246 WeakPolarHBondContact O-CG 3.35Å; N242-R246 PolarHBondContact O-N 2.81Å; N242-R246 PolarHBondContact OD1-NE 2.76Å; L244-R246 VanDerWaalsContact C-N 3.27Å; L244-R246 PolarHBondContact O-N 3.41Å; R246-E248 PolarHBondContact O-N 3.02Å; R246-L249 PolarHBondContact O-N 3.37Å; R246-F250 CarbonylContact C-O 3.58Å; R246-F250 HydrophobicContact CB-CE2 4.15Å; R246-F250 HydrophobicContact CB-CZ 4.35Å; R246-F250 HydrophobicContact CG-CE2 4.21Å; R246-F250 HydrophobicContact CG-CZ 4.1Å; R246-F250 CarbonylContact O-C 3.57Å; R246-F250 PolarHBondContact O-N 3.24Å
247N61.8Low73.9Confident81 Ų8136.9 Ų36.943%0.43318%0.18SC..Hα-helixtrans-62.4-26.7-177.3-64-20.7000113.1D243 L244D243-N247 WeakPolarHBondContact O-CB 3.42Å; D243-N247 PolarHBondContact O-N 2.85Å; D243-N247 PolarHBondContact O-ND2 2.88Å; D243-N247 VanDerWaalsContact O-ND2 3.12Å; L244-N247 PolarHBondContact O-N 3.41Å
248E62Low74.6Confident68 Ų6838 Ų3832%0.31819%0.185SC..Hα-helixtrans-79.2-20.7177.7-69.5-72.6165.100113.3L201 T205 I209 L244 R246L201-E248 HydrophobicContact CD2-CB 4.43Å; T205-E248 HydrophobicContact CG2-CB 4.35Å; T205-E248 VanDerWaalsContact CG2-CD 3.47Å; T205-E248 HydrophobicContact CG2-CG 4.01Å; T205-E248 WeakPolarHBondContact CG2-OE2 3.36Å; I209-E248 HydrophobicContact CD1-CG 4Å; I209-E248 HydrophobicContact CG1-CG 4.23Å; L244-E248 WeakPolarHBondContact O-CB 3.32Å; L244-E248 WeakPolarHBondContact O-CG 3.46Å; L244-E248 PolarHBondContact O-N 3.33Å; R246-E248 PolarHBondContact O-N 3.02Å
249L66.7Low75.2Confident64 Ų6439.2 Ų39.234%0.33519%0.194SC..Hα-helixtrans-100.9-36.8178.2-64.3-178.8000112.6F200 L201 S245 R246F200-L249 HydrophobicContact CE2-CD2 3.26Å; F200-L249 HydrophobicContact CZ-CD2 3.29Å; L201-L249 HydrophobicContact CD2-CD2 3.99Å; S245-L249 WeakPolarHBondContact O-CG 3.38Å; S245-L249 PolarHBondContact O-N 3.47Å; R246-L249 PolarHBondContact O-N 3.37Å
250F82.4Confident76.1Confident59 Ų5936.7 Ų36.726%0.25918%0.182SC..  trans-161.4150.6-176.846.8-94.1000111.6V5 V7 R246 H252V5-F250 HydrophobicContact CB-CB 3.97Å; V5-F250 HydrophobicContact CG1-CB 3.87Å; V5-F250 CarbonylContact O-C 3.59Å; V5-F250 VanDerWaalsContact O-CA 3.23Å; V5-F250 WeakPolarHBondContact O-CA 3.16Å; V5-F250 VanDerWaalsContact O-CB 3.32Å; V5-F250 WeakPolarHBondContact O-CB 3.47Å; V7-F250 HydrophobicContact CB-CD2 4.12Å; V7-F250 HydrophobicContact CG2-CB 3.96Å; V7-F250 HydrophobicContact CG2-CD2 3.74Å; V7-F250 HydrophobicContact CG2-CE2 4.39Å; V7-F250 HydrophobicContact CG2-CG 3.82Å; R246-F250 CarbonylContact C-O 3.58Å; R246-F250 HydrophobicContact CB-CE2 4.15Å; R246-F250 HydrophobicContact CB-CZ 4.35Å; R246-F250 HydrophobicContact CG-CE2 4.21Å; R246-F250 HydrophobicContact CG-CZ 4.1Å; R246-F250 CarbonylContact O-C 3.57Å; R246-F250 PolarHBondContact O-N 3.24Å; F250-H252 HydrophobicContact CD2-CB 3.91Å; F250-H252 HydrophobicContact CE2-CB 3.96Å; F250-H252 PolarHBondContact O-N 3.49Å
251I85.8Confident77Confident35 Ų3538.5 Ų38.518%0.17919%0.186CC..EExtended strand (participates in β ladder)trans-82.2107.7170.5-62.9161.9000107.4Y4 V5 F6 V7 I32Y4-I251 HydrophobicContact CD1-CD1 3.76Å; Y4-I251 HydrophobicContact CE1-CD1 4.5Å; Y4-I251 HydrophobicContact CG-CD1 4.31Å; V5-I251 PolarHBondContact O-N 2.61Å; F6-I251 WeakPolarHBondContact CA-O 3.32Å; F6-I251 HydrophobicContact CD1-CB 3.63Å; F6-I251 HydrophobicContact CD1-CD1 4.09Å; F6-I251 HydrophobicContact CD1-CG1 4.47Å; F6-I251 HydrophobicContact CD1-CG2 3.69Å; F6-I251 HydrophobicContact CE1-CB 3.8Å; F6-I251 HydrophobicContact CE1-CD1 3.39Å; F6-I251 HydrophobicContact CE1-CG1 4.19Å; F6-I251 HydrophobicContact CE1-CG2 3.76Å; F6-I251 HydrophobicContact CG-CB 4.47Å; F6-I251 HydrophobicContact CZ-CD1 3.67Å; V7-I251 PolarHBondContact N-O 3.41Å; I32-I251 HydrophobicContact CD1-CD1 4.13Å; I32-I251 HydrophobicContact CD1-CG2 3.58Å; I32-I251 HydrophobicContact CG2-CD1 4.36Å
252H84.1Confident77.8Confident43 Ų4345.5 Ų45.520%0.19922%0.217CC..EExtended strand (participates in β ladder)trans-94.8123.5-177.5-173.4-153.8000111.8V7 E9 F250V7-H252 PolarHBondContact O-CD2 3.16Å; E9-H252 VanDerWaalsContact CB-NE2 3.29Å; E9-H252 WeakPolarHBondContact CB-NE2 3.33Å; E9-H252 IonicContact OE2-CE1 2.81Å; E9-H252 PolarHBondContact OE2-CE1 3.05Å; E9-H252 IonicContact OE2-NE2 3.79Å; E9-H252 PolarHBondContact OE2-NE2 3.24Å; F250-H252 HydrophobicContact CD2-CB 3.91Å; F250-H252 HydrophobicContact CE2-CB 3.96Å; F250-H252 PolarHBondContact O-N 3.49Å
253F85.9Confident78.5Confident7 Ų749.4 Ų49.43%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-124.8120.7176.7-175.1-106.3000111.3V7 I8 E9 V24 H28 Y171 K175 F255V7-F253 PolarHBondContact O-N 2.68Å; I8-F253 CarbonylContact C-O 3.51Å; I8-F253 WeakPolarHBondContact CA-O 3.48Å; I8-F253 HydrophobicContact CD1-CB 3.85Å; I8-F253 HydrophobicContact CD1-CD1 4.39Å; I8-F253 HydrophobicContact CG2-CD1 4.33Å; E9-F253 PolarHBondContact N-O 3.06Å; V24-F253 HydrophobicContact CG1-CD1 3.77Å; V24-F253 HydrophobicContact CG1-CE1 3.53Å; H28-F253 AromaticContact CD2-CD2 3.99Å; H28-F253 AromaticContact CD2-CG 3.82Å; H28-F253 AromaticContact CE1-CD2 3.97Å; H28-F253 AromaticContact NE2-CD2 3.78Å; Y171-F253 HydrophobicContact CE2-CE1 4.38Å; Y171-F253 HydrophobicContact CE2-CZ 4.21Å; K175-F253 HydrophobicContact CB-CE2 4.36Å; K175-F253 HydrophobicContact CB-CZ 4.37Å; K175-F253 HydrophobicContact CG-CE2 4.38Å; F253-F255 HydrophobicContact CD1-CB 4.23Å; F253-F255 HydrophobicContact CE1-CB 4.04Å; F253-F255 HydrophobicContact CE1-CD2 4.04Å
254I86.1Confident79.1Confident33 Ų3347.8 Ų47.817%0.16922%0.224CC..EExtended strand (participates in β ladder)trans-93.3130.8177.3-58.9174.4000109.1E9 A11 S178E9-I254 HydrophobicContact CB-CG1 4.31Å; E9-I254 CarbonylContact O-C 3.44Å; E9-I254 WeakPolarHBondContact O-CA 3.11Å; A11-I254 HydrophobicContact CB-CG2 3.65Å; S178-I254 WeakPolarHBondContact CB-O 3.32Å; S178-I254 PolarHBondContact OG-N 2.87Å; S178-I254 PolarHBondContact OG-O 3.25Å
255F88Confident79.6Confident0 Ų052.8 Ų52.80%025%0.245CC..EExtended strand (participates in β ladder)trans-131.9120.6-172174.1-99.2000110.5I8 E9 Q10 A11 L20 L21 V24 W174 F253 P257I8-F255 HydrophobicContact CG2-CB 4.39Å; E9-F255 PolarHBondContact O-N 2.75Å; Q10-F255 CarbonylContact C-O 3.44Å; Q10-F255 WeakPolarHBondContact CA-O 3.3Å; A11-F255 PolarHBondContact N-O 2.79Å; L20-F255 HydrophobicContact CD1-CE1 4.4Å; L20-F255 HydrophobicContact CD1-CZ 3.91Å; L20-F255 HydrophobicContact CD2-CE1 3.55Å; L20-F255 HydrophobicContact CD2-CZ 3.8Å; L20-F255 HydrophobicContact CG-CE1 3.69Å; L20-F255 HydrophobicContact CG-CZ 3.72Å; L21-F255 HydrophobicContact CD2-CB 4.32Å; L21-F255 HydrophobicContact CD2-CD1 3.51Å; L21-F255 HydrophobicContact CD2-CE1 4.03Å; L21-F255 HydrophobicContact CD2-CG 4.25Å; V24-F255 HydrophobicContact CB-CD2 4.41Å; V24-F255 HydrophobicContact CB-CE2 4.16Å; V24-F255 HydrophobicContact CG1-CD2 3.76Å; V24-F255 HydrophobicContact CG1-CE2 3.94Å; V24-F255 HydrophobicContact CG1-CG 4.3Å; V24-F255 HydrophobicContact CG2-CD2 3.86Å; V24-F255 HydrophobicContact CG2-CE1 4.17Å; V24-F255 HydrophobicContact CG2-CE2 3.17Å; V24-F255 HydrophobicContact CG2-CG 4.49Å; V24-F255 HydrophobicContact CG2-CZ 3.37Å; W174-F255 HydrophobicContact CB-CD2 4.01Å; W174-F255 HydrophobicContact CB-CE2 4.29Å; W174-F255 HydrophobicContact CD2-CD2 4.01Å; W174-F255 AromaticContact CD2-CE2 3.56Å; W174-F255 HydrophobicContact CD2-CE2 3.56Å; W174-F255 HydrophobicContact CD2-CZ 4.11Å; W174-F255 AromaticContact CE3-CD2 3.71Å; W174-F255 HydrophobicContact CE3-CD2 3.71Å; W174-F255 HydrophobicContact CE3-CE1 4.49Å; W174-F255 AromaticContact CE3-CE2 2.84Å; W174-F255 HydrophobicContact CE3-CE2 2.84Å; W174-F255 AromaticContact CE3-CZ 3.34Å; W174-F255 HydrophobicContact CE3-CZ 3.34Å; W174-F255 HydrophobicContact CG-CD2 4.23Å; W174-F255 HydrophobicContact CG-CE2 4.22Å; W174-F255 HydrophobicContact CH2-CE1 4.21Å; W174-F255 AromaticContact CH2-CE2 3.92Å; W174-F255 HydrophobicContact CH2-CE2 3.92Å; W174-F255 AromaticContact CH2-CZ 3.46Å; W174-F255 HydrophobicContact CH2-CZ 3.46Å; W174-F255 VanDerWaalsContact CH2-CZ 3.46Å; W174-F255 HydrophobicContact CZ2-CZ 4.37Å; W174-F255 HydrophobicContact CZ3-CD2 4.16Å; W174-F255 HydrophobicContact CZ3-CE1 4.01Å; W174-F255 AromaticContact CZ3-CE2 3.01Å; W174-F255 HydrophobicContact CZ3-CE2 3.01Å; W174-F255 AromaticContact CZ3-CZ 2.88Å; W174-F255 HydrophobicContact CZ3-CZ 2.88Å; F253-F255 HydrophobicContact CD1-CB 4.23Å; F253-F255 HydrophobicContact CE1-CB 4.04Å; F253-F255 HydrophobicContact CE1-CD2 4.04Å; F255-P257 HydrophobicContact CD1-CB 4.07Å; F255-P257 HydrophobicContact CD1-CG 4.19Å; F255-P257 HydrophobicContact CE1-CB 3.47Å; F255-P257 VanDerWaalsContact CE1-CB 3.47Å; F255-P257 HydrophobicContact CE1-CG 3.96Å; F255-P257 HydrophobicContact CZ-CB 4.13Å; F255-P257 WeakPolarHBondContact O-CD 3.31Å
256D89.2Confident80.1Confident30 Ų3060 Ų6016%0.1628%0.279CS..  trans-110.4101.9-178.4-173.1-18.2000110.9A11 W174 K181 I258A11-D256 HydrophobicContact CB-CB 3.95Å; W174-D256 PolarHBondContact NE1-O 3.33Å; K181-D256 IonicContact NZ-OD2 3.15Å; K181-D256 PolarHBondContact NZ-OD2 2.83Å; D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.14Å; D256-I258 WeakPolarHBondContact OD1-CB 3.05Å; D256-I258 WeakPolarHBondContact OD1-CG2 3.41Å; D256-I258 PolarHBondContact OD1-N 3.42Å
257P89.3Confident80.4Confident0 Ų057.7 Ų57.70%027%0.273CS..  trans-91.819.3-17139.6-38.3000113.8Q10 L20 W103 W174 F255 D259 L260 Y261Q10-P257 HydrophobicContact CG-CG 3.86Å; L20-P257 HydrophobicContact CD2-CB 3.86Å; W103-P257 HydrophobicContact CH2-CB 3.82Å; W103-P257 HydrophobicContact CH2-CG 3.9Å; W103-P257 HydrophobicContact CZ3-CB 4.46Å; W103-P257 HydrophobicContact CZ3-CG 4.03Å; W174-P257 HydrophobicContact CH2-CB 3.86Å; W174-P257 VanDerWaalsContact CZ2-CA 3.41Å; W174-P257 HydrophobicContact CZ2-CB 3.99Å; F255-P257 HydrophobicContact CD1-CB 4.07Å; F255-P257 HydrophobicContact CD1-CG 4.19Å; F255-P257 HydrophobicContact CE1-CB 3.47Å; F255-P257 VanDerWaalsContact CE1-CB 3.47Å; F255-P257 HydrophobicContact CE1-CG 3.96Å; F255-P257 HydrophobicContact CZ-CB 4.13Å; F255-P257 WeakPolarHBondContact O-CD 3.31Å; P257-D259 PolarHBondContact O-N 3.06Å; P257-D259 VanDerWaalsContact O-N 3.16Å; P257-L260 PolarHBondContact O-N 3.15Å; P257-L260 VanDerWaalsContact O-N 3.09Å; P257-Y261 WeakPolarHBondContact O-CB 3.29Å; P257-Y261 PolarHBondContact O-N 3.4Å
258I86.5Confident80.6Confident51 Ų5154 Ų5426%0.26225%0.254SS..Hα-helixtrans-53.2-39.2-176-17063.1000113.1T14 D256 Y261 K262T14-I258 HydrophobicContact CG2-CB 4.44Å; T14-I258 HydrophobicContact CG2-CD1 3.44Å; T14-I258 VanDerWaalsContact CG2-CD1 3.44Å; D256-I258 VanDerWaalsContact C-N 3.26Å; D256-I258 PolarHBondContact O-N 3.14Å; D256-I258 WeakPolarHBondContact OD1-CB 3.05Å; D256-I258 WeakPolarHBondContact OD1-CG2 3.41Å; D256-I258 PolarHBondContact OD1-N 3.42Å; I258-Y261 PolarHBondContact O-N 3.24Å; I258-K262 VanDerWaalsContact O-CG 3.32Å; I258-K262 WeakPolarHBondContact O-CG 3.32Å; I258-K262 PolarHBondContact O-N 3.3Å
259D83.2Confident80.7Confident51 Ų5156.8 Ų56.827%0.27327%0.265SS..Hα-helixtrans-70.9-41.5-179.7-71.3-18.3000112.1K173 P257 Y261 K262 Q263K173-D259 IonicContact NZ-OD2 2.61Å; K173-D259 PolarHBondContact NZ-OD2 3.05Å; P257-D259 PolarHBondContact O-N 3.06Å; P257-D259 VanDerWaalsContact O-N 3.16Å; D259-Y261 VanDerWaalsContact C-N 3.34Å; D259-K262 PolarHBondContact O-N 3.05Å; D259-Q263 PolarHBondContact O-N 2.67Å
260L85.6Confident80.4Confident6 Ų654.4 Ų54.43%0.03125%0.253CS..Hα-helixtrans-66.4-41.4175-175.961.2000110.3L20 W103 L165 I170 W174 P257 K262 Q263 Y264 I267 L268L20-L260 HydrophobicContact CD1-CD2 3.86Å; L20-L260 HydrophobicContact CD2-CD2 3.85Å; W103-L260 HydrophobicContact CZ2-CG 4.5Å; L165-L260 HydrophobicContact CD2-CD2 4.45Å; I170-L260 HydrophobicContact CD1-CD1 4Å; W174-L260 HydrophobicContact CH2-CB 3.36Å; W174-L260 HydrophobicContact CH2-CD2 3.58Å; W174-L260 HydrophobicContact CH2-CG 4.08Å; W174-L260 HydrophobicContact CZ2-CB 3.58Å; W174-L260 HydrophobicContact CZ3-CD2 4.18Å; P257-L260 PolarHBondContact O-N 3.15Å; P257-L260 VanDerWaalsContact O-N 3.09Å; L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.32Å; L260-Q263 CarbonylContact O-C 3.59Å; L260-Q263 PolarHBondContact O-N 3.3Å; L260-Q263 VanDerWaalsContact O-N 3.07Å; L260-Y264 VanDerWaalsContact O-CA 3.27Å; L260-Y264 WeakPolarHBondContact O-CA 3.34Å; L260-Y264 VanDerWaalsContact O-CB 3.3Å; L260-Y264 WeakPolarHBondContact O-CB 3.36Å; L260-Y264 PolarHBondContact O-N 2.75Å; L260-I267 HydrophobicContact CD1-CG2 4.36Å; L260-L268 HydrophobicContact CD1-CD1 3.94Å; L260-L268 HydrophobicContact CD1-CD2 4.02Å; L260-L268 HydrophobicContact CD1-CG 3.97Å; L260-L268 HydrophobicContact CD2-CD1 3.9Å; L260-L268 HydrophobicContact CG-CD1 3.87Å; L260-L268 HydrophobicContact CG-CG 4.45Å
261Y88Confident79.5Confident79 Ų7956.7 Ų56.731%0.3127%0.267SS..Hα-helixtrans-62.9-34.3175.1-175.1-111.6000112.8T14 P15 W103 P257 I258 D259 Q263 Y264T14-Y261 HydrophobicContact CG2-CD1 3.45Å; T14-Y261 VanDerWaalsContact CG2-CD1 3.45Å; T14-Y261 HydrophobicContact CG2-CE1 4.24Å; T14-Y261 HydrophobicContact CG2-CG 3.63Å; P15-Y261 HydrophobicContact CG-CE2 4.12Å; W103-Y261 HydrophobicContact CB-CE2 4.21Å; W103-Y261 AromaticContact CD2-CD2 3.41Å; W103-Y261 HydrophobicContact CD2-CD2 3.41Å; W103-Y261 VanDerWaalsContact CD2-CD2 3.41Å; W103-Y261 AromaticContact CD2-CE2 3.85Å; W103-Y261 HydrophobicContact CD2-CE2 3.85Å; W103-Y261 AromaticContact CE2-CD2 3.62Å; W103-Y261 AromaticContact CE3-CD2 3.53Å; W103-Y261 HydrophobicContact CE3-CD2 3.53Å; W103-Y261 HydrophobicContact CE3-CE2 4.03Å; W103-Y261 HydrophobicContact CE3-CG 4.39Å; W103-Y261 AromaticContact CG-CD2 3.92Å; W103-Y261 HydrophobicContact CG-CD2 3.92Å; W103-Y261 AromaticContact CG-CE2 3.91Å; W103-Y261 HydrophobicContact CG-CE2 3.91Å; W103-Y261 HydrophobicContact CH2-CD2 4.02Å; W103-Y261 HydrophobicContact CH2-CG 4.32Å; W103-Y261 AromaticContact CZ2-CD2 3.94Å; W103-Y261 HydrophobicContact CZ2-CD2 3.94Å; W103-Y261 HydrophobicContact CZ2-CG 4.47Å; W103-Y261 AromaticContact CZ3-CD2 3.85Å; W103-Y261 HydrophobicContact CZ3-CD2 3.85Å; W103-Y261 HydrophobicContact CZ3-CG 4.3Å; P257-Y261 WeakPolarHBondContact O-CB 3.29Å; P257-Y261 PolarHBondContact O-N 3.4Å; I258-Y261 PolarHBondContact O-N 3.24Å; D259-Y261 VanDerWaalsContact C-N 3.34Å; Y261-Q263 PolarHBondContact O-N 3.43Å; Y261-Y264 AromaticContact CD2-CD1 3.98Å; Y261-Y264 HydrophobicContact CD2-CD1 3.98Å; Y261-Y264 HydrophobicContact CD2-CE1 4.25Å; Y261-Y264 HydrophobicContact CE2-CD1 4.2Å; Y261-Y264 AromaticContact CE2-CE1 3.99Å; Y261-Y264 HydrophobicContact CE2-CE1 3.99Å; Y261-Y264 VanDerWaalsContact O-CD1 3.23Å; Y261-Y264 WeakPolarHBondContact O-CD1 2.92Å
262K86.4Confident78.2Confident149 Ų14957.5 Ų57.565%0.64828%0.284SS*.Hα-helixtrans-65.6-28.5174.3-76.8170.1179.9172.50112.5I258 D259 L260I258-K262 VanDerWaalsContact O-CG 3.32Å; I258-K262 WeakPolarHBondContact O-CG 3.32Å; I258-K262 PolarHBondContact O-N 3.3Å; D259-K262 PolarHBondContact O-N 3.05Å; L260-K262 VanDerWaalsContact C-N 3.31Å; L260-K262 PolarHBondContact O-N 3.32Å
263Q81.7Confident77Confident102 Ų10262.2 Ų62.248%0.47731%0.31SS..Hα-helixtrans-115.64.9-171.3-59178.49.100113.2D259 L260 Y261 K265 M266 I267D259-Q263 PolarHBondContact O-N 2.67Å; L260-Q263 CarbonylContact O-C 3.59Å; L260-Q263 PolarHBondContact O-N 3.3Å; L260-Q263 VanDerWaalsContact O-N 3.07Å; Y261-Q263 PolarHBondContact O-N 3.43Å; Q263-K265 PolarHBondContact O-N 2.88Å; Q263-M266 WeakPolarHBondContact O-CA 3.49Å; Q263-M266 PolarHBondContact O-N 2.81Å; Q263-I267 HydrophobicContact CB-CD1 3.6Å; Q263-I267 HydrophobicContact CB-CG1 4.02Å; Q263-I267 PolarHBondContact O-N 3.45Å; Q263-I267 VanDerWaalsContact OE1-CD1 3.24Å
264Y77.6Confident75.9Confident24 Ų2466.6 Ų66.69%0.09433%0.334CS..Hα-helixtrans-62.5-35.5-16887.9-92.9000111.7W103 K146 L260 Y261 M266 I267 L268W103-Y264 AromaticContact CD1-CD2 3.63Å; W103-Y264 AromaticContact CD1-CE2 3.77Å; W103-Y264 AromaticContact CD1-CG 3.79Å; W103-Y264 AromaticContact NE1-CD1 3.91Å; W103-Y264 AromaticContact NE1-CD2 3.59Å; W103-Y264 AromaticContact NE1-CG 3.41Å; K146-Y264 PolarHBondContact NZ-OH 2.98Å; L260-Y264 VanDerWaalsContact O-CA 3.27Å; L260-Y264 WeakPolarHBondContact O-CA 3.34Å; L260-Y264 VanDerWaalsContact O-CB 3.3Å; L260-Y264 WeakPolarHBondContact O-CB 3.36Å; L260-Y264 PolarHBondContact O-N 2.75Å; Y261-Y264 AromaticContact CD2-CD1 3.98Å; Y261-Y264 HydrophobicContact CD2-CD1 3.98Å; Y261-Y264 HydrophobicContact CD2-CE1 4.25Å; Y261-Y264 HydrophobicContact CE2-CD1 4.2Å; Y261-Y264 AromaticContact CE2-CE1 3.99Å; Y261-Y264 HydrophobicContact CE2-CE1 3.99Å; Y261-Y264 VanDerWaalsContact O-CD1 3.23Å; Y261-Y264 WeakPolarHBondContact O-CD1 2.92Å; Y264-M266 PolarHBondContact O-N 3.26Å; Y264-I267 PolarHBondContact O-N 3.06Å; Y264-L268 CarbonylContact O-C 3.52Å; Y264-L268 VanDerWaalsContact O-CA 3.29Å; Y264-L268 WeakPolarHBondContact O-CA 3.16Å; Y264-L268 VanDerWaalsContact O-CB 3.3Å; Y264-L268 WeakPolarHBondContact O-CB 3.04Å; Y264-L268 PolarHBondContact O-N 3.19Å
265K75.2Confident75Confident122 Ų12268.2 Ų68.253%0.5335%0.345SS..Hα-helixtrans-66.8-14175.3-67.6-178.8-179.9176.20113.5Q263 K269Q263-K265 PolarHBondContact O-N 2.88Å; K265-K269 WeakPolarHBondContact O-CD 3.37Å; K265-K269 WeakPolarHBondContact O-CE 3.24Å; K265-K269 WeakPolarHBondContact O-CG 3.45Å; K265-K269 PolarHBondContact O-NZ 3.45Å
266M72.8Confident74.4Confident165 Ų16575.2 Ų75.281%0.81338%0.383SS*.Hα-helixtrans-104-37.7176-69.4176.562.300111.1Q263 Y264Q263-M266 WeakPolarHBondContact O-CA 3.49Å; Q263-M266 PolarHBondContact O-N 2.81Å; Y264-M266 PolarHBondContact O-N 3.26Å
267I70Confident73.8Confident43 Ų4377.9 Ų77.922%0.22139%0.394CS..Hα-helixtrans-92.3-41.5-172.4-59.5-178000111.6I164 L260 Q263 Y264 K269I164-I267 HydrophobicContact CD1-CG2 4.01Å; I164-I267 HydrophobicContact CG1-CG2 3.8Å; L260-I267 HydrophobicContact CD1-CG2 4.36Å; Q263-I267 HydrophobicContact CB-CD1 3.6Å; Q263-I267 HydrophobicContact CB-CG1 4.02Å; Q263-I267 PolarHBondContact O-N 3.45Å; Q263-I267 VanDerWaalsContact OE1-CD1 3.24Å; Y264-I267 PolarHBondContact O-N 3.06Å; I267-K269 PolarHBondContact O-N 3.39Å
268L67.1Low73.3Confident4 Ų478 Ų782%0.02140%0.395CS..SBendtrans-101.955.8-174.3-50.6-177.1000110.1T100 R101 I164 L260 Y264T100-L268 VanDerWaalsContact O-CD1 3.31Å; T100-L268 WeakPolarHBondContact O-CD1 3.36Å; T100-L268 WeakPolarHBondContact OG1-CD1 3.2Å; T100-L268 WeakPolarHBondContact OG1-CD2 3.31Å; R101-L268 HydrophobicContact CB-CB 4.08Å; I164-L268 HydrophobicContact CB-CD2 4.44Å; I164-L268 HydrophobicContact CG1-CD2 4.04Å; I164-L268 HydrophobicContact CG2-CD2 3.6Å; L260-L268 HydrophobicContact CD1-CD1 3.94Å; L260-L268 HydrophobicContact CD1-CD2 4.02Å; L260-L268 HydrophobicContact CD1-CG 3.97Å; L260-L268 HydrophobicContact CD2-CD1 3.9Å; L260-L268 HydrophobicContact CG-CD1 3.87Å; L260-L268 HydrophobicContact CG-CG 4.45Å; Y264-L268 CarbonylContact O-C 3.52Å; Y264-L268 VanDerWaalsContact O-CA 3.29Å; Y264-L268 WeakPolarHBondContact O-CA 3.16Å; Y264-L268 VanDerWaalsContact O-CB 3.3Å; Y264-L268 WeakPolarHBondContact O-CB 3.04Å; Y264-L268 PolarHBondContact O-N 3.19Å
269K63.2Low73.1Confident125 Ų12579.7 Ų79.754%0.54341%0.405SS..  trans-114.9125.9174-85.2-174.1171.9153.10110.2K265 I267 I271K265-K269 WeakPolarHBondContact O-CD 3.37Å; K265-K269 WeakPolarHBondContact O-CE 3.24Å; K265-K269 WeakPolarHBondContact O-CG 3.45Å; K265-K269 PolarHBondContact O-NZ 3.45Å; I267-K269 PolarHBondContact O-N 3.39Å; K269-I271 PolarHBondContact O-N 2.85Å
270P60.7Low73.2Confident15 Ų1582.8 Ų82.810%0.09741%0.413CS..  trans-53.4136.1160.314.3-26.3000110.8K153 N156 G272K153-P270 HydrophobicContact CB-CB 4.28Å; K153-P270 HydrophobicContact CB-CG 3.32Å; K153-P270 HydrophobicContact CD-CG 4.28Å; K153-P270 HydrophobicContact CG-CG 4.33Å; K153-P270 WeakPolarHBondContact O-CB 3.34Å; K153-P270 VanDerWaalsContact O-CG 3.23Å; K153-P270 WeakPolarHBondContact O-CG 3.29Å; N156-P270 HydrophobicContact CB-CB 3.69Å; N156-P270 VanDerWaalsContact O-CA 3.22Å; N156-P270 WeakPolarHBondContact O-CA 3.25Å; N156-P270 WeakPolarHBondContact O-CB 3.47Å; P270-G272 PolarHBondContact O-N 3.42Å
271I62.6Low73Confident107 Ų10784.6 Ų84.655%0.54942%0.419SS..SBendtrans-81.797.7-177.9-58.9-172.9000109.7N156 H159 K269N156-I271 VanDerWaalsContact CB-N 3.33Å; N156-I271 WeakPolarHBondContact CB-O 3.46Å; N156-I271 PolarHBondContact ND2-O 2.94Å; N156-I271 PolarHBondContact OD1-O 2.84Å; H159-I271 HydrophobicContact CB-CG1 4.45Å; H159-I271 WeakPolarHBondContact CD2-CD1 3.46Å; H159-I271 VanDerWaalsContact NE2-CD1 3.33Å; H159-I271 WeakPolarHBondContact NE2-CD1 3.23Å; K269-I271 PolarHBondContact O-N 2.85Å
272G59Low72.9Confident51 Ų5181.9 Ų81.953%0.52641%0.408SS..SBendtrans151.8172.2170.600000113.7P270P270-G272 PolarHBondContact O-N 3.42Å
273N58Low72.9Confident143 Ų14376.8 Ų76.877%0.76539%0.388SS*.  trans-85.7148.5170.8-71-13.7000109.5T275N273-T275 PolarHBondContact O-N 2.78Å
274N63.1Low73.2Confident99 Ų9975.3 Ų75.353%0.52938%0.381SS..  trans-56.2115170.2-69.6-11000108.3K153K153-N274 WeakPolarHBondContact CG-OD1 3.1Å
275T66.8Low73.7Confident66 Ų6674.3 Ų74.341%0.40538%0.377SS..  trans-94.5163.9176.7540000109.9N273 E277 S278N273-T275 PolarHBondContact O-N 2.78Å; T275-E277 PolarHBondContact O-N 3.24Å; T275-E277 VanDerWaalsContact O-N 3.1Å; T275-E277 WeakPolarHBondContact OG1-CB 3.26Å; T275-S278 VanDerWaalsContact O-CB 3.29Å; T275-S278 WeakPolarHBondContact O-CB 3.5Å; T275-S278 PolarHBondContact O-N 3.27Å
276D75.9Confident74.3Confident148 Ų14870.1 Ų70.179%0.79136%0.358SS*.Hα-helixtrans-54.4-28169.6-64.4-29.4000111.6L279 W280D276-L279 PolarHBondContact O-N 3.06Å; D276-W280 PolarHBondContact O-N 2.65Å
277E77.2Confident74.8Confident85 Ų8565 Ų6540%0.39735%0.347SS..Hα-helixtrans-61.4-41.6173.6-155.7-166.2160.500112.7R155 T275 L279 W280 W281R155-E277 IonicContact CZ-OE1 2.81Å; R155-E277 IonicContact NE-OE1 2.71Å; R155-E277 PolarHBondContact NE-OE1 3.19Å; R155-E277 IonicContact NE-OE2 3.21Å; R155-E277 IonicContact NH2-OE1 3.19Å; R155-E277 PolarHBondContact NH2-OE1 2.95Å; R155-E277 IonicContact NH2-OE2 3.44Å; T275-E277 PolarHBondContact O-N 3.24Å; T275-E277 VanDerWaalsContact O-N 3.1Å; T275-E277 WeakPolarHBondContact OG1-CB 3.26Å; E277-L279 VanDerWaalsContact C-N 3.3Å; E277-L279 PolarHBondContact O-N 3.31Å; E277-W280 PolarHBondContact O-N 3.29Å; E277-W281 PolarHBondContact O-N 3.27Å
278S78.5Confident75.4Confident3 Ų370.8 Ų70.82%0.02137%0.366CS..Hα-helixtrans-59.9-41.5175.7-870000112.2L152 T275 Y282L152-S278 WeakPolarHBondContact O-CB 3.49Å; L152-S278 PolarHBondContact O-OG 3.31Å; T275-S278 VanDerWaalsContact O-CB 3.29Å; T275-S278 WeakPolarHBondContact O-CB 3.5Å; T275-S278 PolarHBondContact O-N 3.27Å; S278-Y282 PolarHBondContact O-N 2.9Å
279L82.9Confident76.2Confident87 Ų8776.2 Ų76.246%0.45539%0.394SS..Hα-helixtrans-68.5-45.4177179.362.1000110.8L152 D276 E277 W281 Y282 L283L152-L279 HydrophobicContact CD2-CD1 4.32Å; D276-L279 PolarHBondContact O-N 3.06Å; E277-L279 VanDerWaalsContact C-N 3.3Å; E277-L279 PolarHBondContact O-N 3.31Å; L279-W281 VanDerWaalsContact C-N 3.29Å; L279-W281 PolarHBondContact O-N 2.99Å; L279-Y282 WeakPolarHBondContact O-CB 3.46Å; L279-Y282 PolarHBondContact O-N 2.91Å; L279-Y282 VanDerWaalsContact O-N 3.16Å; L279-L283 HydrophobicContact CD1-CD1 4.27Å; L279-L283 HydrophobicContact CD1-CG 4.2Å; L279-L283 HydrophobicContact CG-CD1 4.05Å; L279-L283 HydrophobicContact CG-CG 4.4Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.28Å; L279-L283 PolarHBondContact O-N 2.81Å
280W85.2Confident76.8Confident116 Ų11673.8 Ų73.844%0.43939%0.387SS..Hα-helixtrans-53.7-48.6175.7-17988.7000111.3D276 E277 Y282 L283 H284 I289D276-W280 PolarHBondContact O-N 2.65Å; E277-W280 PolarHBondContact O-N 3.29Å; W280-Y282 PolarHBondContact O-N 2.97Å; W280-L283 PolarHBondContact O-N 3.1Å; W280-H284 HydrophobicContact CD2-CB 4.46Å; W280-H284 HydrophobicContact CE3-CB 4.34Å; W280-H284 HydrophobicContact CH2-CB 4.17Å; W280-H284 AromaticContact CH2-CD2 3.85Å; W280-H284 AromaticContact CH2-CG 3.78Å; W280-H284 HydrophobicContact CZ2-CB 4.3Å; W280-H284 AromaticContact CZ2-CD2 3.92Å; W280-H284 HydrophobicContact CZ3-CB 4.19Å; W280-H284 VanDerWaalsContact O-CB 3.26Å; W280-H284 WeakPolarHBondContact O-CB 3.47Å; W280-H284 PolarHBondContact O-N 3.42Å; W280-I289 HydrophobicContact CD2-CD1 4.46Å; W280-I289 HydrophobicContact CG-CD1 3.95Å
281W81.4Confident77.7Confident44 Ų4476.9 Ų76.917%0.16740%0.402CS..Hα-helixtrans-66-36.6178.9-85.9106.4000113.8L118 F154 R155 E277 L279 F285L118-W281 HydrophobicContact CD2-CD2 4.22Å; L118-W281 HydrophobicContact CD2-CE3 4.32Å; L118-W281 HydrophobicContact CD2-CH2 3.48Å; L118-W281 VanDerWaalsContact CD2-CH2 3.48Å; L118-W281 HydrophobicContact CD2-CZ2 3.32Å; L118-W281 HydrophobicContact CD2-CZ3 3.98Å; F154-W281 HydrophobicContact CE1-CB 3.34Å; F154-W281 AromaticContact CE1-CG 3.97Å; F154-W281 HydrophobicContact CE1-CG 3.97Å; F154-W281 HydrophobicContact CZ-CB 3.34Å; F154-W281 AromaticContact CZ-CD2 3.88Å; F154-W281 HydrophobicContact CZ-CD2 3.88Å; F154-W281 HydrophobicContact CZ-CE3 4.26Å; F154-W281 AromaticContact CZ-CG 3.48Å; F154-W281 HydrophobicContact CZ-CG 3.48Å; F154-W281 VanDerWaalsContact CZ-CG 3.48Å; R155-W281 VanDerWaalsContact CD-CD1 3.44Å; E277-W281 PolarHBondContact O-N 3.27Å; L279-W281 VanDerWaalsContact C-N 3.29Å; L279-W281 PolarHBondContact O-N 2.99Å; W281-F285 WeakPolarHBondContact O-CB 3.24Å; W281-F285 PolarHBondContact O-N 2.86Å
282Y85.1Confident78.5Confident22 Ų2275.2 Ų75.29%0.08639%0.394CS..Hα-helixtrans-58.7-51.3172.5174.3-90000110.6F151 L152 S278 L279 W280 F285 Y286 W288F151-Y282 AromaticContact CD1-CD2 3.52Å; F151-Y282 HydrophobicContact CD1-CD2 3.52Å; F151-Y282 HydrophobicContact CD1-CE2 4.35Å; F151-Y282 HydrophobicContact CD1-CG 4.39Å; F151-Y282 AromaticContact CE1-CD2 3.93Å; F151-Y282 HydrophobicContact CE1-CD2 3.93Å; F151-Y282 HydrophobicContact CG-CD2 4.29Å; L152-Y282 HydrophobicContact CD2-CD2 4.15Å; L152-Y282 HydrophobicContact CD2-CG 3.85Å; L152-Y282 HydrophobicContact CG-CD2 4.32Å; L152-Y282 HydrophobicContact CG-CG 4.5Å; S278-Y282 PolarHBondContact O-N 2.9Å; L279-Y282 WeakPolarHBondContact O-CB 3.46Å; L279-Y282 PolarHBondContact O-N 2.91Å; L279-Y282 VanDerWaalsContact O-N 3.16Å; W280-Y282 PolarHBondContact O-N 2.97Å; Y282-F285 PolarHBondContact O-N 2.91Å; Y282-Y286 HydrophobicContact CD1-CD2 4.38Å; Y282-Y286 AromaticContact CD2-CD2 3.96Å; Y282-Y286 HydrophobicContact CD2-CD2 3.96Å; Y282-Y286 AromaticContact CD2-CE2 3.64Å; Y282-Y286 HydrophobicContact CD2-CE2 3.64Å; Y282-Y286 HydrophobicContact CE1-CD2 4.17Å; Y282-Y286 AromaticContact CE2-CD2 3.75Å; Y282-Y286 HydrophobicContact CE2-CD2 3.75Å; Y282-Y286 AromaticContact CE2-CE2 3.28Å; Y282-Y286 HydrophobicContact CE2-CE2 3.28Å; Y282-Y286 HydrophobicContact CG-CD2 4.27Å; Y282-Y286 HydrophobicContact CG-CE2 4.39Å; Y282-Y286 AromaticContact CZ-CD2 3.83Å; Y282-Y286 AromaticContact CZ-CE2 3.76Å; Y282-Y286 VanDerWaalsContact O-CD2 3.25Å; Y282-Y286 WeakPolarHBondContact O-CD2 3.48Å; Y282-Y286 PolarHBondContact O-N 2.86Å; Y282-Y286 VanDerWaalsContact O-N 3.14Å; Y282-W288 HydrophobicContact CE1-CH2 4.19Å; Y282-W288 AromaticContact CE1-CZ3 3.89Å; Y282-W288 HydrophobicContact CE1-CZ3 3.89Å
283L87.8Confident79.7Confident41 Ų4176.6 Ų76.622%0.21539%0.386CS..Hα-helixtrans-62.7-46.6179.5-62.9174.3000111.7L279 W280 F285 Y286 G287 W288 I289L279-L283 HydrophobicContact CD1-CD1 4.27Å; L279-L283 HydrophobicContact CD1-CG 4.2Å; L279-L283 HydrophobicContact CG-CD1 4.05Å; L279-L283 HydrophobicContact CG-CG 4.4Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.28Å; L279-L283 PolarHBondContact O-N 2.81Å; W280-L283 PolarHBondContact O-N 3.1Å; L283-F285 VanDerWaalsContact C-N 3.35Å; L283-F285 PolarHBondContact O-N 3.35Å; L283-Y286 PolarHBondContact O-N 3.4Å; L283-G287 PolarHBondContact O-N 3.42Å; L283-W288 HydrophobicContact CB-CB 4.36Å; L283-W288 HydrophobicContact CD2-CB 4.19Å; L283-W288 HydrophobicContact CD2-CD2 4.23Å; L283-W288 HydrophobicContact CD2-CE3 3.34Å; L283-W288 HydrophobicContact CD2-CZ3 4.02Å; L283-W288 PolarHBondContact O-N 2.92Å; L283-I289 HydrophobicContact CB-CD1 3.69Å; L283-I289 HydrophobicContact CB-CG1 3.73Å; L283-I289 HydrophobicContact CB-CG2 4.32Å; L283-I289 HydrophobicContact CD1-CD1 4.3Å; L283-I289 HydrophobicContact CD1-CG2 4.48Å
284H86.6Confident81Confident72 Ų7272.5 Ų72.533%0.33336%0.362SS..Hα-helixtrans-62.6-40.5178.5179.8-96.7000111.6W280 G287 I289W280-H284 HydrophobicContact CD2-CB 4.46Å; W280-H284 HydrophobicContact CE3-CB 4.34Å; W280-H284 HydrophobicContact CH2-CB 4.17Å; W280-H284 AromaticContact CH2-CD2 3.85Å; W280-H284 AromaticContact CH2-CG 3.78Å; W280-H284 HydrophobicContact CZ2-CB 4.3Å; W280-H284 AromaticContact CZ2-CD2 3.92Å; W280-H284 HydrophobicContact CZ3-CB 4.19Å; W280-H284 VanDerWaalsContact O-CB 3.26Å; W280-H284 WeakPolarHBondContact O-CB 3.47Å; W280-H284 PolarHBondContact O-N 3.42Å; H284-G287 PolarHBondContact O-N 3.04Å; H284-G287 VanDerWaalsContact O-N 3.15Å; H284-I289 HydrophobicContact CB-CD1 4.5Å; H284-I289 HydrophobicContact CB-CG1 4.14Å
285F89Confident82.2Confident3 Ų370.7 Ų70.71%0.01335%0.351CS..Hα-helixtrans-63.1-44177.9179.4-97000112.4F77 N79 D110 A114 L117 F151 W281 Y282 L283 G287F77-F285 HydrophobicContact CE2-CD1 4.39Å; F77-F285 AromaticContact CE2-CE1 3.6Å; F77-F285 HydrophobicContact CE2-CE1 3.6Å; F77-F285 HydrophobicContact CE2-CZ 4.08Å; F77-F285 HydrophobicContact CZ-CE1 4.09Å; N79-F285 HydrophobicContact CB-CD2 3.94Å; N79-F285 HydrophobicContact CB-CE1 4.36Å; N79-F285 HydrophobicContact CB-CE2 3.49Å; N79-F285 VanDerWaalsContact CB-CE2 3.49Å; N79-F285 HydrophobicContact CB-CZ 3.72Å; N79-F285 PolarHBondContact ND2-O 3.08Å; N79-F285 WeakPolarHBondContact O-CZ 3.18Å; D110-F285 HydrophobicContact CB-CE1 3.59Å; D110-F285 HydrophobicContact CB-CZ 3.96Å; D110-F285 WeakPolarHBondContact O-CE2 3.46Å; D110-F285 WeakPolarHBondContact O-CZ 3.26Å; A114-F285 HydrophobicContact CB-CD2 3.64Å; A114-F285 HydrophobicContact CB-CE2 3.85Å; A114-F285 HydrophobicContact CB-CG 4.31Å; L117-F285 HydrophobicContact CD1-CD2 3.85Å; L117-F285 HydrophobicContact CD1-CE2 4.12Å; F151-F285 AromaticContact CE2-CD1 3.98Å; F151-F285 HydrophobicContact CE2-CD1 3.98Å; F151-F285 HydrophobicContact CE2-CE1 4.15Å; F151-F285 HydrophobicContact CE2-CG 4.38Å; F151-F285 HydrophobicContact CZ-CB 4Å; F151-F285 AromaticContact CZ-CD1 3.66Å; F151-F285 HydrophobicContact CZ-CD1 3.66Å; F151-F285 HydrophobicContact CZ-CD2 4.38Å; F151-F285 HydrophobicContact CZ-CE1 4.27Å; F151-F285 AromaticContact CZ-CG 3.73Å; F151-F285 HydrophobicContact CZ-CG 3.73Å; W281-F285 WeakPolarHBondContact O-CB 3.24Å; W281-F285 PolarHBondContact O-N 2.86Å; Y282-F285 PolarHBondContact O-N 2.91Å; L283-F285 VanDerWaalsContact C-N 3.35Å; L283-F285 PolarHBondContact O-N 3.35Å; F285-G287 PolarHBondContact O-N 3.47Å
286Y88.3Confident83.3Confident34 Ų3471.1 Ų71.113%0.13335%0.347CS..THydrogen-bonded Turntrans-81.21.1176.6-70.3-73.1000113.4F77 D110 Y282 L283F77-Y286 HydrophobicContact CD1-CD1 4.23Å; F77-Y286 HydrophobicContact CD1-CE1 4.39Å; F77-Y286 HydrophobicContact CD2-CD1 4.15Å; F77-Y286 AromaticContact CE1-CD1 3.99Å; F77-Y286 HydrophobicContact CE1-CD1 3.99Å; F77-Y286 AromaticContact CE1-CE1 3.71Å; F77-Y286 HydrophobicContact CE1-CE1 3.71Å; F77-Y286 AromaticContact CE2-CD1 3.9Å; F77-Y286 HydrophobicContact CE2-CD1 3.9Å; F77-Y286 AromaticContact CE2-CE1 3.93Å; F77-Y286 HydrophobicContact CE2-CE1 3.93Å; F77-Y286 HydrophobicContact CG-CD1 4.32Å; F77-Y286 AromaticContact CZ-CD1 3.82Å; F77-Y286 HydrophobicContact CZ-CD1 3.82Å; F77-Y286 AromaticContact CZ-CE1 3.44Å; F77-Y286 HydrophobicContact CZ-CE1 3.44Å; F77-Y286 VanDerWaalsContact CZ-CE1 3.44Å; D110-Y286 PolarHBondContact OD2-OH 2.77Å; Y282-Y286 HydrophobicContact CD1-CD2 4.38Å; Y282-Y286 AromaticContact CD2-CD2 3.96Å; Y282-Y286 HydrophobicContact CD2-CD2 3.96Å; Y282-Y286 AromaticContact CD2-CE2 3.64Å; Y282-Y286 HydrophobicContact CD2-CE2 3.64Å; Y282-Y286 HydrophobicContact CE1-CD2 4.17Å; Y282-Y286 AromaticContact CE2-CD2 3.75Å; Y282-Y286 HydrophobicContact CE2-CD2 3.75Å; Y282-Y286 AromaticContact CE2-CE2 3.28Å; Y282-Y286 HydrophobicContact CE2-CE2 3.28Å; Y282-Y286 HydrophobicContact CG-CD2 4.27Å; Y282-Y286 HydrophobicContact CG-CE2 4.39Å; Y282-Y286 AromaticContact CZ-CD2 3.83Å; Y282-Y286 AromaticContact CZ-CE2 3.76Å; Y282-Y286 VanDerWaalsContact O-CD2 3.25Å; Y282-Y286 WeakPolarHBondContact O-CD2 3.48Å; Y282-Y286 PolarHBondContact O-N 2.86Å; Y282-Y286 VanDerWaalsContact O-N 3.14Å; L283-Y286 PolarHBondContact O-N 3.4Å
287G83.5Confident83.9Confident56 Ų5665.2 Ų65.258%0.57731%0.313SS*.THydrogen-bonded Turntrans7130.3176.800000113.9L283 H284 F285L283-G287 PolarHBondContact O-N 3.42Å; H284-G287 PolarHBondContact O-N 3.04Å; H284-G287 VanDerWaalsContact O-N 3.15Å; F285-G287 PolarHBondContact O-N 3.47Å
288W82.2Confident84.5Confident166 Ų16663.5 Ų63.563%0.62931%0.306SS*.  trans-88.2-15.7177.2-64.8-0.5000113.1Y282 L283Y282-W288 HydrophobicContact CE1-CH2 4.19Å; Y282-W288 AromaticContact CE1-CZ3 3.89Å; Y282-W288 HydrophobicContact CE1-CZ3 3.89Å; L283-W288 HydrophobicContact CB-CB 4.36Å; L283-W288 HydrophobicContact CD2-CB 4.19Å; L283-W288 HydrophobicContact CD2-CD2 4.23Å; L283-W288 HydrophobicContact CD2-CE3 3.34Å; L283-W288 HydrophobicContact CD2-CZ3 4.02Å; L283-W288 PolarHBondContact O-N 2.92Å
289I83.1Confident85Confident118 Ų11869 Ų6961%0.60533%0.332SS*.  trans-139.20171.462.5179.6000109W280 L283 H284W280-I289 HydrophobicContact CD2-CD1 4.46Å; W280-I289 HydrophobicContact CG-CD1 3.95Å; L283-I289 HydrophobicContact CB-CD1 3.69Å; L283-I289 HydrophobicContact CB-CG1 3.73Å; L283-I289 HydrophobicContact CB-CG2 4.32Å; L283-I289 HydrophobicContact CD1-CD1 4.3Å; L283-I289 HydrophobicContact CD1-CG2 4.48Å; H284-I289 HydrophobicContact CB-CD1 4.5Å; H284-I289 HydrophobicContact CB-CG1 4.14Å

Retrieved 289 of 289 residues in 155.1 ms (Link to these results)

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