A0A093HEL7_STRCA Loading...

Tubulin delta chain

Acts as a positive regulator of hedgehog signaling and regulates ciliary function.

AlphaFold DB , UniProt , Accession A0A093HEL7, Species STRCA (Struthio camelus australis), Gene n/a, Length 453 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
1M84.6Confident95.6Very high65 Ų6519.6 Ų19.632%0.3210%0.101SC..  0145.10-60.1173.4172.100108.7E48 R132 R253M1-E48 WeakPolarHBondContact CA-OE1 3.21Å; M1-E48 PolarHBondContact N-OE1 3.25Å; M1-R132 CarbonylContact C-O 3.58Å; M1-R132 WeakPolarHBondContact CA-O 3.37Å; M1-R132 HydrophobicContact CB-CB 4.47Å; M1-R132 WeakPolarHBondContact CB-O 3.32Å; M1-R132 HydrophobicContact CG-CB 4.13Å; M1-R253 WeakPolarHBondContact CB-O 3.47Å; M1-R253 WeakPolarHBondContact CG-O 3.48Å; M1-R253 PolarHBondContact N-O 3.36Å
2S92.4Very high95.8Very high2 Ų218 Ų181%0.0149%0.093CC..EExtended strand (participates in β ladder)trans-89.8149.4-176-53.10000112.2E48 R49 C130 R132 S134S2-E48 WeakPolarHBondContact CB-O 3.44Å; S2-E48 PolarHBondContact OG-O 2.94Å; S2-R49 WeakPolarHBondContact CA-O 3.3Å; S2-C130 VanDerWaalsContact CB-SG 3.51Å; S2-R132 PolarHBondContact N-O 3.13Å; S2-S134 WeakPolarHBondContact O-CB 3.27Å; S2-S134 PolarHBondContact O-N 3.13Å
3V95.7Very high95.9Very high1 Ų116.6 Ų16.61%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-117.1131172.7177.30000107.8R49 F50 F137 P255 L256V3-R49 HydrophobicContact CG2-CG 4.18Å; V3-R49 PolarHBondContact N-O 3.08Å; V3-F50 HydrophobicContact CB-CD1 4.48Å; V3-F50 HydrophobicContact CB-CE1 4.04Å; V3-F50 HydrophobicContact CG1-CE1 4.28Å; V3-F137 HydrophobicContact CG1-CB 3.64Å; V3-P255 HydrophobicContact CG2-CB 4.46Å; V3-P255 HydrophobicContact CG2-CG 3.46Å; V3-P255 VanDerWaalsContact CG2-CG 3.46Å; V3-L256 HydrophobicContact CG1-CD1 4.04Å; V3-L256 HydrophobicContact CG2-CD1 4.14Å; V3-L256 HydrophobicContact CG2-CG 4.09Å
4V97.8Very high96Very high0 Ų019.3 Ų19.30%010%0.098CC..EExtended strand (participates in β ladder)trans-96.4118.4172.6175.10000108.3V6 E126 L133 G135 F136 F137V4-V6 HydrophobicContact CG1-CG2 4.45Å; V4-E126 HydrophobicContact CG1-CB 4.13Å; V4-E126 HydrophobicContact CG1-CG 3.94Å; V4-E126 HydrophobicContact CG2-CG 4.22Å; V4-L133 HydrophobicContact CB-CD1 4.37Å; V4-L133 HydrophobicContact CG2-CD1 3.75Å; V4-G135 PolarHBondContact N-O 3.32Å; V4-G135 VanDerWaalsContact N-O 3.14Å; V4-F136 HydrophobicContact CB-CD1 3.87Å; V4-F136 HydrophobicContact CB-CE1 4.01Å; V4-F136 HydrophobicContact CG1-CD1 4.14Å; V4-F136 HydrophobicContact CG1-CE1 4.22Å; V4-F136 WeakPolarHBondContact O-CA 3.22Å; V4-F137 PolarHBondContact O-N 2.8Å
5T98.3Very high96.2Very high3 Ų318 Ų182%0.0189%0.091CC..EExtended strand (participates in β ladder)trans-88.1126.4178.8-58.80000110.3Q7 F20 R62 A63 V64 F137 I139T5-Q7 HydrophobicContact CG2-CG 3.92Å; T5-F20 HydrophobicContact CG2-CE2 4.02Å; T5-F20 HydrophobicContact CG2-CZ 4.49Å; T5-R62 PolarHBondContact N-O 2.95Å; T5-A63 CarbonylContact O-C 3.59Å; T5-A63 WeakPolarHBondContact O-CA 3.2Å; T5-V64 PolarHBondContact O-N 3.05Å; T5-F137 CarbonylContact C-O 3.55Å; T5-F137 WeakPolarHBondContact CA-O 3.26Å; T5-F137 HydrophobicContact CG2-CD1 3.95Å; T5-F137 WeakPolarHBondContact CG2-O 3.48Å; T5-I139 HydrophobicContact CG2-CD1 3.89Å; T5-I139 HydrophobicContact CG2-CG1 4.26Å
6V98.6Very high96.3Very high0 Ų016.9 Ų16.90%09%0.086CC..EExtended strand (participates in β ladder)trans-112.1110176.6-174.50000109V4 L8 V123 F136 F137 T138 I139 V154 L158V4-V6 HydrophobicContact CG1-CG2 4.45Å; V6-L8 HydrophobicContact CG1-CD1 4.27Å; V6-L8 HydrophobicContact CG1-CD2 4.29Å; V6-L8 HydrophobicContact CG1-CG 4.13Å; V6-V123 HydrophobicContact CG2-CG2 4.11Å; V6-F136 HydrophobicContact CG2-CD1 4.38Å; V6-F137 PolarHBondContact N-O 3.32Å; V6-T138 HydrophobicContact CB-CG2 3.93Å; V6-T138 CarbonylContact O-C 3.59Å; V6-T138 VanDerWaalsContact O-CA 3.29Å; V6-T138 WeakPolarHBondContact O-CA 3.36Å; V6-I139 PolarHBondContact O-N 3.25Å; V6-V154 HydrophobicContact CG1-CG1 4.3Å; V6-L158 HydrophobicContact CG2-CD1 4.42Å
7Q98.5Very high96.3Very high0 Ų016.9 Ų16.90%09%0.085CC..EExtended strand (participates in β ladder)trans-98.2119.2-174.3-57.9178.48.100109.6T5 N13 V64 L65 V66 Y88T5-Q7 HydrophobicContact CG2-CG 3.92Å; Q7-N13 VanDerWaalsContact CB-OD1 3.3Å; Q7-N13 WeakPolarHBondContact CB-OD1 3.25Å; Q7-N13 PolarHBondContact O-OD1 3.43Å; Q7-N13 PolarHBondContact OE1-O 3.3Å; Q7-V64 PolarHBondContact N-O 3.22Å; Q7-L65 HydrophobicContact CB-CG 4.42Å; Q7-V66 PolarHBondContact O-N 3.46Å; Q7-Y88 PolarHBondContact NE2-OH 3.35Å; Q7-Y88 PolarHBondContact OE1-OH 3.22Å
8L98.2Very high96.4Very high0 Ų016.9 Ų16.90%09%0.085CC..EExtended strand (participates in β ladder)trans-118.6119.5-167.7-67.8153000111.8V6 V66 T138 I139 M140 V154V6-L8 HydrophobicContact CG1-CD1 4.27Å; V6-L8 HydrophobicContact CG1-CD2 4.29Å; V6-L8 HydrophobicContact CG1-CG 4.13Å; L8-V66 HydrophobicContact CD2-CB 3.93Å; L8-V66 HydrophobicContact CD2-CG1 4.18Å; L8-V66 HydrophobicContact CD2-CG2 4.4Å; L8-T138 HydrophobicContact CD1-CG2 4.38Å; L8-I139 PolarHBondContact N-O 3.19Å; L8-M140 HydrophobicContact CB-CB 4.16Å; L8-M140 HydrophobicContact CD1-CE 4.22Å; L8-V154 HydrophobicContact CD2-CB 4.27Å; L8-V154 HydrophobicContact CD2-CG1 4.38Å; L8-V154 HydrophobicContact CD2-CG2 4.19Å
9G96.8Very high96.4Very high2 Ų216.2 Ų16.22%0.0218%0.082CC..Hα-helixtrans68.8-179.6179.400000114.1C11 G12 N13 V66 D67G9-C11 PolarHBondContact O-N 3.23Å; G9-G12 PolarHBondContact O-N 2.85Å; G9-N13 PolarHBondContact O-N 3.47Å; G9-N13 PolarHBondContact O-ND2 2.98Å; G9-V66 PolarHBondContact N-O 3.28Å; G9-D67 VanDerWaalsContact C-OD2 3.29Å
10Q95.3Very high96.4Very high110 Ų11015.5 Ų15.551%0.5148%0.078SC..Hα-helixtrans-53.4-50.1-173.3172171.6-3300113.5Q14 D67 V72Q10-Q14 WeakPolarHBondContact O-CG 3.16Å; Q10-Q14 PolarHBondContact O-N 3.32Å; Q10-D67 WeakPolarHBondContact CA-OD2 3.47Å; Q10-D67 PolarHBondContact N-OD2 2.97Å; Q10-V72 HydrophobicContact CB-CG2 4Å; Q10-V72 HydrophobicContact CG-CG1 4.39Å; Q10-V72 HydrophobicContact CG-CG2 3.69Å
11C95.8Very high96.3Very high33 Ų3317.4 Ų17.422%0.2239%0.088CC..Hα-helixtrans-65.3-46.3-178.4178.40000111.5G9 N13 Q14 I15G9-C11 PolarHBondContact O-N 3.23Å; C11-N13 PolarHBondContact O-N 3.3Å; C11-Q14 PolarHBondContact O-N 3.28Å; C11-I15 WeakPolarHBondContact O-CG1 3.42Å; C11-I15 PolarHBondContact O-N 3.41Å; C11-I15 VanDerWaalsContact SG-CD1 3.56Å
12G97.5Very high96.8Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-60.8-42.9-179.500000113.1G9 G16 I139G9-G12 PolarHBondContact O-N 2.85Å; G12-G16 PolarHBondContact O-N 2.98Å; G12-I139 WeakPolarHBondContact CA-O 2.75Å
13N97.8Very high96.8Very high0 Ų014.7 Ų14.70%08%0.076CC..Hα-helixtrans-66.6-36.3178.1-71.2-55.9000113.1Q7 G9 C11 H17 L65 V66 V72Q7-N13 VanDerWaalsContact CB-OD1 3.3Å; Q7-N13 WeakPolarHBondContact CB-OD1 3.25Å; Q7-N13 PolarHBondContact O-OD1 3.43Å; Q7-N13 PolarHBondContact OE1-O 3.3Å; G9-N13 PolarHBondContact O-N 3.47Å; G9-N13 PolarHBondContact O-ND2 2.98Å; C11-N13 PolarHBondContact O-N 3.3Å; N13-H17 PolarHBondContact O-N 3.32Å; N13-L65 WeakPolarHBondContact OD1-CB 3.36Å; N13-L65 WeakPolarHBondContact OD1-CG 3.18Å; N13-V66 PolarHBondContact ND2-O 3.37Å; N13-V72 HydrophobicContact CB-CG1 3.99Å
14Q97.4Very high96.6Very high54 Ų5414.8 Ų14.825%0.2528%0.077SC..Hα-helixtrans-73.2-42.5178.1-69.2177.832.800112.2Q10 C11 H17 E18 V72 N228Q10-Q14 WeakPolarHBondContact O-CG 3.16Å; Q10-Q14 PolarHBondContact O-N 3.32Å; C11-Q14 PolarHBondContact O-N 3.28Å; Q14-H17 PolarHBondContact O-N 2.85Å; Q14-E18 PolarHBondContact O-N 3.37Å; Q14-V72 HydrophobicContact CG-CG1 3.9Å; Q14-N228 WeakPolarHBondContact CB-ND2 3.38Å
15I98Very high96.3Very high0 Ų018.6 Ų18.60%010%0.104CC..Hα-helixtrans-67.5-45.2176.6-68.7175.2000110.2C11 H17 E18 V19 I139 I172 N228 I231 L235C11-I15 WeakPolarHBondContact O-CG1 3.42Å; C11-I15 PolarHBondContact O-N 3.41Å; C11-I15 VanDerWaalsContact SG-CD1 3.56Å; I15-H17 PolarHBondContact O-N 3.22Å; I15-E18 PolarHBondContact O-N 3.34Å; I15-V19 HydrophobicContact CG2-CG2 4.02Å; I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.4Å; I15-V19 PolarHBondContact O-N 3.09Å; I15-I139 HydrophobicContact CB-CG2 4.06Å; I15-I139 HydrophobicContact CG2-CG2 3.9Å; I15-I172 HydrophobicContact CD1-CD1 3.6Å; I15-I172 HydrophobicContact CD1-CG1 3.44Å; I15-I172 VanDerWaalsContact CD1-CG1 3.44Å; I15-N228 HydrophobicContact CG1-CB 4.14Å; I15-N228 VanDerWaalsContact CG1-OD1 3.24Å; I15-N228 WeakPolarHBondContact CG1-OD1 3.41Å; I15-I231 HydrophobicContact CD1-CD1 4.07Å; I15-I231 HydrophobicContact CG2-CG2 3.89Å; I15-L235 HydrophobicContact CG2-CD1 4.49Å
16G97.6Very high95.8Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-56.6-40178.200000112.5G12 V19 F20G12-G16 PolarHBondContact O-N 2.98Å; G16-V19 PolarHBondContact O-N 3.36Å; G16-F20 VanDerWaalsContact O-CD2 3.27Å; G16-F20 WeakPolarHBondContact O-CD2 3.27Å; G16-F20 PolarHBondContact O-N 3.47Å
17H96.9Very high95.2Very high17 Ų1719.3 Ų19.38%0.07911%0.108CC..Hα-helixtrans-57.7-51.9171.2176.964.7000113.4N13 Q14 I15 V19 F20 N21 T76 I79 W86 Y88N13-H17 PolarHBondContact O-N 3.32Å; Q14-H17 PolarHBondContact O-N 2.85Å; I15-H17 PolarHBondContact O-N 3.22Å; H17-V19 VanDerWaalsContact C-N 3.27Å; H17-V19 PolarHBondContact O-N 2.84Å; H17-F20 PolarHBondContact O-N 2.8Å; H17-N21 WeakPolarHBondContact O-CB 3.13Å; H17-N21 PolarHBondContact O-N 3.31Å; H17-T76 HydrophobicContact CB-CG2 3.73Å; H17-I79 VanDerWaalsContact NE2-CG2 3.34Å; H17-I79 WeakPolarHBondContact NE2-CG2 3.46Å; H17-W86 AromaticContact CE1-CZ2 3.77Å; H17-W86 AromaticContact ND1-CH2 3.54Å; H17-W86 AromaticContact ND1-CZ2 3.48Å; H17-W86 WeakPolarHBondContact ND1-CZ2 3.11Å; H17-W86 WeakPolarHBondContact O-CZ2 3.47Å; H17-Y88 VanDerWaalsContact CA-OH 3.26Å; H17-Y88 WeakPolarHBondContact CA-OH 3.35Å; H17-Y88 PolarHBondContact N-OH 2.7Å
18E97.3Very high94.4Very high17 Ų1723.7 Ų23.78%0.07913%0.128CC..Hα-helixtrans-64.6-33.6179.7-67.1-68.2171.700111.4Q14 I15 N21 A22 R225 N228 Q229 A232Q14-E18 PolarHBondContact O-N 3.37Å; I15-E18 PolarHBondContact O-N 3.34Å; E18-N21 WeakPolarHBondContact O-CB 3.42Å; E18-N21 PolarHBondContact O-N 3.06Å; E18-A22 WeakPolarHBondContact O-CB 3.45Å; E18-A22 PolarHBondContact O-N 3.43Å; E18-R225 IonicContact OE1-NE 2.68Å; E18-N228 HydrophobicContact CB-CB 4.42Å; E18-N228 HydrophobicContact CG-CB 3.98Å; E18-Q229 HydrophobicContact CG-CG 4.38Å; E18-Q229 WeakPolarHBondContact OE2-CG 3.21Å; E18-A232 HydrophobicContact CB-CB 3.7Å; E18-A232 WeakPolarHBondContact O-CB 3.24Å
19V96.9Very high93.3Very high4 Ų424.7 Ų24.72%0.02414%0.138CC..Hα-helixtrans-62.5-52.2174.3170.50000111.3I15 G16 H17 N21 A22 I23 A232 L235I15-V19 HydrophobicContact CG2-CG2 4.02Å; I15-V19 VanDerWaalsContact O-CG2 3.3Å; I15-V19 WeakPolarHBondContact O-CG2 3.4Å; I15-V19 PolarHBondContact O-N 3.09Å; G16-V19 PolarHBondContact O-N 3.36Å; H17-V19 VanDerWaalsContact C-N 3.27Å; H17-V19 PolarHBondContact O-N 2.84Å; V19-N21 PolarHBondContact O-N 3.17Å; V19-A22 PolarHBondContact O-N 3.39Å; V19-I23 HydrophobicContact CG1-CD1 3.75Å; V19-I23 HydrophobicContact CG1-CG1 4.43Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 3.28Å; V19-A232 HydrophobicContact CG2-CB 4.07Å; V19-L235 HydrophobicContact CG2-CB 4.27Å; V19-L235 HydrophobicContact CG2-CD1 3.5Å
20F96.6Very high91.6Very high1 Ų129.4 Ų29.40%0.00417%0.166CC..Hα-helixtrans-62.6-34.9177-83.6-74.9000111.8T5 G16 H17 I23 C24 F50 F51 A61 A63 W86 Y88T5-F20 HydrophobicContact CG2-CE2 4.02Å; T5-F20 HydrophobicContact CG2-CZ 4.49Å; G16-F20 VanDerWaalsContact O-CD2 3.27Å; G16-F20 WeakPolarHBondContact O-CD2 3.27Å; G16-F20 PolarHBondContact O-N 3.47Å; H17-F20 PolarHBondContact O-N 2.8Å; F20-I23 PolarHBondContact O-N 3.32Å; F20-C24 WeakPolarHBondContact O-CB 3.5Å; F20-C24 PolarHBondContact O-N 2.77Å; F20-F50 HydrophobicContact CE1-CB 4.07Å; F20-F50 HydrophobicContact CE1-CD1 4.47Å; F20-F51 AromaticContact CD1-CE1 3.89Å; F20-F51 HydrophobicContact CD1-CE1 3.89Å; F20-F51 AromaticContact CD1-CZ 3.88Å; F20-F51 HydrophobicContact CD1-CZ 3.88Å; F20-F51 HydrophobicContact CE1-CE1 4.47Å; F20-A61 HydrophobicContact CD1-CB 3.64Å; F20-A61 HydrophobicContact CD2-CB 4.29Å; F20-A61 HydrophobicContact CE1-CB 3.54Å; F20-A61 HydrophobicContact CE2-CB 4.23Å; F20-A61 HydrophobicContact CG-CB 4.03Å; F20-A61 HydrophobicContact CZ-CB 3.86Å; F20-A63 HydrophobicContact CE2-CB 3.69Å; F20-A63 HydrophobicContact CZ-CB 3.89Å; F20-W86 HydrophobicContact CB-CD2 4.24Å; F20-W86 HydrophobicContact CB-CE3 4.13Å; F20-W86 HydrophobicContact CB-CH2 3.43Å; F20-W86 VanDerWaalsContact CB-CH2 3.43Å; F20-W86 HydrophobicContact CB-CZ2 3.57Å; F20-W86 HydrophobicContact CB-CZ3 3.74Å; F20-W86 HydrophobicContact CG-CH2 4.26Å; F20-W86 HydrophobicContact CG-CZ3 4.2Å; F20-Y88 HydrophobicContact CD2-CE1 4.14Å; F20-Y88 HydrophobicContact CE2-CE1 4.36Å
21N95Very high90Very high56 Ų5628 Ų2830%0.29916%0.16SC..Hα-helixtrans-64.5-45173.9-169.250.6000112.2H17 E18 V19 C24 S25 W86H17-N21 WeakPolarHBondContact O-CB 3.13Å; H17-N21 PolarHBondContact O-N 3.31Å; E18-N21 WeakPolarHBondContact O-CB 3.42Å; E18-N21 PolarHBondContact O-N 3.06Å; V19-N21 PolarHBondContact O-N 3.17Å; N21-C24 PolarHBondContact O-N 3.19Å; N21-S25 WeakPolarHBondContact O-CB 3.3Å; N21-S25 PolarHBondContact O-N 3.12Å; N21-W86 HydrophobicContact CB-CZ2 4.31Å
22A94Very high88Confident9 Ų930.2 Ų30.27%0.07419%0.188CC..Hα-helixtrans-64.3-41.7176.100000111.8E18 V19 D26 A232E18-A22 WeakPolarHBondContact O-CB 3.45Å; E18-A22 PolarHBondContact O-N 3.43Å; V19-A22 PolarHBondContact O-N 3.39Å; A22-D26 WeakPolarHBondContact O-CB 3.35Å; A22-D26 PolarHBondContact O-N 2.85Å; A22-A232 HydrophobicContact CB-CB 4.11Å
23I93.1Very high86.5Confident1 Ų133.3 Ų33.31%0.00521%0.205CC..Hα-helixtrans-62.5-50.1176.7-68.9169.6000110.3V19 F20 D26 V27 C46 F50 F51 Q240V19-I23 HydrophobicContact CG1-CD1 3.75Å; V19-I23 HydrophobicContact CG1-CG1 4.43Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 3.28Å; F20-I23 PolarHBondContact O-N 3.32Å; I23-D26 PolarHBondContact O-N 2.68Å; I23-V27 WeakPolarHBondContact O-CG2 3Å; I23-V27 PolarHBondContact O-N 3.06Å; I23-C46 WeakPolarHBondContact CG2-SG 3.49Å; I23-F50 HydrophobicContact CD1-CD1 4.34Å; I23-F50 HydrophobicContact CD1-CD2 4.02Å; I23-F50 HydrophobicContact CD1-CE1 4.42Å; I23-F50 HydrophobicContact CD1-CE2 4.08Å; I23-F50 HydrophobicContact CD1-CG 4.16Å; I23-F50 HydrophobicContact CD1-CZ 4.32Å; I23-F50 HydrophobicContact CG2-CD2 4.1Å; I23-F51 HydrophobicContact CG2-CE2 3.86Å; I23-F51 HydrophobicContact CG2-CZ 4.33Å; I23-Q240 VanDerWaalsContact CA-NE2 3.33Å; I23-Q240 PolarHBondContact O-NE2 3.17Å
24C91.8Very high85.3Confident4 Ų435 Ų353%0.02722%0.216CC..Hα-helixtrans-66.2-43.2-178.8-171.50000112F20 N21 D26 V27 H28 F51 W86F20-C24 WeakPolarHBondContact O-CB 3.5Å; F20-C24 PolarHBondContact O-N 2.77Å; N21-C24 PolarHBondContact O-N 3.19Å; C24-D26 VanDerWaalsContact C-N 3.32Å; C24-D26 PolarHBondContact O-N 3.05Å; C24-V27 WeakPolarHBondContact O-CB 3.48Å; C24-V27 PolarHBondContact O-N 3.26Å; C24-H28 PolarHBondContact O-N 2.93Å; C24-H28 VanDerWaalsContact O-N 3.17Å; C24-H28 PolarHBondContact O-ND1 3.34Å; C24-H28 PolarHBondContact SG-CE1 2.94Å; C24-F51 HydrophobicContact CB-CZ 4.1Å; C24-W86 HydrophobicContact CB-CG 4.18Å
25S90.3Very high84.5Confident79 Ų7935.2 Ų35.255%0.55222%0.224SC*.Hα-helixtrans-58.2-45.5175.4179.90000111.3N21 V27 H28 G29N21-S25 WeakPolarHBondContact O-CB 3.3Å; N21-S25 PolarHBondContact O-N 3.12Å; S25-V27 PolarHBondContact O-N 3.27Å; S25-H28 PolarHBondContact O-N 3.31Å; S25-G29 PolarHBondContact O-N 2.75Å
26D89.3Confident83.7Confident8 Ų843 Ų434%0.04326%0.257CS..Hα-helixtrans-62-44.9177-176.249.5000110.8A22 I23 C24 H28 G29 Y42 Q240 R349 R384 F386A22-D26 WeakPolarHBondContact O-CB 3.35Å; A22-D26 PolarHBondContact O-N 2.85Å; I23-D26 PolarHBondContact O-N 2.68Å; C24-D26 VanDerWaalsContact C-N 3.32Å; C24-D26 PolarHBondContact O-N 3.05Å; D26-H28 VanDerWaalsContact C-N 3.28Å; D26-H28 PolarHBondContact O-N 2.85Å; D26-G29 PolarHBondContact O-N 3.15Å; D26-Y42 PolarHBondContact OD2-OH 3.32Å; D26-Q240 WeakPolarHBondContact OD2-CG 3.47Å; D26-Q240 PolarHBondContact OD2-NE2 3.05Å; D26-Q240 VanDerWaalsContact OD2-NE2 3.15Å; D26-R349 IonicContact OD1-NH2 3.71Å; D26-R349 IonicContact OD2-CZ 2.94Å; D26-R349 IonicContact OD2-NH1 2.79Å; D26-R349 IonicContact OD2-NH2 3.73Å; D26-R349 PolarHBondContact OD2-NH2 3.11Å; D26-R384 PolarHBondContact O-NH1 3.15Å; D26-R384 PolarHBondContact O-NH2 2.95Å; D26-R384 IonicContact OD1-NH1 3.7Å; D26-R384 PolarHBondContact OD1-NH1 3.24Å; D26-R384 IonicContact OD2-NH1 2.75Å; D26-R384 PolarHBondContact OD2-NH1 3.1Å; D26-F386 HydrophobicContact CB-CD2 4.08Å; D26-F386 HydrophobicContact CB-CE2 3.95Å; D26-F386 VanDerWaalsContact CG-CD2 3.46Å; D26-F386 WeakPolarHBondContact OD1-CD2 3.33Å
27V86.1Confident83Confident10 Ų1051 Ų516%0.06129%0.292CS..Hα-helixtrans-54.8-40.2177170.10000113I23 C24 S25 Y42 H43 C46 R384I23-V27 WeakPolarHBondContact O-CG2 3Å; I23-V27 PolarHBondContact O-N 3.06Å; C24-V27 WeakPolarHBondContact O-CB 3.48Å; C24-V27 PolarHBondContact O-N 3.26Å; S25-V27 PolarHBondContact O-N 3.27Å; V27-Y42 HydrophobicContact CG2-CE1 4.35Å; V27-H43 HydrophobicContact CG1-CB 4.37Å; V27-H43 WeakPolarHBondContact CG1-CD2 3.33Å; V27-C46 HydrophobicContact CG2-CB 3.66Å; V27-C46 WeakPolarHBondContact CG2-SG 3.42Å; V27-R384 PolarHBondContact O-NH2 3.19Å
28H81.2Confident82.2Confident93 Ų9353.2 Ų53.243%0.43130%0.302SS..Hα-helixtrans-81.9-22.3177.7-64.589.8000113.3C24 S25 D26 T30C24-H28 PolarHBondContact O-N 2.93Å; C24-H28 VanDerWaalsContact O-N 3.17Å; C24-H28 PolarHBondContact O-ND1 3.34Å; C24-H28 PolarHBondContact SG-CE1 2.94Å; S25-H28 PolarHBondContact O-N 3.31Å; D26-H28 VanDerWaalsContact C-N 3.28Å; D26-H28 PolarHBondContact O-N 2.85Å; H28-T30 PolarHBondContact O-N 2.99Å
29G74.5Confident81.5Confident20 Ų2054.1 Ų54.121%0.20631%0.308CS..  trans-69.391.3178.700000112.5S25 D26 H31 R384S25-G29 PolarHBondContact O-N 2.75Å; D26-G29 PolarHBondContact O-N 3.15Å; G29-H31 PolarHBondContact O-N 3.11Å; G29-R384 PolarHBondContact O-NH2 2.92Å
30T61.8Low80.9Confident101 Ų10158.4 Ų58.462%0.6233%0.328SS*.  trans-82.691.5171.848.40000110.5H28 G32H28-T30 PolarHBondContact O-N 2.99Å; T30-G32 VanDerWaalsContact C-N 3.26Å; T30-G32 PolarHBondContact O-N 2.87Å
31H61.1Low80.4Confident81 Ų8160.6 Ų60.638%0.37534%0.343SS..  trans-89.844.2173.8-67.9-60.7000112.9G29 L33 A385G29-H31 PolarHBondContact O-N 3.11Å; H31-L33 WeakPolarHBondContact O-CG 3.41Å; H31-L33 PolarHBondContact O-N 3.02Å; H31-A385 HydrophobicContact CB-CB 3.75Å
32G54.1Low80Confident80 Ų8057.9 Ų57.983%0.82533%0.329SS*.SBendtrans53.713.1156.600000120.2T30T30-G32 VanDerWaalsContact C-N 3.26Å; T30-G32 PolarHBondContact O-N 2.87Å
33L65.7Low79.7Confident65 Ų6559.9 Ų59.934%0.3434%0.336SS..  trans-108.2-4.2-171-72168.8000114.6H31 K351 P383 A385H31-L33 WeakPolarHBondContact O-CG 3.41Å; H31-L33 PolarHBondContact O-N 3.02Å; L33-K351 HydrophobicContact CD1-CB 4.04Å; L33-K351 HydrophobicContact CD2-CB 3.78Å; L33-K351 HydrophobicContact CD2-CD 4.06Å; L33-K351 HydrophobicContact CD2-CG 3.78Å; L33-P383 WeakPolarHBondContact CB-O 3.23Å; L33-A385 HydrophobicContact CD1-CB 3.95Å
34C72.4Confident79.4Confident36 Ų3664.4 Ų64.424%0.24336%0.36CS..SBendtrans-132.6158.9-178.959.50000111.5E38 P383C34-E38 HydrophobicContact CB-CB 4.08Å; C34-P383 HydrophobicContact CB-CG 4.19Å
35S80.2Confident79.2Confident58 Ų5865.1 Ų65.141%0.40637%0.366SS..  trans-65.9158.5177.868.60000111.7K37 E38 N39S35-K37 VanDerWaalsContact C-N 3.25Å; S35-K37 PolarHBondContact O-N 2.8Å; S35-E38 WeakPolarHBondContact CB-OE2 3.35Å; S35-E38 PolarHBondContact N-OE2 3.08Å; S35-E38 PolarHBondContact O-N 3.17Å; S35-E38 VanDerWaalsContact O-N 3.16Å; S35-E38 VanDerWaalsContact OG-CG 3.26Å; S35-E38 WeakPolarHBondContact OG-CG 3.39Å; S35-E38 PolarHBondContact OG-N 3.21Å; S35-E38 PolarHBondContact OG-OE2 3.23Å; S35-N39 PolarHBondContact O-N 3.5Å
36K81.6Confident79.2Confident164 Ų16461.3 Ų61.371%0.71334%0.34SS*.Hα-helixtrans-53.9-43177.5-177.5175.9172.5-179.50112.3N39 E40K36-N39 PolarHBondContact O-N 3.49Å; K36-E40 WeakPolarHBondContact CE-OE1 3.5Å; K36-E40 WeakPolarHBondContact O-CG 3.32Å; K36-E40 PolarHBondContact O-N 2.96Å
37K82.6Confident79.1Confident168 Ų16863.3 Ų63.373%0.7335%0.348SS*.Hα-helixtrans-64.3-41.2179.6-175.6-179.1177.9-176.30112.6S35 N39 E40 S41S35-K37 VanDerWaalsContact C-N 3.25Å; S35-K37 PolarHBondContact O-N 2.8Å; K37-N39 VanDerWaalsContact C-N 3.34Å; K37-E40 PolarHBondContact O-N 2.99Å; K37-S41 PolarHBondContact O-N 3.15Å
38E80.4Confident79.3Confident62 Ų6267 Ų6729%0.2937%0.365SS..Hα-helixtrans-65.4-40.8176.3-71.8167.1122.800111.1C34 S35 S41 Y42C34-E38 HydrophobicContact CB-CB 4.08Å; S35-E38 WeakPolarHBondContact CB-OE2 3.35Å; S35-E38 PolarHBondContact N-OE2 3.08Å; S35-E38 PolarHBondContact O-N 3.17Å; S35-E38 VanDerWaalsContact O-N 3.16Å; S35-E38 VanDerWaalsContact OG-CG 3.26Å; S35-E38 WeakPolarHBondContact OG-CG 3.39Å; S35-E38 PolarHBondContact OG-N 3.21Å; S35-E38 PolarHBondContact OG-OE2 3.23Å; E38-S41 PolarHBondContact O-N 2.75Å; E38-Y42 WeakPolarHBondContact O-CB 3.45Å; E38-Y42 PolarHBondContact O-N 3.13Å
39N82.3Confident79.8Confident37 Ų3762.9 Ų62.920%0.19835%0.345CS..Hα-helixtrans-66.2-39.2177.7-168.469.1000112.3S35 K36 K37 Y42 H43 R384S35-N39 PolarHBondContact O-N 3.5Å; K36-N39 PolarHBondContact O-N 3.49Å; K37-N39 VanDerWaalsContact C-N 3.34Å; N39-Y42 PolarHBondContact O-N 3.28Å; N39-H43 VanDerWaalsContact O-CB 3.29Å; N39-H43 WeakPolarHBondContact O-CB 3.49Å; N39-H43 PolarHBondContact O-N 3.38Å; N39-R384 PolarHBondContact OD1-NE 3.25Å
40E84.6Confident80.7Confident94 Ų9462 Ų6244%0.43934%0.336SS..Hα-helixtrans-61.1-50.2172.1-73.9167.917900110.9K36 K37 Y42 H43 D44K36-E40 WeakPolarHBondContact CE-OE1 3.5Å; K36-E40 WeakPolarHBondContact O-CG 3.32Å; K36-E40 PolarHBondContact O-N 2.96Å; K37-E40 PolarHBondContact O-N 2.99Å; E40-Y42 VanDerWaalsContact C-N 3.28Å; E40-Y42 PolarHBondContact O-N 3.5Å; E40-H43 WeakPolarHBondContact O-CB 3.39Å; E40-H43 PolarHBondContact O-N 2.79Å; E40-D44 VanDerWaalsContact O-CG 3.24Å; E40-D44 PolarHBondContact O-N 2.81Å
41S85.4Confident82.3Confident46 Ų4657.8 Ų57.832%0.32231%0.309SS..Hα-helixtrans-61.6-34.9178.1-175.70000113.1K37 E38 A45K37-S41 PolarHBondContact O-N 3.15Å; E38-S41 PolarHBondContact O-N 2.75Å; S41-A45 VanDerWaalsContact O-CB 3.3Å; S41-A45 WeakPolarHBondContact O-CB 3.48Å; S41-A45 PolarHBondContact O-N 3.03Å
42Y87.2Confident83.7Confident0 Ų054.9 Ų54.90%030%0.298CS..Hα-helixtrans-65.6-48.6176.5179.9-92.2000110.8D26 V27 E38 N39 E40 D44 A45 C46 Q240 P241 Y251 R349 R384D26-Y42 PolarHBondContact OD2-OH 3.32Å; V27-Y42 HydrophobicContact CG2-CE1 4.35Å; E38-Y42 WeakPolarHBondContact O-CB 3.45Å; E38-Y42 PolarHBondContact O-N 3.13Å; N39-Y42 PolarHBondContact O-N 3.28Å; E40-Y42 VanDerWaalsContact C-N 3.28Å; E40-Y42 PolarHBondContact O-N 3.5Å; Y42-D44 VanDerWaalsContact C-N 3.33Å; Y42-D44 PolarHBondContact O-N 3.33Å; Y42-A45 PolarHBondContact O-N 2.96Å; Y42-C46 WeakPolarHBondContact O-CB 3.41Å; Y42-C46 PolarHBondContact O-N 2.84Å; Y42-Q240 VanDerWaalsContact OH-CB 3.24Å; Y42-Q240 WeakPolarHBondContact OH-CB 3.49Å; Y42-Q240 VanDerWaalsContact OH-CG 3.31Å; Y42-Q240 WeakPolarHBondContact OH-CG 3.38Å; Y42-Q240 PolarHBondContact OH-OE1 2.96Å; Y42-Q240 VanDerWaalsContact OH-OE1 3.09Å; Y42-P241 HydrophobicContact CD2-CB 3.75Å; Y42-P241 HydrophobicContact CD2-CG 4.05Å; Y42-P241 HydrophobicContact CE2-CB 3.84Å; Y42-P241 HydrophobicContact CE2-CG 3.99Å; Y42-P241 VanDerWaalsContact CE2-O 3.32Å; Y42-P241 WeakPolarHBondContact CE2-O 3.34Å; Y42-Y251 AromaticContact CD2-CE1 3.86Å; Y42-Y251 HydrophobicContact CD2-CE1 3.86Å; Y42-Y251 HydrophobicContact CD2-CE2 4.23Å; Y42-Y251 AromaticContact CD2-CZ 3.61Å; Y42-Y251 HydrophobicContact CG-CE2 4.48Å; Y42-Y251 VanDerWaalsContact N-CE2 3.3Å; Y42-R349 PolarHBondContact OH-NH2 3.1Å; Y42-R384 VanDerWaalsContact CE1-CZ 3.44Å; Y42-R384 VanDerWaalsContact CE1-NH1 3.28Å
43H87.2Confident84.9Confident51 Ų5158 Ų5824%0.23629%0.291CS..Hα-helixtrans-60.1-45.4178.9172.7-88.9000111V27 N39 E40 C46 K47V27-H43 HydrophobicContact CG1-CB 4.37Å; V27-H43 WeakPolarHBondContact CG1-CD2 3.33Å; N39-H43 VanDerWaalsContact O-CB 3.29Å; N39-H43 WeakPolarHBondContact O-CB 3.49Å; N39-H43 PolarHBondContact O-N 3.38Å; E40-H43 WeakPolarHBondContact O-CB 3.39Å; E40-H43 PolarHBondContact O-N 2.79Å; H43-C46 PolarHBondContact O-N 3.01Å; H43-K47 VanDerWaalsContact CE1-CD 3.4Å; H43-K47 WeakPolarHBondContact CE1-CD 3.09Å; H43-K47 WeakPolarHBondContact CE1-CE 3.14Å; H43-K47 PolarHBondContact CE1-NZ 2.89Å; H43-K47 VanDerWaalsContact CE1-NZ 3.25Å; H43-K47 WeakPolarHBondContact NE2-CE 3.42Å; H43-K47 WeakPolarHBondContact O-CB 3.42Å; H43-K47 WeakPolarHBondContact O-CG 3.44Å; H43-K47 PolarHBondContact O-N 3.05Å
44D87.5Confident85.1Confident96 Ų9659.1 Ų59.151%0.51329%0.294SS..Hα-helixtrans-64.5-44.1178.5-65.5-13.1000111.7E40 Y42 C46 K47 E48E40-D44 VanDerWaalsContact O-CG 3.24Å; E40-D44 PolarHBondContact O-N 2.81Å; Y42-D44 VanDerWaalsContact C-N 3.33Å; Y42-D44 PolarHBondContact O-N 3.33Å; D44-C46 PolarHBondContact O-N 2.89Å; D44-K47 PolarHBondContact O-N 3.33Å; D44-E48 WeakPolarHBondContact O-CB 3.24Å; D44-E48 PolarHBondContact O-N 2.78Å
45A88.6Confident84.3Confident18 Ų1868.1 Ų68.115%0.14933%0.329CS..Hα-helixtrans-63.2-41.3176.400000112.2S41 Y42 R49 P241 Y251S41-A45 VanDerWaalsContact O-CB 3.3Å; S41-A45 WeakPolarHBondContact O-CB 3.48Å; S41-A45 PolarHBondContact O-N 3.03Å; Y42-A45 PolarHBondContact O-N 2.96Å; A45-R49 VanDerWaalsContact O-CB 3.23Å; A45-R49 WeakPolarHBondContact O-CB 3.27Å; A45-R49 PolarHBondContact O-N 3.4Å; A45-P241 HydrophobicContact CB-CB 3.98Å; A45-P241 HydrophobicContact CB-CG 3.79Å; A45-Y251 HydrophobicContact CB-CD2 4.13Å; A45-Y251 HydrophobicContact CB-CG 4.28Å
46C89.4Confident83.5Confident0 Ų069.2 Ų69.20%034%0.342CS..Hα-helixtrans-67.5-41.9177.1-175.10000111.8I23 V27 Y42 H43 D44 R49 F50 Q240 P241I23-C46 WeakPolarHBondContact CG2-SG 3.49Å; V27-C46 HydrophobicContact CG2-CB 3.66Å; V27-C46 WeakPolarHBondContact CG2-SG 3.42Å; Y42-C46 WeakPolarHBondContact O-CB 3.41Å; Y42-C46 PolarHBondContact O-N 2.84Å; H43-C46 PolarHBondContact O-N 3.01Å; D44-C46 PolarHBondContact O-N 2.89Å; C46-R49 PolarHBondContact O-N 3.42Å; C46-F50 PolarHBondContact O-N 3.4Å; C46-Q240 PolarHBondContact SG-OE1 2.86Å; C46-P241 HydrophobicContact CB-CG 3.86Å
47K88.2Confident83.3Confident49 Ų4964.5 Ų64.521%0.21334%0.34CS..Hα-helixtrans-59.4-53.7175-83-176.1161.9-169.10110.8H43 D44 R49 F50 F51 E53H43-K47 VanDerWaalsContact CE1-CD 3.4Å; H43-K47 WeakPolarHBondContact CE1-CD 3.09Å; H43-K47 WeakPolarHBondContact CE1-CE 3.14Å; H43-K47 PolarHBondContact CE1-NZ 2.89Å; H43-K47 VanDerWaalsContact CE1-NZ 3.25Å; H43-K47 WeakPolarHBondContact NE2-CE 3.42Å; H43-K47 WeakPolarHBondContact O-CB 3.42Å; H43-K47 WeakPolarHBondContact O-CG 3.44Å; H43-K47 PolarHBondContact O-N 3.05Å; D44-K47 PolarHBondContact O-N 3.33Å; K47-R49 PolarHBondContact O-N 3.11Å; K47-F50 PolarHBondContact O-N 3.35Å; K47-F51 CarbonylContact O-C 3.04Å; K47-F51 WeakPolarHBondContact O-CA 3.29Å; K47-F51 PolarHBondContact O-N 2.9Å; K47-E53 IonicContact NZ-OE1 3.68Å; K47-E53 PolarHBondContact NZ-OE1 2.96Å
48E89.3Confident83.6Confident87 Ų8758.7 Ų58.741%0.40732%0.319SS..Hα-helixtrans-53.6-40177.4-169.5-160.2149.700111.6M1 S2 D44M1-E48 WeakPolarHBondContact CA-OE1 3.21Å; M1-E48 PolarHBondContact N-OE1 3.25Å; S2-E48 WeakPolarHBondContact CB-O 3.44Å; S2-E48 PolarHBondContact OG-O 2.94Å; D44-E48 WeakPolarHBondContact O-CB 3.24Å; D44-E48 PolarHBondContact O-N 2.78Å
49R91.7Very high84.2Confident8 Ų856.8 Ų56.83%0.0331%0.312CS..Hα-helixtrans-70.1-48-175.9-169174.2-77.8-171.5-9.1113.2S2 V3 A45 C46 K47 F239 S252 P255S2-R49 WeakPolarHBondContact CA-O 3.3Å; V3-R49 HydrophobicContact CG2-CG 4.18Å; V3-R49 PolarHBondContact N-O 3.08Å; A45-R49 VanDerWaalsContact O-CB 3.23Å; A45-R49 WeakPolarHBondContact O-CB 3.27Å; A45-R49 PolarHBondContact O-N 3.4Å; C46-R49 PolarHBondContact O-N 3.42Å; K47-R49 PolarHBondContact O-N 3.11Å; R49-F239 PolarHBondContact NH1-O 3.45Å; R49-S252 PolarHBondContact NH2-O 2.83Å; R49-P255 HydrophobicContact CG-CG 3.98Å; R49-P255 VanDerWaalsContact NE-CG 3.33Å
50F94.1Very high84.8Confident2 Ų255.1 Ų55.11%0.00930%0.303CS..Hα-helixtrans-120.8-12.8-167-69.9-65.6000115.4V3 F20 I23 C46 K47 R62 F239V3-F50 HydrophobicContact CB-CD1 4.48Å; V3-F50 HydrophobicContact CB-CE1 4.04Å; V3-F50 HydrophobicContact CG1-CE1 4.28Å; F20-F50 HydrophobicContact CE1-CB 4.07Å; F20-F50 HydrophobicContact CE1-CD1 4.47Å; I23-F50 HydrophobicContact CD1-CD1 4.34Å; I23-F50 HydrophobicContact CD1-CD2 4.02Å; I23-F50 HydrophobicContact CD1-CE1 4.42Å; I23-F50 HydrophobicContact CD1-CE2 4.08Å; I23-F50 HydrophobicContact CD1-CG 4.16Å; I23-F50 HydrophobicContact CD1-CZ 4.32Å; I23-F50 HydrophobicContact CG2-CD2 4.1Å; C46-F50 PolarHBondContact O-N 3.4Å; K47-F50 PolarHBondContact O-N 3.35Å; F50-R62 PolarHBondContact O-N 2.81Å; F50-F239 HydrophobicContact CE2-CB 3.99Å; F50-F239 WeakPolarHBondContact CE2-O 3.15Å; F50-F239 HydrophobicContact CZ-CB 3.68Å; F50-F239 HydrophobicContact CZ-CD1 4.33Å; F50-F239 HydrophobicContact CZ-CG 4.08Å
51F94Very high85.3Confident11 Ų1150.6 Ų50.65%0.04828%0.282CS..EExtended strand (participates in β ladder)trans-128.9155.2-174.1-58.8-85.3000112.4F20 I23 C24 K47 P59 V60 A61 R62 W86F20-F51 AromaticContact CD1-CE1 3.89Å; F20-F51 HydrophobicContact CD1-CE1 3.89Å; F20-F51 AromaticContact CD1-CZ 3.88Å; F20-F51 HydrophobicContact CD1-CZ 3.88Å; F20-F51 HydrophobicContact CE1-CE1 4.47Å; I23-F51 HydrophobicContact CG2-CE2 3.86Å; I23-F51 HydrophobicContact CG2-CZ 4.33Å; C24-F51 HydrophobicContact CB-CZ 4.1Å; K47-F51 CarbonylContact O-C 3.04Å; K47-F51 WeakPolarHBondContact O-CA 3.29Å; K47-F51 PolarHBondContact O-N 2.9Å; F51-P59 HydrophobicContact CB-CB 3.97Å; F51-P59 HydrophobicContact CD1-CB 3.73Å; F51-P59 HydrophobicContact CE1-CB 4.47Å; F51-P59 HydrophobicContact CG-CB 3.94Å; F51-V60 CarbonylContact C-O 3.52Å; F51-V60 VanDerWaalsContact CA-O 3.24Å; F51-V60 WeakPolarHBondContact CA-O 3.44Å; F51-A61 HydrophobicContact CD1-CB 4.41Å; F51-A61 HydrophobicContact CE1-CB 4.32Å; F51-R62 VanDerWaalsContact O-CZ 3.26Å; F51-R62 PolarHBondContact O-NE 2.8Å; F51-R62 PolarHBondContact O-NH2 3.47Å; F51-W86 HydrophobicContact CE1-CB 3.92Å; F51-W86 HydrophobicContact CE1-CG 4.32Å
52S91.1Very high85.9Confident20 Ų2049.2 Ų49.214%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-114.3150.616658.80000109.3V60S52-V60 PolarHBondContact N-O 3.3Å; S52-V60 PolarHBondContact O-N 3.41Å; S52-V60 PolarHBondContact OG-O 3.47Å
53E79.7Confident86.4Confident147 Ų14749.2 Ų49.269%0.68727%0.269SS*.  trans-96125.2178.8-64.4-161.4151.300110.7K47K47-E53 IonicContact NZ-OE1 3.68Å; K47-E53 PolarHBondContact NZ-OE1 2.96Å
54E68.9Low86.9Confident87 Ų8746.8 Ų46.841%0.40726%0.258SS..  trans-101.9161.6167-82.8-167.4164.600111.3A56 G57 V60 K87E54-A56 PolarHBondContact O-N 2.94Å; E54-G57 PolarHBondContact O-N 2.78Å; E54-G57 VanDerWaalsContact O-N 3.11Å; E54-V60 HydrophobicContact CB-CG2 4.29Å; E54-V60 HydrophobicContact CG-CG2 3.81Å; E54-K87 WeakPolarHBondContact OE2-CE 3.35Å; E54-K87 IonicContact OE2-NZ 3.15Å; E54-K87 PolarHBondContact OE2-NZ 2.75Å
55K57.3Low87.4Confident225 Ų22542.3 Ų42.398%0.97823%0.234SC*.THydrogen-bonded Turntrans-54.2-20.5179.1-63.8-177.8179.81800114.7
56A61.6Low87.9Confident82 Ų8241.4 Ų41.468%0.67823%0.227SC*.THydrogen-bonded Turntrans-87.5-2-17700000114.5E54 V58E54-A56 PolarHBondContact O-N 2.94Å; A56-V58 VanDerWaalsContact C-N 3.27Å; A56-V58 PolarHBondContact O-N 2.9Å
57G78.6Confident88.2Confident65 Ų6541.5 Ų41.567%0.6723%0.227SC*.SBendtrans80.7-11.5174.500000116.3E54E54-G57 PolarHBondContact O-N 2.78Å; E54-G57 VanDerWaalsContact O-N 3.11Å
58V88.6Confident88.5Confident46 Ų4639.2 Ų39.228%0.27922%0.217SC..SBendtrans-85.2123172.6-178.50000109.7A56 K87A56-V58 VanDerWaalsContact C-N 3.27Å; A56-V58 PolarHBondContact O-N 2.9Å; V58-K87 HydrophobicContact CG1-CG 4.24Å
59P91.9Very high88.7Confident22 Ų2239.7 Ų39.714%0.14322%0.22CC..  trans-59.4136.6177.4-22.732.3000112.8F51 Y85 W86 K87F51-P59 HydrophobicContact CB-CB 3.97Å; F51-P59 HydrophobicContact CD1-CB 3.73Å; F51-P59 HydrophobicContact CE1-CB 4.47Å; F51-P59 HydrophobicContact CG-CB 3.94Å; P59-Y85 WeakPolarHBondContact CD-O 3.48Å; P59-W86 WeakPolarHBondContact O-CA 3.42Å; P59-K87 PolarHBondContact O-N 3.38Å
60V94.8Very high88.7Confident1 Ų142 Ų421%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-104.1121.4177-175.40000109.8F51 S52 E54 R62 K87 D89F51-V60 CarbonylContact C-O 3.52Å; F51-V60 VanDerWaalsContact CA-O 3.24Å; F51-V60 WeakPolarHBondContact CA-O 3.44Å; S52-V60 PolarHBondContact N-O 3.3Å; S52-V60 PolarHBondContact O-N 3.41Å; S52-V60 PolarHBondContact OG-O 3.47Å; E54-V60 HydrophobicContact CB-CG2 4.29Å; E54-V60 HydrophobicContact CG-CG2 3.81Å; V60-R62 PolarHBondContact O-N 2.87Å; V60-K87 CarbonylContact C-O 3.52Å; V60-K87 WeakPolarHBondContact CA-O 3.31Å; V60-K87 HydrophobicContact CG2-CD 4.46Å; V60-K87 VanDerWaalsContact CG2-CE 3.47Å; V60-K87 HydrophobicContact CG2-CG 4.09Å; V60-D89 HydrophobicContact CG1-CB 3.85Å
61A96.4Very high88.7Confident0 Ų049.5 Ų49.50%027%0.268CS..EExtended strand (participates in β ladder)trans-62.3131.8179.600000111.3F20 F51 A63 W86 K87 Y88F20-A61 HydrophobicContact CD1-CB 3.64Å; F20-A61 HydrophobicContact CD2-CB 4.29Å; F20-A61 HydrophobicContact CE1-CB 3.54Å; F20-A61 HydrophobicContact CE2-CB 4.23Å; F20-A61 HydrophobicContact CG-CB 4.03Å; F20-A61 HydrophobicContact CZ-CB 3.86Å; F51-A61 HydrophobicContact CD1-CB 4.41Å; F51-A61 HydrophobicContact CE1-CB 4.32Å; A61-A63 HydrophobicContact CB-CB 4.42Å; A61-A63 PolarHBondContact O-N 2.87Å; A61-W86 HydrophobicContact CB-CE3 3.94Å; A61-W86 HydrophobicContact CB-CZ3 3.93Å; A61-K87 PolarHBondContact N-O 3.02Å; A61-Y88 HydrophobicContact CB-CD1 3.89Å; A61-Y88 HydrophobicContact CB-CE1 4.04Å
62R96.8Very high88.7Confident17 Ų1749.5 Ų49.56%0.06427%0.269CS..  trans-75.276.1171.8-65.7-180-171.6-85.1-2.3109.6T5 F50 F51 V60 E126 K129 C130T5-R62 PolarHBondContact N-O 2.95Å; F50-R62 PolarHBondContact O-N 2.81Å; F51-R62 VanDerWaalsContact O-CZ 3.26Å; F51-R62 PolarHBondContact O-NE 2.8Å; F51-R62 PolarHBondContact O-NH2 3.47Å; V60-R62 PolarHBondContact O-N 2.87Å; R62-E126 WeakPolarHBondContact CA-OE1 3.36Å; R62-K129 PolarHBondContact NH1-O 3.14Å; R62-C130 PolarHBondContact NH1-SG 3.47Å
63A97.8Very high88.9Confident0 Ų048.6 Ų48.60%026%0.263CS..EExtended strand (participates in β ladder)trans-142.1145.7-17400000113T5 F20 A61 L65 Y88 S92T5-A63 CarbonylContact O-C 3.59Å; T5-A63 WeakPolarHBondContact O-CA 3.2Å; F20-A63 HydrophobicContact CE2-CB 3.69Å; F20-A63 HydrophobicContact CZ-CB 3.89Å; A61-A63 HydrophobicContact CB-CB 4.42Å; A61-A63 PolarHBondContact O-N 2.87Å; A63-L65 HydrophobicContact CB-CD1 4.19Å; A63-Y88 HydrophobicContact CB-CD1 3.99Å; A63-Y88 HydrophobicContact CB-CE1 3.76Å; A63-S92 WeakPolarHBondContact O-CB 3.49Å
64V98.5Very high89.6Confident0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-116.2121.9168.7-179.20000108.9T5 Q7 V66 S92 L122 V123 E126T5-V64 PolarHBondContact O-N 3.05Å; Q7-V64 PolarHBondContact N-O 3.22Å; V64-V66 HydrophobicContact CG1-CG2 4.02Å; V64-S92 WeakPolarHBondContact CA-O 3.45Å; V64-L122 HydrophobicContact CG1-CB 3.84Å; V64-L122 HydrophobicContact CG1-CD1 4.24Å; V64-L122 HydrophobicContact CG2-CB 4.37Å; V64-V123 HydrophobicContact CB-CG2 4.31Å; V64-V123 HydrophobicContact CG1-CG2 4.31Å; V64-V123 HydrophobicContact CG2-CG2 4.14Å; V64-E126 HydrophobicContact CG2-CB 4.07Å; V64-E126 HydrophobicContact CG2-CG 4.45Å
65L98.6Very high90.8Very high1 Ų146 Ų461%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-99.2124-179.9-74.872.7000109.7Q7 N13 A63 I73 T76 Y88 S92 H93 F94Q7-L65 HydrophobicContact CB-CG 4.42Å; N13-L65 WeakPolarHBondContact OD1-CB 3.36Å; N13-L65 WeakPolarHBondContact OD1-CG 3.18Å; A63-L65 HydrophobicContact CB-CD1 4.19Å; L65-I73 HydrophobicContact CB-CD1 4.28Å; L65-I73 HydrophobicContact CD2-CG2 4.46Å; L65-T76 HydrophobicContact CD2-CG2 3.94Å; L65-Y88 HydrophobicContact CD1-CD1 3.55Å; L65-Y88 HydrophobicContact CD1-CE1 3.61Å; L65-Y88 HydrophobicContact CD1-CG 4.08Å; L65-Y88 HydrophobicContact CD2-CD2 4.46Å; L65-Y88 HydrophobicContact CD2-CE2 4.29Å; L65-S92 PolarHBondContact N-O 3.37Å; L65-H93 HydrophobicContact CB-CB 3.91Å; L65-H93 CarbonylContact O-C 3.53Å; L65-H93 WeakPolarHBondContact O-CA 3.42Å; L65-F94 PolarHBondContact O-N 3.36Å
66V98Very high92.5Very high0 Ų035.6 Ų35.60%021%0.214CC..EExtended strand (participates in β ladder)trans-127.3122.9-178.9-178.50000108.7Q7 L8 G9 N13 V64 M68 F94 I119 L150Q7-V66 PolarHBondContact O-N 3.46Å; L8-V66 HydrophobicContact CD2-CB 3.93Å; L8-V66 HydrophobicContact CD2-CG1 4.18Å; L8-V66 HydrophobicContact CD2-CG2 4.4Å; G9-V66 PolarHBondContact N-O 3.28Å; N13-V66 PolarHBondContact ND2-O 3.37Å; V64-V66 HydrophobicContact CG1-CG2 4.02Å; V66-M68 HydrophobicContact CG1-CE 4.21Å; V66-F94 HydrophobicContact CG1-CD1 4.22Å; V66-I119 HydrophobicContact CG1-CD1 3.82Å; V66-I119 HydrophobicContact CG1-CG1 4.22Å; V66-I119 HydrophobicContact CG2-CG1 4.42Å; V66-I119 HydrophobicContact CG2-CG2 3.99Å; V66-L150 HydrophobicContact CG1-CD2 3.72Å
67D96.8Very high94.1Very high2 Ų233.1 Ų33.11%0.01119%0.189CC..  trans-146.4155.4171.2-152.1-27.6000109.1G9 Q10 E69 I73 F94 C95G9-D67 VanDerWaalsContact C-OD2 3.29Å; Q10-D67 WeakPolarHBondContact CA-OD2 3.47Å; Q10-D67 PolarHBondContact N-OD2 2.97Å; D67-E69 VanDerWaalsContact C-N 3.25Å; D67-I73 HydrophobicContact CB-CD1 3.72Å; D67-I73 HydrophobicContact CB-CG1 3.9Å; D67-F94 PolarHBondContact N-O 2.76Å; D67-F94 VanDerWaalsContact O-O 3.11Å; D67-C95 VanDerWaalsContact O-CA 3.23Å; D67-C95 WeakPolarHBondContact O-CA 3.33Å
68M94.6Very high94.8Very high0 Ų033.7 Ų33.70%018%0.182CC..SBendtrans-87.5-1.3174-67.1-55.394.500112.1V66 F94 Q96 Q98 H111 T146 L150V66-M68 HydrophobicContact CG1-CE 4.21Å; M68-F94 HydrophobicContact CE-CD1 3.75Å; M68-F94 HydrophobicContact CE-CE1 3.48Å; M68-F94 VanDerWaalsContact CE-CE1 3.48Å; M68-F94 HydrophobicContact SD-CE1 4.4Å; M68-Q96 CarbonylContact C-O 3.59Å; M68-Q96 CarbonylContact O-C 3.36Å; M68-Q96 HydrophobicContact SD-CB 4.23Å; M68-Q96 HydrophobicContact SD-CG 4.09Å; M68-Q98 WeakPolarHBondContact CB-O 3.22Å; M68-Q98 CarbonylContact O-C 3.46Å; M68-Q98 PolarHBondContact O-N 3.12Å; M68-H111 HydrophobicContact SD-CB 4.02Å; M68-T146 HydrophobicContact CB-CG2 4.27Å; M68-T146 HydrophobicContact CG-CG2 3.79Å; M68-L150 HydrophobicContact CE-CD2 3.28Å; M68-L150 HydrophobicContact CG-CD2 4.39Å; M68-L150 HydrophobicContact SD-CD2 4.13Å
69E92.3Very high95Very high98 Ų9834.1 Ų34.146%0.45818%0.182SC..SBendtrans-131.2139179.1-64-178.883.800111.3D67 K71D67-E69 VanDerWaalsContact C-N 3.25Å; E69-K71 PolarHBondContact O-N 3.46Å
70P93.2Very high95Very high56 Ų5633 Ų3336%0.36418%0.176SC..Hα-helixtrans-80.7-22.1-169.932-34.1000113.3V72 I73 S74 C95 Q96P70-V72 PolarHBondContact O-N 2.9Å; P70-I73 PolarHBondContact O-N 3.25Å; P70-S74 WeakPolarHBondContact O-CB 3.48Å; P70-S74 PolarHBondContact O-N 3.25Å; P70-S74 PolarHBondContact O-OG 3.11Å; P70-S74 VanDerWaalsContact O-OG 3.14Å; P70-C95 HydrophobicContact CB-CB 4.14Å; P70-Q96 WeakPolarHBondContact CD-O 3.36Å
71K93.9Very high94.7Very high159 Ų15935.9 Ų35.969%0.69120%0.199SC*.Hα-helixtrans-56.5-48.9-168.2-179.1-179.1176.1-176.90112.4E69 Q75E69-K71 PolarHBondContact O-N 3.46Å; K71-Q75 WeakPolarHBondContact O-CB 3.23Å; K71-Q75 PolarHBondContact O-N 3.01Å; K71-Q75 VanDerWaalsContact O-N 3.13Å
72V93.3Very high94.4Very high12 Ų1245.2 Ų45.27%0.07323%0.234CC..Hα-helixtrans-68.7-45.7-175.8-176.10000110.2Q10 N13 Q14 P70 Q75 T76Q10-V72 HydrophobicContact CB-CG2 4Å; Q10-V72 HydrophobicContact CG-CG1 4.39Å; Q10-V72 HydrophobicContact CG-CG2 3.69Å; N13-V72 HydrophobicContact CB-CG1 3.99Å; Q14-V72 HydrophobicContact CG-CG1 3.9Å; P70-V72 PolarHBondContact O-N 2.9Å; V72-Q75 PolarHBondContact O-N 3.06Å; V72-T76 WeakPolarHBondContact O-CB 3.5Å; V72-T76 PolarHBondContact O-N 3.03Å; V72-T76 PolarHBondContact O-OG1 3.31Å; V72-T76 VanDerWaalsContact O-OG1 3.13Å
73I94.7Very high93.8Very high1 Ų146.5 Ų46.51%0.00525%0.246CC..Hα-helixtrans-60.1-52.1178.9-63.3-170.8000110.5L65 D67 P70 Q75 T76 L77 H93 F94 C95L65-I73 HydrophobicContact CB-CD1 4.28Å; L65-I73 HydrophobicContact CD2-CG2 4.46Å; D67-I73 HydrophobicContact CB-CD1 3.72Å; D67-I73 HydrophobicContact CB-CG1 3.9Å; P70-I73 PolarHBondContact O-N 3.25Å; I73-Q75 VanDerWaalsContact C-N 3.27Å; I73-Q75 PolarHBondContact O-N 3.34Å; I73-T76 PolarHBondContact O-N 3.32Å; I73-T76 VanDerWaalsContact O-N 3.13Å; I73-L77 HydrophobicContact CG2-CD1 3.77Å; I73-L77 HydrophobicContact CG2-CG 4.1Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.05Å; I73-L77 PolarHBondContact O-N 3.36Å; I73-H93 HydrophobicContact CG2-CB 3.94Å; I73-F94 WeakPolarHBondContact CD1-O 3.26Å; I73-C95 HydrophobicContact CD1-CB 4.15Å
74S94.4Very high93.3Very high70 Ų7048.8 Ų48.849%0.4927%0.269SS..Hα-helixtrans-58-40.5179.8-61.80000112.3P70 S78P70-S74 WeakPolarHBondContact O-CB 3.48Å; P70-S74 PolarHBondContact O-N 3.25Å; P70-S74 PolarHBondContact O-OG 3.11Å; P70-S74 VanDerWaalsContact O-OG 3.14Å; S74-S78 VanDerWaalsContact O-CB 3.3Å; S74-S78 WeakPolarHBondContact O-CB 3.39Å; S74-S78 PolarHBondContact O-N 2.94Å; S74-S78 VanDerWaalsContact O-N 3.1Å
75Q94.4Very high92.8Very high109 Ų10955.6 Ų55.651%0.50930%0.296SS..Hα-helixtrans-65.4-47176.4-179.2175-7.800111.5K71 V72 I73 S78 I79K71-Q75 WeakPolarHBondContact O-CB 3.23Å; K71-Q75 PolarHBondContact O-N 3.01Å; K71-Q75 VanDerWaalsContact O-N 3.13Å; V72-Q75 PolarHBondContact O-N 3.06Å; I73-Q75 VanDerWaalsContact C-N 3.27Å; I73-Q75 PolarHBondContact O-N 3.34Å; Q75-S78 PolarHBondContact O-N 3.5Å; Q75-I79 HydrophobicContact CG-CD1 3.62Å; Q75-I79 HydrophobicContact CG-CG1 4.38Å; Q75-I79 WeakPolarHBondContact O-CB 3.3Å; Q75-I79 WeakPolarHBondContact O-CG1 3.33Å; Q75-I79 PolarHBondContact O-N 3.49Å
76T93.9Very high92.6Very high7 Ų755.5 Ų55.54%0.04330%0.296CS..Hα-helixtrans-63.1-44.2179.8-69.90000112.4H17 L65 V72 I73 I79 A80 Y88H17-T76 HydrophobicContact CB-CG2 3.73Å; L65-T76 HydrophobicContact CD2-CG2 3.94Å; V72-T76 WeakPolarHBondContact O-CB 3.5Å; V72-T76 PolarHBondContact O-N 3.03Å; V72-T76 PolarHBondContact O-OG1 3.31Å; V72-T76 VanDerWaalsContact O-OG1 3.13Å; I73-T76 PolarHBondContact O-N 3.32Å; I73-T76 VanDerWaalsContact O-N 3.13Å; T76-I79 PolarHBondContact O-N 3.49Å; T76-A80 WeakPolarHBondContact O-CB 3.5Å; T76-A80 PolarHBondContact O-N 3.14Å; T76-Y88 HydrophobicContact CG2-CD2 4.24Å; T76-Y88 HydrophobicContact CG2-CE2 3.43Å; T76-Y88 VanDerWaalsContact CG2-CE2 3.43Å
77L94.1Very high92.4Very high30 Ų3057.8 Ų57.816%0.15731%0.305CS..Hα-helixtrans-59.6-47.8175.2-67.9176000111.1I73 A80 A81 Y88I73-L77 HydrophobicContact CG2-CD1 3.77Å; I73-L77 HydrophobicContact CG2-CG 4.1Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.05Å; I73-L77 PolarHBondContact O-N 3.36Å; L77-A80 PolarHBondContact O-N 2.94Å; L77-A81 WeakPolarHBondContact O-CB 3.12Å; L77-A81 PolarHBondContact O-N 3.37Å; L77-Y88 VanDerWaalsContact CD2-CB 3.44Å; L77-Y88 HydrophobicContact CD2-CD2 3.9Å; L77-Y88 HydrophobicContact CD2-CG 3.96Å
78S93.6Very high92.4Very high76 Ų7657.9 Ų57.953%0.53131%0.306SS..Hα-helixtrans-62.8-44.9179.9-176.40000112.5S74 Q75 R82S74-S78 VanDerWaalsContact O-CB 3.3Å; S74-S78 WeakPolarHBondContact O-CB 3.39Å; S74-S78 PolarHBondContact O-N 2.94Å; S74-S78 VanDerWaalsContact O-N 3.1Å; Q75-S78 PolarHBondContact O-N 3.5Å; S78-R82 VanDerWaalsContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CB 3.31Å; S78-R82 PolarHBondContact O-N 2.79Å
79I92.3Very high92.3Very high55 Ų5559.1 Ų59.128%0.28231%0.312SS..Hα-helixtrans-66-44.6-179.7-67.1168.6000110.8H17 Q75 T76 R82 S83H17-I79 VanDerWaalsContact NE2-CG2 3.34Å; H17-I79 WeakPolarHBondContact NE2-CG2 3.46Å; Q75-I79 HydrophobicContact CG-CD1 3.62Å; Q75-I79 HydrophobicContact CG-CG1 4.38Å; Q75-I79 WeakPolarHBondContact O-CB 3.3Å; Q75-I79 WeakPolarHBondContact O-CG1 3.33Å; Q75-I79 PolarHBondContact O-N 3.49Å; T76-I79 PolarHBondContact O-N 3.49Å; I79-R82 PolarHBondContact O-N 3.13Å; I79-S83 PolarHBondContact O-N 2.94Å
80A91.9Very high92.2Very high0 Ų060.1 Ų60.10%032%0.321CS..Hα-helixtrans-58.6-54178.100000111.1T76 L77 R82 S83 W86 Y88T76-A80 WeakPolarHBondContact O-CB 3.5Å; T76-A80 PolarHBondContact O-N 3.14Å; L77-A80 PolarHBondContact O-N 2.94Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 3.39Å; A80-S83 WeakPolarHBondContact O-CB 3.44Å; A80-S83 PolarHBondContact O-N 3.24Å; A80-S83 VanDerWaalsContact O-N 3.14Å; A80-S83 PolarHBondContact O-OG 2.95Å; A80-W86 CarbonylContact C-O 3.57Å; A80-W86 HydrophobicContact CB-CE3 4.31Å; A80-W86 HydrophobicContact CB-CH2 3.73Å; A80-W86 HydrophobicContact CB-CZ2 4.02Å; A80-W86 HydrophobicContact CB-CZ3 3.87Å; A80-Y88 HydrophobicContact CB-CD2 3.79Å; A80-Y88 HydrophobicContact CB-CE2 3.95Å
81A90.1Very high92.1Very high60 Ų6067.4 Ų67.450%0.49634%0.341SS..Hα-helixtrans-61.5-36.7-178.800000113.1L77 S83 G84L77-A81 WeakPolarHBondContact O-CB 3.12Å; L77-A81 PolarHBondContact O-N 3.37Å; A81-S83 PolarHBondContact O-N 2.74Å; A81-G84 PolarHBondContact O-N 2.87Å
82R90Very high92.1Very high197 Ų19760.2 Ų60.274%0.74331%0.31SS*.Hα-helixtrans-63.9-25.5179.1-175.1173.663176.4-1113.3S78 I79 A80 G84S78-R82 VanDerWaalsContact O-CB 3.27Å; S78-R82 WeakPolarHBondContact O-CB 3.31Å; S78-R82 PolarHBondContact O-N 2.79Å; I79-R82 PolarHBondContact O-N 3.13Å; A80-R82 VanDerWaalsContact C-N 3.31Å; A80-R82 PolarHBondContact O-N 3.39Å; R82-G84 VanDerWaalsContact C-N 3.27Å; R82-G84 PolarHBondContact O-N 3.28Å
83S83.8Confident92.2Very high44 Ų4462.5 Ų62.531%0.30832%0.32SS..Hα-helixtrans-66.9-28.8178.976.80000113I79 A80 A81 Y85I79-S83 PolarHBondContact O-N 2.94Å; A80-S83 WeakPolarHBondContact O-CB 3.44Å; A80-S83 PolarHBondContact O-N 3.24Å; A80-S83 VanDerWaalsContact O-N 3.14Å; A80-S83 PolarHBondContact O-OG 2.95Å; A81-S83 PolarHBondContact O-N 2.74Å; S83-Y85 WeakPolarHBondContact O-CD2 3.39Å; S83-Y85 PolarHBondContact O-N 3.26Å; S83-Y85 PolarHBondContact OG-N 2.91Å
84G86.6Confident92.3Very high47 Ų4763.3 Ų63.349%0.48532%0.324SS..SBendtrans73-9.8-174.900000115.3A81 R82A81-G84 PolarHBondContact O-N 2.87Å; R82-G84 VanDerWaalsContact C-N 3.27Å; R82-G84 PolarHBondContact O-N 3.28Å
85Y88.4Confident92.3Very high143 Ų14362.1 Ų62.156%0.56132%0.315SS*.SBendtrans-85.6-30.8-177.3-65.5-66.2000113.6P59 S83P59-Y85 WeakPolarHBondContact CD-O 3.48Å; S83-Y85 WeakPolarHBondContact O-CD2 3.39Å; S83-Y85 PolarHBondContact O-N 3.26Å; S83-Y85 PolarHBondContact OG-N 2.91Å
86W93.7Very high92.2Very high0 Ų060.2 Ų60.20%031%0.306CS..  trans-161164.3176.865.6-81.9000109.5H17 F20 N21 C24 F51 P59 A61 A80 Y88H17-W86 AromaticContact CE1-CZ2 3.77Å; H17-W86 AromaticContact ND1-CH2 3.54Å; H17-W86 AromaticContact ND1-CZ2 3.48Å; H17-W86 WeakPolarHBondContact ND1-CZ2 3.11Å; H17-W86 WeakPolarHBondContact O-CZ2 3.47Å; F20-W86 HydrophobicContact CB-CD2 4.24Å; F20-W86 HydrophobicContact CB-CE3 4.13Å; F20-W86 HydrophobicContact CB-CH2 3.43Å; F20-W86 VanDerWaalsContact CB-CH2 3.43Å; F20-W86 HydrophobicContact CB-CZ2 3.57Å; F20-W86 HydrophobicContact CB-CZ3 3.74Å; F20-W86 HydrophobicContact CG-CH2 4.26Å; F20-W86 HydrophobicContact CG-CZ3 4.2Å; N21-W86 HydrophobicContact CB-CZ2 4.31Å; C24-W86 HydrophobicContact CB-CG 4.18Å; F51-W86 HydrophobicContact CE1-CB 3.92Å; F51-W86 HydrophobicContact CE1-CG 4.32Å; P59-W86 WeakPolarHBondContact O-CA 3.42Å; A61-W86 HydrophobicContact CB-CE3 3.94Å; A61-W86 HydrophobicContact CB-CZ3 3.93Å; A80-W86 CarbonylContact C-O 3.57Å; A80-W86 HydrophobicContact CB-CE3 4.31Å; A80-W86 HydrophobicContact CB-CH2 3.73Å; A80-W86 HydrophobicContact CB-CZ2 4.02Å; A80-W86 HydrophobicContact CB-CZ3 3.87Å; W86-Y88 HydrophobicContact CH2-CD2 4.15Å; W86-Y88 HydrophobicContact CH2-CE1 4.17Å; W86-Y88 AromaticContact CH2-CE2 3.45Å; W86-Y88 HydrophobicContact CH2-CE2 3.45Å; W86-Y88 VanDerWaalsContact CH2-CE2 3.45Å; W86-Y88 AromaticContact CH2-CZ 3.49Å; W86-Y88 VanDerWaalsContact CH2-CZ 3.49Å; W86-Y88 HydrophobicContact CZ3-CD1 4.03Å; W86-Y88 AromaticContact CZ3-CD2 3.78Å; W86-Y88 HydrophobicContact CZ3-CD2 3.78Å; W86-Y88 AromaticContact CZ3-CE1 3.74Å; W86-Y88 HydrophobicContact CZ3-CE1 3.74Å; W86-Y88 AromaticContact CZ3-CE2 3.5Å; W86-Y88 HydrophobicContact CZ3-CE2 3.5Å; W86-Y88 VanDerWaalsContact CZ3-CE2 3.5Å; W86-Y88 HydrophobicContact CZ3-CG 4.07Å; W86-Y88 AromaticContact CZ3-CZ 3.51Å
87K95.2Very high91.9Very high47 Ų4769.7 Ų69.720%0.20435%0.347CS..BIsolated β-bridgetrans-142.2166.917465.1173.5-175.5169.50111.8E54 V58 P59 V60 A61E54-K87 WeakPolarHBondContact OE2-CE 3.35Å; E54-K87 IonicContact OE2-NZ 3.15Å; E54-K87 PolarHBondContact OE2-NZ 2.75Å; V58-K87 HydrophobicContact CG1-CG 4.24Å; P59-K87 PolarHBondContact O-N 3.38Å; V60-K87 CarbonylContact C-O 3.52Å; V60-K87 WeakPolarHBondContact CA-O 3.31Å; V60-K87 HydrophobicContact CG2-CD 4.46Å; V60-K87 VanDerWaalsContact CG2-CE 3.47Å; V60-K87 HydrophobicContact CG2-CG 4.09Å; A61-K87 PolarHBondContact N-O 3.02Å
88Y95.6Very high91.5Very high5 Ų575 Ų752%0.0237%0.371CS..  trans-86160.1163.1-69.4-69.9000110.5Q7 H17 F20 A61 A63 L65 T76 L77 A80 W86Q7-Y88 PolarHBondContact NE2-OH 3.35Å; Q7-Y88 PolarHBondContact OE1-OH 3.22Å; H17-Y88 VanDerWaalsContact CA-OH 3.26Å; H17-Y88 WeakPolarHBondContact CA-OH 3.35Å; H17-Y88 PolarHBondContact N-OH 2.7Å; F20-Y88 HydrophobicContact CD2-CE1 4.14Å; F20-Y88 HydrophobicContact CE2-CE1 4.36Å; A61-Y88 HydrophobicContact CB-CD1 3.89Å; A61-Y88 HydrophobicContact CB-CE1 4.04Å; A63-Y88 HydrophobicContact CB-CD1 3.99Å; A63-Y88 HydrophobicContact CB-CE1 3.76Å; L65-Y88 HydrophobicContact CD1-CD1 3.55Å; L65-Y88 HydrophobicContact CD1-CE1 3.61Å; L65-Y88 HydrophobicContact CD1-CG 4.08Å; L65-Y88 HydrophobicContact CD2-CD2 4.46Å; L65-Y88 HydrophobicContact CD2-CE2 4.29Å; T76-Y88 HydrophobicContact CG2-CD2 4.24Å; T76-Y88 HydrophobicContact CG2-CE2 3.43Å; T76-Y88 VanDerWaalsContact CG2-CE2 3.43Å; L77-Y88 VanDerWaalsContact CD2-CB 3.44Å; L77-Y88 HydrophobicContact CD2-CD2 3.9Å; L77-Y88 HydrophobicContact CD2-CG 3.96Å; A80-Y88 HydrophobicContact CB-CD2 3.79Å; A80-Y88 HydrophobicContact CB-CE2 3.95Å; W86-Y88 HydrophobicContact CH2-CD2 4.15Å; W86-Y88 HydrophobicContact CH2-CE1 4.17Å; W86-Y88 AromaticContact CH2-CE2 3.45Å; W86-Y88 HydrophobicContact CH2-CE2 3.45Å; W86-Y88 VanDerWaalsContact CH2-CE2 3.45Å; W86-Y88 AromaticContact CH2-CZ 3.49Å; W86-Y88 VanDerWaalsContact CH2-CZ 3.49Å; W86-Y88 HydrophobicContact CZ3-CD1 4.03Å; W86-Y88 AromaticContact CZ3-CD2 3.78Å; W86-Y88 HydrophobicContact CZ3-CD2 3.78Å; W86-Y88 AromaticContact CZ3-CE1 3.74Å; W86-Y88 HydrophobicContact CZ3-CE1 3.74Å; W86-Y88 AromaticContact CZ3-CE2 3.5Å; W86-Y88 HydrophobicContact CZ3-CE2 3.5Å; W86-Y88 VanDerWaalsContact CZ3-CE2 3.5Å; W86-Y88 HydrophobicContact CZ3-CG 4.07Å; W86-Y88 AromaticContact CZ3-CZ 3.51Å
89D93.5Very high91.1Very high25 Ų2572.3 Ų72.313%0.13436%0.355CS..  trans-72.6127.9167.7-174.4-24.5000109.1V60 R91 S92 K129V60-D89 HydrophobicContact CG1-CB 3.85Å; D89-R91 PolarHBondContact O-N 2.78Å; D89-R91 PolarHBondContact OD1-N 3Å; D89-S92 PolarHBondContact O-N 2.73Å; D89-S92 VanDerWaalsContact O-N 3.11Å; D89-K129 IonicContact OD2-NZ 2.68Å; D89-K129 PolarHBondContact OD2-NZ 3.31Å
90D89.3Confident90.8Very high119 Ų11969.9 Ų69.964%0.63634%0.343SS*.THydrogen-bonded Turntrans-58.9-18179.2-65.3-38.3000112.7H93D90-H93 PolarHBondContact O-CE1 3.14Å; D90-H93 PolarHBondContact O-ND1 2.83Å; D90-H93 VanDerWaalsContact O-ND1 3.15Å
91R91.6Very high90.7Very high210 Ų21073.2 Ų73.279%0.79238%0.377SS*.THydrogen-bonded Turntrans-103.9-10.1-179.4-60-179.6-179.2-176.30.4114.1D89 H93 L122D89-R91 PolarHBondContact O-N 2.78Å; D89-R91 PolarHBondContact OD1-N 3Å; R91-H93 VanDerWaalsContact C-N 3.28Å; R91-H93 PolarHBondContact O-N 2.8Å; R91-L122 VanDerWaalsContact O-CD2 3.23Å; R91-L122 WeakPolarHBondContact O-CD2 3.17Å
92S93.4Very high90.8Very high7 Ų774 Ų745%0.04937%0.373CS..SBendtrans-93.144.6-175.7-61.80000112.4A63 V64 L65 D89 E126A63-S92 WeakPolarHBondContact O-CB 3.49Å; V64-S92 WeakPolarHBondContact CA-O 3.45Å; L65-S92 PolarHBondContact N-O 3.37Å; D89-S92 PolarHBondContact O-N 2.73Å; D89-S92 VanDerWaalsContact O-N 3.11Å; S92-E126 PolarHBondContact OG-OE2 3.25Å
93H96.1Very high91Very high60 Ų6065.2 Ų65.228%0.27834%0.341SS..EExtended strand (participates in β ladder)trans-142.7153174.970.1-87.3000112.9L65 I73 D90 R91L65-H93 HydrophobicContact CB-CB 3.91Å; L65-H93 CarbonylContact O-C 3.53Å; L65-H93 WeakPolarHBondContact O-CA 3.42Å; I73-H93 HydrophobicContact CG2-CB 3.94Å; D90-H93 PolarHBondContact O-CE1 3.14Å; D90-H93 PolarHBondContact O-ND1 2.83Å; D90-H93 VanDerWaalsContact O-ND1 3.15Å; R91-H93 VanDerWaalsContact C-N 3.28Å; R91-H93 PolarHBondContact O-N 2.8Å
94F96.5Very high91.7Very high18 Ų1863.1 Ų63.18%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-131.8126.5175.7179.3-101.1000110.2L65 V66 D67 M68 I73 Q96 H115 V118 I119 L122L65-F94 PolarHBondContact O-N 3.36Å; V66-F94 HydrophobicContact CG1-CD1 4.22Å; D67-F94 PolarHBondContact N-O 2.76Å; D67-F94 VanDerWaalsContact O-O 3.11Å; M68-F94 HydrophobicContact CE-CD1 3.75Å; M68-F94 HydrophobicContact CE-CE1 3.48Å; M68-F94 VanDerWaalsContact CE-CE1 3.48Å; M68-F94 HydrophobicContact SD-CE1 4.4Å; I73-F94 WeakPolarHBondContact CD1-O 3.26Å; F94-Q96 HydrophobicContact CE1-CG 3.78Å; F94-Q96 HydrophobicContact CZ-CG 3.67Å; F94-H115 HydrophobicContact CE1-CB 3.9Å; F94-H115 AromaticContact CE1-CG 3.87Å; F94-H115 HydrophobicContact CZ-CB 3.73Å; F94-H115 AromaticContact CZ-CG 3.48Å; F94-H115 VanDerWaalsContact CZ-CG 3.48Å; F94-H115 AromaticContact CZ-ND1 3.54Å; F94-V118 HydrophobicContact CD2-CB 4.4Å; F94-V118 HydrophobicContact CD2-CG1 3.59Å; F94-V118 HydrophobicContact CE2-CB 4.23Å; F94-V118 HydrophobicContact CE2-CG1 3.77Å; F94-I119 HydrophobicContact CB-CG1 4.49Å; F94-I119 HydrophobicContact CD1-CD1 4.19Å; F94-I119 HydrophobicContact CD1-CG1 4Å; F94-I119 HydrophobicContact CE1-CD1 4.35Å; F94-I119 HydrophobicContact CE1-CG1 4.43Å; F94-I119 HydrophobicContact CG-CG1 4.21Å; F94-L122 HydrophobicContact CB-CD1 3.89Å
95C94.7Very high92.2Very high46 Ų4660.9 Ų60.931%0.31130%0.303SS..  trans-131151.2171.761.60000112.4D67 P70 I73D67-C95 VanDerWaalsContact O-CA 3.23Å; D67-C95 WeakPolarHBondContact O-CA 3.33Å; P70-C95 HydrophobicContact CB-CB 4.14Å; I73-C95 HydrophobicContact CD1-CB 4.15Å
96Q91.4Very high92.6Very high68 Ų6855 Ų5532%0.31828%0.281SS..  trans-117.9178.9167.4-72.2-62.9-38.300110.8M68 P70 F94M68-Q96 CarbonylContact C-O 3.59Å; M68-Q96 CarbonylContact O-C 3.36Å; M68-Q96 HydrophobicContact SD-CB 4.23Å; M68-Q96 HydrophobicContact SD-CG 4.09Å; P70-Q96 WeakPolarHBondContact CD-O 3.36Å; F94-Q96 HydrophobicContact CE1-CG 3.78Å; F94-Q96 HydrophobicContact CZ-CG 3.67Å
97K86.9Confident92.7Very high206 Ų20655 Ų5590%0.89628%0.281SS*.SBendtrans-95.5-11.9175-65.8-175.1-179.1179.60113.4
98Q86.8Confident92.8Very high143 Ų14354.4 Ų54.467%0.66828%0.278SS*.SBendtrans-126.8112.1-172.8-174.8175.512.700109.8M68 H111M68-Q98 WeakPolarHBondContact CB-O 3.22Å; M68-Q98 CarbonylContact O-C 3.46Å; M68-Q98 PolarHBondContact O-N 3.12Å; Q98-H111 PolarHBondContact O-CE1 3.26Å
99G85.3Confident92.9Very high19 Ų1956.1 Ų56.120%0.19629%0.291CS..  trans-69.6165.3176.900000113.9G101G99-G101 PolarHBondContact O-N 2.87Å
100S86.4Confident93Very high3 Ų357.6 Ų57.62%0.02130%0.301CS..  trans-78.6-0.2179.3-50.50000114.4N102 N103 H111 T146S100-N102 VanDerWaalsContact C-N 3.35Å; S100-N102 PolarHBondContact O-N 3.27Å; S100-N103 PolarHBondContact O-N 3.27Å; S100-N103 VanDerWaalsContact O-N 3.13Å; S100-H111 PolarHBondContact OG-CD2 3.04Å; S100-H111 VanDerWaalsContact OG-CD2 3.31Å; S100-T146 PolarHBondContact OG-OG1 3.39Å
101G88.6Confident93.3Very high71 Ų7152.5 Ų52.573%0.73227%0.273SS*.THydrogen-bonded Turntrans61.835.5172.200000114.7G99 N103G99-G101 PolarHBondContact O-N 2.87Å; G101-N103 PolarHBondContact O-N 3.22Å; G101-N103 VanDerWaalsContact O-N 3.16Å
102N92.3Very high93.5Very high77 Ų7742.5 Ų42.541%0.41224%0.235SC..THydrogen-bonded Turntrans57.421-174.3-62.1-32.4000115.5S100 V180 V182 N186S100-N102 VanDerWaalsContact C-N 3.35Å; S100-N102 PolarHBondContact O-N 3.27Å; N102-V180 HydrophobicContact CB-CG1 3.68Å; N102-V180 HydrophobicContact CB-CG2 4.37Å; N102-V182 VanDerWaalsContact O-CG2 3.3Å; N102-V182 WeakPolarHBondContact O-CG2 3.43Å; N102-N186 PolarHBondContact O-ND2 2.87Å
103N95.3Very high93.7Very high11 Ų1145.4 Ų45.46%0.05925%0.254CS..  trans-108.7115.9178.5-174.3-44.7000110.1S100 G101 A105 N106 G107 Q425S100-N103 PolarHBondContact O-N 3.27Å; S100-N103 VanDerWaalsContact O-N 3.13Å; G101-N103 PolarHBondContact O-N 3.22Å; G101-N103 VanDerWaalsContact O-N 3.16Å; N103-A105 WeakPolarHBondContact OD1-CA 3.38Å; N103-A105 WeakPolarHBondContact OD1-CB 3.44Å; N103-A105 PolarHBondContact OD1-N 2.88Å; N103-N106 HydrophobicContact CB-CB 4.16Å; N103-N106 PolarHBondContact O-N 3.18Å; N103-N106 PolarHBondContact OD1-N 3.31Å; N103-N106 VanDerWaalsContact OD1-N 3.12Å; N103-G107 PolarHBondContact O-N 3.38Å; N103-Q425 PolarHBondContact ND2-O 3.33Å
104W97.4Very high93.8Very high0 Ų049.8 Ų49.80%027%0.272CS..Hα-helixtrans-61-43178.7-177.3102.4000112.3N106 G107 Y108 G149 A152 N186 L189 T190 H193 Y426 I431W104-N106 VanDerWaalsContact C-N 3.33Å; W104-N106 PolarHBondContact O-N 3.06Å; W104-G107 CarbonylContact O-C 3.51Å; W104-G107 WeakPolarHBondContact O-CA 3.49Å; W104-G107 PolarHBondContact O-N 3.02Å; W104-Y108 HydrophobicContact CE3-CG 4.39Å; W104-Y108 AromaticContact CH2-CD1 3.61Å; W104-Y108 HydrophobicContact CH2-CD1 3.61Å; W104-Y108 AromaticContact CH2-CD2 3.48Å; W104-Y108 HydrophobicContact CH2-CD2 3.48Å; W104-Y108 VanDerWaalsContact CH2-CD2 3.48Å; W104-Y108 HydrophobicContact CH2-CE1 4.04Å; W104-Y108 AromaticContact CH2-CE2 3.95Å; W104-Y108 HydrophobicContact CH2-CE2 3.95Å; W104-Y108 AromaticContact CH2-CG 3.3Å; W104-Y108 HydrophobicContact CH2-CG 3.3Å; W104-Y108 HydrophobicContact CZ2-CD1 4.44Å; W104-Y108 AromaticContact CZ2-CD2 3.48Å; W104-Y108 HydrophobicContact CZ2-CD2 3.48Å; W104-Y108 VanDerWaalsContact CZ2-CD2 3.48Å; W104-Y108 HydrophobicContact CZ2-CE2 4.03Å; W104-Y108 AromaticContact CZ2-CG 3.72Å; W104-Y108 HydrophobicContact CZ2-CG 3.72Å; W104-Y108 AromaticContact CZ3-CD1 3.88Å; W104-Y108 HydrophobicContact CZ3-CD1 3.88Å; W104-Y108 HydrophobicContact CZ3-CD2 4.32Å; W104-Y108 AromaticContact CZ3-CG 3.7Å; W104-Y108 HydrophobicContact CZ3-CG 3.7Å; W104-Y108 WeakPolarHBondContact O-CB 3.41Å; W104-Y108 PolarHBondContact O-N 2.92Å; W104-G149 VanDerWaalsContact CD1-N 3.27Å; W104-A152 HydrophobicContact CZ2-CB 4.12Å; W104-N186 HydrophobicContact CB-CB 4.12Å; W104-N186 WeakPolarHBondContact CB-OD1 3.44Å; W104-N186 PolarHBondContact N-OD1 3.35Å; W104-L189 HydrophobicContact CB-CD1 4.46Å; W104-L189 HydrophobicContact CD2-CB 3.69Å; W104-L189 HydrophobicContact CD2-CD1 3.92Å; W104-L189 HydrophobicContact CD2-CG 4.43Å; W104-L189 HydrophobicContact CE3-CB 3.99Å; W104-L189 HydrophobicContact CE3-CD1 3.61Å; W104-L189 HydrophobicContact CE3-CG 4.32Å; W104-L189 HydrophobicContact CG-CB 4.13Å; W104-L189 HydrophobicContact CG-CD1 4.29Å; W104-L189 HydrophobicContact CH2-CB 4.27Å; W104-L189 HydrophobicContact CZ2-CB 3.98Å; W104-L189 HydrophobicContact CZ3-CB 4.26Å; W104-L189 HydrophobicContact CZ3-CD1 4.17Å; W104-T190 PolarHBondContact NE1-OG1 3.47Å; W104-H193 AromaticContact CH2-CE1 3.44Å; W104-H193 VanDerWaalsContact CH2-CE1 3.44Å; W104-H193 WeakPolarHBondContact CH2-CE1 3.48Å; W104-H193 AromaticContact CH2-ND1 3.77Å; W104-H193 AromaticContact CH2-NE2 3.72Å; W104-H193 AromaticContact CZ2-CE1 3.82Å; W104-H193 AromaticContact CZ2-CG 3.98Å; W104-H193 AromaticContact CZ2-ND1 3.63Å; W104-Y426 HydrophobicContact CB-CE1 4.07Å; W104-I431 HydrophobicContact CE3-CG1 4.4Å; W104-I431 HydrophobicContact CZ3-CD1 3.75Å; W104-I431 HydrophobicContact CZ3-CG1 4.02Å
105A97.3Very high93.8Very high0 Ų049.7 Ų49.70%027%0.272CS..Hα-helixtrans-62.5-38.9-178.900000112.2N103 Y108 S109 Y426 F429 I431N103-A105 WeakPolarHBondContact OD1-CA 3.38Å; N103-A105 WeakPolarHBondContact OD1-CB 3.44Å; N103-A105 PolarHBondContact OD1-N 2.88Å; A105-Y108 PolarHBondContact O-N 3Å; A105-S109 VanDerWaalsContact O-CB 3.29Å; A105-S109 WeakPolarHBondContact O-CB 3.2Å; A105-S109 PolarHBondContact O-N 3.19Å; A105-S109 PolarHBondContact O-OG 3.11Å; A105-Y426 HydrophobicContact CB-CD1 3.82Å; A105-Y426 HydrophobicContact CB-CG 4.33Å; A105-F429 HydrophobicContact CB-CB 3.79Å; A105-F429 HydrophobicContact CB-CD2 4.42Å; A105-I431 HydrophobicContact CB-CB 4.07Å; A105-I431 HydrophobicContact CB-CG1 3.43Å; A105-I431 VanDerWaalsContact CB-CG1 3.43Å
106N96.6Very high93.9Very high20 Ų2051.5 Ų51.511%0.10728%0.275CS..Iπ-helixtrans-65.6-39.9173.7-173.538.9000111.8N103 W104 V110 H111 F429N103-N106 HydrophobicContact CB-CB 4.16Å; N103-N106 PolarHBondContact O-N 3.18Å; N103-N106 PolarHBondContact OD1-N 3.31Å; N103-N106 VanDerWaalsContact OD1-N 3.12Å; W104-N106 VanDerWaalsContact C-N 3.33Å; W104-N106 PolarHBondContact O-N 3.06Å; N106-V110 WeakPolarHBondContact O-CB 3.49Å; N106-V110 PolarHBondContact O-N 3.31Å; N106-V110 WeakPolarHBondContact OD1-CB 3.43Å; N106-H111 PolarHBondContact ND2-NE2 2.78Å; N106-H111 PolarHBondContact O-CD2 2.84Å; N106-H111 VanDerWaalsContact O-CD2 3.28Å; N106-H111 PolarHBondContact O-N 2.86Å; N106-F429 HydrophobicContact CB-CD1 4.24Å; N106-F429 HydrophobicContact CB-CD2 3.85Å; N106-F429 HydrophobicContact CB-CE1 4.16Å; N106-F429 HydrophobicContact CB-CE2 3.8Å; N106-F429 HydrophobicContact CB-CG 4.07Å; N106-F429 HydrophobicContact CB-CZ 3.94Å
107G96.8Very high94.2Very high0 Ų053.9 Ų53.90%029%0.289CS..Iπ-helixtrans-61.8-49.1174.300000112.5N103 W104 G112N103-G107 PolarHBondContact O-N 3.38Å; W104-G107 CarbonylContact O-C 3.51Å; W104-G107 WeakPolarHBondContact O-CA 3.49Å; W104-G107 PolarHBondContact O-N 3.02Å; G107-G112 PolarHBondContact O-N 3.25Å
108Y97.7Very high94.7Very high35 Ų3547.5 Ų47.514%0.13727%0.267CS..Iπ-helixtrans-77.4-54.2-173.8-172.9-92.2000112.8W104 A105 P113 G149 A152 F153 Q156 H193W104-Y108 HydrophobicContact CE3-CG 4.39Å; W104-Y108 AromaticContact CH2-CD1 3.61Å; W104-Y108 HydrophobicContact CH2-CD1 3.61Å; W104-Y108 AromaticContact CH2-CD2 3.48Å; W104-Y108 HydrophobicContact CH2-CD2 3.48Å; W104-Y108 VanDerWaalsContact CH2-CD2 3.48Å; W104-Y108 HydrophobicContact CH2-CE1 4.04Å; W104-Y108 AromaticContact CH2-CE2 3.95Å; W104-Y108 HydrophobicContact CH2-CE2 3.95Å; W104-Y108 AromaticContact CH2-CG 3.3Å; W104-Y108 HydrophobicContact CH2-CG 3.3Å; W104-Y108 HydrophobicContact CZ2-CD1 4.44Å; W104-Y108 AromaticContact CZ2-CD2 3.48Å; W104-Y108 HydrophobicContact CZ2-CD2 3.48Å; W104-Y108 VanDerWaalsContact CZ2-CD2 3.48Å; W104-Y108 HydrophobicContact CZ2-CE2 4.03Å; W104-Y108 AromaticContact CZ2-CG 3.72Å; W104-Y108 HydrophobicContact CZ2-CG 3.72Å; W104-Y108 AromaticContact CZ3-CD1 3.88Å; W104-Y108 HydrophobicContact CZ3-CD1 3.88Å; W104-Y108 HydrophobicContact CZ3-CD2 4.32Å; W104-Y108 AromaticContact CZ3-CG 3.7Å; W104-Y108 HydrophobicContact CZ3-CG 3.7Å; W104-Y108 WeakPolarHBondContact O-CB 3.41Å; W104-Y108 PolarHBondContact O-N 2.92Å; A105-Y108 PolarHBondContact O-N 3Å; Y108-P113 WeakPolarHBondContact O-CD 3.46Å; Y108-G149 WeakPolarHBondContact CD2-O 3.37Å; Y108-A152 HydrophobicContact CD2-CB 4.18Å; Y108-A152 HydrophobicContact CE2-CB 4.37Å; Y108-F153 HydrophobicContact CD2-CB 3.63Å; Y108-F153 HydrophobicContact CD2-CD2 4.41Å; Y108-F153 HydrophobicContact CE2-CB 3.88Å; Y108-F153 HydrophobicContact CE2-CD2 4.24Å; Y108-F153 HydrophobicContact CG-CB 4.33Å; Y108-Q156 PolarHBondContact OH-OE1 2.88Å; Y108-H193 AromaticContact CE2-CD2 3.81Å; Y108-H193 AromaticContact CZ-CD2 3.7Å; Y108-H193 AromaticContact CZ-NE2 3.81Å; Y108-H193 PolarHBondContact OH-CD2 2.86Å
109S97.1Very high95.3Very high40 Ų4040.7 Ų40.728%0.2824%0.236SC..Iπ-helixtrans-88.2-19.9-169.9-51.90000114.1A105 F429A105-S109 VanDerWaalsContact O-CB 3.29Å; A105-S109 WeakPolarHBondContact O-CB 3.2Å; A105-S109 PolarHBondContact O-N 3.19Å; A105-S109 PolarHBondContact O-OG 3.11Å; S109-F429 WeakPolarHBondContact CB-O 3.29Å; S109-F429 PolarHBondContact OG-O 2.57Å
110V95.9Very high95.9Very high57 Ų5741 Ų4135%0.34523%0.232SC..Iπ-helixtrans-110.7-63-178.6-174.80000111.3N106 K114 F429N106-V110 WeakPolarHBondContact O-CB 3.49Å; N106-V110 PolarHBondContact O-N 3.31Å; N106-V110 WeakPolarHBondContact OD1-CB 3.43Å; V110-K114 WeakPolarHBondContact O-CB 2.93Å; V110-K114 PolarHBondContact O-N 2.94Å; V110-F429 HydrophobicContact CG2-CB 4.29Å; V110-F429 HydrophobicContact CG2-CD1 3.61Å; V110-F429 HydrophobicContact CG2-CE1 4.35Å; V110-F429 HydrophobicContact CG2-CG 4.31Å
111H95.6Very high96.5Very high12 Ų1244.8 Ų44.86%0.05625%0.252CS..Iπ-helixtrans-68.2-39.4-176.1-70.4-70.1000112.3M68 Q98 S100 N106 H115M68-H111 HydrophobicContact SD-CB 4.02Å; Q98-H111 PolarHBondContact O-CE1 3.26Å; S100-H111 PolarHBondContact OG-CD2 3.04Å; S100-H111 VanDerWaalsContact OG-CD2 3.31Å; N106-H111 PolarHBondContact ND2-NE2 2.78Å; N106-H111 PolarHBondContact O-CD2 2.84Å; N106-H111 VanDerWaalsContact O-CD2 3.28Å; N106-H111 PolarHBondContact O-N 2.86Å; H111-H115 WeakPolarHBondContact O-CB 3.29Å; H111-H115 PolarHBondContact O-CD2 3.32Å; H111-H115 VanDerWaalsContact O-CD2 3.31Å; H111-H115 PolarHBondContact O-N 2.85Å
112G95.9Very high96.9Very high0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-52.4-70.5176.600000112.6G107 K114 H115 K116 F153G107-G112 PolarHBondContact O-N 3.25Å; G112-K114 VanDerWaalsContact C-N 3.29Å; G112-K114 PolarHBondContact O-N 2.86Å; G112-H115 CarbonylContact O-C 3.47Å; G112-H115 PolarHBondContact O-N 3.39Å; G112-H115 VanDerWaalsContact O-N 3.15Å; G112-K116 WeakPolarHBondContact O-CA 3.28Å; G112-K116 PolarHBondContact O-N 3.21Å; G112-F153 VanDerWaalsContact CA-CD1 3.4Å; G112-F153 WeakPolarHBondContact O-CE1 3.12Å
113P97.3Very high97.2Very high68 Ų6838.8 Ų38.844%0.44220%0.203SC..Hα-helixtrans-55.4-41.5179.8-29.633.9000113.4Y108 H115 F153Y108-P113 WeakPolarHBondContact O-CD 3.46Å; P113-H115 VanDerWaalsContact C-N 3.26Å; P113-H115 PolarHBondContact O-N 3.01Å; P113-F153 HydrophobicContact CB-CZ 4.43Å; P113-F153 HydrophobicContact CG-CE2 3.79Å; P113-F153 HydrophobicContact CG-CZ 3.99Å
114K96.9Very high97.3Very high151 Ų15142.3 Ų42.366%0.65722%0.22SC*.Hα-helixtrans-63.5-31.3-178-174.6179.5179.1-178.50113.3V110 G112V110-K114 WeakPolarHBondContact O-CB 2.93Å; V110-K114 PolarHBondContact O-N 2.94Å; G112-K114 VanDerWaalsContact C-N 3.29Å; G112-K114 PolarHBondContact O-N 2.86Å
115H96.6Very high97.3Very high16 Ų1648.4 Ų48.47%0.07425%0.246CC..Hα-helixtrans-117.45.7-173.7-58.9-52.6000113.7F94 H111 G112 P113 D117 V118 I119F94-H115 HydrophobicContact CE1-CB 3.9Å; F94-H115 AromaticContact CE1-CG 3.87Å; F94-H115 HydrophobicContact CZ-CB 3.73Å; F94-H115 AromaticContact CZ-CG 3.48Å; F94-H115 VanDerWaalsContact CZ-CG 3.48Å; F94-H115 AromaticContact CZ-ND1 3.54Å; H111-H115 WeakPolarHBondContact O-CB 3.29Å; H111-H115 PolarHBondContact O-CD2 3.32Å; H111-H115 VanDerWaalsContact O-CD2 3.31Å; H111-H115 PolarHBondContact O-N 2.85Å; G112-H115 CarbonylContact O-C 3.47Å; G112-H115 PolarHBondContact O-N 3.39Å; G112-H115 VanDerWaalsContact O-N 3.15Å; P113-H115 VanDerWaalsContact C-N 3.26Å; P113-H115 PolarHBondContact O-N 3.01Å; H115-D117 PolarHBondContact O-N 3.32Å; H115-V118 PolarHBondContact O-N 2.99Å; H115-I119 HydrophobicContact CB-CD1 4.03Å; H115-I119 WeakPolarHBondContact O-CG1 3.4Å; H115-I119 PolarHBondContact O-N 2.92Å
116K97.6Very high97.3Very high85 Ų8548.4 Ų48.437%0.3725%0.246SC..Hα-helixtrans-46.7-57.8179.5-179.5178176.8169.70111.7G112 V118 I119 M120 F153G112-K116 WeakPolarHBondContact O-CA 3.28Å; G112-K116 PolarHBondContact O-N 3.21Å; K116-V118 VanDerWaalsContact C-N 3.3Å; K116-V118 PolarHBondContact O-N 3.28Å; K116-I119 PolarHBondContact O-N 3.22Å; K116-M120 HydrophobicContact CG-CG 4.19Å; K116-M120 WeakPolarHBondContact O-CB 3.3Å; K116-M120 VanDerWaalsContact O-CG 3.3Å; K116-M120 WeakPolarHBondContact O-CG 3.42Å; K116-M120 PolarHBondContact O-N 3.19Å; K116-F153 HydrophobicContact CB-CE1 3.9Å; K116-F153 HydrophobicContact CB-CZ 4.29Å; K116-F153 HydrophobicContact CD-CE1 4.22Å; K116-F153 HydrophobicContact CD-CZ 4.08Å; K116-F153 HydrophobicContact CG-CE1 4.05Å; K116-F153 HydrophobicContact CG-CZ 4.39Å
117D97.9Very high97.2Very high117 Ų11747.9 Ų47.963%0.62625%0.245SC*.Hα-helixtrans-62.5-39.9-172.6-60-30.8000111.7H115 N121H115-D117 PolarHBondContact O-N 3.32Å; D117-N121 WeakPolarHBondContact O-CB 3.36Å; D117-N121 PolarHBondContact O-N 2.81Å; D117-N121 PolarHBondContact O-ND2 2.97Å
118V97.8Very high97.2Very high72 Ų7254.2 Ų54.244%0.43627%0.274SS..Hα-helixtrans-67.1-47.8179.8-178.30000110.6F94 H115 K116 N121 L122F94-V118 HydrophobicContact CD2-CB 4.4Å; F94-V118 HydrophobicContact CD2-CG1 3.59Å; F94-V118 HydrophobicContact CE2-CB 4.23Å; F94-V118 HydrophobicContact CE2-CG1 3.77Å; H115-V118 PolarHBondContact O-N 2.99Å; K116-V118 VanDerWaalsContact C-N 3.3Å; K116-V118 PolarHBondContact O-N 3.28Å; V118-N121 PolarHBondContact O-N 3.39Å; V118-L122 WeakPolarHBondContact O-CG 3.04Å; V118-L122 PolarHBondContact O-N 3.48Å
119I98.1Very high96.9Very high1 Ų156.3 Ų56.31%0.00528%0.284CS..Hα-helixtrans-65.1-46.9-179.1-65.7165.8000110.6V66 F94 H115 K116 N121 L122 V123 L150 V154V66-I119 HydrophobicContact CG1-CD1 3.82Å; V66-I119 HydrophobicContact CG1-CG1 4.22Å; V66-I119 HydrophobicContact CG2-CG1 4.42Å; V66-I119 HydrophobicContact CG2-CG2 3.99Å; F94-I119 HydrophobicContact CB-CG1 4.49Å; F94-I119 HydrophobicContact CD1-CD1 4.19Å; F94-I119 HydrophobicContact CD1-CG1 4Å; F94-I119 HydrophobicContact CE1-CD1 4.35Å; F94-I119 HydrophobicContact CE1-CG1 4.43Å; F94-I119 HydrophobicContact CG-CG1 4.21Å; H115-I119 HydrophobicContact CB-CD1 4.03Å; H115-I119 WeakPolarHBondContact O-CG1 3.4Å; H115-I119 PolarHBondContact O-N 2.92Å; K116-I119 PolarHBondContact O-N 3.22Å; I119-N121 VanDerWaalsContact C-N 3.33Å; I119-N121 PolarHBondContact O-N 3.1Å; I119-L122 WeakPolarHBondContact O-CB 3.47Å; I119-L122 PolarHBondContact O-N 3.21Å; I119-L122 VanDerWaalsContact O-N 3.12Å; I119-V123 PolarHBondContact O-N 3Å; I119-L150 HydrophobicContact CD1-CD1 3.99Å; I119-L150 HydrophobicContact CD1-CD2 4.27Å; I119-V154 HydrophobicContact CD1-CG2 4.38Å; I119-V154 HydrophobicContact CG2-CG1 4.39Å; I119-V154 HydrophobicContact CG2-CG2 3.98Å
120M98.4Very high96.7Very high24 Ų2455.1 Ų55.112%0.11828%0.275CS..Hα-helixtrans-66.5-34.8-179.6-67.4-55.2-62.300112.2K116 L122 V123 Q124 C157 L158 A161 F162K116-M120 HydrophobicContact CG-CG 4.19Å; K116-M120 WeakPolarHBondContact O-CB 3.3Å; K116-M120 VanDerWaalsContact O-CG 3.3Å; K116-M120 WeakPolarHBondContact O-CG 3.42Å; K116-M120 PolarHBondContact O-N 3.19Å; M120-L122 VanDerWaalsContact C-N 3.31Å; M120-L122 PolarHBondContact O-N 2.85Å; M120-V123 PolarHBondContact O-N 2.84Å; M120-Q124 VanDerWaalsContact O-CB 3.26Å; M120-Q124 WeakPolarHBondContact O-CB 3.48Å; M120-Q124 PolarHBondContact O-N 3.28Å; M120-C157 HydrophobicContact CE-CB 4.15Å; M120-C157 HydrophobicContact CG-CB 4.11Å; M120-C157 HydrophobicContact SD-CB 3.58Å; M120-C157 VanDerWaalsContact SD-CB 3.58Å; M120-L158 HydrophobicContact CE-CD2 4.03Å; M120-L158 HydrophobicContact SD-CD2 4.28Å; M120-A161 HydrophobicContact CE-CB 3.77Å; M120-F162 HydrophobicContact CE-CE2 4.19Å
121N98.3Very high96.4Very high83 Ų8359.7 Ų59.744%0.44430%0.298SS..Hα-helixtrans-63.3-35.4172.3-80.4-41.3000112.5D117 V118 I119 K125D117-N121 WeakPolarHBondContact O-CB 3.36Å; D117-N121 PolarHBondContact O-N 2.81Å; D117-N121 PolarHBondContact O-ND2 2.97Å; V118-N121 PolarHBondContact O-N 3.39Å; I119-N121 VanDerWaalsContact C-N 3.33Å; I119-N121 PolarHBondContact O-N 3.1Å; N121-K125 WeakPolarHBondContact O-CB 3.5Å; N121-K125 VanDerWaalsContact O-CG 3.25Å; N121-K125 WeakPolarHBondContact O-CG 3.33Å; N121-K125 PolarHBondContact O-N 3.02Å; N121-K125 VanDerWaalsContact O-N 3.08Å
122L98.2Very high96.1Very high22 Ų2266.7 Ų66.712%0.11532%0.324CS..Hα-helixtrans-66.9-46.5174.5-67.3175.6000111.1V64 R91 F94 V118 I119 M120 K125 E126V64-L122 HydrophobicContact CG1-CB 3.84Å; V64-L122 HydrophobicContact CG1-CD1 4.24Å; V64-L122 HydrophobicContact CG2-CB 4.37Å; R91-L122 VanDerWaalsContact O-CD2 3.23Å; R91-L122 WeakPolarHBondContact O-CD2 3.17Å; F94-L122 HydrophobicContact CB-CD1 3.89Å; V118-L122 WeakPolarHBondContact O-CG 3.04Å; V118-L122 PolarHBondContact O-N 3.48Å; I119-L122 WeakPolarHBondContact O-CB 3.47Å; I119-L122 PolarHBondContact O-N 3.21Å; I119-L122 VanDerWaalsContact O-N 3.12Å; M120-L122 VanDerWaalsContact C-N 3.31Å; M120-L122 PolarHBondContact O-N 2.85Å; L122-K125 PolarHBondContact O-N 3.28Å; L122-E126 PolarHBondContact O-N 3.19Å; L122-E126 VanDerWaalsContact O-N 3.09Å
123V98.3Very high96Very high0 Ų068.9 Ų68.90%034%0.336CS..Hα-helixtrans-62.5-44.2177.7177.70000111.2V6 V64 I119 M120 K125 E126 A127 F136 L158 F162V6-V123 HydrophobicContact CG2-CG2 4.11Å; V64-V123 HydrophobicContact CB-CG2 4.31Å; V64-V123 HydrophobicContact CG1-CG2 4.31Å; V64-V123 HydrophobicContact CG2-CG2 4.14Å; I119-V123 PolarHBondContact O-N 3Å; M120-V123 PolarHBondContact O-N 2.84Å; V123-K125 PolarHBondContact O-N 3.48Å; V123-E126 PolarHBondContact O-N 2.81Å; V123-A127 WeakPolarHBondContact O-CB 3.36Å; V123-A127 PolarHBondContact O-N 3.29Å; V123-F136 HydrophobicContact CG1-CD1 4.06Å; V123-F136 HydrophobicContact CG1-CE1 3.37Å; V123-F136 HydrophobicContact CG1-CZ 4.07Å; V123-L158 HydrophobicContact CB-CD2 4.41Å; V123-L158 HydrophobicContact CG1-CD2 3.67Å; V123-L158 HydrophobicContact CG2-CD2 4.41Å; V123-F162 HydrophobicContact CG1-CE2 4.4Å
124Q97.7Very high95.8Very high86 Ų8666 Ų6640%0.40232%0.317SS..Hα-helixtrans-60.6-45.9178.7179.9169.13.100111.4M120 E126 A127 E128M120-Q124 VanDerWaalsContact O-CB 3.26Å; M120-Q124 WeakPolarHBondContact O-CB 3.48Å; M120-Q124 PolarHBondContact O-N 3.28Å; Q124-E126 VanDerWaalsContact C-N 3.28Å; Q124-E126 PolarHBondContact O-N 2.88Å; Q124-A127 PolarHBondContact O-N 3.03Å; Q124-E128 HydrophobicContact CG-CG 4.32Å; Q124-E128 VanDerWaalsContact CG-OE1 3.32Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.39Å; Q124-E128 PolarHBondContact NE2-OE1 3.3Å; Q124-E128 WeakPolarHBondContact O-CB 3.26Å; Q124-E128 VanDerWaalsContact O-CG 3.3Å; Q124-E128 WeakPolarHBondContact O-CG 3.33Å; Q124-E128 PolarHBondContact O-N 3.33Å
125K96.9Very high95.8Very high127 Ų12758.8 Ų58.855%0.55229%0.285SS*.Hα-helixtrans-58.9-39.9175.2-76172.1-177.2175.70112.4N121 L122 V123 K129N121-K125 WeakPolarHBondContact O-CB 3.5Å; N121-K125 VanDerWaalsContact O-CG 3.25Å; N121-K125 WeakPolarHBondContact O-CG 3.33Å; N121-K125 PolarHBondContact O-N 3.02Å; N121-K125 VanDerWaalsContact O-N 3.08Å; L122-K125 PolarHBondContact O-N 3.28Å; V123-K125 PolarHBondContact O-N 3.48Å; K125-K129 WeakPolarHBondContact O-CG 3.44Å; K125-K129 PolarHBondContact O-N 3.07Å
126E96.8Very high95.9Very high0 Ų058 Ų580%028%0.282CS..Hα-helixtrans-71.4-37.4178.7-161.558.3-140.400112V4 R62 V64 S92 L122 V123 Q124 K129 C130V4-E126 HydrophobicContact CG1-CB 4.13Å; V4-E126 HydrophobicContact CG1-CG 3.94Å; V4-E126 HydrophobicContact CG2-CG 4.22Å; R62-E126 WeakPolarHBondContact CA-OE1 3.36Å; V64-E126 HydrophobicContact CG2-CB 4.07Å; V64-E126 HydrophobicContact CG2-CG 4.45Å; S92-E126 PolarHBondContact OG-OE2 3.25Å; L122-E126 PolarHBondContact O-N 3.19Å; L122-E126 VanDerWaalsContact O-N 3.09Å; V123-E126 PolarHBondContact O-N 2.81Å; Q124-E126 VanDerWaalsContact C-N 3.28Å; Q124-E126 PolarHBondContact O-N 2.88Å; E126-K129 WeakPolarHBondContact O-CB 3.37Å; E126-K129 PolarHBondContact O-N 2.71Å; E126-K129 IonicContact OE1-NZ 3.89Å; E126-K129 IonicContact OE2-NZ 2.77Å; E126-K129 PolarHBondContact OE2-NZ 3.49Å; E126-C130 PolarHBondContact O-SG 3.01Å; E126-C130 VanDerWaalsContact O-SG 3.37Å
127A96.1Very high95.9Very high10 Ų1054 Ų548%0.08327%0.265CS..Hα-helixtrans-64.4-41173.200000112.1V123 Q124 K129 C130 L133 F162V123-A127 WeakPolarHBondContact O-CB 3.36Å; V123-A127 PolarHBondContact O-N 3.29Å; Q124-A127 PolarHBondContact O-N 3.03Å; A127-K129 PolarHBondContact O-N 3.16Å; A127-C130 WeakPolarHBondContact O-CB 3.44Å; A127-C130 PolarHBondContact O-N 3.13Å; A127-L133 HydrophobicContact CB-CD2 4.12Å; A127-F162 HydrophobicContact CB-CE1 4.27Å; A127-F162 HydrophobicContact CB-CZ 4.29Å
128E95.3Very high95.9Very high132 Ų13248.5 Ų48.562%0.61724%0.235SC*.Hα-helixtrans-66.9-21.9177.9-74.3172.2-178.100113.2Q124 C130Q124-E128 HydrophobicContact CG-CG 4.32Å; Q124-E128 VanDerWaalsContact CG-OE1 3.32Å; Q124-E128 WeakPolarHBondContact CG-OE1 3.39Å; Q124-E128 PolarHBondContact NE2-OE1 3.3Å; Q124-E128 WeakPolarHBondContact O-CB 3.26Å; Q124-E128 VanDerWaalsContact O-CG 3.3Å; Q124-E128 WeakPolarHBondContact O-CG 3.33Å; Q124-E128 PolarHBondContact O-N 3.33Å; E128-C130 PolarHBondContact O-N 3.01Å
129K93.2Very high95.9Very high80 Ų8045 Ų4535%0.34821%0.214SC..THydrogen-bonded Turntrans-74.7-7.4170-67.1171-173.3172.80113.3R62 D89 K125 E126 A127R62-K129 PolarHBondContact NH1-O 3.14Å; D89-K129 IonicContact OD2-NZ 2.68Å; D89-K129 PolarHBondContact OD2-NZ 3.31Å; K125-K129 WeakPolarHBondContact O-CG 3.44Å; K125-K129 PolarHBondContact O-N 3.07Å; E126-K129 WeakPolarHBondContact O-CB 3.37Å; E126-K129 PolarHBondContact O-N 2.71Å; E126-K129 IonicContact OE1-NZ 3.89Å; E126-K129 IonicContact OE2-NZ 2.77Å; E126-K129 PolarHBondContact OE2-NZ 3.49Å; A127-K129 PolarHBondContact O-N 3.16Å
130C92.3Very high95.9Very high14 Ų1445 Ų4510%0.09521%0.214CC..  trans-93.7124.4-179.3-59.20000109.6S2 R62 E126 A127 E128 R132 L133S2-C130 VanDerWaalsContact CB-SG 3.51Å; R62-C130 PolarHBondContact NH1-SG 3.47Å; E126-C130 PolarHBondContact O-SG 3.01Å; E126-C130 VanDerWaalsContact O-SG 3.37Å; A127-C130 WeakPolarHBondContact O-CB 3.44Å; A127-C130 PolarHBondContact O-N 3.13Å; E128-C130 PolarHBondContact O-N 3.01Å; C130-R132 PolarHBondContact O-N 2.87Å; C130-L133 HydrophobicContact CB-CB 4.47Å
131D89.8Confident95.8Very high153 Ų15344.5 Ų44.582%0.81821%0.212SC*.SBendtrans-60.7-36.2173.8-62-41.2000111.4
132R89.7Confident95.7Very high159 Ų15940.5 Ų40.560%0.619%0.191SC*.SBendtrans-146.1104.1175.7-64.4-176.2-177.4153.31.1110.6M1 S2 C130 S134M1-R132 CarbonylContact C-O 3.58Å; M1-R132 WeakPolarHBondContact CA-O 3.37Å; M1-R132 HydrophobicContact CB-CB 4.47Å; M1-R132 WeakPolarHBondContact CB-O 3.32Å; M1-R132 HydrophobicContact CG-CB 4.13Å; S2-R132 PolarHBondContact N-O 3.13Å; C130-R132 PolarHBondContact O-N 2.87Å; R132-S134 PolarHBondContact O-N 2.88Å
133L93.6Very high95.3Very high47 Ų4739.7 Ų39.725%0.24619%0.187CC..EExtended strand (participates in β ladder)trans-72.8123.1173.7-176.967.9000110.4V4 A127 C130 F136 F162V4-L133 HydrophobicContact CB-CD1 4.37Å; V4-L133 HydrophobicContact CG2-CD1 3.75Å; A127-L133 HydrophobicContact CB-CD2 4.12Å; C130-L133 HydrophobicContact CB-CB 4.47Å; L133-F136 HydrophobicContact CD2-CE1 4.43Å; L133-F136 HydrophobicContact CD2-CE2 4.11Å; L133-F136 HydrophobicContact CD2-CZ 3.78Å; L133-F162 HydrophobicContact CD2-CD1 4.37Å
134S92.8Very high94.9Very high6 Ų640.5 Ų40.54%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-81.7-42.5168.6-178.80000110.7S2 R132 F166 S254S2-S134 WeakPolarHBondContact O-CB 3.27Å; S2-S134 PolarHBondContact O-N 3.13Å; R132-S134 PolarHBondContact O-N 2.88Å; S134-F166 WeakPolarHBondContact O-CD2 3.42Å; S134-F166 PolarHBondContact O-N 3.27Å; S134-S254 PolarHBondContact OG-OG 2.71Å
135G96.2Very high94.6Very high0 Ų036.6 Ų36.60%018%0.179CC..EExtended strand (participates in β ladder)trans163.4-164.8-17900000113.3V4 F166V4-G135 PolarHBondContact N-O 3.32Å; V4-G135 VanDerWaalsContact N-O 3.14Å; G135-F166 CarbonylContact C-O 3.53Å; G135-F166 WeakPolarHBondContact CA-O 3.3Å
136F98.3Very high94.5Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-111135.4-177.6-57.9-79.3000111V4 V6 V123 L133 L158 F162 F166 I167 L168V4-F136 HydrophobicContact CB-CD1 3.87Å; V4-F136 HydrophobicContact CB-CE1 4.01Å; V4-F136 HydrophobicContact CG1-CD1 4.14Å; V4-F136 HydrophobicContact CG1-CE1 4.22Å; V4-F136 WeakPolarHBondContact O-CA 3.22Å; V6-F136 HydrophobicContact CG2-CD1 4.38Å; V123-F136 HydrophobicContact CG1-CD1 4.06Å; V123-F136 HydrophobicContact CG1-CE1 3.37Å; V123-F136 HydrophobicContact CG1-CZ 4.07Å; L133-F136 HydrophobicContact CD2-CE1 4.43Å; L133-F136 HydrophobicContact CD2-CE2 4.11Å; L133-F136 HydrophobicContact CD2-CZ 3.78Å; F136-L158 HydrophobicContact CB-CD1 4.21Å; F136-L158 HydrophobicContact CD1-CD2 4.16Å; F136-L158 HydrophobicContact CD2-CD2 4.4Å; F136-L158 HydrophobicContact CE1-CD2 4.16Å; F136-L158 HydrophobicContact CE2-CD2 4.39Å; F136-L158 HydrophobicContact CG-CD1 4.21Å; F136-L158 HydrophobicContact CG-CD2 4.28Å; F136-L158 HydrophobicContact CZ-CD2 4.26Å; F136-F162 HydrophobicContact CE2-CB 3.62Å; F136-F162 HydrophobicContact CE2-CD1 4.19Å; F136-F162 AromaticContact CE2-CD2 3.52Å; F136-F162 HydrophobicContact CE2-CD2 3.52Å; F136-F162 HydrophobicContact CE2-CE2 4.2Å; F136-F162 AromaticContact CE2-CG 3.52Å; F136-F162 HydrophobicContact CE2-CG 3.52Å; F136-F162 HydrophobicContact CZ-CB 4.28Å; F136-F162 HydrophobicContact CZ-CD1 4.02Å; F136-F162 AromaticContact CZ-CD2 3.44Å; F136-F162 HydrophobicContact CZ-CD2 3.44Å; F136-F162 VanDerWaalsContact CZ-CD2 3.44Å; F136-F162 HydrophobicContact CZ-CE1 4.18Å; F136-F162 AromaticContact CZ-CE2 3.63Å; F136-F162 HydrophobicContact CZ-CE2 3.63Å; F136-F162 AromaticContact CZ-CG 3.65Å; F136-F162 HydrophobicContact CZ-CG 3.65Å; F136-F162 HydrophobicContact CZ-CZ 4Å; F136-F166 PolarHBondContact N-O 2.99Å; F136-I167 HydrophobicContact CD2-CG1 4.35Å; F136-L168 PolarHBondContact O-N 3.31Å
137F98.1Very high94.3Very high2 Ų231.5 Ų31.51%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-111.3103.4169.2177.2-127.1000109.1V3 V4 T5 V6 I139 L168 H170 L235 F239V3-F137 HydrophobicContact CG1-CB 3.64Å; V4-F137 PolarHBondContact O-N 2.8Å; T5-F137 CarbonylContact C-O 3.55Å; T5-F137 WeakPolarHBondContact CA-O 3.26Å; T5-F137 HydrophobicContact CG2-CD1 3.95Å; T5-F137 WeakPolarHBondContact CG2-O 3.48Å; V6-F137 PolarHBondContact N-O 3.32Å; F137-I139 HydrophobicContact CD1-CD1 4.16Å; F137-I139 HydrophobicContact CD1-CG1 4.07Å; F137-I139 HydrophobicContact CE1-CD1 3.51Å; F137-I139 HydrophobicContact CE1-CG1 3.55Å; F137-I139 HydrophobicContact CE2-CG1 4.5Å; F137-I139 HydrophobicContact CZ-CD1 4.1Å; F137-I139 HydrophobicContact CZ-CG1 3.77Å; F137-L168 WeakPolarHBondContact CA-O 2.99Å; F137-L168 HydrophobicContact CD2-CB 4.25Å; F137-L168 HydrophobicContact CD2-CD2 3.91Å; F137-L168 HydrophobicContact CD2-CG 4.01Å; F137-L168 HydrophobicContact CE2-CD2 4.11Å; F137-L168 HydrophobicContact CE2-CG 4.27Å; F137-H170 HydrophobicContact CE2-CB 3.46Å; F137-H170 VanDerWaalsContact CE2-CB 3.46Å; F137-H170 HydrophobicContact CZ-CB 3.63Å; F137-L235 HydrophobicContact CZ-CD1 4.14Å; F137-L235 HydrophobicContact CZ-CD2 4.44Å; F137-F239 HydrophobicContact CD1-CE2 4.17Å; F137-F239 HydrophobicContact CD1-CZ 4.26Å; F137-F239 HydrophobicContact CD2-CE1 4.42Å; F137-F239 HydrophobicContact CD2-CE2 4.25Å; F137-F239 AromaticContact CD2-CZ 3.65Å; F137-F239 HydrophobicContact CD2-CZ 3.65Å; F137-F239 HydrophobicContact CE1-CD2 4.45Å; F137-F239 AromaticContact CE1-CE2 3.62Å; F137-F239 HydrophobicContact CE1-CE2 3.62Å; F137-F239 HydrophobicContact CE1-CZ 4.03Å; F137-F239 AromaticContact CE2-CE2 3.72Å; F137-F239 HydrophobicContact CE2-CE2 3.72Å; F137-F239 AromaticContact CE2-CZ 3.39Å; F137-F239 HydrophobicContact CE2-CZ 3.39Å; F137-F239 HydrophobicContact CG-CE2 4.47Å; F137-F239 HydrophobicContact CG-CZ 4.09Å; F137-F239 AromaticContact CZ-CE2 3.39Å; F137-F239 HydrophobicContact CZ-CE2 3.39Å; F137-F239 AromaticContact CZ-CZ 3.62Å; F137-F239 HydrophobicContact CZ-CZ 3.62Å
138T98.4Very high94.3Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-94139.3-179.343.50000110V6 L8 L158 L168 N169 H170V6-T138 HydrophobicContact CB-CG2 3.93Å; V6-T138 CarbonylContact O-C 3.59Å; V6-T138 VanDerWaalsContact O-CA 3.29Å; V6-T138 WeakPolarHBondContact O-CA 3.36Å; L8-T138 HydrophobicContact CD1-CG2 4.38Å; T138-L158 HydrophobicContact CG2-CD1 3.81Å; T138-L168 PolarHBondContact N-O 3.28Å; T138-L168 PolarHBondContact OG1-O 3.01Å; T138-N169 WeakPolarHBondContact CB-OD1 3.39Å; T138-N169 VanDerWaalsContact OG1-CA 3.27Å; T138-N169 WeakPolarHBondContact OG1-CA 3.38Å; T138-N169 PolarHBondContact OG1-ND2 3.37Å; T138-N169 PolarHBondContact OG1-OD1 3.44Å; T138-H170 PolarHBondContact O-N 3.35Å
139I98.6Very high94.4Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-125.3122.8179.3-51.6177.5000108.8T5 V6 L8 G12 I15 F137T5-I139 HydrophobicContact CG2-CD1 3.89Å; T5-I139 HydrophobicContact CG2-CG1 4.26Å; V6-I139 PolarHBondContact O-N 3.25Å; L8-I139 PolarHBondContact N-O 3.19Å; G12-I139 WeakPolarHBondContact CA-O 2.75Å; I15-I139 HydrophobicContact CB-CG2 4.06Å; I15-I139 HydrophobicContact CG2-CG2 3.9Å; F137-I139 HydrophobicContact CD1-CD1 4.16Å; F137-I139 HydrophobicContact CD1-CG1 4.07Å; F137-I139 HydrophobicContact CE1-CD1 3.51Å; F137-I139 HydrophobicContact CE1-CG1 3.55Å; F137-I139 HydrophobicContact CE2-CG1 4.5Å; F137-I139 HydrophobicContact CZ-CD1 4.1Å; F137-I139 HydrophobicContact CZ-CG1 3.77Å
140M97.9Very high94.6Very high0 Ų020.9 Ų20.90%011%0.11CC..EExtended strand (participates in β ladder)trans-154.1163.5-174.170.4-151.7-50.800113.6L8 G147 N169 H170 V171 I172 L194L8-M140 HydrophobicContact CB-CB 4.16Å; L8-M140 HydrophobicContact CD1-CE 4.22Å; M140-G147 WeakPolarHBondContact CB-O 3.41Å; M140-G147 WeakPolarHBondContact CE-O 3.49Å; M140-N169 PolarHBondContact SD-OD1 3.48Å; M140-N169 VanDerWaalsContact SD-OD1 3.39Å; M140-H170 PolarHBondContact N-O 3.19Å; M140-V171 HydrophobicContact CG-CG1 3.94Å; M140-V171 WeakPolarHBondContact O-CA 3.23Å; M140-V171 HydrophobicContact SD-CG1 4.1Å; M140-I172 PolarHBondContact O-N 3.42Å; M140-L194 HydrophobicContact CE-CD1 4.48Å; M140-L194 HydrophobicContact CE-CD2 4.42Å; M140-L194 HydrophobicContact SD-CD1 3.75Å; M140-L194 HydrophobicContact SD-CD2 4.19Å
141S96.5Very high94.9Very high13 Ų1320.2 Ų20.29%0.09111%0.105CC..EExtended strand (participates in β ladder)trans-105.8143.5168.1170.80000110.4A143 G147 S148S141-A143 PolarHBondContact OG-N 3.04Å; S141-G147 CarbonylContact O-C 3.5Å; S141-S148 WeakPolarHBondContact O-CA 3.19Å; S141-S148 WeakPolarHBondContact O-CB 3.41Å; S141-S148 PolarHBondContact O-N 2.88Å
142M95.1Very high95.3Very high0 Ų013 Ų130%07%0.066CC..SBendtrans-81.9-16.2176.6-55.8-162.4-60.800113.5S148 V171 I172 W173 N186 S187 T190 L191M142-S148 WeakPolarHBondContact O-CB 3.45Å; M142-V171 HydrophobicContact CG-CB 4.02Å; M142-V171 HydrophobicContact SD-CB 4.18Å; M142-V171 HydrophobicContact SD-CG2 4.25Å; M142-I172 PolarHBondContact N-O 3.26Å; M142-W173 HydrophobicContact CE-CB 3.97Å; M142-W173 HydrophobicContact CE-CD2 3.29Å; M142-W173 HydrophobicContact CE-CE3 3.12Å; M142-W173 HydrophobicContact CE-CG 3.68Å; M142-W173 HydrophobicContact CE-CH2 4.38Å; M142-W173 HydrophobicContact CE-CZ3 3.73Å; M142-W173 HydrophobicContact SD-CE3 4.38Å; M142-N186 CarbonylContact O-C 3.58Å; M142-N186 WeakPolarHBondContact O-CB 3.17Å; M142-S187 PolarHBondContact O-N 3.28Å; M142-S187 PolarHBondContact O-OG 2.95Å; M142-T190 HydrophobicContact CG-CG2 4.36Å; M142-L191 HydrophobicContact CE-CD1 4.22Å; M142-L191 HydrophobicContact CE-CD2 4.49Å; M142-L191 HydrophobicContact CE-CG 4.42Å; M142-L191 HydrophobicContact SD-CD1 3.96Å; M142-L191 HydrophobicContact SD-CD2 3.47Å; M142-L191 WeakPolarHBondContact SD-CD2 3.32Å; M142-L191 HydrophobicContact SD-CG 3.51Å; M142-L191 VanDerWaalsContact SD-CG 3.51Å
143A89.7Confident95.7Very high4 Ų46.5 Ų6.53%0.0334%0.042CC..SBendtrans-83.5-37.1-170.900000113.7S141 P174 Q183 N186S141-A143 PolarHBondContact OG-N 3.04Å; A143-P174 HydrophobicContact CB-CB 3.86Å; A143-Q183 HydrophobicContact CB-CB 4.25Å; A143-N186 PolarHBondContact O-ND2 2.93Å
144G89.9Confident96Very high18 Ų184.4 Ų4.419%0.1863%0.032CC..SBendtrans-72-169.7-173.600000113.2S148 N186G144-S148 WeakPolarHBondContact O-CB 3.25Å; G144-S148 PolarHBondContact O-OG 3.3Å; G144-N186 PolarHBondContact O-ND2 3.36Å; G144-N186 VanDerWaalsContact O-ND2 3.1Å
145G91.3Very high96.2Very high3 Ų34.1 Ų4.13%0.0313%0.03CC..SBendtrans-102.4-43.4169.800000112.5S148 G149G145-S148 PolarHBondContact O-OG 3.1Å; G145-G149 WeakPolarHBondContact O-CA 3.32Å; G145-G149 PolarHBondContact O-N 2.77Å
146T94.4Very high96.4Very high13 Ų137.7 Ų7.78%0.085%0.046CC..Iπ-helixtrans-70.1-55.5178.2-49.90000111.4M68 S100 S148 L150 G151M68-T146 HydrophobicContact CB-CG2 4.27Å; M68-T146 HydrophobicContact CG-CG2 3.79Å; S100-T146 PolarHBondContact OG-OG1 3.39Å; T146-S148 PolarHBondContact O-N 3.14Å; T146-L150 HydrophobicContact CG2-CD2 4.02Å; T146-L150 VanDerWaalsContact O-CB 3.31Å; T146-L150 WeakPolarHBondContact O-CB 3.37Å; T146-L150 PolarHBondContact O-N 3.13Å; T146-G151 PolarHBondContact O-N 3.38Å
147G94.3Very high96.4Very high7 Ų78 Ų87%0.0725%0.048CC..Iπ-helixtrans-60.3-37.7-177.500000112.3M140 S141 G151M140-G147 WeakPolarHBondContact CB-O 3.41Å; M140-G147 WeakPolarHBondContact CE-O 3.49Å; S141-G147 CarbonylContact O-C 3.5Å; G147-G151 WeakPolarHBondContact O-CA 3.49Å
148S95.9Very high96.4Very high0 Ų07.9 Ų7.90%05%0.048CC..Iπ-helixtrans-84.9-62.2-174.371.80000111.8S141 M142 G144 G145 T146 A152 T190S141-S148 WeakPolarHBondContact O-CA 3.19Å; S141-S148 WeakPolarHBondContact O-CB 3.41Å; S141-S148 PolarHBondContact O-N 2.88Å; M142-S148 WeakPolarHBondContact O-CB 3.45Å; G144-S148 WeakPolarHBondContact O-CB 3.25Å; G144-S148 PolarHBondContact O-OG 3.3Å; G145-S148 PolarHBondContact O-OG 3.1Å; T146-S148 PolarHBondContact O-N 3.14Å; S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.38Å; S148-A152 PolarHBondContact O-N 2.94Å; S148-T190 VanDerWaalsContact CB-OG1 3.24Å; S148-T190 WeakPolarHBondContact CB-OG1 3.34Å
149G97.4Very high96.4Very high0 Ų010.5 Ų10.50%06%0.058CC..Iπ-helixtrans-72.8-57.7-173.600000113.2W104 Y108 G145 G151 A152 F153W104-G149 VanDerWaalsContact CD1-N 3.27Å; Y108-G149 WeakPolarHBondContact CD2-O 3.37Å; G145-G149 WeakPolarHBondContact O-CA 3.32Å; G145-G149 PolarHBondContact O-N 2.77Å; G149-G151 PolarHBondContact O-N 2.75Å; G149-A152 PolarHBondContact O-N 3.12Å; G149-F153 PolarHBondContact O-N 3.02Å; G149-F153 VanDerWaalsContact O-N 3.11Å
150L97.5Very high96.3Very high0 Ų015.3 Ų15.30%08%0.084CC..Iπ-helixtrans-62-36.4175.717267000110.4V66 M68 I119 T146 F153 V154V66-L150 HydrophobicContact CG1-CD2 3.72Å; M68-L150 HydrophobicContact CE-CD2 3.28Å; M68-L150 HydrophobicContact CG-CD2 4.39Å; M68-L150 HydrophobicContact SD-CD2 4.13Å; I119-L150 HydrophobicContact CD1-CD1 3.99Å; I119-L150 HydrophobicContact CD1-CD2 4.27Å; T146-L150 HydrophobicContact CG2-CD2 4.02Å; T146-L150 VanDerWaalsContact O-CB 3.31Å; T146-L150 WeakPolarHBondContact O-CB 3.37Å; T146-L150 PolarHBondContact O-N 3.13Å; L150-F153 PolarHBondContact O-N 3.41Å; L150-V154 HydrophobicContact CD1-CG2 4.06Å; L150-V154 HydrophobicContact CG-CG2 4.27Å; L150-V154 WeakPolarHBondContact O-CB 3.38Å; L150-V154 VanDerWaalsContact O-CG2 3.27Å; L150-V154 WeakPolarHBondContact O-CG2 3.41Å; L150-V154 PolarHBondContact O-N 3.45Å
151G97.9Very high96.3Very high0 Ų018 Ų180%011%0.106CC..Hα-helixtrans-63.9-45.3176.800000114.3T146 G147 G149 F153 V154 T155T146-G151 PolarHBondContact O-N 3.38Å; G147-G151 WeakPolarHBondContact O-CA 3.49Å; G149-G151 PolarHBondContact O-N 2.75Å; G151-F153 VanDerWaalsContact C-N 3.3Å; G151-F153 PolarHBondContact O-N 3.24Å; G151-V154 PolarHBondContact O-N 2.89Å; G151-T155 PolarHBondContact O-N 3.43Å; G151-T155 PolarHBondContact O-OG1 2.98Å; G151-T155 VanDerWaalsContact O-OG1 3.11Å
152A98.3Very high96.4Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-59.7-42.1174.900000111.5W104 Y108 S148 G149 T155 Q156 H193W104-A152 HydrophobicContact CZ2-CB 4.12Å; Y108-A152 HydrophobicContact CD2-CB 4.18Å; Y108-A152 HydrophobicContact CE2-CB 4.37Å; S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.38Å; S148-A152 PolarHBondContact O-N 2.94Å; G149-A152 PolarHBondContact O-N 3.12Å; A152-T155 PolarHBondContact O-N 2.49Å; A152-Q156 PolarHBondContact O-N 3.37Å; A152-H193 HydrophobicContact CB-CB 4.07Å
153F98.6Very high96.4Very high23 Ų2323.8 Ų23.810%0.10114%0.139CC..Hα-helixtrans-62.2-45175.3-177.8-89.8000112.4Y108 G112 P113 K116 G149 L150 G151 Q156 C157Y108-F153 HydrophobicContact CD2-CB 3.63Å; Y108-F153 HydrophobicContact CD2-CD2 4.41Å; Y108-F153 HydrophobicContact CE2-CB 3.88Å; Y108-F153 HydrophobicContact CE2-CD2 4.24Å; Y108-F153 HydrophobicContact CG-CB 4.33Å; G112-F153 VanDerWaalsContact CA-CD1 3.4Å; G112-F153 WeakPolarHBondContact O-CE1 3.12Å; P113-F153 HydrophobicContact CB-CZ 4.43Å; P113-F153 HydrophobicContact CG-CE2 3.79Å; P113-F153 HydrophobicContact CG-CZ 3.99Å; K116-F153 HydrophobicContact CB-CE1 3.9Å; K116-F153 HydrophobicContact CB-CZ 4.29Å; K116-F153 HydrophobicContact CD-CE1 4.22Å; K116-F153 HydrophobicContact CD-CZ 4.08Å; K116-F153 HydrophobicContact CG-CE1 4.05Å; K116-F153 HydrophobicContact CG-CZ 4.39Å; G149-F153 PolarHBondContact O-N 3.02Å; G149-F153 VanDerWaalsContact O-N 3.11Å; L150-F153 PolarHBondContact O-N 3.41Å; G151-F153 VanDerWaalsContact C-N 3.3Å; G151-F153 PolarHBondContact O-N 3.24Å; F153-Q156 PolarHBondContact O-N 3.45Å; F153-C157 WeakPolarHBondContact CE1-SG 3.46Å; F153-C157 PolarHBondContact O-N 3.37Å; F153-C157 PolarHBondContact O-SG 2.7Å
154V98.5Very high96.6Very high3 Ų328.3 Ų28.32%0.01818%0.176CC..Hα-helixtrans-62.9-44.1177.2169.30000110.2V6 L8 I119 L150 G151 Q156 C157 L158V6-V154 HydrophobicContact CG1-CG1 4.3Å; L8-V154 HydrophobicContact CD2-CB 4.27Å; L8-V154 HydrophobicContact CD2-CG1 4.38Å; L8-V154 HydrophobicContact CD2-CG2 4.19Å; I119-V154 HydrophobicContact CD1-CG2 4.38Å; I119-V154 HydrophobicContact CG2-CG1 4.39Å; I119-V154 HydrophobicContact CG2-CG2 3.98Å; L150-V154 HydrophobicContact CD1-CG2 4.06Å; L150-V154 HydrophobicContact CG-CG2 4.27Å; L150-V154 WeakPolarHBondContact O-CB 3.38Å; L150-V154 VanDerWaalsContact O-CG2 3.27Å; L150-V154 WeakPolarHBondContact O-CG2 3.41Å; L150-V154 PolarHBondContact O-N 3.45Å; G151-V154 PolarHBondContact O-N 2.89Å; V154-Q156 VanDerWaalsContact C-N 3.32Å; V154-Q156 PolarHBondContact O-N 3.23Å; V154-C157 CarbonylContact O-C 3.4Å; V154-C157 WeakPolarHBondContact O-CB 3.46Å; V154-C157 PolarHBondContact O-N 3.42Å; V154-C157 VanDerWaalsContact O-N 3.1Å; V154-L158 HydrophobicContact CG1-CD1 4.24Å; V154-L158 HydrophobicContact CG1-CG 4.28Å; V154-L158 WeakPolarHBondContact O-CG 3.49Å; V154-L158 PolarHBondContact O-N 2.92Å
155T98.5Very high96.9Very high0 Ų028.3 Ų28.30%017%0.173CC..Hα-helixtrans-58.7-41.9176.5-61.80000112.1G151 A152 L158 R159 I167 N169 L194 S197G151-T155 PolarHBondContact O-N 3.43Å; G151-T155 PolarHBondContact O-OG1 2.98Å; G151-T155 VanDerWaalsContact O-OG1 3.11Å; A152-T155 PolarHBondContact O-N 2.49Å; T155-L158 WeakPolarHBondContact O-CB 3.3Å; T155-L158 PolarHBondContact O-N 3.36Å; T155-R159 PolarHBondContact O-N 3.18Å; T155-I167 HydrophobicContact CG2-CG2 4.01Å; T155-N169 VanDerWaalsContact CG2-ND2 3.26Å; T155-N169 WeakPolarHBondContact CG2-ND2 3.39Å; T155-N169 PolarHBondContact OG1-OD1 3.32Å; T155-L194 HydrophobicContact CG2-CD2 3.8Å; T155-S197 WeakPolarHBondContact CG2-OG 3.38Å
156Q98.4Very high97.1Very high75 Ų7531.6 Ų31.635%0.3519%0.187SC..Hα-helixtrans-61.1-46.3173.2-175.7-179100111.6Y108 A152 F153 V154 L158 R159 D160Y108-Q156 PolarHBondContact OH-OE1 2.88Å; A152-Q156 PolarHBondContact O-N 3.37Å; F153-Q156 PolarHBondContact O-N 3.45Å; V154-Q156 VanDerWaalsContact C-N 3.32Å; V154-Q156 PolarHBondContact O-N 3.23Å; Q156-L158 VanDerWaalsContact C-N 3.27Å; Q156-L158 PolarHBondContact O-N 3.2Å; Q156-R159 WeakPolarHBondContact O-CB 3.34Å; Q156-R159 PolarHBondContact O-N 3.12Å; Q156-R159 VanDerWaalsContact O-N 3.13Å; Q156-D160 PolarHBondContact O-N 3.35Å
157C98.5Very high97.3Very high7 Ų731 Ų315%0.04718%0.183CC..Hα-helixtrans-61.9-34.6176.9-66.30000112.8M120 F153 V154 D160 A161M120-C157 HydrophobicContact CE-CB 4.15Å; M120-C157 HydrophobicContact CG-CB 4.11Å; M120-C157 HydrophobicContact SD-CB 3.58Å; M120-C157 VanDerWaalsContact SD-CB 3.58Å; F153-C157 WeakPolarHBondContact CE1-SG 3.46Å; F153-C157 PolarHBondContact O-N 3.37Å; F153-C157 PolarHBondContact O-SG 2.7Å; V154-C157 CarbonylContact O-C 3.4Å; V154-C157 WeakPolarHBondContact O-CB 3.46Å; V154-C157 PolarHBondContact O-N 3.42Å; V154-C157 VanDerWaalsContact O-N 3.1Å; C157-D160 PolarHBondContact O-N 3.41Å; C157-A161 VanDerWaalsContact O-CB 3.27Å; C157-A161 WeakPolarHBondContact O-CB 3.27Å; C157-A161 PolarHBondContact O-N 3.35Å
158L98.5Very high97.5Very high0 Ų030.6 Ų30.60%018%0.179CC..Hα-helixtrans-64.6-44.3173.9-67.4174.3000111.1V6 M120 V123 F136 T138 V154 T155 Q156 D160 A161 F162 I167V6-L158 HydrophobicContact CG2-CD1 4.42Å; M120-L158 HydrophobicContact CE-CD2 4.03Å; M120-L158 HydrophobicContact SD-CD2 4.28Å; V123-L158 HydrophobicContact CB-CD2 4.41Å; V123-L158 HydrophobicContact CG1-CD2 3.67Å; V123-L158 HydrophobicContact CG2-CD2 4.41Å; F136-L158 HydrophobicContact CB-CD1 4.21Å; F136-L158 HydrophobicContact CD1-CD2 4.16Å; F136-L158 HydrophobicContact CD2-CD2 4.4Å; F136-L158 HydrophobicContact CE1-CD2 4.16Å; F136-L158 HydrophobicContact CE2-CD2 4.39Å; F136-L158 HydrophobicContact CG-CD1 4.21Å; F136-L158 HydrophobicContact CG-CD2 4.28Å; F136-L158 HydrophobicContact CZ-CD2 4.26Å; T138-L158 HydrophobicContact CG2-CD1 3.81Å; V154-L158 HydrophobicContact CG1-CD1 4.24Å; V154-L158 HydrophobicContact CG1-CG 4.28Å; V154-L158 WeakPolarHBondContact O-CG 3.49Å; V154-L158 PolarHBondContact O-N 2.92Å; T155-L158 WeakPolarHBondContact O-CB 3.3Å; T155-L158 PolarHBondContact O-N 3.36Å; Q156-L158 VanDerWaalsContact C-N 3.27Å; Q156-L158 PolarHBondContact O-N 3.2Å; L158-D160 VanDerWaalsContact C-N 3.34Å; L158-D160 PolarHBondContact O-N 2.8Å; L158-A161 PolarHBondContact O-N 2.83Å; L158-F162 HydrophobicContact CD2-CD2 4.43Å; L158-F162 HydrophobicContact CD2-CE2 4.49Å; L158-F162 WeakPolarHBondContact O-CA 3.22Å; L158-F162 WeakPolarHBondContact O-CB 3.35Å; L158-F162 PolarHBondContact O-N 3.46Å; L158-I167 HydrophobicContact CB-CD1 3.92Å
159R98Very high97.6Very high55 Ų5530.6 Ų30.621%0.20818%0.179CC..Hα-helixtrans-61.4-43176.1177.856.262.2-177.13.5111.6T155 Q156 P163 I167 S197 D199T155-R159 PolarHBondContact O-N 3.18Å; Q156-R159 WeakPolarHBondContact O-CB 3.34Å; Q156-R159 PolarHBondContact O-N 3.12Å; Q156-R159 VanDerWaalsContact O-N 3.13Å; R159-P163 PolarHBondContact NH1-O 2.9Å; R159-P163 WeakPolarHBondContact O-CA 3.4Å; R159-I167 HydrophobicContact CB-CD1 3.99Å; R159-S197 PolarHBondContact NE-O 3.43Å; R159-S197 PolarHBondContact NH2-O 2.79Å; R159-S197 VanDerWaalsContact NH2-O 3.13Å; R159-D199 IonicContact CZ-OD1 3.25Å; R159-D199 IonicContact CZ-OD2 3.84Å; R159-D199 IonicContact NH1-OD1 3.82Å; R159-D199 IonicContact NH1-OD2 2.95Å; R159-D199 IonicContact NH2-OD1 2.92Å; R159-D199 PolarHBondContact NH2-OD1 3.29Å; R159-D199 IonicContact NH2-OD2 3.58Å; R159-D199 PolarHBondContact NH2-OD2 3.4Å
160D97.9Very high97.7Very high101 Ų10130.6 Ų30.654%0.5418%0.179SC..Hα-helixtrans-66.6-43.7179.8-66.1-17.5000112.1Q156 C157 L158Q156-D160 PolarHBondContact O-N 3.35Å; C157-D160 PolarHBondContact O-N 3.41Å; L158-D160 VanDerWaalsContact C-N 3.34Å; L158-D160 PolarHBondContact O-N 2.8Å
161A98Very high97.7Very high57 Ų5730.6 Ų30.647%0.47118%0.179SC..Hα-helixtrans-79-30.3-177.200000113.2M120 C157 L158M120-A161 HydrophobicContact CE-CB 3.77Å; C157-A161 VanDerWaalsContact O-CB 3.27Å; C157-A161 WeakPolarHBondContact O-CB 3.27Å; C157-A161 PolarHBondContact O-N 3.35Å; L158-A161 PolarHBondContact O-N 2.83Å
162F97.6Very high97.7Very high42 Ų4230.6 Ų30.618%0.18418%0.179CC..  trans-13164.5-175.2-56.2-85000111.6M120 V123 A127 L133 F136 L158 A164 S165M120-F162 HydrophobicContact CE-CE2 4.19Å; V123-F162 HydrophobicContact CG1-CE2 4.4Å; A127-F162 HydrophobicContact CB-CE1 4.27Å; A127-F162 HydrophobicContact CB-CZ 4.29Å; L133-F162 HydrophobicContact CD2-CD1 4.37Å; F136-F162 HydrophobicContact CE2-CB 3.62Å; F136-F162 HydrophobicContact CE2-CD1 4.19Å; F136-F162 AromaticContact CE2-CD2 3.52Å; F136-F162 HydrophobicContact CE2-CD2 3.52Å; F136-F162 HydrophobicContact CE2-CE2 4.2Å; F136-F162 AromaticContact CE2-CG 3.52Å; F136-F162 HydrophobicContact CE2-CG 3.52Å; F136-F162 HydrophobicContact CZ-CB 4.28Å; F136-F162 HydrophobicContact CZ-CD1 4.02Å; F136-F162 AromaticContact CZ-CD2 3.44Å; F136-F162 HydrophobicContact CZ-CD2 3.44Å; F136-F162 VanDerWaalsContact CZ-CD2 3.44Å; F136-F162 HydrophobicContact CZ-CE1 4.18Å; F136-F162 AromaticContact CZ-CE2 3.63Å; F136-F162 HydrophobicContact CZ-CE2 3.63Å; F136-F162 AromaticContact CZ-CG 3.65Å; F136-F162 HydrophobicContact CZ-CG 3.65Å; F136-F162 HydrophobicContact CZ-CZ 4Å; L158-F162 HydrophobicContact CD2-CD2 4.43Å; L158-F162 HydrophobicContact CD2-CE2 4.49Å; L158-F162 WeakPolarHBondContact O-CA 3.22Å; L158-F162 WeakPolarHBondContact O-CB 3.35Å; L158-F162 PolarHBondContact O-N 3.46Å; F162-A164 VanDerWaalsContact C-N 3.25Å; F162-A164 PolarHBondContact O-N 3.02Å; F162-A164 VanDerWaalsContact O-N 3.17Å; F162-S165 WeakPolarHBondContact O-CB 2.99Å; F162-S165 PolarHBondContact O-N 2.77Å; F162-S165 VanDerWaalsContact O-N 3.08Å
163P96.1Very high97.6Very high92 Ų9231.3 Ų31.360%0.59718%0.182SC*.THydrogen-bonded Turntrans-63.1-28.7-170.823.9-35000114.1R159R159-P163 PolarHBondContact NH1-O 2.9Å; R159-P163 WeakPolarHBondContact O-CA 3.4Å
164A93.1Very high97.5Very high98 Ų9830.4 Ų30.481%0.8118%0.178SC*.THydrogen-bonded Turntrans-87.7-8.818000000114.1F162F162-A164 VanDerWaalsContact C-N 3.25Å; F162-A164 PolarHBondContact O-N 3.02Å; F162-A164 VanDerWaalsContact O-N 3.17Å
165S95.4Very high97.3Very high18 Ų1831.7 Ų31.713%0.12618%0.183CC..SBendtrans-85143.1-179.4-69.50000110.8F162F162-S165 WeakPolarHBondContact O-CB 2.99Å; F162-S165 PolarHBondContact O-N 2.77Å; F162-S165 VanDerWaalsContact O-N 3.08Å
166F96.9Very high96.8Very high72 Ų7233.4 Ų33.432%0.31620%0.201SC..EExtended strand (participates in β ladder)trans-70.9141.8172.7-64.9-71.4000111.1S134 G135 F136 D199 L256 M260S134-F166 WeakPolarHBondContact O-CD2 3.42Å; S134-F166 PolarHBondContact O-N 3.27Å; G135-F166 CarbonylContact C-O 3.53Å; G135-F166 WeakPolarHBondContact CA-O 3.3Å; F136-F166 PolarHBondContact N-O 2.99Å; F166-D199 VanDerWaalsContact CA-OD2 3.31Å; F166-D199 WeakPolarHBondContact CA-OD2 3.26Å; F166-L256 HydrophobicContact CB-CB 3.86Å; F166-L256 HydrophobicContact CB-CD1 4.42Å; F166-L256 HydrophobicContact CG-CB 4.4Å; F166-M260 HydrophobicContact CD1-CB 4.29Å; F166-M260 HydrophobicContact CD1-CG 3.78Å; F166-M260 HydrophobicContact CE1-CB 4.28Å; F166-M260 HydrophobicContact CE1-CG 4.27Å; F166-M260 HydrophobicContact CG-CG 4.43Å
167I98.1Very high96.1Very high0 Ų036 Ų360%022%0.222CC..EExtended strand (participates in β ladder)trans-126.2107.3176.5-56.5-179.3000108.8F136 T155 L158 R159 N169 D199 A200F136-I167 HydrophobicContact CD2-CG1 4.35Å; T155-I167 HydrophobicContact CG2-CG2 4.01Å; L158-I167 HydrophobicContact CB-CD1 3.92Å; R159-I167 HydrophobicContact CB-CD1 3.99Å; I167-N169 WeakPolarHBondContact CG2-ND2 3.42Å; I167-D199 PolarHBondContact N-OD2 3.34Å; I167-D199 PolarHBondContact O-N 3.06Å; I167-A200 PolarHBondContact O-N 3.5Å
168L98.2Very high95.3Very high0 Ų037.6 Ų37.60%024%0.24CC..EExtended strand (participates in β ladder)trans-102.5113.2172.2178.563.1000109.4F136 F137 T138 A200 L202 F239 L256 L259 M260F136-L168 PolarHBondContact O-N 3.31Å; F137-L168 WeakPolarHBondContact CA-O 2.99Å; F137-L168 HydrophobicContact CD2-CB 4.25Å; F137-L168 HydrophobicContact CD2-CD2 3.91Å; F137-L168 HydrophobicContact CD2-CG 4.01Å; F137-L168 HydrophobicContact CE2-CD2 4.11Å; F137-L168 HydrophobicContact CE2-CG 4.27Å; T138-L168 PolarHBondContact N-O 3.28Å; T138-L168 PolarHBondContact OG1-O 3.01Å; L168-A200 HydrophobicContact CD1-CB 3.77Å; L168-L202 HydrophobicContact CD1-CB 4.14Å; L168-F239 HydrophobicContact CD2-CE1 3.68Å; L168-F239 HydrophobicContact CD2-CZ 3.6Å; L168-L256 HydrophobicContact CB-CD2 4.07Å; L168-L256 HydrophobicContact CD2-CD2 3.79Å; L168-L259 HydrophobicContact CD2-CD2 3.85Å; L168-M260 HydrophobicContact CB-CE 3.62Å; L168-M260 HydrophobicContact CD1-CE 3.89Å; L168-M260 HydrophobicContact CG-CE 4.27Å
169N98.4Very high94.7Very high0 Ų041.5 Ų41.50%026%0.258CS..EExtended strand (participates in β ladder)trans-92.7116.2173.7-83.5-87.6000110.2T138 M140 T155 I167 V171 L194 S198 A200 L201 L202T138-N169 WeakPolarHBondContact CB-OD1 3.39Å; T138-N169 VanDerWaalsContact OG1-CA 3.27Å; T138-N169 WeakPolarHBondContact OG1-CA 3.38Å; T138-N169 PolarHBondContact OG1-ND2 3.37Å; T138-N169 PolarHBondContact OG1-OD1 3.44Å; M140-N169 PolarHBondContact SD-OD1 3.48Å; M140-N169 VanDerWaalsContact SD-OD1 3.39Å; T155-N169 VanDerWaalsContact CG2-ND2 3.26Å; T155-N169 WeakPolarHBondContact CG2-ND2 3.39Å; T155-N169 PolarHBondContact OG1-OD1 3.32Å; I167-N169 WeakPolarHBondContact CG2-ND2 3.42Å; N169-V171 HydrophobicContact CB-CG1 4.31Å; N169-L194 HydrophobicContact CB-CD1 4.43Å; N169-S198 PolarHBondContact ND2-OG 2.89Å; N169-A200 PolarHBondContact N-O 3.2Å; N169-L201 HydrophobicContact CB-CD2 3.57Å; N169-L201 CarbonylContact O-C 3.5Å; N169-L201 WeakPolarHBondContact O-CA 3.48Å; N169-L202 PolarHBondContact O-N 2.83Å
170H98.4Very high94.3Very high0 Ų040.4 Ų40.40%026%0.257CS..EExtended strand (participates in β ladder)trans-88.6115.4164.5173-127.6000109.9F137 T138 M140 I172 L202 H204F137-H170 HydrophobicContact CE2-CB 3.46Å; F137-H170 VanDerWaalsContact CE2-CB 3.46Å; F137-H170 HydrophobicContact CZ-CB 3.63Å; T138-H170 PolarHBondContact O-N 3.35Å; M140-H170 PolarHBondContact N-O 3.19Å; H170-I172 WeakPolarHBondContact CE1-CD1 3.3Å; H170-I172 WeakPolarHBondContact NE2-CD1 3.41Å; H170-L202 WeakPolarHBondContact CA-O 3.2Å; H170-L202 PolarHBondContact CD2-O 3.28Å; H170-L202 VanDerWaalsContact CD2-O 3.31Å; H170-H204 AromaticContact CD2-ND1 3.43Å; H170-H204 PolarHBondContact CD2-ND1 3.42Å; H170-H204 AromaticContact NE2-CE1 3.71Å; H170-H204 AromaticContact NE2-CG 3.61Å; H170-H204 AromaticContact NE2-ND1 2.99Å; H170-H204 PolarHBondContact NE2-ND1 3.02Å
171V97.9Very high93.9Very high0 Ų041.1 Ų41.10%026%0.26CS..EExtended strand (participates in β ladder)trans-115.4130.6-175.1-61.60000111M140 M142 N169 L194 L201 L202 V203 H204M140-V171 HydrophobicContact CG-CG1 3.94Å; M140-V171 WeakPolarHBondContact O-CA 3.23Å; M140-V171 HydrophobicContact SD-CG1 4.1Å; M142-V171 HydrophobicContact CG-CB 4.02Å; M142-V171 HydrophobicContact SD-CB 4.18Å; M142-V171 HydrophobicContact SD-CG2 4.25Å; N169-V171 HydrophobicContact CB-CG1 4.31Å; V171-L194 HydrophobicContact CG1-CD1 3.59Å; V171-L201 HydrophobicContact CG1-CD2 4.38Å; V171-L202 PolarHBondContact N-O 2.85Å; V171-V203 HydrophobicContact CG2-CB 4.23Å; V171-V203 HydrophobicContact CG2-CG1 4.27Å; V171-V203 HydrophobicContact CG2-CG2 3.69Å; V171-H204 PolarHBondContact O-N 2.87Å; V171-H204 VanDerWaalsContact O-N 3.1Å
172I97.9Very high93.8Very high0 Ų038.8 Ų38.80%024%0.24CC..EExtended strand (participates in β ladder)trans-91.7114.5173-55.3-52000109.6I15 M140 M142 H170 H204 N206 I231I15-I172 HydrophobicContact CD1-CD1 3.6Å; I15-I172 HydrophobicContact CD1-CG1 3.44Å; I15-I172 VanDerWaalsContact CD1-CG1 3.44Å; M140-I172 PolarHBondContact O-N 3.42Å; M142-I172 PolarHBondContact N-O 3.26Å; H170-I172 WeakPolarHBondContact CE1-CD1 3.3Å; H170-I172 WeakPolarHBondContact NE2-CD1 3.41Å; I172-H204 HydrophobicContact CD1-CB 3.99Å; I172-N206 WeakPolarHBondContact CG2-OD1 3.48Å; I172-I231 HydrophobicContact CD1-CD1 3.96Å
173W96.8Very high93.7Very high15 Ų1537 Ų376%0.05723%0.232CC..EExtended strand (participates in β ladder)trans-74.8130.8176-155.4-78.9000110.2M142 L191 V203 H204 E205 N206 P405 L406 L409M142-W173 HydrophobicContact CE-CB 3.97Å; M142-W173 HydrophobicContact CE-CD2 3.29Å; M142-W173 HydrophobicContact CE-CE3 3.12Å; M142-W173 HydrophobicContact CE-CG 3.68Å; M142-W173 HydrophobicContact CE-CH2 4.38Å; M142-W173 HydrophobicContact CE-CZ3 3.73Å; M142-W173 HydrophobicContact SD-CE3 4.38Å; W173-L191 HydrophobicContact CH2-CD1 3.72Å; W173-L191 HydrophobicContact CZ3-CD1 3.76Å; W173-L191 HydrophobicContact CZ3-CD2 4.49Å; W173-V203 HydrophobicContact CB-CG1 4.25Å; W173-V203 HydrophobicContact CD2-CG1 4.45Å; W173-V203 HydrophobicContact CE3-CG1 3.63Å; W173-V203 HydrophobicContact CZ3-CG1 4.4Å; W173-H204 PolarHBondContact N-O 3.41Å; W173-E205 HydrophobicContact CB-CB 4.31Å; W173-E205 HydrophobicContact CB-CG 3.9Å; W173-E205 HydrophobicContact CG-CG 4.16Å; W173-N206 WeakPolarHBondContact O-CB 3.49Å; W173-N206 PolarHBondContact O-N 3.33Å; W173-N206 VanDerWaalsContact O-N 3.16Å; W173-P405 HydrophobicContact CZ2-CB 4.08Å; W173-P405 WeakPolarHBondContact CZ2-O 3.21Å; W173-L406 HydrophobicContact CH2-CB 3.95Å; W173-L406 HydrophobicContact CH2-CD1 3.91Å; W173-L409 HydrophobicContact CH2-CD2 3.85Å; W173-L409 HydrophobicContact CZ2-CB 3.74Å; W173-L409 HydrophobicContact CZ2-CD2 3.46Å; W173-L409 VanDerWaalsContact CZ2-CD2 3.46Å; W173-L409 HydrophobicContact CZ2-CG 4.14Å
174P95.3Very high93.7Very high3 Ų333.6 Ų33.62%0.01921%0.209CC..PPolyproline II helixtrans-62.8161.9-178.124.4-33.7000112.6A143 G176A143-P174 HydrophobicContact CB-CB 3.86Å; P174-G176 PolarHBondContact O-N 3.43Å
175Y94.6Very high93.9Very high30 Ų3029 Ų2912%0.11817%0.17CC..PPolyproline II helixtrans-62.7136168.1-69.3-84.1000111T177 G178 E179 Q183 N206 D207 H210 F224Y175-T177 PolarHBondContact O-N 3.15Å; Y175-G178 PolarHBondContact O-N 3.36Å; Y175-E179 VanDerWaalsContact CD2-CD 3.43Å; Y175-E179 HydrophobicContact CD2-CG 3.66Å; Y175-E179 VanDerWaalsContact CD2-OE1 3.24Å; Y175-E179 WeakPolarHBondContact CD2-OE1 3.37Å; Y175-E179 WeakPolarHBondContact CE2-OE1 3.48Å; Y175-E179 HydrophobicContact CG-CG 4.42Å; Y175-Q183 PolarHBondContact O-NE2 2.91Å; Y175-N206 HydrophobicContact CD1-CB 3.93Å; Y175-N206 HydrophobicContact CD2-CB 3.8Å; Y175-N206 HydrophobicContact CE1-CB 3.76Å; Y175-N206 HydrophobicContact CE2-CB 3.65Å; Y175-N206 HydrophobicContact CG-CB 3.95Å; Y175-D207 WeakPolarHBondContact CA-OD2 3.24Å; Y175-D207 WeakPolarHBondContact CD1-OD1 3.22Å; Y175-H210 HydrophobicContact CE1-CB 3.95Å; Y175-F224 HydrophobicContact CE2-CE1 4.33Å
176G88.3Confident94Very high37 Ų3728.1 Ų28.138%0.38116%0.164SC..THydrogen-bonded Turntrans-66.1-21.9179.800000113.9P174 G178 D207 K412P174-G176 PolarHBondContact O-N 3.43Å; G176-G178 VanDerWaalsContact C-N 3.3Å; G176-D207 PolarHBondContact N-OD2 3.32Å; G176-K412 PolarHBondContact O-NZ 3.44Å
177T85.1Confident94Very high129 Ų12924.7 Ų24.779%0.79115%0.149SC*.THydrogen-bonded Turntrans-73.5-19.6172.949.70000113.3Y175Y175-T177 PolarHBondContact O-N 3.15Å
178G81.3Confident94Very high40 Ų4024.7 Ų24.741%0.41215%0.149SC..  trans94.9119.7-178.500000113.5Y175 G176Y175-G178 PolarHBondContact O-N 3.36Å; G176-G178 VanDerWaalsContact C-N 3.3Å
179E84.9Confident94Very high83 Ų8324.7 Ų24.739%0.38815%0.15SC..SBendtrans-96.2-35.6167.4-61.5176.2117.100111Y175Y175-E179 VanDerWaalsContact CD2-CD 3.43Å; Y175-E179 HydrophobicContact CD2-CG 3.66Å; Y175-E179 VanDerWaalsContact CD2-OE1 3.24Å; Y175-E179 WeakPolarHBondContact CD2-OE1 3.37Å; Y175-E179 WeakPolarHBondContact CE2-OE1 3.48Å; Y175-E179 HydrophobicContact CG-CG 4.42Å
180V89.4Confident94Very high31 Ų3124.7 Ų24.719%0.18815%0.15CC..SBendtrans-133.8137.6-179.1-179.30000108.3N102 V182 Q183N102-V180 HydrophobicContact CB-CG1 3.68Å; N102-V180 HydrophobicContact CB-CG2 4.37Å; V180-V182 HydrophobicContact CG1-CG2 3.85Å; V180-V182 PolarHBondContact O-N 3.2Å; V180-Q183 HydrophobicContact CB-CB 4.24Å; V180-Q183 WeakPolarHBondContact O-CB 3.37Å; V180-Q183 VanDerWaalsContact O-CG 3.26Å; V180-Q183 WeakPolarHBondContact O-CG 3.18Å; V180-Q183 PolarHBondContact O-N 3.37Å; V180-Q183 VanDerWaalsContact O-N 3.14Å; V180-Q183 PolarHBondContact O-OE1 3.48Å
181I91.3Very high94Very high116 Ų11624.7 Ų24.760%0.59515%0.15SC*.THydrogen-bonded Turntrans-57.3-37.2-177.5-59.9170.5000112.3M416 Y422I181-M416 WeakPolarHBondContact O-CE 3.45Å; I181-Y422 HydrophobicContact CG2-CD2 4.11Å; I181-Y422 HydrophobicContact CG2-CE1 4.32Å; I181-Y422 HydrophobicContact CG2-CE2 3.41Å; I181-Y422 VanDerWaalsContact CG2-CE2 3.41Å
182V94.5Very high93.9Very high9 Ų924.9 Ų24.96%0.05515%0.151CC..THydrogen-bonded Turntrans-95.79-176.7-58.20000114.2N102 V180 N184 Y185 N186 Y422 Y426N102-V182 VanDerWaalsContact O-CG2 3.3Å; N102-V182 WeakPolarHBondContact O-CG2 3.43Å; V180-V182 HydrophobicContact CG1-CG2 3.85Å; V180-V182 PolarHBondContact O-N 3.2Å; V182-N184 PolarHBondContact O-N 3.28Å; V182-N184 VanDerWaalsContact O-N 3.12Å; V182-Y185 PolarHBondContact O-N 2.87Å; V182-N186 PolarHBondContact O-N 2.9Å; V182-Y422 HydrophobicContact CG1-CD1 4.36Å; V182-Y422 HydrophobicContact CG1-CD2 4.35Å; V182-Y422 HydrophobicContact CG1-CG 3.94Å; V182-Y426 HydrophobicContact CB-CE2 4.39Å; V182-Y426 WeakPolarHBondContact CB-OH 3.31Å; V182-Y426 HydrophobicContact CG1-CE2 4.5Å; V182-Y426 PolarHBondContact O-OH 2.84Å
183Q95.5Very high94Very high5 Ų526.6 Ų26.62%0.02316%0.159CC..Hα-helixtrans-58.7-31-173.571.7-178.333.100113.9A143 Y175 V180 N186 S187A143-Q183 HydrophobicContact CB-CB 4.25Å; Y175-Q183 PolarHBondContact O-NE2 2.91Å; V180-Q183 HydrophobicContact CB-CB 4.24Å; V180-Q183 WeakPolarHBondContact O-CB 3.37Å; V180-Q183 VanDerWaalsContact O-CG 3.26Å; V180-Q183 WeakPolarHBondContact O-CG 3.18Å; V180-Q183 PolarHBondContact O-N 3.37Å; V180-Q183 VanDerWaalsContact O-N 3.14Å; V180-Q183 PolarHBondContact O-OE1 3.48Å; Q183-N186 PolarHBondContact O-N 3.44Å; Q183-S187 VanDerWaalsContact O-CB 3.32Å; Q183-S187 WeakPolarHBondContact O-CB 3.42Å; Q183-S187 PolarHBondContact O-N 3.01Å; Q183-S187 PolarHBondContact O-OG 2.61Å
184N96.3Very high94Very high20 Ų2025.9 Ų25.911%0.10716%0.156CC..Hα-helixtrans-69.9-40.2-176.5-57.3-40000110.4V182 S187 V188 L409 A413 M416V182-N184 PolarHBondContact O-N 3.28Å; V182-N184 VanDerWaalsContact O-N 3.12Å; N184-S187 PolarHBondContact O-N 2.78Å; N184-V188 WeakPolarHBondContact O-CG2 3.47Å; N184-V188 PolarHBondContact O-N 2.94Å; N184-L409 HydrophobicContact CB-CD1 4.19Å; N184-A413 HydrophobicContact CB-CB 3.9Å; N184-M416 HydrophobicContact CB-SD 4.16Å
185Y97.4Very high94.1Very high0 Ų026.9 Ų26.90%016%0.159CC..Hα-helixtrans-63.8-47.9171.1-72-29.1000112.1V182 S187 V188 L189 A413 M416 F417 A421 Y426 F436V182-Y185 PolarHBondContact O-N 2.87Å; Y185-S187 PolarHBondContact O-N 3.39Å; Y185-V188 PolarHBondContact O-N 3.35Å; Y185-L189 WeakPolarHBondContact O-CB 3.47Å; Y185-L189 WeakPolarHBondContact O-CG 3.37Å; Y185-L189 PolarHBondContact O-N 2.98Å; Y185-A413 HydrophobicContact CD1-CB 4.2Å; Y185-A413 WeakPolarHBondContact CE1-O 3.38Å; Y185-M416 HydrophobicContact CD2-CE 4.18Å; Y185-M416 HydrophobicContact CE1-CB 3.93Å; Y185-M416 HydrophobicContact CE2-CB 4.39Å; Y185-M416 HydrophobicContact CE2-CE 4.01Å; Y185-M416 WeakPolarHBondContact OH-CB 3.27Å; Y185-M416 PolarHBondContact OH-O 3.3Å; Y185-M416 VanDerWaalsContact OH-O 3.13Å; Y185-F417 HydrophobicContact CE1-CB 3.99Å; Y185-F417 WeakPolarHBondContact OH-CA 3.41Å; Y185-F417 PolarHBondContact OH-N 2.98Å; Y185-A421 WeakPolarHBondContact CE2-O 3.49Å; Y185-A421 PolarHBondContact OH-O 3Å; Y185-Y426 WeakPolarHBondContact CB-OH 3.33Å; Y185-Y426 HydrophobicContact CD2-CD2 4.4Å; Y185-Y426 AromaticContact CD2-CE2 3.7Å; Y185-Y426 HydrophobicContact CD2-CE2 3.7Å; Y185-Y426 HydrophobicContact CE2-CE2 4.48Å; Y185-Y426 HydrophobicContact CG-CE2 4.45Å; Y185-F436 HydrophobicContact CD1-CD1 4.15Å; Y185-F436 AromaticContact CD1-CE1 3.64Å; Y185-F436 HydrophobicContact CD1-CE1 3.64Å; Y185-F436 HydrophobicContact CD2-CE1 4.31Å; Y185-F436 HydrophobicContact CE1-CD1 4.5Å; Y185-F436 HydrophobicContact CE1-CE1 4.2Å; Y185-F436 AromaticContact CG-CE1 3.71Å; Y185-F436 HydrophobicContact CG-CE1 3.71Å; Y185-F436 HydrophobicContact CG-CZ 4.32Å
186N97.4Very high94.1Very high0 Ų032.2 Ų32.20%019%0.186CC..Hα-helixtrans-55.7-42.2177.4-66.6-14.9000110.7N102 W104 M142 A143 G144 V182 Q183 T190 Y426N102-N186 PolarHBondContact O-ND2 2.87Å; W104-N186 HydrophobicContact CB-CB 4.12Å; W104-N186 WeakPolarHBondContact CB-OD1 3.44Å; W104-N186 PolarHBondContact N-OD1 3.35Å; M142-N186 CarbonylContact O-C 3.58Å; M142-N186 WeakPolarHBondContact O-CB 3.17Å; A143-N186 PolarHBondContact O-ND2 2.93Å; G144-N186 PolarHBondContact O-ND2 3.36Å; G144-N186 VanDerWaalsContact O-ND2 3.1Å; V182-N186 PolarHBondContact O-N 2.9Å; Q183-N186 PolarHBondContact O-N 3.44Å; N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 PolarHBondContact O-N 3.26Å; N186-T190 PolarHBondContact O-OG1 2.87Å; N186-Y426 PolarHBondContact OD1-OH 3.03Å
187S97.3Very high94.5Very high0 Ų030.9 Ų30.90%017%0.17CC..Hα-helixtrans-71.3-41.9-178.5-54.90000112.6M142 Q183 N184 Y185 T190 L191M142-S187 PolarHBondContact O-N 3.28Å; M142-S187 PolarHBondContact O-OG 2.95Å; Q183-S187 VanDerWaalsContact O-CB 3.32Å; Q183-S187 WeakPolarHBondContact O-CB 3.42Å; Q183-S187 PolarHBondContact O-N 3.01Å; Q183-S187 PolarHBondContact O-OG 2.61Å; N184-S187 PolarHBondContact O-N 2.78Å; Y185-S187 PolarHBondContact O-N 3.39Å; S187-T190 PolarHBondContact O-N 3.4Å; S187-L191 WeakPolarHBondContact O-CB 3.34Å; S187-L191 WeakPolarHBondContact O-CG 3.18Å; S187-L191 PolarHBondContact O-N 3.47Å
188V97.8Very high95.1Very high0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-61-50.3175.6162.30000111N184 Y185 T190 L191 S192 V410 A413 F440 L443N184-V188 WeakPolarHBondContact O-CG2 3.47Å; N184-V188 PolarHBondContact O-N 2.94Å; Y185-V188 PolarHBondContact O-N 3.35Å; V188-T190 VanDerWaalsContact C-N 3.33Å; V188-T190 PolarHBondContact O-N 3.42Å; V188-L191 PolarHBondContact O-N 3.28Å; V188-S192 WeakPolarHBondContact O-CB 3.2Å; V188-S192 PolarHBondContact O-N 3.46Å; V188-V410 HydrophobicContact CG2-CG2 4.4Å; V188-A413 HydrophobicContact CB-CB 4.49Å; V188-A413 HydrophobicContact CG2-CB 3.62Å; V188-F440 HydrophobicContact CG1-CD1 4.04Å; V188-F440 HydrophobicContact CG1-CE1 4.03Å; V188-F440 HydrophobicContact CG2-CE1 4.18Å; V188-L443 HydrophobicContact CB-CD1 4.14Å; V188-L443 HydrophobicContact CG1-CD1 3.94Å; V188-L443 HydrophobicContact CG2-CD1 4.1Å
189L98.2Very high95.9Very high1 Ų124.9 Ų24.91%0.00512%0.124CC..Hα-helixtrans-61.7-43.5178.7-67.4168.2000111W104 Y185 H193 Y426 F436W104-L189 HydrophobicContact CB-CD1 4.46Å; W104-L189 HydrophobicContact CD2-CB 3.69Å; W104-L189 HydrophobicContact CD2-CD1 3.92Å; W104-L189 HydrophobicContact CD2-CG 4.43Å; W104-L189 HydrophobicContact CE3-CB 3.99Å; W104-L189 HydrophobicContact CE3-CD1 3.61Å; W104-L189 HydrophobicContact CE3-CG 4.32Å; W104-L189 HydrophobicContact CG-CB 4.13Å; W104-L189 HydrophobicContact CG-CD1 4.29Å; W104-L189 HydrophobicContact CH2-CB 4.27Å; W104-L189 HydrophobicContact CZ2-CB 3.98Å; W104-L189 HydrophobicContact CZ3-CB 4.26Å; W104-L189 HydrophobicContact CZ3-CD1 4.17Å; Y185-L189 WeakPolarHBondContact O-CB 3.47Å; Y185-L189 WeakPolarHBondContact O-CG 3.37Å; Y185-L189 PolarHBondContact O-N 2.98Å; L189-H193 PolarHBondContact O-N 2.99Å; L189-H193 PolarHBondContact O-ND1 2.5Å; L189-Y426 HydrophobicContact CD1-CD1 3.87Å; L189-Y426 HydrophobicContact CD1-CE1 3.81Å; L189-F436 HydrophobicContact CD1-CD1 4.5Å; L189-F436 HydrophobicContact CD1-CE1 3.76Å; L189-F436 HydrophobicContact CD1-CZ 3.9Å; L189-F436 HydrophobicContact CD2-CD1 4.22Å; L189-F436 HydrophobicContact CD2-CE1 4.28Å; L189-F436 HydrophobicContact CG-CD1 4.41Å; L189-F436 HydrophobicContact CG-CE1 4.09Å
190T98.3Very high96.5Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-61.4-52.2177.7-58.80000111.7W104 M142 S148 N186 S187 V188 S192 H193 L194W104-T190 PolarHBondContact NE1-OG1 3.47Å; M142-T190 HydrophobicContact CG-CG2 4.36Å; S148-T190 VanDerWaalsContact CB-OG1 3.24Å; S148-T190 WeakPolarHBondContact CB-OG1 3.34Å; N186-T190 WeakPolarHBondContact O-CB 3.47Å; N186-T190 PolarHBondContact O-N 3.26Å; N186-T190 PolarHBondContact O-OG1 2.87Å; S187-T190 PolarHBondContact O-N 3.4Å; V188-T190 VanDerWaalsContact C-N 3.33Å; V188-T190 PolarHBondContact O-N 3.42Å; T190-S192 VanDerWaalsContact C-N 3.34Å; T190-S192 PolarHBondContact O-N 2.89Å; T190-H193 PolarHBondContact O-N 2.92Å; T190-L194 HydrophobicContact CG2-CD1 3.61Å; T190-L194 HydrophobicContact CG2-CG 4.02Å; T190-L194 WeakPolarHBondContact O-CB 3.5Å; T190-L194 WeakPolarHBondContact O-CG 3.36Å; T190-L194 PolarHBondContact O-N 3.1Å
191L97.9Very high96.9Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-61.7-43.2-177.4-75.5172.2000111.7M142 W173 S187 V188 H193 L194 Y195 L201 L406 L409 L443M142-L191 HydrophobicContact CE-CD1 4.22Å; M142-L191 HydrophobicContact CE-CD2 4.49Å; M142-L191 HydrophobicContact CE-CG 4.42Å; M142-L191 HydrophobicContact SD-CD1 3.96Å; M142-L191 HydrophobicContact SD-CD2 3.47Å; M142-L191 WeakPolarHBondContact SD-CD2 3.32Å; M142-L191 HydrophobicContact SD-CG 3.51Å; M142-L191 VanDerWaalsContact SD-CG 3.51Å; W173-L191 HydrophobicContact CH2-CD1 3.72Å; W173-L191 HydrophobicContact CZ3-CD1 3.76Å; W173-L191 HydrophobicContact CZ3-CD2 4.49Å; S187-L191 WeakPolarHBondContact O-CB 3.34Å; S187-L191 WeakPolarHBondContact O-CG 3.18Å; S187-L191 PolarHBondContact O-N 3.47Å; V188-L191 PolarHBondContact O-N 3.28Å; L191-H193 PolarHBondContact O-N 3.18Å; L191-L194 PolarHBondContact O-N 2.9Å; L191-Y195 WeakPolarHBondContact O-CB 3.46Å; L191-Y195 WeakPolarHBondContact O-CD2 3.32Å; L191-Y195 PolarHBondContact O-N 3.4Å; L191-L201 HydrophobicContact CD2-CD1 4.43Å; L191-L406 HydrophobicContact CD1-CD1 3.89Å; L191-L409 HydrophobicContact CD1-CD2 3.82Å; L191-L443 HydrophobicContact CB-CD1 4.07Å; L191-L443 HydrophobicContact CB-CD2 3.8Å
192S97.6Very high97.2Very high4 Ų414 Ų143%0.0287%0.069CC..Hα-helixtrans-55.9-51.6177.2176.40000111.6V188 T190 Y195 Q196 S439V188-S192 WeakPolarHBondContact O-CB 3.2Å; V188-S192 PolarHBondContact O-N 3.46Å; T190-S192 VanDerWaalsContact C-N 3.34Å; T190-S192 PolarHBondContact O-N 2.89Å; S192-Y195 PolarHBondContact O-N 2.83Å; S192-Q196 PolarHBondContact O-N 3.17Å; S192-S439 WeakPolarHBondContact OG-CA 3.39Å; S192-S439 PolarHBondContact OG-OG 3.37Å
193H98.1Very high97.4Very high36 Ų3614 Ų1417%0.1677%0.068CC..Hα-helixtrans-68.6-38.1-179.4-71.676.5000112.7W104 Y108 A152 L189 T190 L191 Q196 S197W104-H193 AromaticContact CH2-CE1 3.44Å; W104-H193 VanDerWaalsContact CH2-CE1 3.44Å; W104-H193 WeakPolarHBondContact CH2-CE1 3.48Å; W104-H193 AromaticContact CH2-ND1 3.77Å; W104-H193 AromaticContact CH2-NE2 3.72Å; W104-H193 AromaticContact CZ2-CE1 3.82Å; W104-H193 AromaticContact CZ2-CG 3.98Å; W104-H193 AromaticContact CZ2-ND1 3.63Å; Y108-H193 AromaticContact CE2-CD2 3.81Å; Y108-H193 AromaticContact CZ-CD2 3.7Å; Y108-H193 AromaticContact CZ-NE2 3.81Å; Y108-H193 PolarHBondContact OH-CD2 2.86Å; A152-H193 HydrophobicContact CB-CB 4.07Å; L189-H193 PolarHBondContact O-N 2.99Å; L189-H193 PolarHBondContact O-ND1 2.5Å; T190-H193 PolarHBondContact O-N 2.92Å; L191-H193 PolarHBondContact O-N 3.18Å; H193-Q196 PolarHBondContact O-N 3.4Å; H193-S197 PolarHBondContact O-N 2.92Å; H193-S197 PolarHBondContact O-OG 3.36Å
194L98.1Very high97.5Very high0 Ų014 Ų140%07%0.069CC..Hα-helixtrans-67.6-36.1177.1-70.1-176.3000111.8M140 T155 N169 V171 T190 L191 Q196 S197 S198 L201M140-L194 HydrophobicContact CE-CD1 4.48Å; M140-L194 HydrophobicContact CE-CD2 4.42Å; M140-L194 HydrophobicContact SD-CD1 3.75Å; M140-L194 HydrophobicContact SD-CD2 4.19Å; T155-L194 HydrophobicContact CG2-CD2 3.8Å; N169-L194 HydrophobicContact CB-CD1 4.43Å; V171-L194 HydrophobicContact CG1-CD1 3.59Å; T190-L194 HydrophobicContact CG2-CD1 3.61Å; T190-L194 HydrophobicContact CG2-CG 4.02Å; T190-L194 WeakPolarHBondContact O-CB 3.5Å; T190-L194 WeakPolarHBondContact O-CG 3.36Å; T190-L194 PolarHBondContact O-N 3.1Å; L191-L194 PolarHBondContact O-N 2.9Å; L194-Q196 PolarHBondContact O-N 3.12Å; L194-S197 PolarHBondContact O-N 3.44Å; L194-S198 WeakPolarHBondContact O-CB 3.36Å; L194-S198 PolarHBondContact O-N 2.95Å; L194-S198 PolarHBondContact O-OG 2.6Å; L194-L201 HydrophobicContact CB-CD2 3.72Å; L194-L201 HydrophobicContact CD1-CD2 3.98Å; L194-L201 HydrophobicContact CG-CD2 4.46Å
195Y96.6Very high97.5Very high23 Ų2314.8 Ų14.89%0.097%0.072CC..Hα-helixtrans-59.9-35176.1-108.8-86.4000112.4L191 S192 L201 K270 M271 L443 V446L191-Y195 WeakPolarHBondContact O-CB 3.46Å; L191-Y195 WeakPolarHBondContact O-CD2 3.32Å; L191-Y195 PolarHBondContact O-N 3.4Å; S192-Y195 PolarHBondContact O-N 2.83Å; Y195-L201 HydrophobicContact CD2-CD1 3.45Å; Y195-L201 VanDerWaalsContact CD2-CD1 3.45Å; Y195-L201 HydrophobicContact CE2-CD1 3.45Å; Y195-L201 VanDerWaalsContact CE2-CD1 3.45Å; Y195-L201 HydrophobicContact CG-CD1 4.17Å; Y195-K270 HydrophobicContact CD1-CB 4.46Å; Y195-K270 HydrophobicContact CD1-CD 4.29Å; Y195-K270 HydrophobicContact CD1-CG 4.48Å; Y195-K270 HydrophobicContact CE1-CB 3.98Å; Y195-K270 HydrophobicContact CE1-CG 4.25Å; Y195-K270 PolarHBondContact O-NZ 2.82Å; Y195-M271 HydrophobicContact CE2-CE 4.18Å; Y195-M271 HydrophobicContact CE2-CG 4.03Å; Y195-M271 HydrophobicContact CE2-SD 4.22Å; Y195-M271 WeakPolarHBondContact OH-CE 3.36Å; Y195-M271 WeakPolarHBondContact OH-CG 3.24Å; Y195-L443 HydrophobicContact CD2-CD2 4.39Å; Y195-V446 HydrophobicContact CD1-CG2 3.93Å; Y195-V446 HydrophobicContact CE1-CG1 4.01Å; Y195-V446 HydrophobicContact CE1-CG2 3.74Å; Y195-V446 HydrophobicContact CE2-CG1 4.17Å; Y195-V446 HydrophobicContact CE2-CG2 4.44Å; Y195-V446 HydrophobicContact CG-CG2 4.37Å; Y195-V446 WeakPolarHBondContact OH-CG1 3.3Å
196Q95.6Very high97.5Very high143 Ų14315.2 Ų15.267%0.6687%0.074SC*.Hα-helixtrans-76.4-35.3178.7-64.2175.93.200112.8S192 H193 L194S192-Q196 PolarHBondContact O-N 3.17Å; H193-Q196 PolarHBondContact O-N 3.4Å; L194-Q196 PolarHBondContact O-N 3.12Å
197S96.9Very high97.3Very high9 Ų917.5 Ų17.56%0.0639%0.086CC..Hα-helixtrans-101.1-20.4-170.1530000115T155 R159 H193 L194T155-S197 WeakPolarHBondContact CG2-OG 3.38Å; R159-S197 PolarHBondContact NE-O 3.43Å; R159-S197 PolarHBondContact NH2-O 2.79Å; R159-S197 VanDerWaalsContact NH2-O 3.13Å; H193-S197 PolarHBondContact O-N 2.92Å; H193-S197 PolarHBondContact O-OG 3.36Å; L194-S197 PolarHBondContact O-N 3.44Å
198S97.3Very high97.2Very high1 Ų118.6 Ų18.61%0.0079%0.093CC..  trans-96.8155.8-175.5-44.40000112.8N169 L194 K270N169-S198 PolarHBondContact ND2-OG 2.89Å; L194-S198 WeakPolarHBondContact O-CB 3.36Å; L194-S198 PolarHBondContact O-N 2.95Å; L194-S198 PolarHBondContact O-OG 2.6Å; S198-K270 WeakPolarHBondContact O-CD 3.34Å; S198-K270 WeakPolarHBondContact O-CE 3.5Å; S198-K270 PolarHBondContact O-NZ 2.83Å
199D97.7Very high97.1Very high41 Ų4118.8 Ų18.822%0.2199%0.094CC..SBendtrans-85.5-37.9168.7-58.6-58.1000111.3R159 F166 I167 M260R159-D199 IonicContact CZ-OD1 3.25Å; R159-D199 IonicContact CZ-OD2 3.84Å; R159-D199 IonicContact NH1-OD1 3.82Å; R159-D199 IonicContact NH1-OD2 2.95Å; R159-D199 IonicContact NH2-OD1 2.92Å; R159-D199 PolarHBondContact NH2-OD1 3.29Å; R159-D199 IonicContact NH2-OD2 3.58Å; R159-D199 PolarHBondContact NH2-OD2 3.4Å; F166-D199 VanDerWaalsContact CA-OD2 3.31Å; F166-D199 WeakPolarHBondContact CA-OD2 3.26Å; I167-D199 PolarHBondContact N-OD2 3.34Å; I167-D199 PolarHBondContact O-N 3.06Å; D199-M260 HydrophobicContact CB-CE 4.07Å; D199-M260 HydrophobicContact CB-CG 4.21Å; D199-M260 HydrophobicContact CB-SD 4.06Å
200A97.8Very high97Very high0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-146.7158.317200000113.2I167 L168 N169 M260 V264 K270 L272I167-A200 PolarHBondContact O-N 3.5Å; L168-A200 HydrophobicContact CD1-CB 3.77Å; N169-A200 PolarHBondContact N-O 3.2Å; A200-M260 HydrophobicContact CB-CE 3.74Å; A200-M260 HydrophobicContact CB-SD 3.37Å; A200-M260 WeakPolarHBondContact CB-SD 3.3Å; A200-V264 HydrophobicContact CB-CG2 3.92Å; A200-K270 WeakPolarHBondContact CA-O 3.33Å; A200-L272 HydrophobicContact CB-CD1 3.77Å; A200-L272 HydrophobicContact CB-CG 4.26Å
201L98.1Very high96.8Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-121.2105.9176.8-63.5169.2000109.1N169 V171 L191 L194 Y195 K270 M271 L272N169-L201 HydrophobicContact CB-CD2 3.57Å; N169-L201 CarbonylContact O-C 3.5Å; N169-L201 WeakPolarHBondContact O-CA 3.48Å; V171-L201 HydrophobicContact CG1-CD2 4.38Å; L191-L201 HydrophobicContact CD2-CD1 4.43Å; L194-L201 HydrophobicContact CB-CD2 3.72Å; L194-L201 HydrophobicContact CD1-CD2 3.98Å; L194-L201 HydrophobicContact CG-CD2 4.46Å; Y195-L201 HydrophobicContact CD2-CD1 3.45Å; Y195-L201 VanDerWaalsContact CD2-CD1 3.45Å; Y195-L201 HydrophobicContact CE2-CD1 3.45Å; Y195-L201 VanDerWaalsContact CE2-CD1 3.45Å; Y195-L201 HydrophobicContact CG-CD1 4.17Å; L201-K270 PolarHBondContact N-O 2.83Å; L201-M271 HydrophobicContact CB-CG 4.44Å; L201-L272 PolarHBondContact O-N 3.29Å
202L97.9Very high96.7Very high3 Ų327.1 Ų27.12%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-88117.1172.5-176.263.5000109.3L168 N169 H170 V171 L235 L272 L274 V396L168-L202 HydrophobicContact CD1-CB 4.14Å; N169-L202 PolarHBondContact O-N 2.83Å; H170-L202 WeakPolarHBondContact CA-O 3.2Å; H170-L202 PolarHBondContact CD2-O 3.28Å; H170-L202 VanDerWaalsContact CD2-O 3.31Å; V171-L202 PolarHBondContact N-O 2.85Å; L202-L235 HydrophobicContact CD2-CD2 3.33Å; L202-L235 HydrophobicContact CG-CD2 4.46Å; L202-L272 HydrophobicContact CD1-CB 3.91Å; L202-L274 HydrophobicContact CD1-CB 4.1Å; L202-V396 HydrophobicContact CD1-CG1 4.39Å
203V97.8Very high96.5Very high7 Ų727 Ų274%0.04213%0.13CC..EExtended strand (participates in β ladder)trans-107.7133-170.9-173.30000111V171 W173 M271 L272 L402V171-V203 HydrophobicContact CG2-CB 4.23Å; V171-V203 HydrophobicContact CG2-CG1 4.27Å; V171-V203 HydrophobicContact CG2-CG2 3.69Å; W173-V203 HydrophobicContact CB-CG1 4.25Å; W173-V203 HydrophobicContact CD2-CG1 4.45Å; W173-V203 HydrophobicContact CE3-CG1 3.63Å; W173-V203 HydrophobicContact CZ3-CG1 4.4Å; V203-M271 HydrophobicContact CG2-CG 4.48Å; V203-L272 PolarHBondContact N-O 3Å; V203-L402 HydrophobicContact CB-CD1 3.69Å; V203-L402 HydrophobicContact CB-CD2 4Å; V203-L402 HydrophobicContact CG1-CD1 4.34Å; V203-L402 HydrophobicContact CG1-CD2 3.81Å; V203-L402 HydrophobicContact CG2-CD1 3.53Å
204H97.6Very high96.3Very high6 Ų627.1 Ų27.13%0.02814%0.137CC..EExtended strand (participates in β ladder)trans-121130.3164.5-72.770000109.8H170 V171 I172 W173 I209 I231 Q234H170-H204 AromaticContact CD2-ND1 3.43Å; H170-H204 PolarHBondContact CD2-ND1 3.42Å; H170-H204 AromaticContact NE2-CE1 3.71Å; H170-H204 AromaticContact NE2-CG 3.61Å; H170-H204 AromaticContact NE2-ND1 2.99Å; H170-H204 PolarHBondContact NE2-ND1 3.02Å; V171-H204 PolarHBondContact O-N 2.87Å; V171-H204 VanDerWaalsContact O-N 3.1Å; I172-H204 HydrophobicContact CD1-CB 3.99Å; W173-H204 PolarHBondContact N-O 3.41Å; H204-I209 HydrophobicContact CB-CG1 4.46Å; H204-I231 HydrophobicContact CB-CG1 4.46Å; H204-Q234 PolarHBondContact CD2-OE1 3.26Å; H204-Q234 PolarHBondContact NE2-OE1 3.24Å
205E96.8Very high96.1Very high37 Ų3731.8 Ų31.817%0.17316%0.159CC..EExtended strand (participates in β ladder)trans-92.7124.1177.5-64.4175.5-93.100111.6W173 D207 V208 I209 P405W173-E205 HydrophobicContact CB-CB 4.31Å; W173-E205 HydrophobicContact CB-CG 3.9Å; W173-E205 HydrophobicContact CG-CG 4.16Å; E205-D207 VanDerWaalsContact C-N 3.28Å; E205-D207 PolarHBondContact O-N 3.42Å; E205-V208 HydrophobicContact CB-CB 3.99Å; E205-V208 HydrophobicContact CB-CG2 3.75Å; E205-V208 HydrophobicContact CG-CG2 4.48Å; E205-V208 WeakPolarHBondContact O-CB 3.34Å; E205-V208 PolarHBondContact O-N 3.19Å; E205-I209 WeakPolarHBondContact O-CG1 3.36Å; E205-I209 PolarHBondContact O-N 2.71Å; E205-P405 WeakPolarHBondContact OE2-CG 3.23Å
206N96Very high95.8Very high9 Ų931.6 Ų31.65%0.04816%0.159CC..Hα-helixtrans-56.1-41179.1-89.5-12.2000112.8I172 W173 Y175 V208 H210I172-N206 WeakPolarHBondContact CG2-OD1 3.48Å; W173-N206 WeakPolarHBondContact O-CB 3.49Å; W173-N206 PolarHBondContact O-N 3.33Å; W173-N206 VanDerWaalsContact O-N 3.16Å; Y175-N206 HydrophobicContact CD1-CB 3.93Å; Y175-N206 HydrophobicContact CD2-CB 3.8Å; Y175-N206 HydrophobicContact CE1-CB 3.76Å; Y175-N206 HydrophobicContact CE2-CB 3.65Å; Y175-N206 HydrophobicContact CG-CB 3.95Å; N206-V208 VanDerWaalsContact C-N 3.3Å; N206-V208 PolarHBondContact O-N 3.22Å; N206-H210 WeakPolarHBondContact O-CB 3.45Å; N206-H210 PolarHBondContact O-N 2.86Å
207D94.8Very high95.5Very high48 Ų4827.1 Ų27.126%0.25714%0.139SC..Hα-helixtrans-60.2-39.2175.3-78.8-63.2000112.6Y175 G176 E205 K211Y175-D207 WeakPolarHBondContact CA-OD2 3.24Å; Y175-D207 WeakPolarHBondContact CD1-OD1 3.22Å; G176-D207 PolarHBondContact N-OD2 3.32Å; E205-D207 VanDerWaalsContact C-N 3.28Å; E205-D207 PolarHBondContact O-N 3.42Å; D207-K211 VanDerWaalsContact O-CG 3.23Å; D207-K211 WeakPolarHBondContact O-CG 3.29Å; D207-K211 PolarHBondContact O-N 3.42Å; D207-K211 VanDerWaalsContact O-N 3.08Å
208V94.8Very high95.2Very high22 Ų2232.2 Ų32.213%0.13317%0.166CC..Hα-helixtrans-72-48.1-178.1172.10000110.4E205 N206 H210 K211 I212 T308E205-V208 HydrophobicContact CB-CB 3.99Å; E205-V208 HydrophobicContact CB-CG2 3.75Å; E205-V208 HydrophobicContact CG-CG2 4.48Å; E205-V208 WeakPolarHBondContact O-CB 3.34Å; E205-V208 PolarHBondContact O-N 3.19Å; N206-V208 VanDerWaalsContact C-N 3.3Å; N206-V208 PolarHBondContact O-N 3.22Å; V208-H210 VanDerWaalsContact C-N 3.32Å; V208-H210 PolarHBondContact O-N 2.52Å; V208-K211 WeakPolarHBondContact O-CB 3.12Å; V208-K211 PolarHBondContact O-N 3.15Å; V208-I212 HydrophobicContact CG1-CD1 4.19Å; V208-I212 WeakPolarHBondContact O-CG1 2.94Å; V208-I212 PolarHBondContact O-N 3.15Å; V208-T308 HydrophobicContact CB-CG2 4.49Å; V208-T308 VanDerWaalsContact CG1-CB 3.44Å; V208-T308 HydrophobicContact CG1-CG2 3.73Å; V208-T308 HydrophobicContact CG2-CG2 3.88Å
209I96.1Very high95Very high5 Ų534.3 Ų34.33%0.02618%0.177CC..Hα-helixtrans-66-38.7179.3-56.2-49.8000110.9H204 E205 K211 I212 C213 V227 V230 I231H204-I209 HydrophobicContact CB-CG1 4.46Å; E205-I209 WeakPolarHBondContact O-CG1 3.36Å; E205-I209 PolarHBondContact O-N 2.71Å; I209-K211 VanDerWaalsContact C-N 3.31Å; I209-K211 PolarHBondContact O-N 3.13Å; I209-I212 HydrophobicContact CD1-CD1 4.06Å; I209-I212 WeakPolarHBondContact O-CB 3.31Å; I209-I212 PolarHBondContact O-N 3.44Å; I209-C213 PolarHBondContact O-N 3.26Å; I209-C213 PolarHBondContact O-SG 3.04Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; I209-V227 HydrophobicContact CB-CG1 4.2Å; I209-V227 HydrophobicContact CG2-CB 4.32Å; I209-V227 HydrophobicContact CG2-CG1 3.72Å; I209-V230 HydrophobicContact CD1-CG1 4.49Å; I209-V230 HydrophobicContact CG2-CB 3.88Å; I209-V230 HydrophobicContact CG2-CG1 3.88Å; I209-I231 HydrophobicContact CG1-CD1 4.37Å; I209-I231 HydrophobicContact CG1-CG1 3.98Å; I209-I231 HydrophobicContact CG2-CG1 4.1Å
210H95.2Very high94.6Very high69 Ų6941.4 Ų41.432%0.31921%0.205SC..Hα-helixtrans-62.1-39174.6-170-74.7000112Y175 N206 V208 C213 A214 I222Y175-H210 HydrophobicContact CE1-CB 3.95Å; N206-H210 WeakPolarHBondContact O-CB 3.45Å; N206-H210 PolarHBondContact O-N 2.86Å; V208-H210 VanDerWaalsContact C-N 3.32Å; V208-H210 PolarHBondContact O-N 2.52Å; H210-C213 PolarHBondContact O-N 2.77Å; H210-A214 WeakPolarHBondContact O-CB 3.41Å; H210-A214 PolarHBondContact O-N 3.23Å; H210-I222 VanDerWaalsContact CE1-CD1 3.41Å; H210-I222 WeakPolarHBondContact CE1-CD1 3.48Å
211K94.8Very high94.3Very high106 Ų10649.5 Ų49.546%0.46124%0.243SC..Hα-helixtrans-63.9-41.6173.3-75.6169.4-172.9174.70112.2D207 V208 I209 C213 A214 Q215 M309D207-K211 VanDerWaalsContact O-CG 3.23Å; D207-K211 WeakPolarHBondContact O-CG 3.29Å; D207-K211 PolarHBondContact O-N 3.42Å; D207-K211 VanDerWaalsContact O-N 3.08Å; V208-K211 WeakPolarHBondContact O-CB 3.12Å; V208-K211 PolarHBondContact O-N 3.15Å; I209-K211 VanDerWaalsContact C-N 3.31Å; I209-K211 PolarHBondContact O-N 3.13Å; K211-C213 VanDerWaalsContact C-N 3.34Å; K211-C213 PolarHBondContact O-N 3.03Å; K211-A214 PolarHBondContact O-N 3.18Å; K211-Q215 WeakPolarHBondContact O-CB 3.41Å; K211-Q215 PolarHBondContact O-N 2.96Å; K211-M309 HydrophobicContact CB-CE 4.15Å
212I94.8Very high94.1Very high1 Ų151.4 Ų51.41%0.00525%0.253CS..Hα-helixtrans-58.6-46.4174.3-73.1165.7000110.8V208 I209 A214 L216 M217 V230 M309V208-I212 HydrophobicContact CG1-CD1 4.19Å; V208-I212 WeakPolarHBondContact O-CG1 2.94Å; V208-I212 PolarHBondContact O-N 3.15Å; I209-I212 HydrophobicContact CD1-CD1 4.06Å; I209-I212 WeakPolarHBondContact O-CB 3.31Å; I209-I212 PolarHBondContact O-N 3.44Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.26Å; I212-L216 HydrophobicContact CB-CD1 4.49Å; I212-L216 HydrophobicContact CG1-CD1 4.18Å; I212-L216 HydrophobicContact CG2-CB 4.49Å; I212-L216 HydrophobicContact CG2-CD1 4.13Å; I212-L216 WeakPolarHBondContact O-CB 3.33Å; I212-L216 PolarHBondContact O-N 3.03Å; I212-M217 PolarHBondContact O-N 3.48Å; I212-V230 HydrophobicContact CG2-CG1 3.97Å; I212-M309 HydrophobicContact CG1-CB 4.28Å; I212-M309 HydrophobicContact CG1-SD 3.99Å
213C95Very high94Very high0 Ų053.8 Ų53.80%027%0.27CS..Hα-helixtrans-59.6-42.1176.4-68.30000112.2I209 H210 K211 M217 N218 I219 I222I209-C213 PolarHBondContact O-N 3.26Å; I209-C213 PolarHBondContact O-SG 3.04Å; I209-C213 VanDerWaalsContact O-SG 3.36Å; H210-C213 PolarHBondContact O-N 2.77Å; K211-C213 VanDerWaalsContact C-N 3.34Å; K211-C213 PolarHBondContact O-N 3.03Å; C213-M217 CarbonylContact O-C 3.57Å; C213-M217 WeakPolarHBondContact O-CB 3.26Å; C213-N218 PolarHBondContact O-N 3.46Å; C213-I219 HydrophobicContact CB-CD1 4.38Å; C213-I219 PolarHBondContact O-N 3.12Å; C213-I222 HydrophobicContact CB-CD1 3.93Å; C213-I222 HydrophobicContact CB-CG1 4.03Å; C213-I222 HydrophobicContact CB-CG2 3.96Å
214A93.9Very high93.7Very high40 Ų4058.8 Ų58.833%0.33129%0.291SS..Hα-helixtrans-70.1-49.3-178.700000112.6H210 K211 I212 I222H210-A214 WeakPolarHBondContact O-CB 3.41Å; H210-A214 PolarHBondContact O-N 3.23Å; K211-A214 PolarHBondContact O-N 3.18Å; I212-A214 VanDerWaalsContact C-N 3.31Å; I212-A214 PolarHBondContact O-N 3.26Å; A214-I222 HydrophobicContact CB-CD1 3.66Å
215Q93.1Very high93.5Very high98 Ų9866.1 Ų66.146%0.45832%0.319SS..Hα-helixtrans-91-53.2-167.9-65.7-177.4-28.600111.7K211K211-Q215 WeakPolarHBondContact O-CB 3.41Å; K211-Q215 PolarHBondContact O-N 2.96Å
216L90.8Very high93.5Very high18 Ų1866 Ų669%0.09432%0.319CS..THydrogen-bonded Turntrans-83.6-42.4-174.4-53.3-178.2000112.2I212 N218 Q279 P281 M309 E311I212-L216 HydrophobicContact CB-CD1 4.49Å; I212-L216 HydrophobicContact CG1-CD1 4.18Å; I212-L216 HydrophobicContact CG2-CB 4.49Å; I212-L216 HydrophobicContact CG2-CD1 4.13Å; I212-L216 WeakPolarHBondContact O-CB 3.33Å; I212-L216 PolarHBondContact O-N 3.03Å; L216-N218 VanDerWaalsContact C-N 3.33Å; L216-Q279 HydrophobicContact CB-CB 4.4Å; L216-Q279 HydrophobicContact CD1-CB 3.84Å; L216-P281 VanDerWaalsContact O-CD 3.31Å; L216-P281 WeakPolarHBondContact O-CD 3.39Å; L216-M309 HydrophobicContact CD1-CB 3.71Å; L216-M309 HydrophobicContact CD1-CG 4.48Å; L216-M309 HydrophobicContact CD1-SD 4.33Å; L216-M309 HydrophobicContact CG-SD 4.31Å; L216-E311 HydrophobicContact CD2-CB 4.27Å; L216-E311 HydrophobicContact CD2-CG 3.75Å
217M89.4Confident93.5Very high49 Ų4965.6 Ų65.624%0.24132%0.317CS..SBendtrans-86-6.5-180-55-61-67.500113I212 C213 I219 V230 P281I212-M217 PolarHBondContact O-N 3.48Å; C213-M217 CarbonylContact O-C 3.57Å; C213-M217 WeakPolarHBondContact O-CB 3.26Å; M217-I219 HydrophobicContact CB-CD1 3.9Å; M217-I219 HydrophobicContact CB-CG1 3.87Å; M217-I219 PolarHBondContact O-N 3.41Å; M217-V230 HydrophobicContact CG-CG2 4.44Å; M217-P281 WeakPolarHBondContact O-CG 3.34Å
218N90.5Very high93.6Very high116 Ų11663.7 Ų63.762%0.6231%0.307SS*.  trans51.239.7178.9-166.722.3000113.6C213 L216 P281C213-N218 PolarHBondContact O-N 3.46Å; L216-N218 VanDerWaalsContact C-N 3.33Å; N218-P281 HydrophobicContact CB-CG 4.35Å
219I91.3Very high93.6Very high46 Ų4665.3 Ų65.324%0.23631%0.313CS..  trans-87.9115.5179.3-57.4176000108.7C213 M217 I222 D226C213-I219 HydrophobicContact CB-CD1 4.38Å; C213-I219 PolarHBondContact O-N 3.12Å; M217-I219 HydrophobicContact CB-CD1 3.9Å; M217-I219 HydrophobicContact CB-CG1 3.87Å; M217-I219 PolarHBondContact O-N 3.41Å; I219-I222 HydrophobicContact CB-CG1 4.11Å; I219-I222 HydrophobicContact CG2-CG1 3.98Å; I219-I222 WeakPolarHBondContact O-CG1 3.32Å; I219-D226 HydrophobicContact CD1-CB 3.83Å
220K89.5Confident93.6Very high189 Ų18965.5 Ų65.582%0.82231%0.314SS*.SBendtrans-71.7-38.2-177.4-65.4-175.2179.4-178.60113.8
221Q92.3Very high93.7Very high170 Ų17062.2 Ų62.279%0.79430%0.299SS*.SBendtrans-122.795.3-178.3-69.1-64.7-26.900107.8
222I94.4Very high93.8Very high41 Ų4157.2 Ų57.221%0.2128%0.277CS..  trans-84121.4-171.2-61.1162.4000108.8H210 C213 A214 I219 V227H210-I222 VanDerWaalsContact CE1-CD1 3.41Å; H210-I222 WeakPolarHBondContact CE1-CD1 3.48Å; C213-I222 HydrophobicContact CB-CD1 3.93Å; C213-I222 HydrophobicContact CB-CG1 4.03Å; C213-I222 HydrophobicContact CB-CG2 3.96Å; A214-I222 HydrophobicContact CB-CD1 3.66Å; I219-I222 HydrophobicContact CB-CG1 4.11Å; I219-I222 HydrophobicContact CG2-CG1 3.98Å; I219-I222 WeakPolarHBondContact O-CG1 3.32Å; I222-V227 HydrophobicContact CG2-CG2 3.83Å
223S94.5Very high93.8Very high52 Ų5259.7 Ų59.736%0.36429%0.289SS..  trans-100.7163.1172.373.90000111.1R225 D226 V227S223-R225 PolarHBondContact O-N 3.07Å; S223-R225 PolarHBondContact OG-N 3.09Å; S223-D226 WeakPolarHBondContact CB-OD2 3.47Å; S223-D226 PolarHBondContact N-OD2 2.83Å; S223-D226 PolarHBondContact O-N 2.81Å; S223-D226 VanDerWaalsContact O-N 3.08Å; S223-D226 PolarHBondContact OG-N 3.35Å; S223-D226 PolarHBondContact OG-OD2 2.88Å; S223-V227 PolarHBondContact O-N 3.17Å
224F92.2Very high93.8Very high113 Ų11359.9 Ų59.950%0.49629%0.29SS..Hα-helixtrans-59.8-26.1171.2-76.7-65.1000112.9Y175 V227 N228Y175-F224 HydrophobicContact CE2-CE1 4.33Å; F224-V227 PolarHBondContact O-N 3.16Å; F224-N228 VanDerWaalsContact O-CB 3.27Å; F224-N228 WeakPolarHBondContact O-CB 3.35Å; F224-N228 PolarHBondContact O-N 3.35Å; F224-N228 PolarHBondContact O-ND2 2.97Å; F224-N228 PolarHBondContact O-OD1 3.38Å
225R93.9Very high93.9Very high160 Ų16058 Ų5860%0.60427%0.274SS*.Hα-helixtrans-63.8-43.8174.3-172.2-177.6-178-160.3-3.7111.1E18 S223 N228 Q229E18-R225 IonicContact OE1-NE 2.68Å; S223-R225 PolarHBondContact O-N 3.07Å; S223-R225 PolarHBondContact OG-N 3.09Å; R225-N228 PolarHBondContact O-N 3.46Å; R225-Q229 WeakPolarHBondContact O-CB 3.43Å; R225-Q229 VanDerWaalsContact O-CG 3.31Å; R225-Q229 WeakPolarHBondContact O-CG 3.29Å; R225-Q229 PolarHBondContact O-N 2.96Å
226D95.2Very high93.8Very high34 Ų3453.3 Ų53.318%0.18225%0.252CS..Hα-helixtrans-64.7-43.7179.7-52.8-56.6000110.9I219 S223 Q229 V230I219-D226 HydrophobicContact CD1-CB 3.83Å; S223-D226 WeakPolarHBondContact CB-OD2 3.47Å; S223-D226 PolarHBondContact N-OD2 2.83Å; S223-D226 PolarHBondContact O-N 2.81Å; S223-D226 VanDerWaalsContact O-N 3.08Å; S223-D226 PolarHBondContact OG-N 3.35Å; S223-D226 PolarHBondContact OG-OD2 2.88Å; D226-Q229 PolarHBondContact O-N 3.25Å; D226-V230 PolarHBondContact O-N 3.3Å; D226-V230 VanDerWaalsContact O-N 3.17Å
227V96.3Very high93.9Very high1 Ų152.5 Ų52.51%0.00625%0.248CC..Hα-helixtrans-58.9-49.2174.3173.90000110.9I209 I222 S223 F224 Q229 V230 I231I209-V227 HydrophobicContact CB-CG1 4.2Å; I209-V227 HydrophobicContact CG2-CB 4.32Å; I209-V227 HydrophobicContact CG2-CG1 3.72Å; I222-V227 HydrophobicContact CG2-CG2 3.83Å; S223-V227 PolarHBondContact O-N 3.17Å; F224-V227 PolarHBondContact O-N 3.16Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-Q229 PolarHBondContact O-N 2.96Å; V227-V230 PolarHBondContact O-N 3.06Å; V227-I231 HydrophobicContact CG1-CD1 4Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 3.09Å; V227-I231 VanDerWaalsContact O-N 3.11Å
228N97.1Very high94Very high8 Ų850.5 Ų50.54%0.04324%0.239CC..Hα-helixtrans-64.6-34-179.1-66.3-13.1000112.3Q14 I15 E18 F224 R225 I231 A232Q14-N228 WeakPolarHBondContact CB-ND2 3.38Å; I15-N228 HydrophobicContact CG1-CB 4.14Å; I15-N228 VanDerWaalsContact CG1-OD1 3.24Å; I15-N228 WeakPolarHBondContact CG1-OD1 3.41Å; E18-N228 HydrophobicContact CB-CB 4.42Å; E18-N228 HydrophobicContact CG-CB 3.98Å; F224-N228 VanDerWaalsContact O-CB 3.27Å; F224-N228 WeakPolarHBondContact O-CB 3.35Å; F224-N228 PolarHBondContact O-N 3.35Å; F224-N228 PolarHBondContact O-ND2 2.97Å; F224-N228 PolarHBondContact O-OD1 3.38Å; R225-N228 PolarHBondContact O-N 3.46Å; N228-I231 PolarHBondContact O-N 3.01Å; N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.06Å; N228-A232 PolarHBondContact O-N 2.53Å
229Q95.2Very high93.9Very high55 Ų5545.1 Ų45.126%0.25721%0.21SC..Hα-helixtrans-66.2-42.1175.3-77.8179.6-7.900112.4E18 R225 D226 V227 A232 H233E18-Q229 HydrophobicContact CG-CG 4.38Å; E18-Q229 WeakPolarHBondContact OE2-CG 3.21Å; R225-Q229 WeakPolarHBondContact O-CB 3.43Å; R225-Q229 VanDerWaalsContact O-CG 3.31Å; R225-Q229 WeakPolarHBondContact O-CG 3.29Å; R225-Q229 PolarHBondContact O-N 2.96Å; D226-Q229 PolarHBondContact O-N 3.25Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-Q229 PolarHBondContact O-N 2.96Å; Q229-A232 PolarHBondContact O-N 3.39Å; Q229-H233 PolarHBondContact O-N 3.38Å; Q229-H233 PolarHBondContact O-ND1 3.03Å
230V95.7Very high93.8Very high9 Ų943 Ų436%0.05520%0.199CC..Hα-helixtrans-62.2-45.3175.3173.70000110.7I209 I212 M217 D226 V227 A232 H233 Q234I209-V230 HydrophobicContact CD1-CG1 4.49Å; I209-V230 HydrophobicContact CG2-CB 3.88Å; I209-V230 HydrophobicContact CG2-CG1 3.88Å; I212-V230 HydrophobicContact CG2-CG1 3.97Å; M217-V230 HydrophobicContact CG-CG2 4.44Å; D226-V230 PolarHBondContact O-N 3.3Å; D226-V230 VanDerWaalsContact O-N 3.17Å; V227-V230 PolarHBondContact O-N 3.06Å; V230-A232 PolarHBondContact O-N 2.98Å; V230-H233 PolarHBondContact O-N 3.43Å; V230-Q234 WeakPolarHBondContact O-CG 3.34Å; V230-Q234 PolarHBondContact O-N 2.94Å
231I97.4Very high93.6Very high0 Ų034 Ų340%016%0.16CC..Hα-helixtrans-59.9-47.2175.7-67.8167.7000110.5I15 I172 H204 I209 V227 N228 H233 Q234 L235I15-I231 HydrophobicContact CD1-CD1 4.07Å; I15-I231 HydrophobicContact CG2-CG2 3.89Å; I172-I231 HydrophobicContact CD1-CD1 3.96Å; H204-I231 HydrophobicContact CB-CG1 4.46Å; I209-I231 HydrophobicContact CG1-CD1 4.37Å; I209-I231 HydrophobicContact CG1-CG1 3.98Å; I209-I231 HydrophobicContact CG2-CG1 4.1Å; V227-I231 HydrophobicContact CG1-CD1 4Å; V227-I231 WeakPolarHBondContact O-CG1 3.31Å; V227-I231 PolarHBondContact O-N 3.09Å; V227-I231 VanDerWaalsContact O-N 3.11Å; N228-I231 PolarHBondContact O-N 3.01Å; I231-H233 VanDerWaalsContact C-N 3.32Å; I231-H233 PolarHBondContact O-N 2.83Å; I231-Q234 PolarHBondContact O-N 3.31Å; I231-Q234 VanDerWaalsContact O-N 3.14Å; I231-L235 HydrophobicContact CG2-CD1 3.87Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CG 3.35Å; I231-L235 PolarHBondContact O-N 3.1Å
232A96.8Very high93.1Very high1 Ų126.1 Ų26.11%0.00812%0.123CC..Hα-helixtrans-60.4-40179.200000112.6E18 V19 A22 N228 Q229 V230 L235 G236E18-A232 HydrophobicContact CB-CB 3.7Å; E18-A232 WeakPolarHBondContact O-CB 3.24Å; V19-A232 HydrophobicContact CG2-CB 4.07Å; A22-A232 HydrophobicContact CB-CB 4.11Å; N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.06Å; N228-A232 PolarHBondContact O-N 2.53Å; Q229-A232 PolarHBondContact O-N 3.39Å; V230-A232 PolarHBondContact O-N 2.98Å; A232-L235 PolarHBondContact O-N 2.99Å; A232-G236 PolarHBondContact O-N 2.73Å
233H94.3Very high92.3Very high53 Ų5325.7 Ų25.725%0.24512%0.119CC..Hα-helixtrans-65.3-41.7174.2-66.6158.9000112.1Q229 V230 I231 S237 F386 N387Q229-H233 PolarHBondContact O-N 3.38Å; Q229-H233 PolarHBondContact O-ND1 3.03Å; V230-H233 PolarHBondContact O-N 3.43Å; I231-H233 VanDerWaalsContact C-N 3.32Å; I231-H233 PolarHBondContact O-N 2.83Å; H233-S237 PolarHBondContact O-N 3.48Å; H233-S237 VanDerWaalsContact O-N 3.14Å; H233-F386 HydrophobicContact CB-CE1 4.37Å; H233-F386 WeakPolarHBondContact O-CE1 3.42Å; H233-F386 WeakPolarHBondContact O-CZ 3.31Å; H233-N387 PolarHBondContact ND1-ND2 3.28Å
234Q95.4Very high91.1Very high4 Ų424.6 Ų24.62%0.01911%0.11CC..Hα-helixtrans-62-49.5175.2-72.3179.2-3100110.6H204 V230 I231 G236 S237 L274 N276H204-Q234 PolarHBondContact CD2-OE1 3.26Å; H204-Q234 PolarHBondContact NE2-OE1 3.24Å; V230-Q234 WeakPolarHBondContact O-CG 3.34Å; V230-Q234 PolarHBondContact O-N 2.94Å; I231-Q234 PolarHBondContact O-N 3.31Å; I231-Q234 VanDerWaalsContact O-N 3.14Å; Q234-G236 PolarHBondContact O-N 2.95Å; Q234-S237 WeakPolarHBondContact O-CB 3.24Å; Q234-S237 PolarHBondContact O-N 3.47Å; Q234-S237 PolarHBondContact O-OG 2.9Å; Q234-L274 HydrophobicContact CB-CD2 3.67Å; Q234-L274 HydrophobicContact CB-CG 4.18Å; Q234-L274 WeakPolarHBondContact O-CD2 3.44Å; Q234-N276 HydrophobicContact CG-CB 3.91Å
235L95.8Very high89.5Confident0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-62.9-41.1177.7-66.4176.9000113I15 V19 F137 L202 I231 A232 S237 V238 F239I15-L235 HydrophobicContact CG2-CD1 4.49Å; V19-L235 HydrophobicContact CG2-CB 4.27Å; V19-L235 HydrophobicContact CG2-CD1 3.5Å; F137-L235 HydrophobicContact CZ-CD1 4.14Å; F137-L235 HydrophobicContact CZ-CD2 4.44Å; L202-L235 HydrophobicContact CD2-CD2 3.33Å; L202-L235 HydrophobicContact CG-CD2 4.46Å; I231-L235 HydrophobicContact CG2-CD1 3.87Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CG 3.35Å; I231-L235 PolarHBondContact O-N 3.1Å; A232-L235 PolarHBondContact O-N 2.99Å; L235-S237 PolarHBondContact O-N 3.43Å; L235-V238 PolarHBondContact O-N 3.43Å; L235-F239 HydrophobicContact CB-CD2 4.02Å; L235-F239 HydrophobicContact CB-CE2 4.02Å; L235-F239 HydrophobicContact CD2-CE2 3.95Å; L235-F239 HydrophobicContact CG-CE2 4.44Å; L235-F239 VanDerWaalsContact O-CD2 3.24Å; L235-F239 WeakPolarHBondContact O-CD2 3.32Å; L235-F239 PolarHBondContact O-N 2.81Å
236G92.8Very high87.7Confident0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-60.1-31.9176.300000112.9A232 Q234 V238 Q240A232-G236 PolarHBondContact O-N 2.73Å; Q234-G236 PolarHBondContact O-N 2.95Å; G236-V238 VanDerWaalsContact C-N 3.26Å; G236-V238 PolarHBondContact O-N 3.2Å; G236-Q240 WeakPolarHBondContact O-CB 3.48Å; G236-Q240 WeakPolarHBondContact O-CG 3.32Å; G236-Q240 PolarHBondContact O-N 2.83Å
237S91Very high85.8Confident1 Ų124.6 Ų24.61%0.00714%0.138CC..Hα-helixtrans-65.2-29.617576.50000113.3H233 Q234 L235 S394H233-S237 PolarHBondContact O-N 3.48Å; H233-S237 VanDerWaalsContact O-N 3.14Å; Q234-S237 WeakPolarHBondContact O-CB 3.24Å; Q234-S237 PolarHBondContact O-N 3.47Å; Q234-S237 PolarHBondContact O-OG 2.9Å; L235-S237 PolarHBondContact O-N 3.43Å; S237-S394 VanDerWaalsContact CB-OG 3.24Å; S237-S394 WeakPolarHBondContact CB-OG 3.38Å; S237-S394 WeakPolarHBondContact OG-CB 3.45Å; S237-S394 PolarHBondContact OG-OG 3.23Å
238V91.4Very high83.8Confident7 Ų728.5 Ų28.54%0.04217%0.171CC..Hα-helixtrans-87.6-43.3-178.9-179.70000111.9L235 G236 L259 L274 I347 V396L235-V238 PolarHBondContact O-N 3.43Å; G236-V238 VanDerWaalsContact C-N 3.26Å; G236-V238 PolarHBondContact O-N 3.2Å; V238-L259 HydrophobicContact CG1-CD1 4Å; V238-L259 HydrophobicContact CG1-CD2 4.48Å; V238-L274 HydrophobicContact CG2-CD1 3.78Å; V238-L274 HydrophobicContact CG2-CD2 3.79Å; V238-L274 HydrophobicContact CG2-CG 4.48Å; V238-I347 HydrophobicContact CB-CD1 4.28Å; V238-I347 HydrophobicContact CG1-CD1 4.31Å; V238-I347 HydrophobicContact CG2-CD1 4.17Å; V238-V396 HydrophobicContact CG1-CG2 4.28Å; V238-V396 HydrophobicContact CG2-CG2 3.74Å
239F90.3Very high81.9Confident3 Ų335.1 Ų35.11%0.01321%0.205CC..Hα-helixtrans-86-19.3-167.8-75.2-48.8000115.9R49 F50 F137 L168 L235 L256R49-F239 PolarHBondContact NH1-O 3.45Å; F50-F239 HydrophobicContact CE2-CB 3.99Å; F50-F239 WeakPolarHBondContact CE2-O 3.15Å; F50-F239 HydrophobicContact CZ-CB 3.68Å; F50-F239 HydrophobicContact CZ-CD1 4.33Å; F50-F239 HydrophobicContact CZ-CG 4.08Å; F137-F239 HydrophobicContact CD1-CE2 4.17Å; F137-F239 HydrophobicContact CD1-CZ 4.26Å; F137-F239 HydrophobicContact CD2-CE1 4.42Å; F137-F239 HydrophobicContact CD2-CE2 4.25Å; F137-F239 AromaticContact CD2-CZ 3.65Å; F137-F239 HydrophobicContact CD2-CZ 3.65Å; F137-F239 HydrophobicContact CE1-CD2 4.45Å; F137-F239 AromaticContact CE1-CE2 3.62Å; F137-F239 HydrophobicContact CE1-CE2 3.62Å; F137-F239 HydrophobicContact CE1-CZ 4.03Å; F137-F239 AromaticContact CE2-CE2 3.72Å; F137-F239 HydrophobicContact CE2-CE2 3.72Å; F137-F239 AromaticContact CE2-CZ 3.39Å; F137-F239 HydrophobicContact CE2-CZ 3.39Å; F137-F239 HydrophobicContact CG-CE2 4.47Å; F137-F239 HydrophobicContact CG-CZ 4.09Å; F137-F239 AromaticContact CZ-CE2 3.39Å; F137-F239 HydrophobicContact CZ-CE2 3.39Å; F137-F239 AromaticContact CZ-CZ 3.62Å; F137-F239 HydrophobicContact CZ-CZ 3.62Å; L168-F239 HydrophobicContact CD2-CE1 3.68Å; L168-F239 HydrophobicContact CD2-CZ 3.6Å; L235-F239 HydrophobicContact CB-CD2 4.02Å; L235-F239 HydrophobicContact CB-CE2 4.02Å; L235-F239 HydrophobicContact CD2-CE2 3.95Å; L235-F239 HydrophobicContact CG-CE2 4.44Å; L235-F239 VanDerWaalsContact O-CD2 3.24Å; L235-F239 WeakPolarHBondContact O-CD2 3.32Å; L235-F239 PolarHBondContact O-N 2.81Å; F239-L256 HydrophobicContact CE1-CD2 3.98Å
240Q87.8Confident80.4Confident2 Ų238.6 Ų38.61%0.00922%0.221CC..SBendtrans-67.3154.1-179.7-79.4-69.313.800112.4I23 D26 Y42 C46 G236 I242I23-Q240 VanDerWaalsContact CA-NE2 3.33Å; I23-Q240 PolarHBondContact O-NE2 3.17Å; D26-Q240 WeakPolarHBondContact OD2-CG 3.47Å; D26-Q240 PolarHBondContact OD2-NE2 3.05Å; D26-Q240 VanDerWaalsContact OD2-NE2 3.15Å; Y42-Q240 VanDerWaalsContact OH-CB 3.24Å; Y42-Q240 WeakPolarHBondContact OH-CB 3.49Å; Y42-Q240 VanDerWaalsContact OH-CG 3.31Å; Y42-Q240 WeakPolarHBondContact OH-CG 3.38Å; Y42-Q240 PolarHBondContact OH-OE1 2.96Å; Y42-Q240 VanDerWaalsContact OH-OE1 3.09Å; C46-Q240 PolarHBondContact SG-OE1 2.86Å; G236-Q240 WeakPolarHBondContact O-CB 3.48Å; G236-Q240 WeakPolarHBondContact O-CG 3.32Å; G236-Q240 PolarHBondContact O-N 2.83Å; Q240-I242 PolarHBondContact O-N 3.13Å
241P85.3Confident79.3Confident0 Ų038.8 Ų38.80%022%0.221CC..  trans-55133.4179.5-25.133000112.8Y42 A45 C46 Y251Y42-P241 HydrophobicContact CD2-CB 3.75Å; Y42-P241 HydrophobicContact CD2-CG 4.05Å; Y42-P241 HydrophobicContact CE2-CB 3.84Å; Y42-P241 HydrophobicContact CE2-CG 3.99Å; Y42-P241 VanDerWaalsContact CE2-O 3.32Å; Y42-P241 WeakPolarHBondContact CE2-O 3.34Å; A45-P241 HydrophobicContact CB-CB 3.98Å; A45-P241 HydrophobicContact CB-CG 3.79Å; C46-P241 HydrophobicContact CB-CG 3.86Å; P241-Y251 VanDerWaalsContact C-CD1 3.44Å; P241-Y251 HydrophobicContact CB-CD1 3.42Å; P241-Y251 VanDerWaalsContact CB-CD1 3.42Å; P241-Y251 HydrophobicContact CB-CD2 4.21Å; P241-Y251 HydrophobicContact CB-CE1 3.9Å; P241-Y251 HydrophobicContact CB-CG 3.59Å
242I81.9Confident78Confident5 Ų539.5 Ų39.53%0.02623%0.226CC..  trans-140.6156.4-179.4-153.6154000112.1Q240 S252 I347 W380 K381 T382Q240-I242 PolarHBondContact O-N 3.13Å; I242-S252 PolarHBondContact O-N 3.19Å; I242-S252 VanDerWaalsContact O-N 3.12Å; I242-I347 HydrophobicContact CD1-CB 4.31Å; I242-I347 HydrophobicContact CD1-CG1 4.47Å; I242-I347 HydrophobicContact CD1-CG2 3.35Å; I242-W380 HydrophobicContact CB-CB 4.44Å; I242-W380 HydrophobicContact CD1-CB 3.56Å; I242-W380 HydrophobicContact CG1-CB 3.83Å; I242-W380 HydrophobicContact CG2-CB 3.8Å; I242-W380 HydrophobicContact CG2-CD2 3.86Å; I242-W380 HydrophobicContact CG2-CE3 3.63Å; I242-W380 HydrophobicContact CG2-CG 3.97Å; I242-W380 HydrophobicContact CG2-CZ3 4.44Å; I242-K381 VanDerWaalsContact CG1-C 3.43Å; I242-K381 VanDerWaalsContact CG1-O 3.25Å; I242-K381 WeakPolarHBondContact CG1-O 3.34Å; I242-T382 HydrophobicContact CD1-CG2 4.13Å; I242-T382 HydrophobicContact CG1-CG2 4.08Å
243Y77.6Confident76.5Confident31 Ų3147.7 Ų47.712%0.12226%0.257CS..BIsolated β-bridgetrans-85.6127.1170.4-57.2-62.9000109.2Y251 K381 P383Y243-Y251 HydrophobicContact CD1-CD1 4.27Å; Y243-Y251 HydrophobicContact CD1-CE1 4.35Å; Y243-Y251 HydrophobicContact CE1-CD1 4.14Å; Y243-Y251 AromaticContact CE1-CE1 3.99Å; Y243-Y251 HydrophobicContact CE1-CE1 3.99Å; Y243-Y251 HydrophobicContact CE1-CE2 4.45Å; Y243-Y251 HydrophobicContact CE1-CG 4.46Å; Y243-Y251 HydrophobicContact CE2-CE1 4.2Å; Y243-Y251 AromaticContact CZ-CE1 3.93Å; Y243-Y251 AromaticContact CZ-CZ 3.83Å; Y243-K381 WeakPolarHBondContact CB-O 3.44Å; Y243-K381 PolarHBondContact N-O 2.99Å; Y243-K381 PolarHBondContact O-N 2.88Å; Y243-K381 VanDerWaalsContact O-N 3.1Å; Y243-P383 HydrophobicContact CE2-CG 4.46Å
244T68.7Low75.8Confident30 Ų3046 Ų4618%0.18425%0.251CS..  trans-90.1166.4172.359.80000109.7E246 G247T244-E246 PolarHBondContact O-N 3.35Å; T244-E246 VanDerWaalsContact O-N 3.15Å; T244-G247 PolarHBondContact O-N 3.29Å; T244-G247 VanDerWaalsContact O-N 3.15Å
245A60.4Low75Confident91 Ų9146.2 Ų46.275%0.75225%0.252SS*.THydrogen-bonded Turntrans-57.6-29.1-178.900000113.3
246E54.6Low74.8Confident196 Ų19646.2 Ų46.292%0.91625%0.252SS*.THydrogen-bonded Turntrans-88.8-13.9-177.4-57.1-173.516400113.7T244T244-E246 PolarHBondContact O-N 3.35Å; T244-E246 VanDerWaalsContact O-N 3.15Å
247G56.4Low74.7Confident19 Ų1946.5 Ų46.520%0.19626%0.256CS..  trans-129.470.5-171.300000113.1T244 L249T244-G247 PolarHBondContact O-N 3.29Å; T244-G247 VanDerWaalsContact O-N 3.15Å; G247-L249 PolarHBondContact O-N 3.37Å; G247-L249 VanDerWaalsContact O-N 3.12Å
248A54.3Low74.6Confident84 Ų8448.1 Ų48.169%0.69426%0.264SS*.THydrogen-bonded Turntrans-67.6-8.8-179.900000114.8
249L56.6Low74.7Confident146 Ų14648 Ų4876%0.76426%0.263SS*.THydrogen-bonded Turntrans-123.8-7.8-172.7-67.5168.6000114.3G247G247-L249 PolarHBondContact O-N 3.37Å; G247-L249 VanDerWaalsContact O-N 3.12Å
250H64.8Low74.8Confident128 Ų12848.3 Ų48.359%0.59327%0.265SS*.SBendtrans-142.5140.6-177.7-63.7-57.1000110.9
251Y71.8Confident74.9Confident14 Ų1455.7 Ų55.76%0.05530%0.3CS..  trans-63145173.8-70.3-65.7000111.8Y42 A45 P241 Y243 R253Y42-Y251 AromaticContact CD2-CE1 3.86Å; Y42-Y251 HydrophobicContact CD2-CE1 3.86Å; Y42-Y251 HydrophobicContact CD2-CE2 4.23Å; Y42-Y251 AromaticContact CD2-CZ 3.61Å; Y42-Y251 HydrophobicContact CG-CE2 4.48Å; Y42-Y251 VanDerWaalsContact N-CE2 3.3Å; A45-Y251 HydrophobicContact CB-CD2 4.13Å; A45-Y251 HydrophobicContact CB-CG 4.28Å; P241-Y251 VanDerWaalsContact C-CD1 3.44Å; P241-Y251 HydrophobicContact CB-CD1 3.42Å; P241-Y251 VanDerWaalsContact CB-CD1 3.42Å; P241-Y251 HydrophobicContact CB-CD2 4.21Å; P241-Y251 HydrophobicContact CB-CE1 3.9Å; P241-Y251 HydrophobicContact CB-CG 3.59Å; Y243-Y251 HydrophobicContact CD1-CD1 4.27Å; Y243-Y251 HydrophobicContact CD1-CE1 4.35Å; Y243-Y251 HydrophobicContact CE1-CD1 4.14Å; Y243-Y251 AromaticContact CE1-CE1 3.99Å; Y243-Y251 HydrophobicContact CE1-CE1 3.99Å; Y243-Y251 HydrophobicContact CE1-CE2 4.45Å; Y243-Y251 HydrophobicContact CE1-CG 4.46Å; Y243-Y251 HydrophobicContact CE2-CE1 4.2Å; Y243-Y251 AromaticContact CZ-CE1 3.93Å; Y243-Y251 AromaticContact CZ-CZ 3.83Å; Y251-R253 PolarHBondContact O-N 3.5Å
252S69.5Low75.3Confident14 Ų1456.3 Ų56.310%0.09830%0.303CS..  trans-50.6132.8174.3153.20000111.5R49 I242 S254 D258R49-S252 PolarHBondContact NH2-O 2.83Å; I242-S252 PolarHBondContact O-N 3.19Å; I242-S252 VanDerWaalsContact O-N 3.12Å; S252-S254 PolarHBondContact OG-N 3Å; S252-D258 WeakPolarHBondContact CB-OD2 3.28Å; S252-D258 PolarHBondContact OG-OD2 3.25Å
253R66.5Low75.9Confident173 Ų17356.1 Ų56.165%0.65330%0.302SS*.SBendtrans-83.9-28.2-178.4-67.3-176.1178-178.30.4112.7M1 Y251M1-R253 WeakPolarHBondContact CB-O 3.47Å; M1-R253 WeakPolarHBondContact CG-O 3.48Å; M1-R253 PolarHBondContact N-O 3.36Å; Y251-R253 PolarHBondContact O-N 3.5Å
254S78.9Confident76.7Confident18 Ų1855.9 Ų55.913%0.12630%0.304CS..  trans-121.585.8-175.6-167.80000111.6S134 S252 L256 G257 D258S134-S254 PolarHBondContact OG-OG 2.71Å; S252-S254 PolarHBondContact OG-N 3Å; S254-L256 VanDerWaalsContact C-N 3.29Å; S254-L256 PolarHBondContact O-N 3.05Å; S254-G257 PolarHBondContact O-N 2.67Å; S254-G257 PolarHBondContact OG-N 2.92Å; S254-D258 WeakPolarHBondContact O-CB 3.44Å; S254-D258 PolarHBondContact O-N 3.25Å; S254-D258 VanDerWaalsContact O-OD1 3.11Å
255P78.8Confident77.9Confident8 Ų857 Ų575%0.05231%0.312CS..Hα-helixtrans-52.9-45.4-177.415-27.7000114V3 R49 L259V3-P255 HydrophobicContact CG2-CB 4.46Å; V3-P255 HydrophobicContact CG2-CG 3.46Å; V3-P255 VanDerWaalsContact CG2-CG 3.46Å; R49-P255 HydrophobicContact CG-CG 3.98Å; R49-P255 VanDerWaalsContact NE-CG 3.33Å; P255-L259 VanDerWaalsContact O-CB 3.32Å; P255-L259 WeakPolarHBondContact O-CB 3.1Å; P255-L259 PolarHBondContact O-N 3.15Å
256L91.4Very high79.4Confident0 Ų056.3 Ų56.30%029%0.293CS..Hα-helixtrans-81.2-42.7-173.9-60.7-176.6000110.1V3 F166 L168 F239 S254 L259 M260V3-L256 HydrophobicContact CG1-CD1 4.04Å; V3-L256 HydrophobicContact CG2-CD1 4.14Å; V3-L256 HydrophobicContact CG2-CG 4.09Å; F166-L256 HydrophobicContact CB-CB 3.86Å; F166-L256 HydrophobicContact CB-CD1 4.42Å; F166-L256 HydrophobicContact CG-CB 4.4Å; L168-L256 HydrophobicContact CB-CD2 4.07Å; L168-L256 HydrophobicContact CD2-CD2 3.79Å; F239-L256 HydrophobicContact CE1-CD2 3.98Å; S254-L256 VanDerWaalsContact C-N 3.29Å; S254-L256 PolarHBondContact O-N 3.05Å; L256-L259 WeakPolarHBondContact O-CB 3.47Å; L256-L259 PolarHBondContact O-N 2.99Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.44Å; L256-M260 PolarHBondContact O-N 3.05Å
257G90.6Very high81.2Confident7 Ų751.3 Ų51.37%0.07228%0.278CS..Hα-helixtrans-58.9-50.7178.800000112.3S254 L259 M260 E261S254-G257 PolarHBondContact O-N 2.67Å; S254-G257 PolarHBondContact OG-N 2.92Å; G257-L259 PolarHBondContact O-N 3.47Å; G257-M260 PolarHBondContact O-N 3.22Å; G257-M260 VanDerWaalsContact O-N 3.14Å; G257-E261 WeakPolarHBondContact O-CB 3.33Å; G257-E261 PolarHBondContact O-N 3.02Å
258D89.8Confident82.9Confident34 Ų3453.1 Ų53.118%0.18228%0.281CS..Hα-helixtrans-62.3-35.7179.6-59.78.5000111.2S252 S254 T262 W380S252-D258 WeakPolarHBondContact CB-OD2 3.28Å; S252-D258 PolarHBondContact OG-OD2 3.25Å; S254-D258 WeakPolarHBondContact O-CB 3.44Å; S254-D258 PolarHBondContact O-N 3.25Å; S254-D258 VanDerWaalsContact O-OD1 3.11Å; D258-T262 WeakPolarHBondContact O-CB 3.38Å; D258-T262 PolarHBondContact O-N 3.39Å; D258-T262 VanDerWaalsContact O-N 3.13Å; D258-T262 PolarHBondContact O-OG1 2.99Å; D258-W380 HydrophobicContact CB-CH2 4.19Å; D258-W380 HydrophobicContact CB-CZ2 3.87Å
259L92Very high84.8Confident4 Ų449.9 Ų49.92%0.02125%0.251CS..Hα-helixtrans-65.9-45.7175.6-171.175.8000111.3L168 V238 P255 L256 G257 T262 L263 L345 W380L168-L259 HydrophobicContact CD2-CD2 3.85Å; V238-L259 HydrophobicContact CG1-CD1 4Å; V238-L259 HydrophobicContact CG1-CD2 4.48Å; P255-L259 VanDerWaalsContact O-CB 3.32Å; P255-L259 WeakPolarHBondContact O-CB 3.1Å; P255-L259 PolarHBondContact O-N 3.15Å; L256-L259 WeakPolarHBondContact O-CB 3.47Å; L256-L259 PolarHBondContact O-N 2.99Å; G257-L259 PolarHBondContact O-N 3.47Å; L259-T262 PolarHBondContact O-N 3.48Å; L259-L263 HydrophobicContact CD1-CD1 3.48Å; L259-L263 VanDerWaalsContact CD1-CD1 3.48Å; L259-L263 HydrophobicContact CG-CD1 3.89Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 PolarHBondContact O-N 3.2Å; L259-L345 HydrophobicContact CD1-CD2 3.69Å; L259-W380 HydrophobicContact CB-CH2 4.1Å; L259-W380 HydrophobicContact CD1-CH2 3.99Å; L259-W380 HydrophobicContact CD1-CZ3 4.24Å
260M92.8Very high86.7Confident11 Ų1144.1 Ų44.15%0.05422%0.22CC..Hα-helixtrans-65.8-48179.6-63.4-43.7169.600111.5F166 L168 D199 A200 L256 G257 T262 L263 V264F166-M260 HydrophobicContact CD1-CB 4.29Å; F166-M260 HydrophobicContact CD1-CG 3.78Å; F166-M260 HydrophobicContact CE1-CB 4.28Å; F166-M260 HydrophobicContact CE1-CG 4.27Å; F166-M260 HydrophobicContact CG-CG 4.43Å; L168-M260 HydrophobicContact CB-CE 3.62Å; L168-M260 HydrophobicContact CD1-CE 3.89Å; L168-M260 HydrophobicContact CG-CE 4.27Å; D199-M260 HydrophobicContact CB-CE 4.07Å; D199-M260 HydrophobicContact CB-CG 4.21Å; D199-M260 HydrophobicContact CB-SD 4.06Å; A200-M260 HydrophobicContact CB-CE 3.74Å; A200-M260 HydrophobicContact CB-SD 3.37Å; A200-M260 WeakPolarHBondContact CB-SD 3.3Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.44Å; L256-M260 PolarHBondContact O-N 3.05Å; G257-M260 PolarHBondContact O-N 3.22Å; G257-M260 VanDerWaalsContact O-N 3.14Å; M260-T262 PolarHBondContact O-N 2.88Å; M260-L263 PolarHBondContact O-N 3.35Å; M260-V264 WeakPolarHBondContact O-CA 3.34Å; M260-V264 PolarHBondContact O-N 3.21Å; M260-V264 HydrophobicContact SD-CG2 4.31Å
261E91.3Very high88.2Confident157 Ų15738.3 Ų38.373%0.73419%0.193SC*.Hα-helixtrans-55.5-40.4177.6-179.6175-167.500111.3G257G257-E261 WeakPolarHBondContact O-CB 3.33Å; G257-E261 PolarHBondContact O-N 3.02Å
262T91.8Very high89.4Confident13 Ų1337.6 Ų37.68%0.0819%0.19CC..Hα-helixtrans-73.9-39.1-178.8-65.10000113.6D258 L259 M260 A343 L345 N378D258-T262 WeakPolarHBondContact O-CB 3.38Å; D258-T262 PolarHBondContact O-N 3.39Å; D258-T262 VanDerWaalsContact O-N 3.13Å; D258-T262 PolarHBondContact O-OG1 2.99Å; L259-T262 PolarHBondContact O-N 3.48Å; M260-T262 PolarHBondContact O-N 2.88Å; T262-A343 WeakPolarHBondContact O-CB 3.15Å; T262-L345 HydrophobicContact CG2-CB 3.85Å; T262-L345 HydrophobicContact CG2-CD1 4.2Å; T262-L345 HydrophobicContact CG2-CD2 4.4Å; T262-L345 HydrophobicContact CG2-CG 4.35Å; T262-N378 HydrophobicContact CG2-CB 3.34Å
263L95.3Very high90.7Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-112.6-17.7-164-69.2171.3000114.9L259 M260 P265 L272 L345 V396 N398L259-L263 HydrophobicContact CD1-CD1 3.48Å; L259-L263 VanDerWaalsContact CD1-CD1 3.48Å; L259-L263 HydrophobicContact CG-CD1 3.89Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 PolarHBondContact O-N 3.2Å; M260-L263 PolarHBondContact O-N 3.35Å; L263-P265 VanDerWaalsContact O-CD 3.23Å; L263-P265 WeakPolarHBondContact O-CD 3.36Å; L263-L272 HydrophobicContact CB-CD1 4.33Å; L263-L272 HydrophobicContact CB-CD2 3.78Å; L263-L272 HydrophobicContact CD1-CD1 3.97Å; L263-L272 HydrophobicContact CD1-CD2 4.32Å; L263-L345 HydrophobicContact CD1-CB 4.28Å; L263-L345 HydrophobicContact CD1-CD2 4.32Å; L263-L345 HydrophobicContact CD2-CB 3.7Å; L263-L345 HydrophobicContact CG-CB 4.12Å; L263-V396 HydrophobicContact CD1-CB 3.68Å; L263-V396 HydrophobicContact CD1-CG1 3.35Å; L263-V396 HydrophobicContact CD2-CB 4.43Å; L263-V396 WeakPolarHBondContact CD2-O 3.26Å; L263-N398 WeakPolarHBondContact O-CB 3.13Å; L263-N398 PolarHBondContact O-ND2 2.86Å
264V95.6Very high92.1Very high26 Ų2629.7 Ų29.716%0.15816%0.16CC..  trans-120.971.4-175.9-171.90000109.1A200 M260 H266 K270 L272A200-V264 HydrophobicContact CB-CG2 3.92Å; M260-V264 WeakPolarHBondContact O-CA 3.34Å; M260-V264 PolarHBondContact O-N 3.21Å; M260-V264 HydrophobicContact SD-CG2 4.31Å; V264-H266 PolarHBondContact O-N 3.14Å; V264-K270 HydrophobicContact CG1-CG 4.48Å; V264-L272 HydrophobicContact CG2-CD2 4.4Å
265P92.4Very high92.8Very high53 Ų5329 Ų2934%0.34416%0.155SC..SBendtrans-71.4-17.4-178.928-33.8000112.9L263 I342 A343 W370 L371L263-P265 VanDerWaalsContact O-CD 3.23Å; L263-P265 WeakPolarHBondContact O-CD 3.36Å; P265-I342 HydrophobicContact CG-CG2 3.36Å; P265-A343 HydrophobicContact CG-CB 4.44Å; P265-W370 HydrophobicContact CB-CH2 4.46Å; P265-W370 HydrophobicContact CG-CH2 4.08Å; P265-L371 HydrophobicContact CB-CD1 3.97Å; P265-L371 HydrophobicContact CB-CD2 4.18Å; P265-L371 HydrophobicContact CG-CD1 3.6Å
266H93.2Very high93.5Very high77 Ų7729.2 Ų29.236%0.35616%0.155SC..SBendtrans-141.3135177.3-175-93.1000110.7V264 E268 F269 W370V264-H266 PolarHBondContact O-N 3.14Å; H266-E268 IonicContact CE1-OE2 2.75Å; H266-E268 VanDerWaalsContact ND1-CB 3.26Å; H266-E268 WeakPolarHBondContact ND1-CB 3.14Å; H266-E268 PolarHBondContact ND1-N 2.98Å; H266-E268 PolarHBondContact O-N 3.1Å; H266-F269 HydrophobicContact CB-CD2 4.04Å; H266-F269 PolarHBondContact O-N 2.88Å; H266-W370 HydrophobicContact CB-CH2 3.96Å; H266-W370 HydrophobicContact CB-CZ3 4.46Å
267P91.2Very high93.7Very high92 Ų9229.3 Ų29.360%0.59716%0.156SC*.THydrogen-bonded Turntrans-59.2-19.6-175.5-26.734.5000115.4F269 K270P267-F269 VanDerWaalsContact C-N 3.31Å; P267-K270 WeakPolarHBondContact O-CE 3.27Å; P267-K270 WeakPolarHBondContact O-CG 3.49Å
268E92Very high93.8Very high56 Ų5629 Ų2926%0.26215%0.153SC..THydrogen-bonded Turntrans-73.7-24.8177.4-167.9165.6-16600112.9H266 S449H266-E268 IonicContact CE1-OE2 2.75Å; H266-E268 VanDerWaalsContact ND1-CB 3.26Å; H266-E268 WeakPolarHBondContact ND1-CB 3.14Å; H266-E268 PolarHBondContact ND1-N 2.98Å; H266-E268 PolarHBondContact O-N 3.1Å; E268-S449 VanDerWaalsContact CD-OG 3.26Å; E268-S449 WeakPolarHBondContact OE1-CB 3.37Å; E268-S449 PolarHBondContact OE1-OG 3.29Å
269F95.3Very high93.7Very high16 Ų1628.4 Ų28.47%0.0715%0.149CC..  trans-108.884.6-174.3-57.3-74.1000110.5H266 P267 I342 W370 N398 Y450 L453H266-F269 HydrophobicContact CB-CD2 4.04Å; H266-F269 PolarHBondContact O-N 2.88Å; P267-F269 VanDerWaalsContact C-N 3.31Å; F269-I342 HydrophobicContact CB-CD1 3.45Å; F269-I342 VanDerWaalsContact CB-CD1 3.45Å; F269-I342 HydrophobicContact CD1-CD1 3.35Å; F269-I342 HydrophobicContact CD2-CD1 3.7Å; F269-I342 HydrophobicContact CE1-CD1 3.94Å; F269-I342 HydrophobicContact CE2-CD1 4.27Å; F269-I342 HydrophobicContact CG-CD1 3.21Å; F269-I342 HydrophobicContact CZ-CD1 4.38Å; F269-W370 HydrophobicContact CD2-CZ2 4.4Å; F269-W370 HydrophobicContact CE2-CZ2 4.19Å; F269-N398 PolarHBondContact O-ND2 3.17Å; F269-Y450 VanDerWaalsContact C-OH 3.27Å; F269-Y450 VanDerWaalsContact CA-OH 3.29Å; F269-Y450 WeakPolarHBondContact CA-OH 3.25Å; F269-Y450 HydrophobicContact CB-CE2 4.38Å; F269-Y450 HydrophobicContact CD1-CD1 4.09Å; F269-Y450 AromaticContact CD1-CD2 3.81Å; F269-Y450 HydrophobicContact CD1-CD2 3.81Å; F269-Y450 AromaticContact CD1-CE1 3.88Å; F269-Y450 HydrophobicContact CD1-CE1 3.88Å; F269-Y450 AromaticContact CD1-CE2 3.62Å; F269-Y450 HydrophobicContact CD1-CE2 3.62Å; F269-Y450 HydrophobicContact CD1-CG 4.05Å; F269-Y450 AromaticContact CD1-CZ 3.64Å; F269-Y450 HydrophobicContact CE1-CD2 4.24Å; F269-Y450 HydrophobicContact CE1-CE2 4.47Å; F269-Y450 HydrophobicContact CE1-CG 4.27Å; F269-Y450 HydrophobicContact CG-CE2 4.46Å; F269-L453 HydrophobicContact CE1-CD1 4.29Å; F269-L453 HydrophobicContact CE1-CD2 3.86Å; F269-L453 HydrophobicContact CE1-CG 4.26Å; F269-L453 HydrophobicContact CE2-CD2 4.5Å; F269-L453 HydrophobicContact CZ-CD2 3.82Å
270K96Very high93.7Very high26 Ų2629.8 Ų29.811%0.11316%0.156CC..  trans-105.4-7.8-173.4-58.4-170.5-174.6-175.30114.3Y195 S198 A200 L201 V264 P267 Y450Y195-K270 HydrophobicContact CD1-CB 4.46Å; Y195-K270 HydrophobicContact CD1-CD 4.29Å; Y195-K270 HydrophobicContact CD1-CG 4.48Å; Y195-K270 HydrophobicContact CE1-CB 3.98Å; Y195-K270 HydrophobicContact CE1-CG 4.25Å; Y195-K270 PolarHBondContact O-NZ 2.82Å; S198-K270 WeakPolarHBondContact O-CD 3.34Å; S198-K270 WeakPolarHBondContact O-CE 3.5Å; S198-K270 PolarHBondContact O-NZ 2.83Å; A200-K270 WeakPolarHBondContact CA-O 3.33Å; L201-K270 PolarHBondContact N-O 2.83Å; V264-K270 HydrophobicContact CG1-CG 4.48Å; P267-K270 WeakPolarHBondContact O-CE 3.27Å; P267-K270 WeakPolarHBondContact O-CG 3.49Å; K270-Y450 PolarHBondContact N-OH 3.44Å
271M96.6Very high93.5Very high5 Ų530.8 Ų30.83%0.02516%0.163CC..EExtended strand (participates in β ladder)trans-84.9119.4-173.1-94.5-175.1-60.400111.8Y195 L201 V203 N398 L402 L406 V446 Y450Y195-M271 HydrophobicContact CE2-CE 4.18Å; Y195-M271 HydrophobicContact CE2-CG 4.03Å; Y195-M271 HydrophobicContact CE2-SD 4.22Å; Y195-M271 WeakPolarHBondContact OH-CE 3.36Å; Y195-M271 WeakPolarHBondContact OH-CG 3.24Å; L201-M271 HydrophobicContact CB-CG 4.44Å; V203-M271 HydrophobicContact CG2-CG 4.48Å; M271-N398 PolarHBondContact O-OD1 3.4Å; M271-L402 HydrophobicContact CB-CD1 3.86Å; M271-L402 HydrophobicContact CG-CD1 4.08Å; M271-L402 HydrophobicContact SD-CB 4.04Å; M271-L402 HydrophobicContact SD-CD1 4.14Å; M271-L406 HydrophobicContact CE-CD2 3.49Å; M271-L406 VanDerWaalsContact CE-CD2 3.49Å; M271-L406 HydrophobicContact SD-CD2 4.27Å; M271-V446 HydrophobicContact CE-CG1 3.54Å; M271-Y450 HydrophobicContact CB-CE2 4.48Å; M271-Y450 HydrophobicContact CE-CD2 4.09Å; M271-Y450 HydrophobicContact CE-CE2 3.79Å; M271-Y450 PolarHBondContact N-OH 3.21Å; M271-Y450 VanDerWaalsContact N-OH 3.09Å
272L97.5Very high93.3Very high0 Ų028.7 Ų28.70%015%0.153CC..EExtended strand (participates in β ladder)trans-113.3131.7-178-54.1-178.6000110.4A200 L201 L202 V203 L263 V264 V396 N398A200-L272 HydrophobicContact CB-CD1 3.77Å; A200-L272 HydrophobicContact CB-CG 4.26Å; L201-L272 PolarHBondContact O-N 3.29Å; L202-L272 HydrophobicContact CD1-CB 3.91Å; V203-L272 PolarHBondContact N-O 3Å; L263-L272 HydrophobicContact CB-CD1 4.33Å; L263-L272 HydrophobicContact CB-CD2 3.78Å; L263-L272 HydrophobicContact CD1-CD1 3.97Å; L263-L272 HydrophobicContact CD1-CD2 4.32Å; V264-L272 HydrophobicContact CG2-CD2 4.4Å; L272-V396 HydrophobicContact CB-CG1 4.15Å; L272-V396 HydrophobicContact CD1-CG1 4.42Å; L272-N398 HydrophobicContact CD2-CB 3.77Å
273G95.8Very high93.1Very high2 Ų234.8 Ų34.82%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-104.4148.6168.800000112V396 S397G273-V396 CarbonylContact O-C 3.59Å; G273-V396 VanDerWaalsContact O-CA 3.31Å; G273-V396 WeakPolarHBondContact O-CA 3.33Å; G273-S397 PolarHBondContact N-O 3.46Å; G273-S397 PolarHBondContact O-N 3.2Å
274L95.6Very high92.8Very high18 Ų1837 Ų379%0.09420%0.201CC..EExtended strand (participates in β ladder)trans-123130.9178175.456.1000111.1L202 Q234 V238 L395 V396L202-L274 HydrophobicContact CD1-CB 4.1Å; Q234-L274 HydrophobicContact CB-CD2 3.67Å; Q234-L274 HydrophobicContact CB-CG 4.18Å; Q234-L274 WeakPolarHBondContact O-CD2 3.44Å; V238-L274 HydrophobicContact CG2-CD1 3.78Å; V238-L274 HydrophobicContact CG2-CD2 3.79Å; V238-L274 HydrophobicContact CG2-CG 4.48Å; L274-L395 WeakPolarHBondContact CA-O 3.45Å; L274-V396 HydrophobicContact CD1-CG2 3.99Å
275R94.2Very high92.4Very high4 Ų437.6 Ų37.62%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-124.6141.1172.8-60.8174.7-177.893.3-6.8108.5L299 M302 N306 A307 S394 L395R275-L299 HydrophobicContact CB-CD1 4.34Å; R275-M302 HydrophobicContact CB-CE 4.16Å; R275-M302 HydrophobicContact CG-CE 4.36Å; R275-N306 PolarHBondContact NH2-OD1 3.4Å; R275-N306 VanDerWaalsContact NH2-OD1 3.1Å; R275-A307 WeakPolarHBondContact CD-O 3.49Å; R275-A307 PolarHBondContact NE-O 3.4Å; R275-S394 CarbonylContact O-C 3.55Å; R275-S394 VanDerWaalsContact O-CA 3.3Å; R275-S394 WeakPolarHBondContact O-CA 3.35Å; R275-L395 HydrophobicContact CB-CB 4.47Å; R275-L395 PolarHBondContact N-O 3Å; R275-L395 PolarHBondContact O-N 2.99Å
276N93.6Very high92.1Very high12 Ų1239.3 Ų39.36%0.06422%0.222CC..EExtended strand (participates in β ladder)trans-137.2135.6179.9-164.318.2000110Q234 Q279 A393 S394Q234-N276 HydrophobicContact CG-CB 3.91Å; N276-Q279 WeakPolarHBondContact O-CG 3.44Å; N276-A393 PolarHBondContact OD1-O 3.26Å; N276-S394 PolarHBondContact OD1-OG 3.26Å
277I94.4Very high91.8Very high2 Ų245.5 Ų45.51%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-137.8150.6176.261.8170.9000110.1L295 H298 L299 M302 E310 S392 A393I277-L295 HydrophobicContact CD1-CB 3.96Å; I277-L295 HydrophobicContact CD1-CD2 3.89Å; I277-L295 WeakPolarHBondContact CD1-O 3.25Å; I277-L295 HydrophobicContact CG1-CD2 4.13Å; I277-H298 HydrophobicContact CD1-CB 4.38Å; I277-L299 HydrophobicContact CD1-CB 3.82Å; I277-L299 HydrophobicContact CD1-CD1 4.27Å; I277-L299 HydrophobicContact CD1-CG 4.5Å; I277-L299 HydrophobicContact CG1-CD1 4.26Å; I277-M302 HydrophobicContact CG2-CE 4.27Å; I277-M302 HydrophobicContact CG2-SD 3.83Å; I277-E310 HydrophobicContact CG2-CG 3.67Å; I277-S392 WeakPolarHBondContact O-CA 3.38Å; I277-A393 HydrophobicContact CG1-CB 4.08Å; I277-A393 WeakPolarHBondContact CG1-O 3.21Å; I277-A393 PolarHBondContact N-O 3.08Å; I277-A393 PolarHBondContact O-N 2.91Å; I277-A393 VanDerWaalsContact O-O 3.13Å
278P92.8Very high91.7Very high2 Ų242.8 Ų42.81%0.01323%0.227CC..  cis-72.8162.6-10.332.8-38.2000112.7M280 F290 Y389 K391P278-M280 HydrophobicContact CB-CE 4.09Å; P278-F290 HydrophobicContact CB-CD1 4.19Å; P278-F290 HydrophobicContact CB-CE1 3.5Å; P278-F290 VanDerWaalsContact CB-CE1 3.5Å; P278-F290 HydrophobicContact CB-CZ 3.91Å; P278-F290 HydrophobicContact CG-CD1 4Å; P278-F290 HydrophobicContact CG-CE1 3.52Å; P278-F290 HydrophobicContact CG-CE2 4.17Å; P278-F290 HydrophobicContact CG-CZ 3.6Å; P278-Y389 HydrophobicContact CB-CD1 4.48Å; P278-Y389 HydrophobicContact CB-CE1 4.2Å; P278-Y389 HydrophobicContact CG-CD1 3.36Å; P278-Y389 HydrophobicContact CG-CD2 4.49Å; P278-Y389 HydrophobicContact CG-CE1 3.51Å; P278-Y389 HydrophobicContact CG-CG 3.9Å; P278-K391 WeakPolarHBondContact CD-O 3.33Å
279Q89.5Confident91.5Very high21 Ų2146.6 Ų46.610%0.09825%0.254CS..  trans-131.6117.4168.8-71.8-176.1-23.700109L216 N276L216-Q279 HydrophobicContact CB-CB 4.4Å; L216-Q279 HydrophobicContact CD1-CB 3.84Å; N276-Q279 WeakPolarHBondContact O-CG 3.44Å
280M90.8Very high91.3Very high33 Ų3347.1 Ų47.116%0.16326%0.256CS..  trans-163.2163.5-176.762.3176.563.700111.6P278 L285 S288 F290 Y389P278-M280 HydrophobicContact CB-CE 4.09Å; M280-L285 HydrophobicContact CG-CD2 4.12Å; M280-L285 HydrophobicContact SD-CD2 4.06Å; M280-S288 PolarHBondContact SD-OG 3.39Å; M280-S288 VanDerWaalsContact SD-OG 3.33Å; M280-F290 HydrophobicContact CE-CE1 3.63Å; M280-F290 HydrophobicContact CE-CZ 3.51Å; M280-F290 HydrophobicContact SD-CZ 3.88Å; M280-Y389 HydrophobicContact CG-CE1 3.84Å; M280-Y389 PolarHBondContact N-OH 3.1Å; M280-Y389 VanDerWaalsContact N-OH 3.09Å; M280-Y389 PolarHBondContact O-OH 2.78Å; M280-Y389 VanDerWaalsContact O-OH 3.12Å; M280-Y389 HydrophobicContact SD-CE1 4.47Å
281P89.8Confident91.2Very high31 Ų3149 Ų4920%0.20127%0.273CS..  trans-67.1150.1177.4-1228.7000111L216 M217 N218 N283 S284L216-P281 VanDerWaalsContact O-CD 3.31Å; L216-P281 WeakPolarHBondContact O-CD 3.39Å; M217-P281 WeakPolarHBondContact O-CG 3.34Å; N218-P281 HydrophobicContact CB-CG 4.35Å; P281-N283 PolarHBondContact O-N 3.48Å; P281-S284 WeakPolarHBondContact O-CB 3.27Å; P281-S284 PolarHBondContact O-N 3.21Å
282E85.9Confident91.1Very high113 Ų11349 Ų4953%0.52827%0.272SS..Hα-helixtrans-58-36.1-178.5-62-166.9172.500113.2S284 L285 K388E282-S284 PolarHBondContact O-N 2.62Å; E282-L285 HydrophobicContact CB-CD1 4.31Å; E282-L285 VanDerWaalsContact O-CB 3.29Å; E282-L285 WeakPolarHBondContact O-CB 3.37Å; E282-L285 WeakPolarHBondContact O-CG 3.46Å; E282-L285 PolarHBondContact O-N 3.43Å; E282-L285 VanDerWaalsContact O-N 3.11Å; E282-K388 IonicContact OE1-NZ 2.78Å; E282-K388 PolarHBondContact OE1-NZ 2.8Å; E282-K388 IonicContact OE2-NZ 3.81Å; E282-K388 PolarHBondContact OE2-NZ 2.81Å
283N87.7Confident91Very high141 Ų14153.9 Ų53.975%0.75430%0.304SS*.Hα-helixtrans-63.5-22.5179.3-64-17.4000113P281 Y287P281-N283 PolarHBondContact O-N 3.48Å; N283-Y287 WeakPolarHBondContact O-CD2 3.41Å; N283-Y287 WeakPolarHBondContact O-CE2 3.39Å
284S89.6Confident90.9Very high48 Ų4854.9 Ų54.934%0.33631%0.314SS..Hα-helixtrans-86.4-16.9179-57.70000113P281 E282 A286 Y287 S288P281-S284 WeakPolarHBondContact O-CB 3.27Å; P281-S284 PolarHBondContact O-N 3.21Å; E282-S284 PolarHBondContact O-N 2.62Å; S284-A286 VanDerWaalsContact C-N 3.34Å; S284-A286 PolarHBondContact O-N 3.36Å; S284-Y287 PolarHBondContact O-N 3.15Å; S284-S288 PolarHBondContact O-N 2.85Å; S284-S288 PolarHBondContact O-OG 3.02Å
285L86.4Confident90.9Very high37 Ų3754.4 Ų54.419%0.19431%0.312CS..Hα-helixtrans-58.7-43.6-177.9-68.7173.2000112.4M280 E282 Y287 S288 K388 Y389M280-L285 HydrophobicContact CG-CD2 4.12Å; M280-L285 HydrophobicContact SD-CD2 4.06Å; E282-L285 HydrophobicContact CB-CD1 4.31Å; E282-L285 VanDerWaalsContact O-CB 3.29Å; E282-L285 WeakPolarHBondContact O-CB 3.37Å; E282-L285 WeakPolarHBondContact O-CG 3.46Å; E282-L285 PolarHBondContact O-N 3.43Å; E282-L285 VanDerWaalsContact O-N 3.11Å; L285-Y287 PolarHBondContact O-N 3.07Å; L285-Y287 VanDerWaalsContact O-N 3.12Å; L285-S288 PolarHBondContact O-N 3.46Å; L285-S288 VanDerWaalsContact O-N 3.14Å; L285-K388 HydrophobicContact CD1-CB 3.93Å; L285-K388 HydrophobicContact CD1-CD 4.47Å; L285-Y389 HydrophobicContact CD2-CD1 3.38Å; L285-Y389 HydrophobicContact CD2-CE1 3.15Å; L285-Y389 HydrophobicContact CD2-CG 4.47Å; L285-Y389 HydrophobicContact CG-CE1 4.49Å
286A85.9Confident91Very high90 Ų9054.5 Ų54.574%0.74431%0.312SS*.THydrogen-bonded Turntrans-63.7-18.7-177.500000113.6S284S284-A286 VanDerWaalsContact C-N 3.34Å; S284-A286 PolarHBondContact O-N 3.36Å
287Y88.2Confident91Very high206 Ų20660.1 Ų60.181%0.80834%0.337SS*.THydrogen-bonded Turntrans-108.43-178.2-51.5-73.5000112.9N283 S284 L285N283-Y287 WeakPolarHBondContact O-CD2 3.41Å; N283-Y287 WeakPolarHBondContact O-CE2 3.39Å; S284-Y287 PolarHBondContact O-N 3.15Å; L285-Y287 PolarHBondContact O-N 3.07Å; L285-Y287 VanDerWaalsContact O-N 3.12Å
288S87.8Confident91.1Very high36 Ų3662.9 Ų62.925%0.25235%0.349SS..  trans-107.7141.4-175.2-60.40000110.4M280 S284 L285M280-S288 PolarHBondContact SD-OG 3.39Å; M280-S288 VanDerWaalsContact SD-OG 3.33Å; S284-S288 PolarHBondContact O-N 2.85Å; S284-S288 PolarHBondContact O-OG 3.02Å; L285-S288 PolarHBondContact O-N 3.46Å; L285-S288 VanDerWaalsContact O-N 3.14Å
289T88Confident91.2Very high135 Ų13562.8 Ų62.883%0.82835%0.349SS*.  trans-124.9132.4174.753.10000109.3
290F90.6Very high91.5Very high28 Ų2863.7 Ų63.712%0.12335%0.351CS..  trans-111.9129.5-175.7-55.5-69.5000111P278 M280 L295 Y389 E390 K391P278-F290 HydrophobicContact CB-CD1 4.19Å; P278-F290 HydrophobicContact CB-CE1 3.5Å; P278-F290 VanDerWaalsContact CB-CE1 3.5Å; P278-F290 HydrophobicContact CB-CZ 3.91Å; P278-F290 HydrophobicContact CG-CD1 4Å; P278-F290 HydrophobicContact CG-CE1 3.52Å; P278-F290 HydrophobicContact CG-CE2 4.17Å; P278-F290 HydrophobicContact CG-CZ 3.6Å; M280-F290 HydrophobicContact CE-CE1 3.63Å; M280-F290 HydrophobicContact CE-CZ 3.51Å; M280-F290 HydrophobicContact SD-CZ 3.88Å; F290-L295 HydrophobicContact CB-CD1 4.25Å; F290-L295 HydrophobicContact CD1-CD2 4.28Å; F290-Y389 HydrophobicContact CE2-CD1 4.17Å; F290-Y389 HydrophobicContact CZ-CD1 4.27Å; F290-E390 HydrophobicContact CD2-CG 4Å; F290-E390 PolarHBondContact N-OE1 3.42Å; F290-K391 HydrophobicContact CB-CB 4.13Å; F290-K391 HydrophobicContact CB-CD 4.36Å; F290-K391 WeakPolarHBondContact O-CD 3.41Å; F290-K391 PolarHBondContact O-NZ 3.15Å
291S94.1Very high91.7Very high65 Ų6562.3 Ų62.346%0.45534%0.344SS..  trans-116137.9172.971.30000109.6G294 L295S291-G294 PolarHBondContact O-N 3.46Å; S291-G294 VanDerWaalsContact O-N 3.11Å; S291-G294 PolarHBondContact OG-N 3.32Å; S291-L295 PolarHBondContact O-N 3.45Å
292W95.3Very high91.9Very high5 Ų560.9 Ų60.92%0.01934%0.335CS..Hα-helixtrans-56.7-44.8176.9-69122.3000112.5G294 L295 I296 L348 R349 K351 D352 M353 A356 K391 A393W292-G294 VanDerWaalsContact C-N 3.26Å; W292-G294 PolarHBondContact O-N 2.91Å; W292-L295 HydrophobicContact CE3-CD1 4.02Å; W292-L295 HydrophobicContact CZ3-CD1 4.02Å; W292-L295 PolarHBondContact O-N 2.93Å; W292-I296 WeakPolarHBondContact O-CB 3.28Å; W292-I296 VanDerWaalsContact O-CG1 3.25Å; W292-I296 WeakPolarHBondContact O-CG1 3.5Å; W292-I296 PolarHBondContact O-N 3.45Å; W292-L348 HydrophobicContact CE3-CD2 4.15Å; W292-L348 HydrophobicContact CH2-CB 4.06Å; W292-L348 HydrophobicContact CH2-CD2 4.42Å; W292-L348 HydrophobicContact CZ3-CB 4.15Å; W292-L348 HydrophobicContact CZ3-CD2 3.67Å; W292-L348 HydrophobicContact CZ3-CG 4.34Å; W292-R349 WeakPolarHBondContact CH2-O 3.37Å; W292-K351 WeakPolarHBondContact CZ2-O 3.24Å; W292-K351 PolarHBondContact NE1-O 3.16Å; W292-D352 VanDerWaalsContact NE1-C 3.34Å; W292-D352 PolarHBondContact NE1-O 3.27Å; W292-D352 VanDerWaalsContact NE1-O 3.16Å; W292-M353 HydrophobicContact CH2-CB 4.41Å; W292-M353 HydrophobicContact CZ2-CB 3.8Å; W292-A356 HydrophobicContact CB-CB 3.78Å; W292-A356 HydrophobicContact CD2-CB 3.95Å; W292-A356 HydrophobicContact CE3-CB 4.27Å; W292-A356 HydrophobicContact CG-CB 3.74Å; W292-K391 HydrophobicContact CD2-CD 4.19Å; W292-K391 HydrophobicContact CG-CD 4.46Å; W292-K391 HydrophobicContact CH2-CB 3.84Å; W292-K391 HydrophobicContact CH2-CG 4.22Å; W292-K391 HydrophobicContact CZ2-CB 3.85Å; W292-K391 HydrophobicContact CZ2-CD 4.08Å; W292-K391 HydrophobicContact CZ2-CG 3.69Å; W292-K391 HydrophobicContact CZ3-CB 4.27Å; W292-A393 HydrophobicContact CZ3-CB 4.47Å
293P95.3Very high92.3Very high103 Ų10355.6 Ų55.667%0.66931%0.31SS*.Hα-helixtrans-57.2-38.6175.4-26.335.9000113.2K297P293-K297 WeakPolarHBondContact O-CB 3.36Å; P293-K297 PolarHBondContact O-N 3.19Å; P293-K297 VanDerWaalsContact O-N 3.1Å
294G94.4Very high92.6Very high23 Ų2348.9 Ų48.924%0.23727%0.274CS..Hα-helixtrans-64.3-54175.900000112.2S291 W292 K297 H298S291-G294 PolarHBondContact O-N 3.46Å; S291-G294 VanDerWaalsContact O-N 3.11Å; S291-G294 PolarHBondContact OG-N 3.32Å; W292-G294 VanDerWaalsContact C-N 3.26Å; W292-G294 PolarHBondContact O-N 2.91Å; G294-K297 PolarHBondContact O-N 3.21Å; G294-H298 PolarHBondContact O-N 3.09Å; G294-H298 VanDerWaalsContact O-N 3.09Å; G294-H298 PolarHBondContact O-ND1 2.69Å
295L95.3Very high92.7Very high8 Ų847.5 Ų47.54%0.04227%0.266CS..Hα-helixtrans-59.7-50.9-179.3-66.9176.2000111.5I277 F290 S291 W292 K297 H298 L299 K391I277-L295 HydrophobicContact CD1-CB 3.96Å; I277-L295 HydrophobicContact CD1-CD2 3.89Å; I277-L295 WeakPolarHBondContact CD1-O 3.25Å; I277-L295 HydrophobicContact CG1-CD2 4.13Å; F290-L295 HydrophobicContact CB-CD1 4.25Å; F290-L295 HydrophobicContact CD1-CD2 4.28Å; S291-L295 PolarHBondContact O-N 3.45Å; W292-L295 HydrophobicContact CE3-CD1 4.02Å; W292-L295 HydrophobicContact CZ3-CD1 4.02Å; W292-L295 PolarHBondContact O-N 2.93Å; L295-K297 VanDerWaalsContact C-N 3.31Å; L295-K297 PolarHBondContact O-N 2.87Å; L295-H298 PolarHBondContact O-N 3.36Å; L295-L299 WeakPolarHBondContact O-CB 3.4Å; L295-L299 PolarHBondContact O-N 3.1Å; L295-K391 HydrophobicContact CD1-CB 4.01Å
296I95.8Very high92.9Very high5 Ų548.3 Ų48.33%0.02627%0.271CS..Hα-helixtrans-60.9-40.5-179.3-63.6-49.4000111.4W292 L299 R300 L348 D357 L358 F361W292-I296 WeakPolarHBondContact O-CB 3.28Å; W292-I296 VanDerWaalsContact O-CG1 3.25Å; W292-I296 WeakPolarHBondContact O-CG1 3.5Å; W292-I296 PolarHBondContact O-N 3.45Å; I296-L299 PolarHBondContact O-N 3.44Å; I296-R300 WeakPolarHBondContact O-CB 3.32Å; I296-R300 PolarHBondContact O-N 2.89Å; I296-L348 HydrophobicContact CD1-CD2 3.71Å; I296-D357 WeakPolarHBondContact CG2-O 3.45Å; I296-L358 HydrophobicContact CD1-CD2 3.72Å; I296-L358 HydrophobicContact CD1-CG 3.99Å; I296-L358 HydrophobicContact CG1-CG 4.31Å; I296-L358 HydrophobicContact CG2-CG 4.33Å; I296-F361 HydrophobicContact CG2-CD2 4.1Å; I296-F361 HydrophobicContact CG2-CE2 3.76Å
297K94.6Very high93.1Very high131 Ų13144.7 Ų44.757%0.5724%0.24SC*.Hα-helixtrans-61.4-46.6176.8179.6-175.5174.4-172.70112P293 G294 L295 Q301 W315P293-K297 WeakPolarHBondContact O-CB 3.36Å; P293-K297 PolarHBondContact O-N 3.19Å; P293-K297 VanDerWaalsContact O-N 3.1Å; G294-K297 PolarHBondContact O-N 3.21Å; L295-K297 VanDerWaalsContact C-N 3.31Å; L295-K297 PolarHBondContact O-N 2.87Å; K297-Q301 PolarHBondContact O-N 2.79Å; K297-W315 HydrophobicContact CD-CZ3 4.38Å; K297-W315 HydrophobicContact CG-CH2 4.2Å; K297-W315 HydrophobicContact CG-CZ3 4.05Å
298H95.1Very high93.1Very high60 Ų6036.9 Ų36.928%0.27821%0.214SC..Hα-helixtrans-66-47.2178.5-72.280.2000110.8I277 G294 L295 R300 Q301 M302 E310 W315I277-H298 HydrophobicContact CD1-CB 4.38Å; G294-H298 PolarHBondContact O-N 3.09Å; G294-H298 VanDerWaalsContact O-N 3.09Å; G294-H298 PolarHBondContact O-ND1 2.69Å; L295-H298 PolarHBondContact O-N 3.36Å; H298-R300 VanDerWaalsContact C-N 3.31Å; H298-R300 PolarHBondContact O-N 3.28Å; H298-Q301 PolarHBondContact O-N 2.71Å; H298-M302 VanDerWaalsContact O-CG 3.27Å; H298-M302 WeakPolarHBondContact O-CG 3.45Å; H298-M302 PolarHBondContact O-N 3.35Å; H298-E310 IonicContact CG-OE1 3.93Å; H298-W315 AromaticContact CD2-CH2 3.87Å; H298-W315 AromaticContact CD2-CZ2 3.59Å; H298-W315 AromaticContact NE2-CH2 3.98Å; H298-W315 AromaticContact NE2-CZ2 3.67Å
299L95.5Very high93.1Very high0 Ų036 Ų360%021%0.206CC..Hα-helixtrans-59.3-41.7-179.9-163.959.6000112.3R275 I277 L295 I296 M302 L303 V346 F361 A393 L395R275-L299 HydrophobicContact CB-CD1 4.34Å; I277-L299 HydrophobicContact CD1-CB 3.82Å; I277-L299 HydrophobicContact CD1-CD1 4.27Å; I277-L299 HydrophobicContact CD1-CG 4.5Å; I277-L299 HydrophobicContact CG1-CD1 4.26Å; L295-L299 WeakPolarHBondContact O-CB 3.4Å; L295-L299 PolarHBondContact O-N 3.1Å; I296-L299 PolarHBondContact O-N 3.44Å; L299-M302 PolarHBondContact O-N 2.9Å; L299-L303 PolarHBondContact O-N 2.96Å; L299-V346 HydrophobicContact CD2-CG1 4.22Å; L299-V346 HydrophobicContact CD2-CG2 4.43Å; L299-F361 HydrophobicContact CB-CZ 4.26Å; L299-F361 HydrophobicContact CD2-CZ 4.49Å; L299-F361 HydrophobicContact CG-CZ 4.24Å; L299-A393 HydrophobicContact CD2-CB 3.86Å; L299-L395 HydrophobicContact CD1-CB 3.66Å; L299-L395 HydrophobicContact CD1-CD2 4.32Å; L299-L395 HydrophobicContact CD2-CB 3.92Å; L299-L395 HydrophobicContact CG-CB 3.82Å; L299-L395 HydrophobicContact CG-CD2 4.19Å
300R94.9Very high93.1Very high39 Ų3932.1 Ų32.115%0.14718%0.179CC..Hα-helixtrans-65.2-42.9174.4-176.3178.9175.5-78.42.8111.8I296 H298 M302 L303 I304 S360 F361 D363I296-R300 WeakPolarHBondContact O-CB 3.32Å; I296-R300 PolarHBondContact O-N 2.89Å; H298-R300 VanDerWaalsContact C-N 3.31Å; H298-R300 PolarHBondContact O-N 3.28Å; R300-M302 VanDerWaalsContact C-N 3.31Å; R300-L303 WeakPolarHBondContact O-CB 3.18Å; R300-L303 PolarHBondContact O-N 2.75Å; R300-I304 PolarHBondContact O-N 2.88Å; R300-I304 VanDerWaalsContact O-N 3.13Å; R300-S360 VanDerWaalsContact CD-CB 3.48Å; R300-S360 WeakPolarHBondContact CD-O 3.47Å; R300-S360 WeakPolarHBondContact CD-OG 3.07Å; R300-S360 PolarHBondContact NE-O 3.24Å; R300-F361 HydrophobicContact CB-CD2 4.43Å; R300-F361 HydrophobicContact CB-CE1 4.3Å; R300-F361 HydrophobicContact CB-CE2 3.74Å; R300-F361 HydrophobicContact CB-CZ 3.68Å; R300-F361 HydrophobicContact CG-CE2 4.46Å; R300-F361 HydrophobicContact CG-CZ 4.41Å; R300-D363 IonicContact NH2-OD2 3.27Å; R300-D363 PolarHBondContact NH2-OD2 3.08Å
301Q94.9Very high92.8Very high5 Ų535.9 Ų35.92%0.02320%0.197CC..Hα-helixtrans-66.3-38178.7-166.968.733.400111.1K297 H298 L303 I304 A305 I313 D314 W315 V317K297-Q301 PolarHBondContact O-N 2.79Å; H298-Q301 PolarHBondContact O-N 2.71Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.47Å; Q301-I304 WeakPolarHBondContact O-CG1 3.44Å; Q301-I304 PolarHBondContact O-N 3.42Å; Q301-A305 WeakPolarHBondContact O-CB 3.31Å; Q301-A305 PolarHBondContact O-N 2.91Å; Q301-I313 HydrophobicContact CB-CG2 3.93Å; Q301-I313 HydrophobicContact CG-CG2 3.2Å; Q301-D314 PolarHBondContact NE2-O 2.79Å; Q301-W315 HydrophobicContact CB-CE3 4.01Å; Q301-W315 HydrophobicContact CB-CH2 3.98Å; Q301-W315 HydrophobicContact CB-CZ3 3.62Å; Q301-W315 HydrophobicContact CG-CD2 3.93Å; Q301-W315 HydrophobicContact CG-CE3 3.53Å; Q301-W315 HydrophobicContact CG-CH2 4.29Å; Q301-W315 HydrophobicContact CG-CZ3 3.72Å; Q301-V317 PolarHBondContact NE2-O 3.41Å
302M94.5Very high92.3Very high1 Ų136.6 Ų36.61%0.00521%0.214CC..Hα-helixtrans-59.7-41.9174-69.5170.264.800111.7R275 I277 H298 L299 R300 N306 A307 M309 E310 I313R275-M302 HydrophobicContact CB-CE 4.16Å; R275-M302 HydrophobicContact CG-CE 4.36Å; I277-M302 HydrophobicContact CG2-CE 4.27Å; I277-M302 HydrophobicContact CG2-SD 3.83Å; H298-M302 VanDerWaalsContact O-CG 3.27Å; H298-M302 WeakPolarHBondContact O-CG 3.45Å; H298-M302 PolarHBondContact O-N 3.35Å; L299-M302 PolarHBondContact O-N 2.9Å; R300-M302 VanDerWaalsContact C-N 3.31Å; M302-N306 CarbonylContact O-C 3.52Å; M302-N306 WeakPolarHBondContact O-CA 3.4Å; M302-N306 PolarHBondContact O-N 2.9Å; M302-N306 VanDerWaalsContact O-N 3.15Å; M302-A307 HydrophobicContact CB-CB 4.35Å; M302-A307 HydrophobicContact CG-CB 4.28Å; M302-A307 PolarHBondContact O-N 2.88Å; M302-M309 VanDerWaalsContact CE-CA 3.45Å; M302-E310 HydrophobicContact SD-CG 4.04Å; M302-I313 HydrophobicContact CG-CD1 3.43Å; M302-I313 VanDerWaalsContact CG-CD1 3.43Å; M302-I313 HydrophobicContact CG-CG1 3.78Å; M302-I313 HydrophobicContact SD-CD1 4.32Å
303L94.2Very high92Very high1 Ų137 Ų371%0.00522%0.217CC..Hα-helixtrans-58.1-55.6174.517861.4000111.4L299 R300 Q301 N306 N339 S341 N344 F361 L395 S397L299-L303 PolarHBondContact O-N 2.96Å; R300-L303 WeakPolarHBondContact O-CB 3.18Å; R300-L303 PolarHBondContact O-N 2.75Å; Q301-L303 VanDerWaalsContact C-N 3.31Å; Q301-L303 PolarHBondContact O-N 3.47Å; L303-N306 PolarHBondContact O-N 3.4Å; L303-N339 WeakPolarHBondContact O-CB 3.41Å; L303-N339 PolarHBondContact O-ND2 3.15Å; L303-S341 WeakPolarHBondContact CD1-OG 3.49Å; L303-N344 VanDerWaalsContact CD2-ND2 3.29Å; L303-N344 WeakPolarHBondContact CD2-ND2 3.44Å; L303-F361 HydrophobicContact CD2-CD1 4.23Å; L303-F361 HydrophobicContact CD2-CE1 3.94Å; L303-L395 HydrophobicContact CB-CD2 3.78Å; L303-L395 HydrophobicContact CD1-CD2 4.01Å; L303-L395 HydrophobicContact CD2-CD2 4.31Å; L303-L395 HydrophobicContact CG-CD2 4.24Å; L303-S397 WeakPolarHBondContact CD1-OG 3.3Å
304I93.6Very high91.6Very high0 Ų035.2 Ų35.20%020%0.202CC..Hα-helixtrans-73.6-32.7-171.868179.2000113.4R300 Q301 N306 V317 F338 N339 L366R300-I304 PolarHBondContact O-N 2.88Å; R300-I304 VanDerWaalsContact O-N 3.13Å; Q301-I304 WeakPolarHBondContact O-CG1 3.44Å; Q301-I304 PolarHBondContact O-N 3.42Å; I304-N306 VanDerWaalsContact C-N 3.25Å; I304-V317 WeakPolarHBondContact CD1-O 3.44Å; I304-V317 HydrophobicContact CG1-CG1 4.42Å; I304-V317 WeakPolarHBondContact O-CG1 3.41Å; I304-F338 HydrophobicContact CB-CD2 3.99Å; I304-F338 HydrophobicContact CB-CE2 3.76Å; I304-F338 HydrophobicContact CG2-CD2 4.44Å; I304-F338 HydrophobicContact CG2-CE2 3.71Å; I304-N339 PolarHBondContact O-N 3.47Å; I304-L366 HydrophobicContact CG2-CD2 3.33Å
305A91.9Very high91.4Very high20 Ų2038.6 Ų38.617%0.16521%0.207CC..THydrogen-bonded Turntrans-86.22.4178.400000112.9Q301 A307 D314 V317Q301-A305 WeakPolarHBondContact O-CB 3.31Å; Q301-A305 PolarHBondContact O-N 2.91Å; A305-A307 PolarHBondContact O-N 2.9Å; A305-D314 HydrophobicContact CB-CB 4.37Å; A305-D314 WeakPolarHBondContact CB-O 3.42Å; A305-V317 HydrophobicContact CB-CB 4.12Å; A305-V317 HydrophobicContact CB-CG2 4.07Å
306N90.5Very high91.1Very high54 Ų5445 Ų4529%0.28924%0.237SC..THydrogen-bonded Turntrans52.132.3-172.2-153.722.6000114.2R275 M302 L303 I304 N339 L401R275-N306 PolarHBondContact NH2-OD1 3.4Å; R275-N306 VanDerWaalsContact NH2-OD1 3.1Å; M302-N306 CarbonylContact O-C 3.52Å; M302-N306 WeakPolarHBondContact O-CA 3.4Å; M302-N306 PolarHBondContact O-N 2.9Å; M302-N306 VanDerWaalsContact O-N 3.15Å; L303-N306 PolarHBondContact O-N 3.4Å; I304-N306 VanDerWaalsContact C-N 3.25Å; N306-N339 HydrophobicContact CB-CB 3.89Å; N306-L401 VanDerWaalsContact OD1-CA 3.31Å; N306-L401 WeakPolarHBondContact OD1-CA 3.46Å; N306-L401 WeakPolarHBondContact OD1-CB 3.41Å; N306-L401 WeakPolarHBondContact OD1-CD1 3.47Å
307A91.2Very high90.7Very high13 Ų1345 Ų4511%0.10724%0.237CC..  trans-79.7142.4178.900000110.1R275 M302 A305 I313R275-A307 WeakPolarHBondContact CD-O 3.49Å; R275-A307 PolarHBondContact NE-O 3.4Å; M302-A307 HydrophobicContact CB-CB 4.35Å; M302-A307 HydrophobicContact CG-CB 4.28Å; M302-A307 PolarHBondContact O-N 2.88Å; A305-A307 PolarHBondContact O-N 2.9Å; A307-I313 HydrophobicContact CB-CB 4.48Å; A307-I313 HydrophobicContact CB-CG1 3.84Å
308T86.7Confident90.4Very high42 Ų4246.4 Ų46.426%0.25824%0.239SC..SBendtrans-90.9-18.7-179.554.80000113.1V208V208-T308 HydrophobicContact CB-CG2 4.49Å; V208-T308 VanDerWaalsContact CG1-CB 3.44Å; V208-T308 HydrophobicContact CG1-CG2 3.73Å; V208-T308 HydrophobicContact CG2-CG2 3.88Å
309M89.8Confident89.9Confident18 Ų1844.6 Ų44.69%0.08923%0.233CC..SBendtrans-148.1172.7178.957-163.5164.700111.7K211 I212 L216 M302 E311 I313K211-M309 HydrophobicContact CB-CE 4.15Å; I212-M309 HydrophobicContact CG1-CB 4.28Å; I212-M309 HydrophobicContact CG1-SD 3.99Å; L216-M309 HydrophobicContact CD1-CB 3.71Å; L216-M309 HydrophobicContact CD1-CG 4.48Å; L216-M309 HydrophobicContact CD1-SD 4.33Å; L216-M309 HydrophobicContact CG-SD 4.31Å; M302-M309 VanDerWaalsContact CE-CA 3.45Å; M309-E311 WeakPolarHBondContact CG-O 3.44Å; M309-I313 WeakPolarHBondContact O-CG1 3.24Å
310E86Confident89.2Confident54 Ų5447.3 Ų47.325%0.25225%0.25SS..SBendtrans-66.8-35.2-178.5-65.4-177.895.600112.9I277 H298 M302 I313I277-E310 HydrophobicContact CG2-CG 3.67Å; H298-E310 IonicContact CG-OE1 3.93Å; M302-E310 HydrophobicContact SD-CG 4.04Å; E310-I313 WeakPolarHBondContact O-CD1 3.48Å; E310-I313 VanDerWaalsContact O-CG1 3.31Å; E310-I313 WeakPolarHBondContact O-CG1 3.43Å
311E85.2Confident88.2Confident106 Ų10655.5 Ų55.550%0.49528%0.281SS..THydrogen-bonded Turntrans-75.3133173.8-68.7-173.4-17600111.3L216 M309L216-E311 HydrophobicContact CD2-CB 4.27Å; L216-E311 HydrophobicContact CD2-CG 3.75Å; M309-E311 WeakPolarHBondContact CG-O 3.44Å
312G82.8Confident86.5Confident80 Ų8061.6 Ų61.683%0.82532%0.321SS*.THydrogen-bonded Turntrans83.910.4178.600000115.1D314G312-D314 PolarHBondContact O-N 3.11Å
313I89.1Confident84.6Confident14 Ų1465.7 Ų65.77%0.07236%0.363CS..  trans-58126.7170.2-66.9171.5000110.4Q301 M302 A307 M309 E310 W315Q301-I313 HydrophobicContact CB-CG2 3.93Å; Q301-I313 HydrophobicContact CG-CG2 3.2Å; M302-I313 HydrophobicContact CG-CD1 3.43Å; M302-I313 VanDerWaalsContact CG-CD1 3.43Å; M302-I313 HydrophobicContact CG-CG1 3.78Å; M302-I313 HydrophobicContact SD-CD1 4.32Å; A307-I313 HydrophobicContact CB-CB 4.48Å; A307-I313 HydrophobicContact CB-CG1 3.84Å; M309-I313 WeakPolarHBondContact O-CG1 3.24Å; E310-I313 WeakPolarHBondContact O-CD1 3.48Å; E310-I313 VanDerWaalsContact O-CG1 3.31Å; E310-I313 WeakPolarHBondContact O-CG1 3.43Å; I313-W315 HydrophobicContact CD1-CZ2 4.23Å; I313-W315 HydrophobicContact CG2-CD2 4.11Å; I313-W315 HydrophobicContact CG2-CG 4.25Å; I313-W315 HydrophobicContact CG2-CZ2 4.32Å; I313-W315 VanDerWaalsContact O-CD1 3.29Å; I313-W315 PolarHBondContact O-N 3.2Å
314D87.9Confident82.7Confident65 Ų6568.9 Ų68.935%0.34839%0.386SS..  trans-81.3103.5166.9-170.4-13.2000110.6Q301 A305 G312 Q316 V317 L336Q301-D314 PolarHBondContact NE2-O 2.79Å; A305-D314 HydrophobicContact CB-CB 4.37Å; A305-D314 WeakPolarHBondContact CB-O 3.42Å; G312-D314 PolarHBondContact O-N 3.11Å; D314-Q316 PolarHBondContact O-N 3.37Å; D314-Q316 VanDerWaalsContact OD1-CB 3.26Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.45Å; D314-Q316 PolarHBondContact OD1-N 2.8Å; D314-V317 HydrophobicContact CB-CG2 3.94Å; D314-L336 WeakPolarHBondContact OD2-CD2 3.26Å
315W90.5Very high80.3Confident94 Ų9473.4 Ų73.436%0.35642%0.417SS..THydrogen-bonded Turntrans-76.1-6.6179.4-68.993.1000114.2K297 H298 Q301 I313K297-W315 HydrophobicContact CD-CZ3 4.38Å; K297-W315 HydrophobicContact CG-CH2 4.2Å; K297-W315 HydrophobicContact CG-CZ3 4.05Å; H298-W315 AromaticContact CD2-CH2 3.87Å; H298-W315 AromaticContact CD2-CZ2 3.59Å; H298-W315 AromaticContact NE2-CH2 3.98Å; H298-W315 AromaticContact NE2-CZ2 3.67Å; Q301-W315 HydrophobicContact CB-CE3 4.01Å; Q301-W315 HydrophobicContact CB-CH2 3.98Å; Q301-W315 HydrophobicContact CB-CZ3 3.62Å; Q301-W315 HydrophobicContact CG-CD2 3.93Å; Q301-W315 HydrophobicContact CG-CE3 3.53Å; Q301-W315 HydrophobicContact CG-CH2 4.29Å; Q301-W315 HydrophobicContact CG-CZ3 3.72Å; I313-W315 HydrophobicContact CD1-CZ2 4.23Å; I313-W315 HydrophobicContact CG2-CD2 4.11Å; I313-W315 HydrophobicContact CG2-CG 4.25Å; I313-W315 HydrophobicContact CG2-CZ2 4.32Å; I313-W315 VanDerWaalsContact O-CD1 3.29Å; I313-W315 PolarHBondContact O-N 3.2Å
316Q88.7Confident78.2Confident143 Ų14379 Ų7967%0.66845%0.45SS*.THydrogen-bonded Turntrans-83.3-21.2177.2-55.8-173.61.500112.1D314 R318 L336D314-Q316 PolarHBondContact O-N 3.37Å; D314-Q316 VanDerWaalsContact OD1-CB 3.26Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.45Å; D314-Q316 PolarHBondContact OD1-N 2.8Å; Q316-R318 PolarHBondContact O-N 3.47Å; Q316-L336 HydrophobicContact CB-CD1 4.28Å; Q316-L336 HydrophobicContact CB-CD2 4.46Å
317V87.8Confident76Confident5 Ų584 Ų843%0.0348%0.475CS..  trans-65129.4176.9-176.30000110.1Q301 I304 A305 D314 L336 F338Q301-V317 PolarHBondContact NE2-O 3.41Å; I304-V317 WeakPolarHBondContact CD1-O 3.44Å; I304-V317 HydrophobicContact CG1-CG1 4.42Å; I304-V317 WeakPolarHBondContact O-CG1 3.41Å; A305-V317 HydrophobicContact CB-CB 4.12Å; A305-V317 HydrophobicContact CB-CG2 4.07Å; D314-V317 HydrophobicContact CB-CG2 3.94Å; V317-L336 HydrophobicContact CG2-CB 4.34Å; V317-L336 HydrophobicContact CG2-CD2 4.11Å; V317-F338 HydrophobicContact CG1-CB 4.38Å; V317-F338 HydrophobicContact CG1-CD2 4.39Å
318R87.5Confident73.3Confident160 Ų16087.4 Ų87.460%0.60450%0.498SS*.  trans-130.4150.6178.8-61.1-60.9-178-165.40.2110Q316Q316-R318 PolarHBondContact O-N 3.47Å
319P84.6Confident71.1Confident23 Ų2394.8 Ų94.815%0.14953%0.527CS..PPolyproline II helixtrans-58.4148.9169.3-19.632000111.5F338 A365 L366P319-F338 HydrophobicContact CB-CE2 3.89Å; P319-F338 HydrophobicContact CB-CZ 4.25Å; P319-F338 HydrophobicContact CG-CE2 4.08Å; P319-A365 HydrophobicContact CB-CB 3.65Å; P319-L366 HydrophobicContact CB-CD2 4.45Å; P319-L366 HydrophobicContact CG-CD2 3.86Å
320P81.7Confident68.5Low57 Ų57102.9 Ų102.937%0.3756%0.564SS.*PPolyproline II helixtrans-59.7144.4175.423.7-31.4000110.7F338 A365P320-F338 HydrophobicContact CG-CD1 4.36Å; P320-F338 HydrophobicContact CG-CE1 4.32Å; P320-A365 WeakPolarHBondContact O-CB 3.33Å
321R73.8Confident65.9Low211 Ų211103.7 Ų103.780%0.79658%0.576SS**PPolyproline II helixtrans-75.6138.8178.7-68.8-176.5-179.3175.20.6109.5G323 S324R321-G323 PolarHBondContact O-N 3.14Å; R321-G323 VanDerWaalsContact O-N 3.11Å; R321-S324 PolarHBondContact O-N 3.32Å; R321-S324 VanDerWaalsContact O-N 3.14Å; R321-S324 PolarHBondContact O-OG 2.95Å; R321-S324 VanDerWaalsContact O-OG 3.1Å
322P58.2Low63.5Low133 Ų133106.3 Ų106.386%0.86460%0.599SS**THydrogen-bonded Turntrans-55.2120174.7-21.230.6000110.3
323G55.6Low61.2Low86 Ų86106.3 Ų106.389%0.88759%0.586SS**THydrogen-bonded Turntrans96.2-0.9178.900000116.8R321 S325R321-G323 PolarHBondContact O-N 3.14Å; R321-G323 VanDerWaalsContact O-N 3.11Å; G323-S325 PolarHBondContact O-N 2.58Å
324S54.2Low58.8Low68 Ų68115.2 Ų115.248%0.47663%0.625SS.*  trans-80.7109167.562.70000110.1R321 V326R321-S324 PolarHBondContact O-N 3.32Å; R321-S324 VanDerWaalsContact O-N 3.14Å; R321-S324 PolarHBondContact O-OG 2.95Å; R321-S324 VanDerWaalsContact O-OG 3.1Å; S324-V326 PolarHBondContact O-N 3.18Å
325S43.3Very low57Low95 Ų95118 Ų11866%0.66464%0.639SS**  trans-61.4124.2171.159.60000109.9G323 L327G323-S325 PolarHBondContact O-N 2.58Å; S325-L327 PolarHBondContact O-N 3.01Å
326V48Very low55.4Low139 Ų139117.5 Ų117.584%0.84264%0.643SS**  trans-74.866.3168.5-172.20000108.4S324S324-V326 PolarHBondContact O-N 3.18Å
327L42.8Very low54.7Low157 Ų157118 Ų11882%0.82265%0.645SS**  trans-133.884171.3-86.8163.3000107.5S325S325-L327 PolarHBondContact O-N 3.01Å
328S35.5Very low54.7Low86 Ų86119.7 Ų119.760%0.60165%0.652SS**  trans-153.781.3163.3177.10000108.6H330S328-H330 PolarHBondContact O-N 3.49Å
329K39.9Very low54.8Low197 Ų197112.2 Ų112.286%0.85762%0.624SS**  trans-63.9124147.2-72178177.3177.70104.8
330H35.5Very low55.1Low187 Ų187111.6 Ų111.687%0.86662%0.62SS**  trans101.171.4-177.2-51.4-61.2000116.3S328S328-H330 PolarHBondContact O-N 3.49Å
331S31.3Very low55.6Low71 Ų71108.9 Ų108.950%0.49760%0.603SS.*  trans-145.7125147.1171.40000109.5S333S331-S333 VanDerWaalsContact C-N 3.26Å; S331-S333 PolarHBondContact O-N 2.86Å; S331-S333 PolarHBondContact OG-OG 3.05Å
332T34.8Very low56.6Low162 Ų16298.9 Ų98.999%0.99457%0.565SS**  trans-84.622.9-17732.40000113.8
333S35.5Very low58.4Low79 Ų7992.6 Ų92.655%0.55252%0.524SS*.SBendtrans-98.6129.7164.869.20000109.1S331 L335S331-S333 VanDerWaalsContact C-N 3.26Å; S331-S333 PolarHBondContact O-N 2.86Å; S331-S333 PolarHBondContact OG-OG 3.05Å; S333-L335 PolarHBondContact O-N 3.09Å
334K38Very low60.3Low202 Ų20288.5 Ų88.588%0.87848%0.482SS*.  trans-31.9104.8174.1-78.9177174.8177.60110.7L336K334-L336 PolarHBondContact O-N 3.02Å
335L48.9Very low62.3Low123 Ų12385.2 Ų85.264%0.64446%0.46SS*.  trans-58.2112.8172.2-92.4121.4000106.4S333 H337S333-L335 PolarHBondContact O-N 3.09Å; L335-H337 VanDerWaalsContact C-N 3.3Å; L335-H337 PolarHBondContact O-N 2.96Å; L335-H337 PolarHBondContact O-ND1 3.32Å
336L57.1Low64.8Low84 Ų8480.7 Ų80.744%0.4443%0.428SS..  trans-63.498.5168.3-71.1166.7000105.6D314 Q316 V317 K334 F338D314-L336 WeakPolarHBondContact OD2-CD2 3.26Å; Q316-L336 HydrophobicContact CB-CD1 4.28Å; Q316-L336 HydrophobicContact CB-CD2 4.46Å; V317-L336 HydrophobicContact CG2-CB 4.34Å; V317-L336 HydrophobicContact CG2-CD2 4.11Å; K334-L336 PolarHBondContact O-N 3.02Å; L336-F338 PolarHBondContact O-N 3.05Å
337H75.6Confident67Low152 Ų15274.1 Ų74.170%0.70439%0.388SS*.  trans-73.198.1-176.2-79.864000108.3L335L335-H337 VanDerWaalsContact C-N 3.3Å; L335-H337 PolarHBondContact O-N 2.96Å; L335-H337 PolarHBondContact O-ND1 3.32Å
338F87.4Confident69.5Low41 Ų4166.6 Ų66.618%0.1835%0.349CS..  trans-65.8132.6168.1171.1-99.7000109.5I304 V317 P319 P320 L336 A340 A365 L366I304-F338 HydrophobicContact CB-CD2 3.99Å; I304-F338 HydrophobicContact CB-CE2 3.76Å; I304-F338 HydrophobicContact CG2-CD2 4.44Å; I304-F338 HydrophobicContact CG2-CE2 3.71Å; V317-F338 HydrophobicContact CG1-CB 4.38Å; V317-F338 HydrophobicContact CG1-CD2 4.39Å; P319-F338 HydrophobicContact CB-CE2 3.89Å; P319-F338 HydrophobicContact CB-CZ 4.25Å; P319-F338 HydrophobicContact CG-CE2 4.08Å; P320-F338 HydrophobicContact CG-CD1 4.36Å; P320-F338 HydrophobicContact CG-CE1 4.32Å; L336-F338 PolarHBondContact O-N 3.05Å; F338-A340 HydrophobicContact CD1-CB 4.48Å; F338-A340 HydrophobicContact CE1-CB 4.13Å; F338-A340 PolarHBondContact O-N 3.02Å; F338-A365 VanDerWaalsContact CZ-O 3.25Å; F338-A365 WeakPolarHBondContact CZ-O 3.39Å; F338-L366 HydrophobicContact CE2-CD2 4.18Å; F338-L366 HydrophobicContact CZ-CD2 4.22Å
339N89.6Confident72.2Confident4 Ų462.6 Ų62.62%0.02132%0.32CS..  trans-89.9102.5177.1169.851.4000110.4L303 I304 N306 S399 Q400 L401L303-N339 WeakPolarHBondContact O-CB 3.41Å; L303-N339 PolarHBondContact O-ND2 3.15Å; I304-N339 PolarHBondContact O-N 3.47Å; N306-N339 HydrophobicContact CB-CB 3.89Å; N339-S399 PolarHBondContact ND2-OG 2.74Å; N339-S399 WeakPolarHBondContact OD1-CB 3.49Å; N339-S399 PolarHBondContact OD1-OG 2.9Å; N339-Q400 WeakPolarHBondContact OD1-CA 3.23Å; N339-Q400 WeakPolarHBondContact OD1-CB 3.13Å; N339-Q400 PolarHBondContact OD1-N 2.9Å; N339-Q400 VanDerWaalsContact OD1-N 3.1Å; N339-L401 PolarHBondContact OD1-N 2.68Å
340A89.9Confident74.6Confident9 Ų953.2 Ų53.27%0.07428%0.279CS..  trans-71137.1174.800000110.6F338 S399 Q400 L453F338-A340 HydrophobicContact CD1-CB 4.48Å; F338-A340 HydrophobicContact CE1-CB 4.13Å; F338-A340 PolarHBondContact O-N 3.02Å; A340-S399 WeakPolarHBondContact O-CA 3.36Å; A340-S399 WeakPolarHBondContact O-CB 3.49Å; A340-Q400 VanDerWaalsContact N-OE1 3.14Å; A340-Q400 PolarHBondContact O-N 2.92Å; A340-Q400 VanDerWaalsContact O-N 3.16Å; A340-L453 HydrophobicContact CB-CB 4.34Å
341S93Very high77.1Confident1 Ų149 Ų491%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-110.6147.4178.4-51.80000110.8L303 N344 L366 Y367 T368L303-S341 WeakPolarHBondContact CD1-OG 3.49Å; S341-N344 WeakPolarHBondContact CB-ND2 3.41Å; S341-N344 PolarHBondContact OG-ND2 2.93Å; S341-L366 PolarHBondContact N-O 3.19Å; S341-L366 VanDerWaalsContact N-O 3.09Å; S341-Y367 CarbonylContact O-C 3.6Å; S341-Y367 WeakPolarHBondContact O-CA 3.33Å; S341-T368 PolarHBondContact O-N 3.16Å; S341-T368 VanDerWaalsContact O-N 3.15Å
342I94.5Very high79.8Confident0 Ų049.9 Ų49.90%026%0.258CS..EExtended strand (participates in β ladder)trans-88.2-52.4168.5-66.6162.4000108.8P265 F269 T368 W370 L371 A376 N398 Y450 L453P265-I342 HydrophobicContact CG-CG2 3.36Å; F269-I342 HydrophobicContact CB-CD1 3.45Å; F269-I342 VanDerWaalsContact CB-CD1 3.45Å; F269-I342 HydrophobicContact CD1-CD1 3.35Å; F269-I342 HydrophobicContact CD2-CD1 3.7Å; F269-I342 HydrophobicContact CE1-CD1 3.94Å; F269-I342 HydrophobicContact CE2-CD1 4.27Å; F269-I342 HydrophobicContact CG-CD1 3.21Å; F269-I342 HydrophobicContact CZ-CD1 4.38Å; I342-T368 HydrophobicContact CG1-CG2 4.19Å; I342-W370 HydrophobicContact CG1-CZ2 4.45Å; I342-W370 HydrophobicContact CG2-CH2 4.01Å; I342-W370 HydrophobicContact CG2-CZ2 3.88Å; I342-L371 HydrophobicContact CG2-CD1 3.69Å; I342-A376 WeakPolarHBondContact O-CB 3.4Å; I342-N398 HydrophobicContact CB-CB 4.45Å; I342-N398 PolarHBondContact N-O 3.29Å; I342-Y450 HydrophobicContact CD1-CE1 4.18Å; I342-L453 HydrophobicContact CD1-CD1 3.6Å; I342-L453 HydrophobicContact CD1-CD2 3.81Å; I342-L453 HydrophobicContact CD1-CG 4.36Å; I342-L453 HydrophobicContact CG1-CD1 3.75Å; I342-L453 HydrophobicContact CG1-CD2 3.69Å; I342-L453 HydrophobicContact CG1-CG 4.35Å
343A95.7Very high82.3Confident1 Ų142.4 Ų42.41%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-146.7144.5-177.800000111.2T262 P265 A376 N398T262-A343 WeakPolarHBondContact O-CB 3.15Å; P265-A343 HydrophobicContact CG-CB 4.44Å; A343-A376 CarbonylContact C-O 3.59Å; A343-A376 VanDerWaalsContact CA-O 3.27Å; A343-A376 WeakPolarHBondContact CA-O 3.39Å; A343-N398 PolarHBondContact N-O 3.14Å; A343-N398 PolarHBondContact O-N 3Å
344N96.3Very high84.7Confident0 Ų045.9 Ų45.90%022%0.219CC..EExtended strand (participates in β ladder)trans-133.2134.2-178.4-70.8-42000110.8L303 S341 Y367 A376 F377 N378 L395 S397L303-N344 VanDerWaalsContact CD2-ND2 3.29Å; L303-N344 WeakPolarHBondContact CD2-ND2 3.44Å; S341-N344 WeakPolarHBondContact CB-ND2 3.41Å; S341-N344 PolarHBondContact OG-ND2 2.93Å; N344-Y367 HydrophobicContact CB-CE1 4.03Å; N344-Y367 WeakPolarHBondContact ND2-CE1 3.29Å; N344-Y367 PolarHBondContact ND2-OH 3.38Å; N344-A376 PolarHBondContact N-O 3.45Å; N344-F377 HydrophobicContact CB-CD2 4.26Å; N344-F377 WeakPolarHBondContact O-CA 3.43Å; N344-N378 PolarHBondContact O-N 3.09Å; N344-L395 HydrophobicContact CB-CD1 4.07Å; N344-S397 WeakPolarHBondContact OD1-CB 3.1Å; N344-S397 PolarHBondContact OD1-OG 3.01Å
345L95.8Very high87.2Confident0 Ų040.3 Ų40.30%021%0.205CC..EExtended strand (participates in β ladder)trans-118.6118.7171.1171.959.4000109.5L259 T262 L263 I347 N378 W380 L395 V396L259-L345 HydrophobicContact CD1-CD2 3.69Å; T262-L345 HydrophobicContact CG2-CB 3.85Å; T262-L345 HydrophobicContact CG2-CD1 4.2Å; T262-L345 HydrophobicContact CG2-CD2 4.4Å; T262-L345 HydrophobicContact CG2-CG 4.35Å; L263-L345 HydrophobicContact CD1-CB 4.28Å; L263-L345 HydrophobicContact CD1-CD2 4.32Å; L263-L345 HydrophobicContact CD2-CB 3.7Å; L263-L345 HydrophobicContact CG-CB 4.12Å; L345-I347 HydrophobicContact CD1-CG1 4.43Å; L345-I347 HydrophobicContact CD2-CD1 4.22Å; L345-I347 HydrophobicContact CD2-CG1 4.31Å; L345-I347 HydrophobicContact CG-CD1 4.47Å; L345-I347 HydrophobicContact CG-CG1 4.08Å; L345-N378 WeakPolarHBondContact CA-O 3.45Å; L345-N378 HydrophobicContact CD1-CB 4.04Å; L345-W380 HydrophobicContact CD1-CB 4.31Å; L345-W380 HydrophobicContact CD1-CD2 3.54Å; L345-W380 HydrophobicContact CD1-CE3 4.13Å; L345-W380 HydrophobicContact CD1-CG 3.61Å; L345-W380 HydrophobicContact CD1-CZ2 4.28Å; L345-W380 HydrophobicContact CD2-CD2 3.85Å; L345-W380 HydrophobicContact CD2-CE3 3.64Å; L345-W380 HydrophobicContact CD2-CH2 3.58Å; L345-W380 HydrophobicContact CD2-CZ2 3.75Å; L345-W380 HydrophobicContact CD2-CZ3 3.52Å; L345-W380 HydrophobicContact CG-CD2 4.25Å; L345-W380 HydrophobicContact CG-CE3 4.36Å; L345-L395 WeakPolarHBondContact O-CA 3.38Å; L345-V396 HydrophobicContact CB-CB 4.37Å; L345-V396 PolarHBondContact N-O 3.32Å; L345-V396 PolarHBondContact O-N 3.5Å
346V95.9Very high89.2Confident0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-102.2128.4170.91760000110.2L299 L348 L358 F361 F377 N378 L379 W380 S394 L395L299-V346 HydrophobicContact CD2-CG1 4.22Å; L299-V346 HydrophobicContact CD2-CG2 4.43Å; V346-L348 HydrophobicContact CG1-CD2 3.75Å; V346-L348 HydrophobicContact CG1-CG 4.14Å; V346-L358 HydrophobicContact CB-CD2 3.9Å; V346-L358 HydrophobicContact CG1-CD2 3.53Å; V346-L358 HydrophobicContact CG2-CD2 4.26Å; V346-F361 HydrophobicContact CG2-CD1 4.21Å; V346-F361 HydrophobicContact CG2-CE1 3.98Å; V346-F361 HydrophobicContact CG2-CE2 4.46Å; V346-F361 HydrophobicContact CG2-CZ 4.1Å; V346-F377 HydrophobicContact CB-CE2 4.1Å; V346-F377 HydrophobicContact CB-CZ 4.4Å; V346-F377 HydrophobicContact CG2-CE2 3.77Å; V346-F377 HydrophobicContact CG2-CZ 4.4Å; V346-N378 PolarHBondContact N-O 3.16Å; V346-L379 HydrophobicContact CB-CD1 4.37Å; V346-L379 HydrophobicContact CG1-CD1 4.33Å; V346-L379 WeakPolarHBondContact O-CA 3.44Å; V346-L379 WeakPolarHBondContact O-CD1 3.27Å; V346-W380 PolarHBondContact O-N 2.82Å; V346-S394 CarbonylContact C-O 3.52Å; V346-S394 WeakPolarHBondContact CA-O 3.45Å; V346-L395 HydrophobicContact CG2-CD1 3.73Å
347I94.9Very high90.8Very high0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-111118.2178.9-64.5174000108.3V238 I242 L345 R349 W380 A393 S394V238-I347 HydrophobicContact CB-CD1 4.28Å; V238-I347 HydrophobicContact CG1-CD1 4.31Å; V238-I347 HydrophobicContact CG2-CD1 4.17Å; I242-I347 HydrophobicContact CD1-CB 4.31Å; I242-I347 HydrophobicContact CD1-CG1 4.47Å; I242-I347 HydrophobicContact CD1-CG2 3.35Å; L345-I347 HydrophobicContact CD1-CG1 4.43Å; L345-I347 HydrophobicContact CD2-CD1 4.22Å; L345-I347 HydrophobicContact CD2-CG1 4.31Å; L345-I347 HydrophobicContact CG-CD1 4.47Å; L345-I347 HydrophobicContact CG-CG1 4.08Å; I347-R349 HydrophobicContact CG2-CG 4.07Å; I347-W380 CarbonylContact C-O 3.54Å; I347-W380 WeakPolarHBondContact CA-O 3.41Å; I347-W380 HydrophobicContact CD1-CE3 3.93Å; I347-W380 HydrophobicContact CD1-CZ3 4.36Å; I347-W380 HydrophobicContact CG1-CB 4.25Å; I347-W380 HydrophobicContact CG1-CE3 4.01Å; I347-A393 CarbonylContact O-C 3.48Å; I347-A393 WeakPolarHBondContact O-CA 3.25Å; I347-S394 PolarHBondContact N-O 2.84Å; I347-S394 PolarHBondContact O-N 3.01Å
348L94.3Very high91.6Very high0 Ų030.1 Ų30.10%016%0.159CC..EExtended strand (participates in β ladder)trans-109.7130.1177.6-55.8178.4000111.2W292 I296 V346 M353 A356 L358 L379 W380 K381 T382 A393W292-L348 HydrophobicContact CE3-CD2 4.15Å; W292-L348 HydrophobicContact CH2-CB 4.06Å; W292-L348 HydrophobicContact CH2-CD2 4.42Å; W292-L348 HydrophobicContact CZ3-CB 4.15Å; W292-L348 HydrophobicContact CZ3-CD2 3.67Å; W292-L348 HydrophobicContact CZ3-CG 4.34Å; I296-L348 HydrophobicContact CD1-CD2 3.71Å; V346-L348 HydrophobicContact CG1-CD2 3.75Å; V346-L348 HydrophobicContact CG1-CG 4.14Å; L348-M353 HydrophobicContact CB-CB 4.28Å; L348-A356 HydrophobicContact CD1-CB 3.57Å; L348-L358 HydrophobicContact CD1-CD1 3.74Å; L348-L358 HydrophobicContact CD1-CD2 4.44Å; L348-L379 HydrophobicContact CD1-CD1 3.9Å; L348-L379 HydrophobicContact CG-CD1 4.01Å; L348-W380 PolarHBondContact N-O 2.93Å; L348-K381 HydrophobicContact CB-CG 4.26Å; L348-K381 HydrophobicContact CD1-CD 4.29Å; L348-K381 HydrophobicContact CD1-CG 4.43Å; L348-K381 CarbonylContact O-C 3.58Å; L348-K381 VanDerWaalsContact O-CA 3.28Å; L348-K381 WeakPolarHBondContact O-CA 3.41Å; L348-T382 PolarHBondContact O-N 2.85Å; L348-A393 HydrophobicContact CD2-CB 3.66Å
349R91.8Very high91.7Very high1 Ų130.1 Ų30.10%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-128.1133.1-179-58.5-161.357.9162.5-13.5111.1D26 Y42 W292 I347 T382 R384 F386 K391 S392D26-R349 IonicContact OD1-NH2 3.71Å; D26-R349 IonicContact OD2-CZ 2.94Å; D26-R349 IonicContact OD2-NH1 2.79Å; D26-R349 IonicContact OD2-NH2 3.73Å; D26-R349 PolarHBondContact OD2-NH2 3.11Å; Y42-R349 PolarHBondContact OH-NH2 3.1Å; W292-R349 WeakPolarHBondContact CH2-O 3.37Å; I347-R349 HydrophobicContact CG2-CG 4.07Å; R349-T382 CarbonylContact C-O 3.53Å; R349-T382 WeakPolarHBondContact CA-O 3.33Å; R349-T382 HydrophobicContact CB-CG2 4.08Å; R349-T382 HydrophobicContact CG-CG2 3.55Å; R349-R384 WeakPolarHBondContact CB-O 3.3Å; R349-R384 PolarHBondContact NE-O 3.11Å; R349-F386 HydrophobicContact CB-CB 4.49Å; R349-K391 CarbonylContact O-C 3.43Å; R349-K391 WeakPolarHBondContact O-CA 3.5Å; R349-S392 PolarHBondContact N-O 3.33Å; R349-S392 PolarHBondContact O-N 3.47Å
350G90.1Very high91.7Very high0 Ų032.1 Ų32.10%018%0.184CC..EExtended strand (participates in β ladder)trans109.6-159.8172.200000115.1T382 P383 R384 E390G350-T382 PolarHBondContact N-O 2.64Å; G350-P383 CarbonylContact C-O 3.55Å; G350-P383 WeakPolarHBondContact CA-O 3.46Å; G350-R384 PolarHBondContact N-O 2.95Å; G350-E390 CarbonylContact C-O 3.58Å; G350-E390 VanDerWaalsContact CA-O 3.25Å; G350-E390 WeakPolarHBondContact CA-O 3.44Å
351K88.6Confident91.8Very high99 Ų9931.7 Ų31.743%0.4318%0.181SC..THydrogen-bonded Turntrans-66.6139.4-164.3-168.5-176.6171.4-178.60112.7L33 W292 M353 E390 K391L33-K351 HydrophobicContact CD1-CB 4.04Å; L33-K351 HydrophobicContact CD2-CB 3.78Å; L33-K351 HydrophobicContact CD2-CD 4.06Å; L33-K351 HydrophobicContact CD2-CG 3.78Å; W292-K351 WeakPolarHBondContact CZ2-O 3.24Å; W292-K351 PolarHBondContact NE1-O 3.16Å; K351-M353 PolarHBondContact O-N 3.05Å; K351-M353 VanDerWaalsContact O-N 3.15Å; K351-E390 PolarHBondContact N-O 2.89Å; K351-K391 WeakPolarHBondContact O-CE 3.31Å
352D87.9Confident91.7Very high90 Ų9038.6 Ų38.648%0.48121%0.207SC..THydrogen-bonded Turntrans56.826.3174.9-51.8-39.6000114.1W292 H354 S355W292-D352 VanDerWaalsContact NE1-C 3.34Å; W292-D352 PolarHBondContact NE1-O 3.27Å; W292-D352 VanDerWaalsContact NE1-O 3.16Å; D352-H354 PolarHBondContact O-N 2.93Å; D352-S355 WeakPolarHBondContact O-CB 3.41Å; D352-S355 PolarHBondContact O-N 3.36Å; D352-S355 PolarHBondContact O-OG 3.27Å
353M87.7Confident91.5Very high4 Ų441.1 Ų41.12%0.0222%0.22CC..G310 helixtrans-58.2-21.8-176.660.373.9162.800114.3W292 L348 K351 S355 A356 K381W292-M353 HydrophobicContact CH2-CB 4.41Å; W292-M353 HydrophobicContact CZ2-CB 3.8Å; L348-M353 HydrophobicContact CB-CB 4.28Å; K351-M353 PolarHBondContact O-N 3.05Å; K351-M353 VanDerWaalsContact O-N 3.15Å; M353-S355 VanDerWaalsContact C-N 3.28Å; M353-S355 PolarHBondContact O-N 3.33Å; M353-A356 WeakPolarHBondContact O-CB 3.42Å; M353-A356 PolarHBondContact O-N 3.17Å; M353-K381 HydrophobicContact CB-CD 4.5Å; M353-K381 HydrophobicContact CE-CB 3.54Å; M353-K381 HydrophobicContact CE-CD 4.49Å; M353-K381 HydrophobicContact CG-CB 4.17Å; M353-K381 HydrophobicContact CG-CD 4.5Å; M353-K381 PolarHBondContact O-NZ 2.91Å; M353-K381 HydrophobicContact SD-CB 3.29Å; M353-K381 WeakPolarHBondContact SD-CB 3.45Å; M353-K381 HydrophobicContact SD-CD 3.33Å; M353-K381 WeakPolarHBondContact SD-CD 3.4Å; M353-K381 HydrophobicContact SD-CG 3.93Å
354H86.1Confident91.2Very high152 Ų15245.1 Ų45.170%0.70425%0.246SC*.G310 helixtrans-67.5-26.9173.4-60.4-70.9000113D352 A356D352-H354 PolarHBondContact O-N 2.93Å; H354-A356 VanDerWaalsContact C-N 3.3Å; H354-A356 PolarHBondContact O-N 3.48Å
355S89.3Confident90.9Very high85 Ų8546.1 Ų46.159%0.59425%0.254SS*.G310 helixtrans-79.1-10.6179.170.40000114D352 M353 D357D352-S355 WeakPolarHBondContact O-CB 3.41Å; D352-S355 PolarHBondContact O-N 3.36Å; D352-S355 PolarHBondContact O-OG 3.27Å; M353-S355 VanDerWaalsContact C-N 3.28Å; M353-S355 PolarHBondContact O-N 3.33Å; S355-D357 PolarHBondContact O-N 3.38Å
356A91.1Very high90.6Very high9 Ų946.1 Ų46.17%0.07425%0.254CS..  trans-69.2119.7179.200000110.9W292 L348 M353 H354 L358W292-A356 HydrophobicContact CB-CB 3.78Å; W292-A356 HydrophobicContact CD2-CB 3.95Å; W292-A356 HydrophobicContact CE3-CB 4.27Å; W292-A356 HydrophobicContact CG-CB 3.74Å; L348-A356 HydrophobicContact CD1-CB 3.57Å; M353-A356 WeakPolarHBondContact O-CB 3.42Å; M353-A356 PolarHBondContact O-N 3.17Å; H354-A356 VanDerWaalsContact C-N 3.3Å; H354-A356 PolarHBondContact O-N 3.48Å; A356-L358 HydrophobicContact CB-CD1 4.01Å; A356-L358 WeakPolarHBondContact O-CD1 3.49Å
357D92.3Very high90.4Very high128 Ų12846.9 Ų46.968%0.68426%0.257SS*.  trans-87.9120.2172.3176.720.4000110.6I296 S355 G359I296-D357 WeakPolarHBondContact CG2-O 3.45Å; S355-D357 PolarHBondContact O-N 3.38Å; D357-G359 PolarHBondContact OD1-N 3.35Å
358L91.6Very high90.1Very high9 Ų947.4 Ų47.45%0.04726%0.26CS..  trans-115.820.6176.9-62.295.6000112.3I296 V346 L348 A356 S360 F361 F377 L379I296-L358 HydrophobicContact CD1-CD2 3.72Å; I296-L358 HydrophobicContact CD1-CG 3.99Å; I296-L358 HydrophobicContact CG1-CG 4.31Å; I296-L358 HydrophobicContact CG2-CG 4.33Å; V346-L358 HydrophobicContact CB-CD2 3.9Å; V346-L358 HydrophobicContact CG1-CD2 3.53Å; V346-L358 HydrophobicContact CG2-CD2 4.26Å; L348-L358 HydrophobicContact CD1-CD1 3.74Å; L348-L358 HydrophobicContact CD1-CD2 4.44Å; A356-L358 HydrophobicContact CB-CD1 4.01Å; A356-L358 WeakPolarHBondContact O-CD1 3.49Å; L358-S360 PolarHBondContact O-N 2.93Å; L358-S360 VanDerWaalsContact O-N 3.1Å; L358-F361 HydrophobicContact CB-CD2 4.35Å; L358-F361 HydrophobicContact CD2-CD2 4.21Å; L358-F361 WeakPolarHBondContact O-CB 3.47Å; L358-F361 PolarHBondContact O-N 3.33Å; L358-F377 HydrophobicContact CB-CE1 4.16Å; L358-F377 HydrophobicContact CB-CZ 3.91Å; L358-F377 HydrophobicContact CD2-CZ 3.93Å; L358-L379 HydrophobicContact CD1-CD1 4.07Å; L358-L379 HydrophobicContact CD1-CD2 3.78Å; L358-L379 HydrophobicContact CD2-CD1 3.98Å
359G88.6Confident89.6Confident40 Ų4053.5 Ų53.541%0.41230%0.303SS..G310 helixtrans-54.2-31174.700000112.6D357 F361 R362D357-G359 PolarHBondContact OD1-N 3.35Å; G359-F361 PolarHBondContact O-N 2.89Å; G359-R362 PolarHBondContact O-N 3.5Å
360S89.8Confident89.3Confident47 Ų4759.3 Ų59.333%0.32933%0.325SS..G310 helixtrans-64.2-22.117668.30000114.8R300 L358 L366R300-S360 VanDerWaalsContact CD-CB 3.48Å; R300-S360 WeakPolarHBondContact CD-O 3.47Å; R300-S360 WeakPolarHBondContact CD-OG 3.07Å; R300-S360 PolarHBondContact NE-O 3.24Å; L358-S360 PolarHBondContact O-N 2.93Å; L358-S360 VanDerWaalsContact O-N 3.1Å; S360-L366 WeakPolarHBondContact O-CD1 3.39Å
361F92.2Very high89.1Confident0 Ų060.8 Ų60.80%033%0.333CS..G310 helixtrans-86.8-8.3174-81.1-90.5000113.1I296 L299 R300 L303 V346 L358 G359 D363 Y367 F377 L395I296-F361 HydrophobicContact CG2-CD2 4.1Å; I296-F361 HydrophobicContact CG2-CE2 3.76Å; L299-F361 HydrophobicContact CB-CZ 4.26Å; L299-F361 HydrophobicContact CD2-CZ 4.49Å; L299-F361 HydrophobicContact CG-CZ 4.24Å; R300-F361 HydrophobicContact CB-CD2 4.43Å; R300-F361 HydrophobicContact CB-CE1 4.3Å; R300-F361 HydrophobicContact CB-CE2 3.74Å; R300-F361 HydrophobicContact CB-CZ 3.68Å; R300-F361 HydrophobicContact CG-CE2 4.46Å; R300-F361 HydrophobicContact CG-CZ 4.41Å; L303-F361 HydrophobicContact CD2-CD1 4.23Å; L303-F361 HydrophobicContact CD2-CE1 3.94Å; V346-F361 HydrophobicContact CG2-CD1 4.21Å; V346-F361 HydrophobicContact CG2-CE1 3.98Å; V346-F361 HydrophobicContact CG2-CE2 4.46Å; V346-F361 HydrophobicContact CG2-CZ 4.1Å; L358-F361 HydrophobicContact CB-CD2 4.35Å; L358-F361 HydrophobicContact CD2-CD2 4.21Å; L358-F361 WeakPolarHBondContact O-CB 3.47Å; L358-F361 PolarHBondContact O-N 3.33Å; G359-F361 PolarHBondContact O-N 2.89Å; F361-D363 VanDerWaalsContact C-N 3.32Å; F361-Y367 WeakPolarHBondContact O-CE2 3.37Å; F361-Y367 PolarHBondContact O-OH 3.38Å; F361-F377 HydrophobicContact CB-CD1 4.32Å; F361-F377 HydrophobicContact CB-CD2 3.74Å; F361-F377 HydrophobicContact CB-CE1 4.08Å; F361-F377 HydrophobicContact CB-CE2 3.48Å; F361-F377 VanDerWaalsContact CB-CE2 3.48Å; F361-F377 HydrophobicContact CB-CG 4.16Å; F361-F377 HydrophobicContact CB-CZ 3.66Å; F361-F377 HydrophobicContact CD1-CD2 4.44Å; F361-F377 HydrophobicContact CD1-CE2 4.1Å; F361-F377 HydrophobicContact CG-CD2 4.42Å; F361-F377 AromaticContact CG-CE2 3.88Å; F361-F377 HydrophobicContact CG-CE2 3.88Å; F361-F377 HydrophobicContact CG-CZ 4.25Å; F361-L395 HydrophobicContact CE1-CD1 4.35Å; F361-L395 HydrophobicContact CE1-CD2 4.35Å
362R91.3Very high89Confident146 Ų14659.3 Ų59.355%0.55133%0.332SS*.G310 helixtrans-92.97175.7-62.5-176.9174.9-155.7-5.3113G359 P364 P373 F377G359-R362 PolarHBondContact O-N 3.5Å; R362-P364 WeakPolarHBondContact O-CD 3.29Å; R362-P373 WeakPolarHBondContact O-CB 3.44Å; R362-F377 HydrophobicContact CG-CD1 3.74Å; R362-F377 HydrophobicContact CG-CE1 4.26Å
363D90.4Very high88.7Confident52 Ų5256.6 Ų56.628%0.27832%0.32SS..  trans-64117.1175.6177.32000109.6R300 F361 A365 L366R300-D363 IonicContact NH2-OD2 3.27Å; R300-D363 PolarHBondContact NH2-OD2 3.08Å; F361-D363 VanDerWaalsContact C-N 3.32Å; D363-A365 PolarHBondContact O-N 3.4Å; D363-A365 VanDerWaalsContact O-N 3.14Å; D363-A365 WeakPolarHBondContact OD1-CB 3.44Å; D363-A365 PolarHBondContact OD1-N 3.35Å; D363-L366 HydrophobicContact CB-CD1 4.09Å; D363-L366 HydrophobicContact CB-CG 4Å; D363-L366 VanDerWaalsContact O-CB 3.31Å; D363-L366 WeakPolarHBondContact O-CB 3.37Å; D363-L366 WeakPolarHBondContact O-CG 3.42Å; D363-L366 PolarHBondContact O-N 3.2Å
364P89.3Confident88.5Confident85 Ų8563.9 Ų63.955%0.55235%0.354SS*.G310 helixtrans-58.9-26.6-178.6-1624000113.6R362 L366 Y367 P373R362-P364 WeakPolarHBondContact O-CD 3.29Å; P364-L366 PolarHBondContact O-N 3.39Å; P364-L366 VanDerWaalsContact O-N 3.15Å; P364-Y367 PolarHBondContact O-N 3.48Å; P364-Y367 VanDerWaalsContact O-N 3.1Å; P364-P373 HydrophobicContact CB-CG 3.66Å; P364-P373 HydrophobicContact CG-CG 3.75Å
365A89.4Confident88.5Confident21 Ų2161.3 Ų61.317%0.17435%0.345CS..G310 helixtrans-68.7-9.6178.500000113.3P319 P320 F338 D363 Y367P319-A365 HydrophobicContact CB-CB 3.65Å; P320-A365 WeakPolarHBondContact O-CB 3.33Å; F338-A365 VanDerWaalsContact CZ-O 3.25Å; F338-A365 WeakPolarHBondContact CZ-O 3.39Å; D363-A365 PolarHBondContact O-N 3.4Å; D363-A365 VanDerWaalsContact O-N 3.14Å; D363-A365 WeakPolarHBondContact OD1-CB 3.44Å; D363-A365 PolarHBondContact OD1-N 3.35Å; A365-Y367 VanDerWaalsContact C-N 3.33Å
366L90.3Very high88.7Confident1 Ų157.2 Ų57.21%0.00532%0.316CS..G310 helixtrans-76.9-23.3172.5-61.9-179.3000113.4I304 P319 F338 S341 S360 D363 P364I304-L366 HydrophobicContact CG2-CD2 3.33Å; P319-L366 HydrophobicContact CB-CD2 4.45Å; P319-L366 HydrophobicContact CG-CD2 3.86Å; F338-L366 HydrophobicContact CE2-CD2 4.18Å; F338-L366 HydrophobicContact CZ-CD2 4.22Å; S341-L366 PolarHBondContact N-O 3.19Å; S341-L366 VanDerWaalsContact N-O 3.09Å; S360-L366 WeakPolarHBondContact O-CD1 3.39Å; D363-L366 HydrophobicContact CB-CD1 4.09Å; D363-L366 HydrophobicContact CB-CG 4Å; D363-L366 VanDerWaalsContact O-CB 3.31Å; D363-L366 WeakPolarHBondContact O-CB 3.37Å; D363-L366 WeakPolarHBondContact O-CG 3.42Å; D363-L366 PolarHBondContact O-N 3.2Å; P364-L366 PolarHBondContact O-N 3.39Å; P364-L366 VanDerWaalsContact O-N 3.15Å
367Y91.8Very high88.8Confident16 Ų1657.2 Ų57.26%0.06332%0.315CS..BIsolated β-bridgetrans-118160.6-166.6-55.4-77.1000112.3S341 N344 F361 P364 A365 P373 A376 F377S341-Y367 CarbonylContact O-C 3.6Å; S341-Y367 WeakPolarHBondContact O-CA 3.33Å; N344-Y367 HydrophobicContact CB-CE1 4.03Å; N344-Y367 WeakPolarHBondContact ND2-CE1 3.29Å; N344-Y367 PolarHBondContact ND2-OH 3.38Å; F361-Y367 WeakPolarHBondContact O-CE2 3.37Å; F361-Y367 PolarHBondContact O-OH 3.38Å; P364-Y367 PolarHBondContact O-N 3.48Å; P364-Y367 VanDerWaalsContact O-N 3.1Å; A365-Y367 VanDerWaalsContact C-N 3.33Å; Y367-P373 HydrophobicContact CD2-CB 4.36Å; Y367-A376 HydrophobicContact CD1-CB 3.42Å; Y367-A376 VanDerWaalsContact CD1-CB 3.42Å; Y367-A376 HydrophobicContact CD2-CB 4.18Å; Y367-A376 HydrophobicContact CE1-CB 3.78Å; Y367-A376 WeakPolarHBondContact CE1-O 3.38Å; Y367-A376 HydrophobicContact CG-CB 3.64Å; Y367-F377 HydrophobicContact CE2-CB 4.42Å; Y367-F377 WeakPolarHBondContact OH-CB 3.21Å
368T88.3Confident88.8Confident10 Ų1053.3 Ų53.36%0.06129%0.294CS..  trans-63.4147.5169.554.30000112.3S341 I342 W370 L371 L453S341-T368 PolarHBondContact O-N 3.16Å; S341-T368 VanDerWaalsContact O-N 3.15Å; I342-T368 HydrophobicContact CG1-CG2 4.19Å; T368-W370 VanDerWaalsContact CB-NE1 3.29Å; T368-W370 PolarHBondContact O-N 3.38Å; T368-W370 VanDerWaalsContact O-N 3.16Å; T368-W370 PolarHBondContact OG1-NE1 2.94Å; T368-W370 VanDerWaalsContact OG1-NE1 3.15Å; T368-L371 PolarHBondContact O-N 3.09Å; T368-L453 HydrophobicContact CG2-CB 3.9Å; T368-L453 HydrophobicContact CG2-CD2 3.53Å; T368-L453 HydrophobicContact CG2-CG 4.25Å
369S83.3Confident88.9Confident128 Ų12854.7 Ų54.790%0.89530%0.301SS*.THydrogen-bonded Turntrans-65.7-18.4-174.255.90000115.6
370W86.6Confident89Confident123 Ų12353.4 Ų53.447%0.46628%0.284SS..THydrogen-bonded Turntrans-88.5-9.5-175.858.7-88.8000114.1P265 H266 F269 I342 T368P265-W370 HydrophobicContact CB-CH2 4.46Å; P265-W370 HydrophobicContact CG-CH2 4.08Å; H266-W370 HydrophobicContact CB-CH2 3.96Å; H266-W370 HydrophobicContact CB-CZ3 4.46Å; F269-W370 HydrophobicContact CD2-CZ2 4.4Å; F269-W370 HydrophobicContact CE2-CZ2 4.19Å; I342-W370 HydrophobicContact CG1-CZ2 4.45Å; I342-W370 HydrophobicContact CG2-CH2 4.01Å; I342-W370 HydrophobicContact CG2-CZ2 3.88Å; T368-W370 VanDerWaalsContact CB-NE1 3.29Å; T368-W370 PolarHBondContact O-N 3.38Å; T368-W370 VanDerWaalsContact O-N 3.16Å; T368-W370 PolarHBondContact OG1-NE1 2.94Å; T368-W370 VanDerWaalsContact OG1-NE1 3.15Å
371L85.8Confident89Confident31 Ų3152.8 Ų52.816%0.16228%0.275CS..SBendtrans-110.5141171.4-82.4156.4000110.1P265 I342 T368 D375 A376P265-L371 HydrophobicContact CB-CD1 3.97Å; P265-L371 HydrophobicContact CB-CD2 4.18Å; P265-L371 HydrophobicContact CG-CD1 3.6Å; I342-L371 HydrophobicContact CG2-CD1 3.69Å; T368-L371 PolarHBondContact O-N 3.09Å; L371-D375 HydrophobicContact CD2-CB 4.27Å; L371-A376 HydrophobicContact CB-CB 4.22Å
372T85.8Confident88.8Confident68 Ų6852.8 Ų52.842%0.41728%0.275SS..  trans-72.3148.2170.584.40000109.3Q374 D375 A376T372-Q374 PolarHBondContact O-N 2.99Å; T372-Q374 VanDerWaalsContact O-N 3.1Å; T372-Q374 PolarHBondContact OG1-N 3.1Å; T372-D375 PolarHBondContact O-N 2.93Å; T372-D375 VanDerWaalsContact O-N 3.09Å; T372-D375 VanDerWaalsContact OG1-CG 3.23Å; T372-D375 PolarHBondContact OG1-N 3.15Å; T372-D375 PolarHBondContact OG1-OD2 3.44Å; T372-A376 WeakPolarHBondContact O-CB 3.42Å; T372-A376 PolarHBondContact O-N 2.91Å
373P82.1Confident88.5Confident34 Ų3446.8 Ų46.822%0.22126%0.255CS..Hα-helixtrans-62.5-19177.6-21.931.8000114R362 P364 Y367 F377R362-P373 WeakPolarHBondContact O-CB 3.44Å; P364-P373 HydrophobicContact CB-CG 3.66Å; P364-P373 HydrophobicContact CG-CG 3.75Å; Y367-P373 HydrophobicContact CD2-CB 4.36Å; P373-F377 WeakPolarHBondContact O-CB 3.41Å; P373-F377 PolarHBondContact O-N 2.78Å
374Q83.5Confident88.3Confident157 Ų15744.5 Ų44.573%0.73424%0.242SC*.Hα-helixtrans-74.4-37.7176.5-63.4-174.212.300111.1T372T372-Q374 PolarHBondContact O-N 2.99Å; T372-Q374 VanDerWaalsContact O-N 3.1Å; T372-Q374 PolarHBondContact OG1-N 3.1Å
375D86.7Confident88.2Confident97 Ų9740.5 Ų40.552%0.51922%0.217SC..Hα-helixtrans-80.9-34.9178.4-51.5-43.7000111.1L371 T372 F377 N378L371-D375 HydrophobicContact CD2-CB 4.27Å; T372-D375 PolarHBondContact O-N 2.93Å; T372-D375 VanDerWaalsContact O-N 3.09Å; T372-D375 VanDerWaalsContact OG1-CG 3.23Å; T372-D375 PolarHBondContact OG1-N 3.15Å; T372-D375 PolarHBondContact OG1-OD2 3.44Å; D375-F377 VanDerWaalsContact C-N 3.32Å; D375-F377 PolarHBondContact O-N 2.79Å; D375-N378 PolarHBondContact O-ND2 3.25Å
376A91.6Very high88.2Confident0 Ų039.7 Ų39.70%021%0.209CC..Hα-helixtrans-74.8-17.8-178.200000114I342 A343 N344 Y367 L371 T372I342-A376 WeakPolarHBondContact O-CB 3.4Å; A343-A376 CarbonylContact C-O 3.59Å; A343-A376 VanDerWaalsContact CA-O 3.27Å; A343-A376 WeakPolarHBondContact CA-O 3.39Å; N344-A376 PolarHBondContact N-O 3.45Å; Y367-A376 HydrophobicContact CD1-CB 3.42Å; Y367-A376 VanDerWaalsContact CD1-CB 3.42Å; Y367-A376 HydrophobicContact CD2-CB 4.18Å; Y367-A376 HydrophobicContact CE1-CB 3.78Å; Y367-A376 WeakPolarHBondContact CE1-O 3.38Å; Y367-A376 HydrophobicContact CG-CB 3.64Å; L371-A376 HydrophobicContact CB-CB 4.22Å; T372-A376 WeakPolarHBondContact O-CB 3.42Å; T372-A376 PolarHBondContact O-N 2.91Å
377F94.3Very high88Confident8 Ų841.6 Ų41.64%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-124.2120.9-177.4177.4-111.4000112.7N344 V346 L358 F361 R362 Y367 P373 D375 L379N344-F377 HydrophobicContact CB-CD2 4.26Å; N344-F377 WeakPolarHBondContact O-CA 3.43Å; V346-F377 HydrophobicContact CB-CE2 4.1Å; V346-F377 HydrophobicContact CB-CZ 4.4Å; V346-F377 HydrophobicContact CG2-CE2 3.77Å; V346-F377 HydrophobicContact CG2-CZ 4.4Å; L358-F377 HydrophobicContact CB-CE1 4.16Å; L358-F377 HydrophobicContact CB-CZ 3.91Å; L358-F377 HydrophobicContact CD2-CZ 3.93Å; F361-F377 HydrophobicContact CB-CD1 4.32Å; F361-F377 HydrophobicContact CB-CD2 3.74Å; F361-F377 HydrophobicContact CB-CE1 4.08Å; F361-F377 HydrophobicContact CB-CE2 3.48Å; F361-F377 VanDerWaalsContact CB-CE2 3.48Å; F361-F377 HydrophobicContact CB-CG 4.16Å; F361-F377 HydrophobicContact CB-CZ 3.66Å; F361-F377 HydrophobicContact CD1-CD2 4.44Å; F361-F377 HydrophobicContact CD1-CE2 4.1Å; F361-F377 HydrophobicContact CG-CD2 4.42Å; F361-F377 AromaticContact CG-CE2 3.88Å; F361-F377 HydrophobicContact CG-CE2 3.88Å; F361-F377 HydrophobicContact CG-CZ 4.25Å; R362-F377 HydrophobicContact CG-CD1 3.74Å; R362-F377 HydrophobicContact CG-CE1 4.26Å; Y367-F377 HydrophobicContact CE2-CB 4.42Å; Y367-F377 WeakPolarHBondContact OH-CB 3.21Å; P373-F377 WeakPolarHBondContact O-CB 3.41Å; P373-F377 PolarHBondContact O-N 2.78Å; D375-F377 VanDerWaalsContact C-N 3.32Å; D375-F377 PolarHBondContact O-N 2.79Å; F377-L379 HydrophobicContact CE1-CB 4.4Å; F377-L379 HydrophobicContact CZ-CB 4.33Å
378N93Very high87.7Confident46 Ų4645.8 Ų45.825%0.24624%0.238CC..EExtended strand (participates in β ladder)trans-123.4153.5177.6-79.2-80.5000112.2T262 N344 L345 V346 D375T262-N378 HydrophobicContact CG2-CB 3.34Å; N344-N378 PolarHBondContact O-N 3.09Å; L345-N378 WeakPolarHBondContact CA-O 3.45Å; L345-N378 HydrophobicContact CD1-CB 4.04Å; V346-N378 PolarHBondContact N-O 3.16Å; D375-N378 PolarHBondContact O-ND2 3.25Å
379L92.3Very high87.7Confident38 Ų3845.9 Ų45.920%0.19924%0.238CC..EExtended strand (participates in β ladder)trans-135.5118.6-173.5176.255.9000110.3V346 L348 L358 F377 K381V346-L379 HydrophobicContact CB-CD1 4.37Å; V346-L379 HydrophobicContact CG1-CD1 4.33Å; V346-L379 WeakPolarHBondContact O-CA 3.44Å; V346-L379 WeakPolarHBondContact O-CD1 3.27Å; L348-L379 HydrophobicContact CD1-CD1 3.9Å; L348-L379 HydrophobicContact CG-CD1 4.01Å; L358-L379 HydrophobicContact CD1-CD1 4.07Å; L358-L379 HydrophobicContact CD1-CD2 3.78Å; L358-L379 HydrophobicContact CD2-CD1 3.98Å; F377-L379 HydrophobicContact CE1-CB 4.4Å; F377-L379 HydrophobicContact CZ-CB 4.33Å; L379-K381 HydrophobicContact CD1-CG 3.99Å; L379-K381 HydrophobicContact CG-CD 4.39Å; L379-K381 HydrophobicContact CG-CG 4.02Å
380W91.5Very high88Confident13 Ų1343.7 Ų43.75%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-112.1143172.6-60.7-10.5000109.8I242 D258 L259 L345 V346 I347 L348I242-W380 HydrophobicContact CB-CB 4.44Å; I242-W380 HydrophobicContact CD1-CB 3.56Å; I242-W380 HydrophobicContact CG1-CB 3.83Å; I242-W380 HydrophobicContact CG2-CB 3.8Å; I242-W380 HydrophobicContact CG2-CD2 3.86Å; I242-W380 HydrophobicContact CG2-CE3 3.63Å; I242-W380 HydrophobicContact CG2-CG 3.97Å; I242-W380 HydrophobicContact CG2-CZ3 4.44Å; D258-W380 HydrophobicContact CB-CH2 4.19Å; D258-W380 HydrophobicContact CB-CZ2 3.87Å; L259-W380 HydrophobicContact CB-CH2 4.1Å; L259-W380 HydrophobicContact CD1-CH2 3.99Å; L259-W380 HydrophobicContact CD1-CZ3 4.24Å; L345-W380 HydrophobicContact CD1-CB 4.31Å; L345-W380 HydrophobicContact CD1-CD2 3.54Å; L345-W380 HydrophobicContact CD1-CE3 4.13Å; L345-W380 HydrophobicContact CD1-CG 3.61Å; L345-W380 HydrophobicContact CD1-CZ2 4.28Å; L345-W380 HydrophobicContact CD2-CD2 3.85Å; L345-W380 HydrophobicContact CD2-CE3 3.64Å; L345-W380 HydrophobicContact CD2-CH2 3.58Å; L345-W380 HydrophobicContact CD2-CZ2 3.75Å; L345-W380 HydrophobicContact CD2-CZ3 3.52Å; L345-W380 HydrophobicContact CG-CD2 4.25Å; L345-W380 HydrophobicContact CG-CE3 4.36Å; V346-W380 PolarHBondContact O-N 2.82Å; I347-W380 CarbonylContact C-O 3.54Å; I347-W380 WeakPolarHBondContact CA-O 3.41Å; I347-W380 HydrophobicContact CD1-CE3 3.93Å; I347-W380 HydrophobicContact CD1-CZ3 4.36Å; I347-W380 HydrophobicContact CG1-CB 4.25Å; I347-W380 HydrophobicContact CG1-CE3 4.01Å; L348-W380 PolarHBondContact N-O 2.93Å
381K89.4Confident88.3Confident34 Ų3439.1 Ų39.115%0.14820%0.197CC..EExtended strand (participates in β ladder)trans-139.8149.9-178.5-46-171.9-179.4-169.70113.3I242 Y243 L348 M353 L379I242-K381 VanDerWaalsContact CG1-C 3.43Å; I242-K381 VanDerWaalsContact CG1-O 3.25Å; I242-K381 WeakPolarHBondContact CG1-O 3.34Å; Y243-K381 WeakPolarHBondContact CB-O 3.44Å; Y243-K381 PolarHBondContact N-O 2.99Å; Y243-K381 PolarHBondContact O-N 2.88Å; Y243-K381 VanDerWaalsContact O-N 3.1Å; L348-K381 HydrophobicContact CB-CG 4.26Å; L348-K381 HydrophobicContact CD1-CD 4.29Å; L348-K381 HydrophobicContact CD1-CG 4.43Å; L348-K381 CarbonylContact O-C 3.58Å; L348-K381 VanDerWaalsContact O-CA 3.28Å; L348-K381 WeakPolarHBondContact O-CA 3.41Å; M353-K381 HydrophobicContact CB-CD 4.5Å; M353-K381 HydrophobicContact CE-CB 3.54Å; M353-K381 HydrophobicContact CE-CD 4.49Å; M353-K381 HydrophobicContact CG-CB 4.17Å; M353-K381 HydrophobicContact CG-CD 4.5Å; M353-K381 PolarHBondContact O-NZ 2.91Å; M353-K381 HydrophobicContact SD-CB 3.29Å; M353-K381 WeakPolarHBondContact SD-CB 3.45Å; M353-K381 HydrophobicContact SD-CD 3.33Å; M353-K381 WeakPolarHBondContact SD-CD 3.4Å; M353-K381 HydrophobicContact SD-CG 3.93Å; L379-K381 HydrophobicContact CD1-CG 3.99Å; L379-K381 HydrophobicContact CG-CD 4.39Å; L379-K381 HydrophobicContact CG-CG 4.02Å
382T87.5Confident88.7Confident0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-144.8138.2168.3174.50000110.4I242 L348 R349 G350 R384I242-T382 HydrophobicContact CD1-CG2 4.13Å; I242-T382 HydrophobicContact CG1-CG2 4.08Å; L348-T382 PolarHBondContact O-N 2.85Å; R349-T382 CarbonylContact C-O 3.53Å; R349-T382 WeakPolarHBondContact CA-O 3.33Å; R349-T382 HydrophobicContact CB-CG2 4.08Å; R349-T382 HydrophobicContact CG-CG2 3.55Å; G350-T382 PolarHBondContact N-O 2.64Å; T382-R384 PolarHBondContact O-N 2.85Å; T382-R384 PolarHBondContact OG1-N 2.95Å
383P85.2Confident89.2Confident20 Ų2034.4 Ų34.413%0.1317%0.169CC..SBendtrans-69.3-10.3177.330.2-35.8000112.6L33 C34 Y243 G350L33-P383 WeakPolarHBondContact CB-O 3.23Å; C34-P383 HydrophobicContact CB-CG 4.19Å; Y243-P383 HydrophobicContact CE2-CG 4.46Å; G350-P383 CarbonylContact C-O 3.55Å; G350-P383 WeakPolarHBondContact CA-O 3.46Å
384R86.5Confident89.8Confident4 Ų432.8 Ų32.82%0.01516%0.158CC..SBendtrans-79.8122.1-176.8-158.3170.5-172.4-87.12.9110.7D26 V27 G29 N39 Y42 R349 G350 T382D26-R384 PolarHBondContact O-NH1 3.15Å; D26-R384 PolarHBondContact O-NH2 2.95Å; D26-R384 IonicContact OD1-NH1 3.7Å; D26-R384 PolarHBondContact OD1-NH1 3.24Å; D26-R384 IonicContact OD2-NH1 2.75Å; D26-R384 PolarHBondContact OD2-NH1 3.1Å; V27-R384 PolarHBondContact O-NH2 3.19Å; G29-R384 PolarHBondContact O-NH2 2.92Å; N39-R384 PolarHBondContact OD1-NE 3.25Å; Y42-R384 VanDerWaalsContact CE1-CZ 3.44Å; Y42-R384 VanDerWaalsContact CE1-NH1 3.28Å; R349-R384 WeakPolarHBondContact CB-O 3.3Å; R349-R384 PolarHBondContact NE-O 3.11Å; G350-R384 PolarHBondContact N-O 2.95Å; T382-R384 PolarHBondContact O-N 2.85Å; T382-R384 PolarHBondContact OG1-N 2.95Å
385A88.4Confident90.4Very high2 Ų225.3 Ų25.32%0.01712%0.123CC..  trans-58160.8169.100000111.3H31 L33 Y389H31-A385 HydrophobicContact CB-CB 3.75Å; L33-A385 HydrophobicContact CD1-CB 3.95Å; A385-Y389 WeakPolarHBondContact CB-O 2.98Å
386F88.6Confident90.9Very high4 Ų420.8 Ų20.82%0.01810%0.099CC..BIsolated β-bridgetrans-140.2137.5-179.2-179.6-102.5000109.7D26 H233 R349 K388 Y389D26-F386 HydrophobicContact CB-CD2 4.08Å; D26-F386 HydrophobicContact CB-CE2 3.95Å; D26-F386 VanDerWaalsContact CG-CD2 3.46Å; D26-F386 WeakPolarHBondContact OD1-CD2 3.33Å; H233-F386 HydrophobicContact CB-CE1 4.37Å; H233-F386 WeakPolarHBondContact O-CE1 3.42Å; H233-F386 WeakPolarHBondContact O-CZ 3.31Å; R349-F386 HydrophobicContact CB-CB 4.49Å; F386-K388 VanDerWaalsContact C-N 3.29Å; F386-K388 PolarHBondContact O-N 2.88Å; F386-Y389 PolarHBondContact O-N 2.89Å; F386-Y389 VanDerWaalsContact O-N 3.08Å
387N85.7Confident91.2Very high41 Ų4120.9 Ų20.922%0.21910%0.1CC..THydrogen-bonded Turntrans50.346.3177.5-16735.5000113.2H233 Y389H233-N387 PolarHBondContact ND1-ND2 3.28Å; N387-Y389 HydrophobicContact CB-CD2 4.17Å; N387-Y389 HydrophobicContact CB-CE2 4.36Å; N387-Y389 VanDerWaalsContact O-CD2 3.3Å; N387-Y389 WeakPolarHBondContact O-CD2 3.45Å; N387-Y389 PolarHBondContact O-N 2.77Å
388K86.4Confident91.3Very high103 Ų10320.5 Ų20.545%0.44810%0.098SC..THydrogen-bonded Turntrans65.1-3.7-179.1-54.2169.1177169.20116.1E282 L285 F386E282-K388 IonicContact OE1-NZ 2.78Å; E282-K388 PolarHBondContact OE1-NZ 2.8Å; E282-K388 IonicContact OE2-NZ 3.81Å; E282-K388 PolarHBondContact OE2-NZ 2.81Å; L285-K388 HydrophobicContact CD1-CB 3.93Å; L285-K388 HydrophobicContact CD1-CD 4.47Å; F386-K388 VanDerWaalsContact C-N 3.29Å; F386-K388 PolarHBondContact O-N 2.88Å
389Y88.6Confident91.3Very high13 Ų1318.5 Ų18.55%0.0519%0.088CC..BIsolated β-bridgetrans-78.6126175.4-62.2-69.4000111.2P278 M280 L285 F290 A385 F386 N387 K391P278-Y389 HydrophobicContact CB-CD1 4.48Å; P278-Y389 HydrophobicContact CB-CE1 4.2Å; P278-Y389 HydrophobicContact CG-CD1 3.36Å; P278-Y389 HydrophobicContact CG-CD2 4.49Å; P278-Y389 HydrophobicContact CG-CE1 3.51Å; P278-Y389 HydrophobicContact CG-CG 3.9Å; M280-Y389 HydrophobicContact CG-CE1 3.84Å; M280-Y389 PolarHBondContact N-OH 3.1Å; M280-Y389 VanDerWaalsContact N-OH 3.09Å; M280-Y389 PolarHBondContact O-OH 2.78Å; M280-Y389 VanDerWaalsContact O-OH 3.12Å; M280-Y389 HydrophobicContact SD-CE1 4.47Å; L285-Y389 HydrophobicContact CD2-CD1 3.38Å; L285-Y389 HydrophobicContact CD2-CE1 3.15Å; L285-Y389 HydrophobicContact CD2-CG 4.47Å; L285-Y389 HydrophobicContact CG-CE1 4.49Å; F290-Y389 HydrophobicContact CE2-CD1 4.17Å; F290-Y389 HydrophobicContact CZ-CD1 4.27Å; A385-Y389 WeakPolarHBondContact CB-O 2.98Å; F386-Y389 PolarHBondContact O-N 2.89Å; F386-Y389 VanDerWaalsContact O-N 3.08Å; N387-Y389 HydrophobicContact CB-CD2 4.17Å; N387-Y389 HydrophobicContact CB-CE2 4.36Å; N387-Y389 VanDerWaalsContact O-CD2 3.3Å; N387-Y389 WeakPolarHBondContact O-CD2 3.45Å; N387-Y389 PolarHBondContact O-N 2.77Å; Y389-K391 PolarHBondContact O-N 2.71Å
390E89.4Confident91.4Very high81 Ų8118.1 Ų18.138%0.3799%0.085SC..SBendtrans-63.1-27.4174.957.8163-165.500113.2F290 G350 K351F290-E390 HydrophobicContact CD2-CG 4Å; F290-E390 PolarHBondContact N-OE1 3.42Å; G350-E390 CarbonylContact C-O 3.58Å; G350-E390 VanDerWaalsContact CA-O 3.25Å; G350-E390 WeakPolarHBondContact CA-O 3.44Å; K351-E390 PolarHBondContact N-O 2.89Å
391K92.6Very high91.3Very high28 Ų2818.3 Ų18.312%0.1229%0.087CC..EExtended strand (participates in β ladder)trans-145.3127.9177.3-63.5176.9-170.5163.80108.5P278 F290 W292 L295 R349 K351 Y389P278-K391 WeakPolarHBondContact CD-O 3.33Å; F290-K391 HydrophobicContact CB-CB 4.13Å; F290-K391 HydrophobicContact CB-CD 4.36Å; F290-K391 WeakPolarHBondContact O-CD 3.41Å; F290-K391 PolarHBondContact O-NZ 3.15Å; W292-K391 HydrophobicContact CD2-CD 4.19Å; W292-K391 HydrophobicContact CG-CD 4.46Å; W292-K391 HydrophobicContact CH2-CB 3.84Å; W292-K391 HydrophobicContact CH2-CG 4.22Å; W292-K391 HydrophobicContact CZ2-CB 3.85Å; W292-K391 HydrophobicContact CZ2-CD 4.08Å; W292-K391 HydrophobicContact CZ2-CG 3.69Å; W292-K391 HydrophobicContact CZ3-CB 4.27Å; L295-K391 HydrophobicContact CD1-CB 4.01Å; R349-K391 CarbonylContact O-C 3.43Å; R349-K391 WeakPolarHBondContact O-CA 3.5Å; K351-K391 WeakPolarHBondContact O-CE 3.31Å; Y389-K391 PolarHBondContact O-N 2.71Å
392S93.8Very high91.5Very high0 Ų017 Ų170%08%0.081CC..EExtended strand (participates in β ladder)trans-138.9151.9171.757.80000111I277 R349I277-S392 WeakPolarHBondContact O-CA 3.38Å; R349-S392 PolarHBondContact N-O 3.33Å; R349-S392 PolarHBondContact O-N 3.47Å
393A95.4Very high91.7Very high0 Ų018.6 Ų18.60%09%0.09CC..EExtended strand (participates in β ladder)trans-134.1128.7179.700000109.7N276 I277 W292 L299 I347 L348N276-A393 PolarHBondContact OD1-O 3.26Å; I277-A393 HydrophobicContact CG1-CB 4.08Å; I277-A393 WeakPolarHBondContact CG1-O 3.21Å; I277-A393 PolarHBondContact N-O 3.08Å; I277-A393 PolarHBondContact O-N 2.91Å; I277-A393 VanDerWaalsContact O-O 3.13Å; W292-A393 HydrophobicContact CZ3-CB 4.47Å; L299-A393 HydrophobicContact CD2-CB 3.86Å; I347-A393 CarbonylContact O-C 3.48Å; I347-A393 WeakPolarHBondContact O-CA 3.25Å; L348-A393 HydrophobicContact CD2-CB 3.66Å
394S95.9Very high92.1Very high0 Ų025 Ų250%012%0.116CC..EExtended strand (participates in β ladder)trans-120.9139178-40.60000109.3S237 R275 N276 V346 I347S237-S394 VanDerWaalsContact CB-OG 3.24Å; S237-S394 WeakPolarHBondContact CB-OG 3.38Å; S237-S394 WeakPolarHBondContact OG-CB 3.45Å; S237-S394 PolarHBondContact OG-OG 3.23Å; R275-S394 CarbonylContact O-C 3.55Å; R275-S394 VanDerWaalsContact O-CA 3.3Å; R275-S394 WeakPolarHBondContact O-CA 3.35Å; N276-S394 PolarHBondContact OD1-OG 3.26Å; V346-S394 CarbonylContact C-O 3.52Å; V346-S394 WeakPolarHBondContact CA-O 3.45Å; I347-S394 PolarHBondContact N-O 2.84Å; I347-S394 PolarHBondContact O-N 3.01Å
395L96.6Very high92.4Very high0 Ų026 Ų260%012%0.122CC..EExtended strand (participates in β ladder)trans-119.9115.1178.1172.264000108.6L274 R275 L299 L303 N344 L345 V346 F361L274-L395 WeakPolarHBondContact CA-O 3.45Å; R275-L395 HydrophobicContact CB-CB 4.47Å; R275-L395 PolarHBondContact N-O 3Å; R275-L395 PolarHBondContact O-N 2.99Å; L299-L395 HydrophobicContact CD1-CB 3.66Å; L299-L395 HydrophobicContact CD1-CD2 4.32Å; L299-L395 HydrophobicContact CD2-CB 3.92Å; L299-L395 HydrophobicContact CG-CB 3.82Å; L299-L395 HydrophobicContact CG-CD2 4.19Å; L303-L395 HydrophobicContact CB-CD2 3.78Å; L303-L395 HydrophobicContact CD1-CD2 4.01Å; L303-L395 HydrophobicContact CD2-CD2 4.31Å; L303-L395 HydrophobicContact CG-CD2 4.24Å; N344-L395 HydrophobicContact CB-CD1 4.07Å; L345-L395 WeakPolarHBondContact O-CA 3.38Å; V346-L395 HydrophobicContact CG2-CD1 3.73Å; F361-L395 HydrophobicContact CE1-CD1 4.35Å; F361-L395 HydrophobicContact CE1-CD2 4.35Å
396V97.1Very high92.8Very high2 Ų225.9 Ų25.91%0.01212%0.122CC..EExtended strand (participates in β ladder)trans-96.7129.4164.4-162.90000107.4L202 V238 L263 L272 G273 L274 L345L202-V396 HydrophobicContact CD1-CG1 4.39Å; V238-V396 HydrophobicContact CG1-CG2 4.28Å; V238-V396 HydrophobicContact CG2-CG2 3.74Å; L263-V396 HydrophobicContact CD1-CB 3.68Å; L263-V396 HydrophobicContact CD1-CG1 3.35Å; L263-V396 HydrophobicContact CD2-CB 4.43Å; L263-V396 WeakPolarHBondContact CD2-O 3.26Å; L272-V396 HydrophobicContact CB-CG1 4.15Å; L272-V396 HydrophobicContact CD1-CG1 4.42Å; G273-V396 CarbonylContact O-C 3.59Å; G273-V396 VanDerWaalsContact O-CA 3.31Å; G273-V396 WeakPolarHBondContact O-CA 3.33Å; L274-V396 HydrophobicContact CD1-CG2 3.99Å; L345-V396 HydrophobicContact CB-CB 4.37Å; L345-V396 PolarHBondContact N-O 3.32Å; L345-V396 PolarHBondContact O-N 3.5Å
397S96.3Very high93.1Very high1 Ų129.8 Ų29.81%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-138.2132-171.5-177.30000110.9G273 L303 N344 S399G273-S397 PolarHBondContact N-O 3.46Å; G273-S397 PolarHBondContact O-N 3.2Å; L303-S397 WeakPolarHBondContact CD1-OG 3.3Å; N344-S397 WeakPolarHBondContact OD1-CB 3.1Å; N344-S397 PolarHBondContact OD1-OG 3.01Å; S397-S399 WeakPolarHBondContact OG-CB 3.49Å
398N96.8Very high93.6Very high0 Ų031.6 Ų31.60%015%0.152CC..EExtended strand (participates in β ladder)trans-97100.3165.4-169.6-11.7000107.7L263 F269 M271 L272 I342 A343 Y450L263-N398 WeakPolarHBondContact O-CB 3.13Å; L263-N398 PolarHBondContact O-ND2 2.86Å; F269-N398 PolarHBondContact O-ND2 3.17Å; M271-N398 PolarHBondContact O-OD1 3.4Å; L272-N398 HydrophobicContact CD2-CB 3.77Å; I342-N398 HydrophobicContact CB-CB 4.45Å; I342-N398 PolarHBondContact N-O 3.29Å; A343-N398 PolarHBondContact N-O 3.14Å; A343-N398 PolarHBondContact O-N 3Å; N398-Y450 WeakPolarHBondContact OD1-CE1 3.47Å; N398-Y450 PolarHBondContact OD1-OH 3.08Å
399S94.4Very high94.1Very high4 Ų427 Ų273%0.02813%0.133CC..EExtended strand (participates in β ladder)trans-149.9178.6-169.991.40000111.4N339 A340 S397 L401N339-S399 PolarHBondContact ND2-OG 2.74Å; N339-S399 WeakPolarHBondContact OD1-CB 3.49Å; N339-S399 PolarHBondContact OD1-OG 2.9Å; A340-S399 WeakPolarHBondContact O-CA 3.36Å; A340-S399 WeakPolarHBondContact O-CB 3.49Å; S397-S399 WeakPolarHBondContact OG-CB 3.49Å; S399-L401 PolarHBondContact O-N 2.64Å; S399-L401 WeakPolarHBondContact OG-CB 3.49Å; S399-L401 PolarHBondContact OG-N 3.36Å; S399-L401 VanDerWaalsContact OG-N 3.11Å
400Q92.8Very high94.5Very high31 Ų3126.6 Ų26.615%0.14513%0.132CC..G310 helixtrans-66.58.5172.7-64.5174.3-40.300114.6N339 A340 L402 L403 Y450 L453N339-Q400 WeakPolarHBondContact OD1-CA 3.23Å; N339-Q400 WeakPolarHBondContact OD1-CB 3.13Å; N339-Q400 PolarHBondContact OD1-N 2.9Å; N339-Q400 VanDerWaalsContact OD1-N 3.1Å; A340-Q400 VanDerWaalsContact N-OE1 3.14Å; A340-Q400 PolarHBondContact O-N 2.92Å; A340-Q400 VanDerWaalsContact O-N 3.16Å; Q400-L402 VanDerWaalsContact C-N 3.28Å; Q400-L402 PolarHBondContact O-N 3.2Å; Q400-L403 HydrophobicContact CB-CB 4.49Å; Q400-L403 VanDerWaalsContact O-CB 3.27Å; Q400-L403 WeakPolarHBondContact O-CB 3.44Å; Q400-L403 PolarHBondContact O-N 3.41Å; Q400-L403 VanDerWaalsContact O-N 3.15Å; Q400-Y450 WeakPolarHBondContact CG-O 3.37Å; Q400-Y450 PolarHBondContact NE2-O 2.94Å; Q400-L453 HydrophobicContact CG-CB 4.35Å; Q400-L453 HydrophobicContact CG-CD1 4.07Å; Q400-L453 PolarHBondContact NE2-OXT 2.73Å
401L90.6Very high94.8Very high17 Ų1724.2 Ų24.29%0.08913%0.129CC..G310 helixtrans-52.8-47-176.5164.965.7000111.9N306 N339 S399 L403N306-L401 VanDerWaalsContact OD1-CA 3.31Å; N306-L401 WeakPolarHBondContact OD1-CA 3.46Å; N306-L401 WeakPolarHBondContact OD1-CB 3.41Å; N306-L401 WeakPolarHBondContact OD1-CD1 3.47Å; N339-L401 PolarHBondContact OD1-N 2.68Å; S399-L401 PolarHBondContact O-N 2.64Å; S399-L401 WeakPolarHBondContact OG-CB 3.49Å; S399-L401 PolarHBondContact OG-N 3.36Å; S399-L401 VanDerWaalsContact OG-N 3.11Å; L401-L403 VanDerWaalsContact C-N 3.35Å
402L92.1Very high95Very high6 Ų627.2 Ų27.23%0.03114%0.142CC..G310 helixtrans-90.30.6-172.6-65.1164.4000113.1V203 M271 Q400 P405 L406V203-L402 HydrophobicContact CB-CD1 3.69Å; V203-L402 HydrophobicContact CB-CD2 4Å; V203-L402 HydrophobicContact CG1-CD1 4.34Å; V203-L402 HydrophobicContact CG1-CD2 3.81Å; V203-L402 HydrophobicContact CG2-CD1 3.53Å; M271-L402 HydrophobicContact CB-CD1 3.86Å; M271-L402 HydrophobicContact CG-CD1 4.08Å; M271-L402 HydrophobicContact SD-CB 4.04Å; M271-L402 HydrophobicContact SD-CD1 4.14Å; Q400-L402 VanDerWaalsContact C-N 3.28Å; Q400-L402 PolarHBondContact O-N 3.2Å; L402-P405 WeakPolarHBondContact O-CD 3.36Å; L402-L406 WeakPolarHBondContact O-CB 3.46Å; L402-L406 PolarHBondContact O-N 3.02Å
403L93.4Very high95.1Very high34 Ų3427.2 Ų27.218%0.17814%0.142CC..Hα-helixtrans-61-50.1-177.3-177.262.8000111.6Q400 L401 L406 D407 I447Q400-L403 HydrophobicContact CB-CB 4.49Å; Q400-L403 VanDerWaalsContact O-CB 3.27Å; Q400-L403 WeakPolarHBondContact O-CB 3.44Å; Q400-L403 PolarHBondContact O-N 3.41Å; Q400-L403 VanDerWaalsContact O-N 3.15Å; L401-L403 VanDerWaalsContact C-N 3.35Å; L403-L406 PolarHBondContact O-N 3.14Å; L403-D407 WeakPolarHBondContact O-CB 3.14Å; L403-D407 PolarHBondContact O-N 3.49Å; L403-I447 HydrophobicContact CD1-CB 4.28Å; L403-I447 HydrophobicContact CD1-CG2 3.82Å; L403-I447 WeakPolarHBondContact CD1-O 3.31Å
404K92.6Very high95.2Very high154 Ų15432 Ų3267%0.6716%0.16SC*.Hα-helixtrans-68.1-45.5-179.5179.6176.9-177.6-179.70112.8L406 N408K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 3.1Å; K404-N408 WeakPolarHBondContact CG-ND2 3.31Å; K404-N408 WeakPolarHBondContact O-CB 3.48Å; K404-N408 PolarHBondContact O-N 2.83Å; K404-N408 VanDerWaalsContact O-N 3.1Å; K404-N408 PolarHBondContact O-ND2 3.1Å
405P93.7Very high95.3Very high24 Ų2437.2 Ų37.216%0.15619%0.188CC..Hα-helixtrans-55.6-44.6171.6-28.835.2000113.1W173 E205 L402 L409W173-P405 HydrophobicContact CZ2-CB 4.08Å; W173-P405 WeakPolarHBondContact CZ2-O 3.21Å; E205-P405 WeakPolarHBondContact OE2-CG 3.23Å; L402-P405 WeakPolarHBondContact O-CD 3.36Å; P405-L409 WeakPolarHBondContact O-CB 3.49Å; P405-L409 PolarHBondContact O-N 3.15Å
406L95.8Very high95.3Very high1 Ų138.7 Ų38.71%0.00520%0.195CC..Hα-helixtrans-64.4-49.5179.8179.560.7000112.3W173 L191 M271 L402 L403 K404 N408 L409 V410 L443 V446 I447W173-L406 HydrophobicContact CH2-CB 3.95Å; W173-L406 HydrophobicContact CH2-CD1 3.91Å; L191-L406 HydrophobicContact CD1-CD1 3.89Å; M271-L406 HydrophobicContact CE-CD2 3.49Å; M271-L406 VanDerWaalsContact CE-CD2 3.49Å; M271-L406 HydrophobicContact SD-CD2 4.27Å; L402-L406 WeakPolarHBondContact O-CB 3.46Å; L402-L406 PolarHBondContact O-N 3.02Å; L403-L406 PolarHBondContact O-N 3.14Å; K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 3.1Å; L406-N408 VanDerWaalsContact C-N 3.33Å; L406-N408 PolarHBondContact O-N 2.93Å; L406-L409 WeakPolarHBondContact O-CB 3.37Å; L406-L409 PolarHBondContact O-N 2.69Å; L406-L409 VanDerWaalsContact O-N 3.11Å; L406-V410 HydrophobicContact CD1-CG2 4.09Å; L406-V410 WeakPolarHBondContact O-CG2 3.4Å; L406-V410 PolarHBondContact O-N 3.41Å; L406-L443 HydrophobicContact CD1-CD1 4.42Å; L406-V446 HydrophobicContact CD2-CG1 4.08Å; L406-I447 HydrophobicContact CD2-CD1 4.38Å; L406-I447 HydrophobicContact CD2-CG1 3.61Å; L406-I447 HydrophobicContact CG-CD1 4.01Å; L406-I447 HydrophobicContact CG-CG1 3.73Å
407D96Very high95.3Very high86 Ų8639.5 Ų39.546%0.4620%0.199SC..Hα-helixtrans-58.5-44.2178.3-177.259.8000111.9L403 L409 V410 G411 I447L403-D407 WeakPolarHBondContact O-CB 3.14Å; L403-D407 PolarHBondContact O-N 3.49Å; D407-L409 VanDerWaalsContact C-N 3.33Å; D407-L409 PolarHBondContact O-N 2.89Å; D407-V410 PolarHBondContact O-N 2.82Å; D407-G411 PolarHBondContact O-N 3.45Å; D407-I447 HydrophobicContact CB-CD1 4.33Å
408N95.4Very high95.3Very high79 Ų7942.8 Ų42.842%0.42223%0.226SC..Hα-helixtrans-63.7-37.8175.6-74.9-56000112.9K404 L406 K412K404-N408 WeakPolarHBondContact CG-ND2 3.31Å; K404-N408 WeakPolarHBondContact O-CB 3.48Å; K404-N408 PolarHBondContact O-N 2.83Å; K404-N408 VanDerWaalsContact O-N 3.1Å; K404-N408 PolarHBondContact O-ND2 3.1Å; L406-N408 VanDerWaalsContact C-N 3.33Å; L406-N408 PolarHBondContact O-N 2.93Å; N408-K412 WeakPolarHBondContact O-CB 3.48Å; N408-K412 VanDerWaalsContact O-CG 3.26Å; N408-K412 WeakPolarHBondContact O-CG 3.41Å; N408-K412 PolarHBondContact O-N 3.49Å
409L95.9Very high95.3Very high6 Ų647.2 Ų47.23%0.03126%0.257CS..Hα-helixtrans-66.2-49.6178177.775.2000110.8W173 N184 L191 P405 L406 D407 K412 A413W173-L409 HydrophobicContact CH2-CD2 3.85Å; W173-L409 HydrophobicContact CZ2-CB 3.74Å; W173-L409 HydrophobicContact CZ2-CD2 3.46Å; W173-L409 VanDerWaalsContact CZ2-CD2 3.46Å; W173-L409 HydrophobicContact CZ2-CG 4.14Å; N184-L409 HydrophobicContact CB-CD1 4.19Å; L191-L409 HydrophobicContact CD1-CD2 3.82Å; P405-L409 WeakPolarHBondContact O-CB 3.49Å; P405-L409 PolarHBondContact O-N 3.15Å; L406-L409 WeakPolarHBondContact O-CB 3.37Å; L406-L409 PolarHBondContact O-N 2.69Å; L406-L409 VanDerWaalsContact O-N 3.11Å; D407-L409 VanDerWaalsContact C-N 3.33Å; D407-L409 PolarHBondContact O-N 2.89Å; L409-K412 PolarHBondContact O-N 3.03Å; L409-A413 WeakPolarHBondContact O-CB 3.46Å; L409-A413 PolarHBondContact O-N 2.93Å
410V97.3Very high95.3Very high5 Ų553 Ų533%0.0328%0.281CS..Hα-helixtrans-60.1-48.3178.3170.20000110V188 L406 D407 K412 A413 W414 F440 L443 E444 I447V188-V410 HydrophobicContact CG2-CG2 4.4Å; L406-V410 HydrophobicContact CD1-CG2 4.09Å; L406-V410 WeakPolarHBondContact O-CG2 3.4Å; L406-V410 PolarHBondContact O-N 3.41Å; D407-V410 PolarHBondContact O-N 2.82Å; V410-K412 PolarHBondContact O-N 3.32Å; V410-A413 PolarHBondContact O-N 3.04Å; V410-W414 WeakPolarHBondContact O-CB 3.42Å; V410-W414 PolarHBondContact O-N 3.15Å; V410-F440 HydrophobicContact CG1-CD1 4.16Å; V410-L443 HydrophobicContact CG2-CB 3.94Å; V410-L443 HydrophobicContact CG2-CD1 4.05Å; V410-E444 HydrophobicContact CG1-CG 4.26Å; V410-I447 HydrophobicContact CB-CD1 4.18Å; V410-I447 HydrophobicContact CG1-CD1 4.48Å; V410-I447 HydrophobicContact CG2-CD1 3.97Å
411G97Very high95.5Very high31 Ų3153 Ų5332%0.3229%0.286SS..Hα-helixtrans-60.2-41177.600000113.5D407 W414 N415D407-G411 PolarHBondContact O-N 3.45Å; G411-W414 PolarHBondContact O-N 3.18Å; G411-N415 WeakPolarHBondContact O-CB 3.46Å; G411-N415 PolarHBondContact O-N 3.16Å; G411-N415 PolarHBondContact O-ND2 2.86Å; G411-N415 VanDerWaalsContact O-ND2 3.15Å
412K95.9Very high95.7Very high91 Ų9156.4 Ų56.440%0.39630%0.298SS..Hα-helixtrans-64.2-44.8174.7-77.5176.5179.7179.60112G176 N408 L409 V410 N415 M416G176-K412 PolarHBondContact O-NZ 3.44Å; N408-K412 WeakPolarHBondContact O-CB 3.48Å; N408-K412 VanDerWaalsContact O-CG 3.26Å; N408-K412 WeakPolarHBondContact O-CG 3.41Å; N408-K412 PolarHBondContact O-N 3.49Å; L409-K412 PolarHBondContact O-N 3.03Å; V410-K412 PolarHBondContact O-N 3.32Å; K412-N415 PolarHBondContact O-N 3.04Å; K412-M416 WeakPolarHBondContact O-CG 3.44Å; K412-M416 PolarHBondContact O-N 3.15Å
413A96.9Very high95.9Very high0 Ų056.4 Ų56.40%030%0.299CS..Hα-helixtrans-64-42.3177.100000111.6N184 Y185 V188 L409 V410 N415 M416 F417 F440N184-A413 HydrophobicContact CB-CB 3.9Å; Y185-A413 HydrophobicContact CD1-CB 4.2Å; Y185-A413 WeakPolarHBondContact CE1-O 3.38Å; V188-A413 HydrophobicContact CB-CB 4.49Å; V188-A413 HydrophobicContact CG2-CB 3.62Å; L409-A413 WeakPolarHBondContact O-CB 3.46Å; L409-A413 PolarHBondContact O-N 2.93Å; V410-A413 PolarHBondContact O-N 3.04Å; A413-N415 PolarHBondContact O-N 3.43Å; A413-M416 WeakPolarHBondContact O-CB 3.48Å; A413-M416 PolarHBondContact O-N 2.89Å; A413-F417 WeakPolarHBondContact O-CB 3.43Å; A413-F417 PolarHBondContact O-N 2.87Å; A413-F440 HydrophobicContact CB-CE1 3.65Å; A413-F440 HydrophobicContact CB-CZ 3.94Å
414W97.8Very high95.9Very high101 Ų10160.7 Ų60.738%0.38332%0.317SS..Hα-helixtrans-61-44.2176.7-174.7-95.7000112V410 G411 M416 F417 A418 L437 F440V410-W414 WeakPolarHBondContact O-CB 3.42Å; V410-W414 PolarHBondContact O-N 3.15Å; G411-W414 PolarHBondContact O-N 3.18Å; W414-M416 VanDerWaalsContact C-N 3.3Å; W414-M416 PolarHBondContact O-N 2.92Å; W414-F417 WeakPolarHBondContact O-CB 3.46Å; W414-F417 PolarHBondContact O-N 3.19Å; W414-A418 WeakPolarHBondContact O-CB 3.44Å; W414-A418 PolarHBondContact O-N 3.37Å; W414-L437 HydrophobicContact CH2-CD2 3.94Å; W414-L437 HydrophobicContact CZ3-CD2 3.88Å; W414-F440 HydrophobicContact CB-CE1 4.25Å; W414-F440 HydrophobicContact CB-CZ 4.49Å; W414-F440 HydrophobicContact CE3-CB 4.16Å; W414-F440 HydrophobicContact CE3-CD1 4.02Å; W414-F440 AromaticContact CE3-CD2 3.54Å; W414-F440 HydrophobicContact CE3-CD2 3.54Å; W414-F440 HydrophobicContact CE3-CE1 4.28Å; W414-F440 AromaticContact CE3-CE2 3.85Å; W414-F440 HydrophobicContact CE3-CE2 3.85Å; W414-F440 AromaticContact CE3-CG 3.65Å; W414-F440 HydrophobicContact CE3-CG 3.65Å; W414-F440 HydrophobicContact CE3-CZ 4.21Å; W414-F440 HydrophobicContact CZ3-CB 4.08Å; W414-F440 AromaticContact CZ3-CD2 3.67Å; W414-F440 HydrophobicContact CZ3-CD2 3.67Å; W414-F440 HydrophobicContact CZ3-CE2 4.29Å; W414-F440 AromaticContact CZ3-CG 3.93Å; W414-F440 HydrophobicContact CZ3-CG 3.93Å
415N97Very high96Very high108 Ų10856.6 Ų56.658%0.57830%0.301SS*.Hα-helixtrans-61.2-38.8176.8-72.3-27.9000112.5G411 K412 A413 S419G411-N415 WeakPolarHBondContact O-CB 3.46Å; G411-N415 PolarHBondContact O-N 3.16Å; G411-N415 PolarHBondContact O-ND2 2.86Å; G411-N415 VanDerWaalsContact O-ND2 3.15Å; K412-N415 PolarHBondContact O-N 3.04Å; A413-N415 PolarHBondContact O-N 3.43Å; N415-S419 PolarHBondContact O-N 2.96Å; N415-S419 PolarHBondContact O-OG 3.1Å
416M96.2Very high96.2Very high32 Ų3255.5 Ų55.516%0.15829%0.293CS..Hα-helixtrans-63.9-43.2172.3-66.8171.861.400111I181 N184 Y185 K412 A413 W414 S419 K420 A421 Y422I181-M416 WeakPolarHBondContact O-CE 3.45Å; N184-M416 HydrophobicContact CB-SD 4.16Å; Y185-M416 HydrophobicContact CD2-CE 4.18Å; Y185-M416 HydrophobicContact CE1-CB 3.93Å; Y185-M416 HydrophobicContact CE2-CB 4.39Å; Y185-M416 HydrophobicContact CE2-CE 4.01Å; Y185-M416 WeakPolarHBondContact OH-CB 3.27Å; Y185-M416 PolarHBondContact OH-O 3.3Å; Y185-M416 VanDerWaalsContact OH-O 3.13Å; K412-M416 WeakPolarHBondContact O-CG 3.44Å; K412-M416 PolarHBondContact O-N 3.15Å; A413-M416 WeakPolarHBondContact O-CB 3.48Å; A413-M416 PolarHBondContact O-N 2.89Å; W414-M416 VanDerWaalsContact C-N 3.3Å; W414-M416 PolarHBondContact O-N 2.92Å; M416-S419 PolarHBondContact O-N 2.84Å; M416-K420 PolarHBondContact O-N 3.12Å; M416-A421 HydrophobicContact CB-CB 4.49Å; M416-A421 WeakPolarHBondContact O-CB 3.39Å; M416-A421 PolarHBondContact O-N 3.09Å; M416-Y422 HydrophobicContact CE-CD2 4.19Å
417F97.5Very high96.2Very high19 Ų1957.8 Ų57.88%0.08331%0.307CS..Hα-helixtrans-65.6-47.8-177.8-174.9-97.8000112.1Y185 A413 W414 S419 K420 I423 E433 F436 L437 F440Y185-F417 HydrophobicContact CE1-CB 3.99Å; Y185-F417 WeakPolarHBondContact OH-CA 3.41Å; Y185-F417 PolarHBondContact OH-N 2.98Å; A413-F417 WeakPolarHBondContact O-CB 3.43Å; A413-F417 PolarHBondContact O-N 2.87Å; W414-F417 WeakPolarHBondContact O-CB 3.46Å; W414-F417 PolarHBondContact O-N 3.19Å; F417-S419 PolarHBondContact O-N 3.06Å; F417-K420 WeakPolarHBondContact O-CA 3.29Å; F417-K420 PolarHBondContact O-N 3.48Å; F417-I423 HydrophobicContact CD2-CD1 3.51Å; F417-I423 HydrophobicContact CD2-CG1 4.2Å; F417-I423 HydrophobicContact CE2-CD1 3.67Å; F417-I423 HydrophobicContact CG-CD1 4.22Å; F417-I423 HydrophobicContact CZ-CD1 4.48Å; F417-E433 HydrophobicContact CE2-CB 4.32Å; F417-E433 HydrophobicContact CE2-CG 4.31Å; F417-E433 HydrophobicContact CZ-CB 4.03Å; F417-E433 HydrophobicContact CZ-CG 4.29Å; F417-F436 HydrophobicContact CD2-CB 3.89Å; F417-F436 HydrophobicContact CD2-CD1 4.34Å; F417-F436 HydrophobicContact CD2-CD2 4.49Å; F417-F436 HydrophobicContact CD2-CG 4.01Å; F417-F436 HydrophobicContact CE2-CB 3.46Å; F417-F436 VanDerWaalsContact CE2-CB 3.46Å; F417-F436 HydrophobicContact CE2-CD2 4.09Å; F417-F436 AromaticContact CE2-CG 3.83Å; F417-F436 HydrophobicContact CE2-CG 3.83Å; F417-F436 HydrophobicContact CZ-CB 4.13Å; F417-L437 HydrophobicContact CE1-CD2 3.76Å; F417-L437 HydrophobicContact CE1-CG 4.23Å; F417-L437 HydrophobicContact CZ-CD2 4.18Å; F417-L437 HydrophobicContact CZ-CG 4.15Å; F417-F440 HydrophobicContact CB-CE2 3.88Å; F417-F440 HydrophobicContact CB-CZ 4.02Å; F417-F440 HydrophobicContact CD1-CE2 4.18Å; F417-F440 HydrophobicContact CD2-CE2 4.09Å; F417-F440 AromaticContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CZ 4.42Å
418A96.9Very high96.1Very high70 Ų7061.4 Ų61.458%0.57932%0.319SS*.Hα-helixtrans-58.9-30.1176.800000112.5W414 K420W414-A418 WeakPolarHBondContact O-CB 3.44Å; W414-A418 PolarHBondContact O-N 3.37Å; A418-K420 VanDerWaalsContact C-N 3.27Å; A418-K420 PolarHBondContact O-N 3.41Å
419S96.6Very high96.1Very high93 Ų9360.3 Ų60.365%0.6531%0.311SS*.THydrogen-bonded Turntrans-852.3175.5-53.70000113.4N415 M416 F417 A421N415-S419 PolarHBondContact O-N 2.96Å; N415-S419 PolarHBondContact O-OG 3.1Å; M416-S419 PolarHBondContact O-N 2.84Å; F417-S419 PolarHBondContact O-N 3.06Å; S419-A421 PolarHBondContact O-N 2.85Å; S419-A421 VanDerWaalsContact O-N 3.1Å
420K94.8Very high96Very high126 Ų12662.2 Ų62.255%0.54833%0.332SS..THydrogen-bonded Turntrans50.527.7-170.5-59.5-164.7172.2-122.90114.2M416 F417 A418 Y422 I423 E433M416-K420 PolarHBondContact O-N 3.12Å; F417-K420 WeakPolarHBondContact O-CA 3.29Å; F417-K420 PolarHBondContact O-N 3.48Å; A418-K420 VanDerWaalsContact C-N 3.27Å; A418-K420 PolarHBondContact O-N 3.41Å; K420-Y422 PolarHBondContact O-N 3.21Å; K420-I423 HydrophobicContact CB-CD1 4.22Å; K420-I423 HydrophobicContact CG-CD1 4.32Å; K420-E433 IonicContact NZ-OE1 3.84Å; K420-E433 PolarHBondContact NZ-OE1 3.05Å; K420-E433 IonicContact NZ-OE2 2.73Å; K420-E433 PolarHBondContact NZ-OE2 3.3Å; K420-E433 VanDerWaalsContact NZ-OE2 3.15Å
421A95.7Very high95.9Very high29 Ų2962.4 Ų62.424%0.2433%0.333CS..  trans-71.8129.3-177.400000109.8Y185 M416 S419 I423Y185-A421 WeakPolarHBondContact CE2-O 3.49Å; Y185-A421 PolarHBondContact OH-O 3Å; M416-A421 HydrophobicContact CB-CB 4.49Å; M416-A421 WeakPolarHBondContact O-CB 3.39Å; M416-A421 PolarHBondContact O-N 3.09Å; S419-A421 PolarHBondContact O-N 2.85Å; S419-A421 VanDerWaalsContact O-N 3.1Å; A421-I423 PolarHBondContact O-N 3.01Å
422Y95.5Very high95.9Very high89 Ų8966 Ų6635%0.34934%0.341SS..SBendtrans59.11174.9-52.1-75.8000117.6I181 V182 M416 K420 H424 Q425I181-Y422 HydrophobicContact CG2-CD2 4.11Å; I181-Y422 HydrophobicContact CG2-CE1 4.32Å; I181-Y422 HydrophobicContact CG2-CE2 3.41Å; I181-Y422 VanDerWaalsContact CG2-CE2 3.41Å; V182-Y422 HydrophobicContact CG1-CD1 4.36Å; V182-Y422 HydrophobicContact CG1-CD2 4.35Å; V182-Y422 HydrophobicContact CG1-CG 3.94Å; M416-Y422 HydrophobicContact CE-CD2 4.19Å; K420-Y422 PolarHBondContact O-N 3.21Å; Y422-H424 PolarHBondContact O-N 3.18Å; Y422-Q425 WeakPolarHBondContact O-CB 3.42Å; Y422-Q425 PolarHBondContact O-N 3.23Å
423I95.3Very high95.9Very high7 Ų765.1 Ų65.14%0.03634%0.338CS..THydrogen-bonded Turntrans-55.3-40-179.9-62.8-177.4000111.7F417 K420 A421 Q425 Y426 T427 E433F417-I423 HydrophobicContact CD2-CD1 3.51Å; F417-I423 HydrophobicContact CD2-CG1 4.2Å; F417-I423 HydrophobicContact CE2-CD1 3.67Å; F417-I423 HydrophobicContact CG-CD1 4.22Å; F417-I423 HydrophobicContact CZ-CD1 4.48Å; K420-I423 HydrophobicContact CB-CD1 4.22Å; K420-I423 HydrophobicContact CG-CD1 4.32Å; A421-I423 PolarHBondContact O-N 3.01Å; I423-Q425 PolarHBondContact O-N 3.04Å; I423-Y426 WeakPolarHBondContact O-CB 3.43Å; I423-Y426 PolarHBondContact O-N 3.11Å; I423-T427 HydrophobicContact CG2-CG2 3.87Å; I423-T427 PolarHBondContact O-N 3.26Å; I423-T427 VanDerWaalsContact O-N 3.1Å; I423-E433 HydrophobicContact CG2-CG 4.03Å
424H94.6Very high95.9Very high123 Ų12371.9 Ų71.957%0.56937%0.37SS*.Hα-helixtrans-56.9-23178.269.1-88.5000114.2Y422 Y426 T427 K428Y422-H424 PolarHBondContact O-N 3.18Å; H424-Y426 VanDerWaalsContact C-N 3.29Å; H424-T427 WeakPolarHBondContact CA-OG1 3.44Å; H424-T427 PolarHBondContact O-OG1 3.06Å; H424-K428 WeakPolarHBondContact O-CB 3.39Å; H424-K428 PolarHBondContact O-N 3.27Å
425Q94.4Very high95.8Very high69 Ų6970 Ų7032%0.32237%0.367SS..Hα-helixtrans-72.8-25.9175.9-59.2-170.5-0.900111.9N103 Y422 I423 F429N103-Q425 PolarHBondContact ND2-O 3.33Å; Y422-Q425 WeakPolarHBondContact O-CB 3.42Å; Y422-Q425 PolarHBondContact O-N 3.23Å; I423-Q425 PolarHBondContact O-N 3.04Å; Q425-F429 WeakPolarHBondContact O-CD2 3.49Å
426Y97.1Very high95.9Very high0 Ų064.9 Ų64.90%034%0.34CS..Hα-helixtrans-90.9-43.5-179.8-67.5-103000110.9W104 A105 V182 Y185 N186 L189 I423 H424 K428 F429 G430 I431 F436W104-Y426 HydrophobicContact CB-CE1 4.07Å; A105-Y426 HydrophobicContact CB-CD1 3.82Å; A105-Y426 HydrophobicContact CB-CG 4.33Å; V182-Y426 HydrophobicContact CB-CE2 4.39Å; V182-Y426 WeakPolarHBondContact CB-OH 3.31Å; V182-Y426 HydrophobicContact CG1-CE2 4.5Å; V182-Y426 PolarHBondContact O-OH 2.84Å; Y185-Y426 WeakPolarHBondContact CB-OH 3.33Å; Y185-Y426 HydrophobicContact CD2-CD2 4.4Å; Y185-Y426 AromaticContact CD2-CE2 3.7Å; Y185-Y426 HydrophobicContact CD2-CE2 3.7Å; Y185-Y426 HydrophobicContact CE2-CE2 4.48Å; Y185-Y426 HydrophobicContact CG-CE2 4.45Å; N186-Y426 PolarHBondContact OD1-OH 3.03Å; L189-Y426 HydrophobicContact CD1-CD1 3.87Å; L189-Y426 HydrophobicContact CD1-CE1 3.81Å; I423-Y426 WeakPolarHBondContact O-CB 3.43Å; I423-Y426 PolarHBondContact O-N 3.11Å; H424-Y426 VanDerWaalsContact C-N 3.29Å; Y426-K428 PolarHBondContact O-N 3.3Å; Y426-F429 CarbonylContact O-C 3.57Å; Y426-F429 WeakPolarHBondContact O-CA 3.49Å; Y426-F429 PolarHBondContact O-N 2.86Å; Y426-G430 PolarHBondContact O-N 2.63Å; Y426-I431 CarbonylContact C-O 3.47Å; Y426-I431 PolarHBondContact O-N 2.95Å; Y426-F436 HydrophobicContact CD1-CE2 4.44Å; Y426-F436 AromaticContact CD1-CZ 3.74Å; Y426-F436 HydrophobicContact CD1-CZ 3.74Å; Y426-F436 HydrophobicContact CD2-CZ 4.08Å; Y426-F436 HydrophobicContact CE1-CZ 4.26Å; Y426-F436 HydrophobicContact CG-CE2 4.15Å; Y426-F436 AromaticContact CG-CZ 3.66Å; Y426-F436 HydrophobicContact CG-CZ 3.66Å
427T95.4Very high96Very high49 Ų4966.7 Ų66.730%0.30135%0.35SS..Hα-helixtrans-61.5-32177.261.50000112.5I423 H424 F429 G430 I431I423-T427 HydrophobicContact CG2-CG2 3.87Å; I423-T427 PolarHBondContact O-N 3.26Å; I423-T427 VanDerWaalsContact O-N 3.1Å; H424-T427 WeakPolarHBondContact CA-OG1 3.44Å; H424-T427 PolarHBondContact O-OG1 3.06Å; T427-F429 PolarHBondContact O-N 2.83Å; T427-G430 PolarHBondContact O-N 3.31Å; T427-I431 WeakPolarHBondContact CA-O 3.48Å; T427-I431 VanDerWaalsContact CG2-O 3.28Å; T427-I431 WeakPolarHBondContact CG2-O 3.41Å; T427-I431 PolarHBondContact N-O 3.32Å
428K95.1Very high96Very high163 Ų16370.3 Ų70.371%0.70937%0.37SS*.THydrogen-bonded Turntrans-54.1-27.8171.3-179.5178176.7-176.60113.4H424 Y426H424-K428 WeakPolarHBondContact O-CB 3.39Å; H424-K428 PolarHBondContact O-N 3.27Å; Y426-K428 PolarHBondContact O-N 3.3Å
429F95.1Very high96Very high55 Ų5567.1 Ų67.124%0.24134%0.343CS..THydrogen-bonded Turntrans-10917.5179.8-58.9-66.9000112.6A105 N106 S109 V110 Q425 Y426 T427A105-F429 HydrophobicContact CB-CB 3.79Å; A105-F429 HydrophobicContact CB-CD2 4.42Å; N106-F429 HydrophobicContact CB-CD1 4.24Å; N106-F429 HydrophobicContact CB-CD2 3.85Å; N106-F429 HydrophobicContact CB-CE1 4.16Å; N106-F429 HydrophobicContact CB-CE2 3.8Å; N106-F429 HydrophobicContact CB-CG 4.07Å; N106-F429 HydrophobicContact CB-CZ 3.94Å; S109-F429 WeakPolarHBondContact CB-O 3.29Å; S109-F429 PolarHBondContact OG-O 2.57Å; V110-F429 HydrophobicContact CG2-CB 4.29Å; V110-F429 HydrophobicContact CG2-CD1 3.61Å; V110-F429 HydrophobicContact CG2-CE1 4.35Å; V110-F429 HydrophobicContact CG2-CG 4.31Å; Q425-F429 WeakPolarHBondContact O-CD2 3.49Å; Y426-F429 CarbonylContact O-C 3.57Å; Y426-F429 WeakPolarHBondContact O-CA 3.49Å; Y426-F429 PolarHBondContact O-N 2.86Å; T427-F429 PolarHBondContact O-N 2.83Å
430G93.3Very high96.1Very high46 Ų4662.7 Ų62.747%0.47431%0.313SS..THydrogen-bonded Turntrans82.520.5171.900000115.4Y426 T427Y426-G430 PolarHBondContact O-N 2.63Å; T427-G430 PolarHBondContact O-N 3.31Å
431I96.4Very high96.3Very high10 Ų1060.8 Ų60.85%0.05131%0.312CS..  trans-98.3112.8167.6-61.6-58.3000108.3W104 A105 Y426 T427 D435 F436W104-I431 HydrophobicContact CE3-CG1 4.4Å; W104-I431 HydrophobicContact CZ3-CD1 3.75Å; W104-I431 HydrophobicContact CZ3-CG1 4.02Å; A105-I431 HydrophobicContact CB-CB 4.07Å; A105-I431 HydrophobicContact CB-CG1 3.43Å; A105-I431 VanDerWaalsContact CB-CG1 3.43Å; Y426-I431 CarbonylContact C-O 3.47Å; Y426-I431 PolarHBondContact O-N 2.95Å; T427-I431 WeakPolarHBondContact CA-O 3.48Å; T427-I431 VanDerWaalsContact CG2-O 3.28Å; T427-I431 WeakPolarHBondContact CG2-O 3.41Å; T427-I431 PolarHBondContact N-O 3.32Å; I431-D435 HydrophobicContact CG2-CB 3.92Å; I431-F436 HydrophobicContact CG2-CD2 4.13Å; I431-F436 HydrophobicContact CG2-CE2 3.75Å; I431-F436 HydrophobicContact CG2-CZ 4.41Å
432E95.8Very high96.4Very high105 Ų10560.9 Ų60.949%0.49131%0.312SS..  trans-87.1168.3-175.4-62.1-57.9140.700111.7E434 D435 F436E432-E434 PolarHBondContact O-N 3.48Å; E432-D435 PolarHBondContact N-OD2 2.8Å; E432-D435 PolarHBondContact O-N 2.98Å; E432-F436 WeakPolarHBondContact O-CD2 3.45Å
433E95.6Very high96.5Very high74 Ų7456.6 Ų56.635%0.34630%0.295SS..Hα-helixtrans-60.6-29.6176.6-72.6-172.2-169.900112.1F417 K420 I423 F436 L437F417-E433 HydrophobicContact CE2-CB 4.32Å; F417-E433 HydrophobicContact CE2-CG 4.31Å; F417-E433 HydrophobicContact CZ-CB 4.03Å; F417-E433 HydrophobicContact CZ-CG 4.29Å; K420-E433 IonicContact NZ-OE1 3.84Å; K420-E433 PolarHBondContact NZ-OE1 3.05Å; K420-E433 IonicContact NZ-OE2 2.73Å; K420-E433 PolarHBondContact NZ-OE2 3.3Å; K420-E433 VanDerWaalsContact NZ-OE2 3.15Å; I423-E433 HydrophobicContact CG2-CG 4.03Å; E433-F436 WeakPolarHBondContact O-CB 3.25Å; E433-F436 PolarHBondContact O-N 3.11Å; E433-L437 WeakPolarHBondContact O-CG 3.25Å; E433-L437 PolarHBondContact O-N 3.06Å
434E97Very high96.6Very high142 Ų14260.7 Ų60.766%0.66431%0.314SS*.Hα-helixtrans-65.3-41.6177.1-169.6168.6-167.300112.2E432 F436 L437 D438E432-E434 PolarHBondContact O-N 3.48Å; E434-F436 PolarHBondContact O-N 3.13Å; E434-L437 WeakPolarHBondContact O-CB 3.37Å; E434-L437 PolarHBondContact O-N 2.92Å; E434-D438 PolarHBondContact O-N 3.34Å
435D97.1Very high96.7Very high61 Ų6160.4 Ų60.433%0.32631%0.313SS..Hα-helixtrans-60.4-34177.8-61.8-56.8000112.3I431 E432 S439I431-D435 HydrophobicContact CG2-CB 3.92Å; E432-D435 PolarHBondContact N-OD2 2.8Å; E432-D435 PolarHBondContact O-N 2.98Å; D435-S439 WeakPolarHBondContact O-CB 3.45Å; D435-S439 PolarHBondContact O-N 2.77Å; D435-S439 VanDerWaalsContact O-N 3.12Å; D435-S439 PolarHBondContact O-OG 2.91Å
436F97.8Very high96.7Very high0 Ų057.6 Ų57.60%030%0.301CS..Hα-helixtrans-68.1-46.8173.3-80.4-82000111.4Y185 L189 F417 Y426 I431 E432 E433 E434 D438 S439 F440Y185-F436 HydrophobicContact CD1-CD1 4.15Å; Y185-F436 AromaticContact CD1-CE1 3.64Å; Y185-F436 HydrophobicContact CD1-CE1 3.64Å; Y185-F436 HydrophobicContact CD2-CE1 4.31Å; Y185-F436 HydrophobicContact CE1-CD1 4.5Å; Y185-F436 HydrophobicContact CE1-CE1 4.2Å; Y185-F436 AromaticContact CG-CE1 3.71Å; Y185-F436 HydrophobicContact CG-CE1 3.71Å; Y185-F436 HydrophobicContact CG-CZ 4.32Å; L189-F436 HydrophobicContact CD1-CD1 4.5Å; L189-F436 HydrophobicContact CD1-CE1 3.76Å; L189-F436 HydrophobicContact CD1-CZ 3.9Å; L189-F436 HydrophobicContact CD2-CD1 4.22Å; L189-F436 HydrophobicContact CD2-CE1 4.28Å; L189-F436 HydrophobicContact CG-CD1 4.41Å; L189-F436 HydrophobicContact CG-CE1 4.09Å; F417-F436 HydrophobicContact CD2-CB 3.89Å; F417-F436 HydrophobicContact CD2-CD1 4.34Å; F417-F436 HydrophobicContact CD2-CD2 4.49Å; F417-F436 HydrophobicContact CD2-CG 4.01Å; F417-F436 HydrophobicContact CE2-CB 3.46Å; F417-F436 VanDerWaalsContact CE2-CB 3.46Å; F417-F436 HydrophobicContact CE2-CD2 4.09Å; F417-F436 AromaticContact CE2-CG 3.83Å; F417-F436 HydrophobicContact CE2-CG 3.83Å; F417-F436 HydrophobicContact CZ-CB 4.13Å; Y426-F436 HydrophobicContact CD1-CE2 4.44Å; Y426-F436 AromaticContact CD1-CZ 3.74Å; Y426-F436 HydrophobicContact CD1-CZ 3.74Å; Y426-F436 HydrophobicContact CD2-CZ 4.08Å; Y426-F436 HydrophobicContact CE1-CZ 4.26Å; Y426-F436 HydrophobicContact CG-CE2 4.15Å; Y426-F436 AromaticContact CG-CZ 3.66Å; Y426-F436 HydrophobicContact CG-CZ 3.66Å; I431-F436 HydrophobicContact CG2-CD2 4.13Å; I431-F436 HydrophobicContact CG2-CE2 3.75Å; I431-F436 HydrophobicContact CG2-CZ 4.41Å; E432-F436 WeakPolarHBondContact O-CD2 3.45Å; E433-F436 WeakPolarHBondContact O-CB 3.25Å; E433-F436 PolarHBondContact O-N 3.11Å; E434-F436 PolarHBondContact O-N 3.13Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 2.91Å; F436-S439 PolarHBondContact O-N 3.09Å; F436-F440 HydrophobicContact CB-CD2 4.36Å; F436-F440 HydrophobicContact CB-CE2 4.09Å; F436-F440 HydrophobicContact CD1-CE2 4.46Å; F436-F440 WeakPolarHBondContact O-CD2 3.5Å; F436-F440 WeakPolarHBondContact O-CG 3.39Å; F436-F440 PolarHBondContact O-N 3.26Å
437L98.1Very high96.7Very high70 Ų7058.5 Ų58.537%0.36631%0.305SS..Hα-helixtrans-61.6-40.9179.8-69174000111.8W414 F417 E433 E434 S439 F440 T441W414-L437 HydrophobicContact CH2-CD2 3.94Å; W414-L437 HydrophobicContact CZ3-CD2 3.88Å; F417-L437 HydrophobicContact CE1-CD2 3.76Å; F417-L437 HydrophobicContact CE1-CG 4.23Å; F417-L437 HydrophobicContact CZ-CD2 4.18Å; F417-L437 HydrophobicContact CZ-CG 4.15Å; E433-L437 WeakPolarHBondContact O-CG 3.25Å; E433-L437 PolarHBondContact O-N 3.06Å; E434-L437 WeakPolarHBondContact O-CB 3.37Å; E434-L437 PolarHBondContact O-N 2.92Å; L437-S439 VanDerWaalsContact C-N 3.34Å; L437-F440 PolarHBondContact O-N 2.89Å; L437-T441 WeakPolarHBondContact O-CB 3.37Å; L437-T441 PolarHBondContact O-N 2.97Å; L437-T441 PolarHBondContact O-OG1 3.1Å
438D98.1Very high96.7Very high95 Ų9559.1 Ų59.151%0.50831%0.312SS..Hα-helixtrans-62.3-43.6174.2-74.6-11.2000111.1E434 F436 T441 A442E434-D438 PolarHBondContact O-N 3.34Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 2.91Å; D438-T441 PolarHBondContact O-N 3.28Å; D438-A442 WeakPolarHBondContact O-CB 3.44Å; D438-A442 PolarHBondContact O-N 2.81Å
439S98.1Very high96.6Very high3 Ų352.3 Ų52.32%0.02129%0.285CS..Hα-helixtrans-66.5-37.4177.4-63.30000113.1S192 D435 F436 L437 L443S192-S439 WeakPolarHBondContact OG-CA 3.39Å; S192-S439 PolarHBondContact OG-OG 3.37Å; D435-S439 WeakPolarHBondContact O-CB 3.45Å; D435-S439 PolarHBondContact O-N 2.77Å; D435-S439 VanDerWaalsContact O-N 3.12Å; D435-S439 PolarHBondContact O-OG 2.91Å; F436-S439 PolarHBondContact O-N 3.09Å; L437-S439 VanDerWaalsContact C-N 3.34Å; S439-L443 WeakPolarHBondContact O-CG 3.35Å; S439-L443 PolarHBondContact O-N 3.35Å
440F98.4Very high96.6Very high1 Ų149.9 Ų49.90%0.00427%0.274CS..Hα-helixtrans-63.3-49.8172.5-73.8-57.5000110.9V188 V410 A413 W414 F417 F436 L437 A442 L443 E444V188-F440 HydrophobicContact CG1-CD1 4.04Å; V188-F440 HydrophobicContact CG1-CE1 4.03Å; V188-F440 HydrophobicContact CG2-CE1 4.18Å; V410-F440 HydrophobicContact CG1-CD1 4.16Å; A413-F440 HydrophobicContact CB-CE1 3.65Å; A413-F440 HydrophobicContact CB-CZ 3.94Å; W414-F440 HydrophobicContact CB-CE1 4.25Å; W414-F440 HydrophobicContact CB-CZ 4.49Å; W414-F440 HydrophobicContact CE3-CB 4.16Å; W414-F440 HydrophobicContact CE3-CD1 4.02Å; W414-F440 AromaticContact CE3-CD2 3.54Å; W414-F440 HydrophobicContact CE3-CD2 3.54Å; W414-F440 HydrophobicContact CE3-CE1 4.28Å; W414-F440 AromaticContact CE3-CE2 3.85Å; W414-F440 HydrophobicContact CE3-CE2 3.85Å; W414-F440 AromaticContact CE3-CG 3.65Å; W414-F440 HydrophobicContact CE3-CG 3.65Å; W414-F440 HydrophobicContact CE3-CZ 4.21Å; W414-F440 HydrophobicContact CZ3-CB 4.08Å; W414-F440 AromaticContact CZ3-CD2 3.67Å; W414-F440 HydrophobicContact CZ3-CD2 3.67Å; W414-F440 HydrophobicContact CZ3-CE2 4.29Å; W414-F440 AromaticContact CZ3-CG 3.93Å; W414-F440 HydrophobicContact CZ3-CG 3.93Å; F417-F440 HydrophobicContact CB-CE2 3.88Å; F417-F440 HydrophobicContact CB-CZ 4.02Å; F417-F440 HydrophobicContact CD1-CE2 4.18Å; F417-F440 HydrophobicContact CD2-CE2 4.09Å; F417-F440 AromaticContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CE2 3.79Å; F417-F440 HydrophobicContact CG-CZ 4.42Å; F436-F440 HydrophobicContact CB-CD2 4.36Å; F436-F440 HydrophobicContact CB-CE2 4.09Å; F436-F440 HydrophobicContact CD1-CE2 4.46Å; F436-F440 WeakPolarHBondContact O-CD2 3.5Å; F436-F440 WeakPolarHBondContact O-CG 3.39Å; F436-F440 PolarHBondContact O-N 3.26Å; L437-F440 PolarHBondContact O-N 2.89Å; F440-A442 VanDerWaalsContact C-N 3.32Å; F440-A442 PolarHBondContact O-N 2.91Å; F440-L443 PolarHBondContact O-N 3.5Å; F440-L443 VanDerWaalsContact O-N 3.17Å; F440-E444 WeakPolarHBondContact O-CB 3.27Å; F440-E444 WeakPolarHBondContact O-CG 3.37Å; F440-E444 PolarHBondContact O-N 3.34Å
441T98.1Very high96.5Very high86 Ų8651.5 Ų51.553%0.52828%0.275SS..Hα-helixtrans-58-45.2-179.6-57.20000111.3L437 D438 L443 E444 Q445L437-T441 WeakPolarHBondContact O-CB 3.37Å; L437-T441 PolarHBondContact O-N 2.97Å; L437-T441 PolarHBondContact O-OG1 3.1Å; D438-T441 PolarHBondContact O-N 3.28Å; T441-L443 PolarHBondContact O-N 3.22Å; T441-E444 PolarHBondContact O-N 3.34Å; T441-Q445 PolarHBondContact O-N 3.19Å
442A97.4Very high96Very high30 Ų3057.6 Ų57.625%0.24831%0.306CS..Hα-helixtrans-60.2-44.8177.800000112.3D438 F440 Q445 V446D438-A442 WeakPolarHBondContact O-CB 3.44Å; D438-A442 PolarHBondContact O-N 2.81Å; F440-A442 VanDerWaalsContact C-N 3.32Å; F440-A442 PolarHBondContact O-N 2.91Å; A442-Q445 PolarHBondContact O-N 3.38Å; A442-V446 WeakPolarHBondContact O-CG2 3.36Å; A442-V446 PolarHBondContact O-N 3.11Å
443L97.6Very high95.3Very high0 Ų055 Ų550%030%0.296CS..Hα-helixtrans-75-33.3179.8-63.5-178.2000113.1V188 L191 Y195 L406 V410 S439 F440 T441 Q445 V446 I447V188-L443 HydrophobicContact CB-CD1 4.14Å; V188-L443 HydrophobicContact CG1-CD1 3.94Å; V188-L443 HydrophobicContact CG2-CD1 4.1Å; L191-L443 HydrophobicContact CB-CD1 4.07Å; L191-L443 HydrophobicContact CB-CD2 3.8Å; Y195-L443 HydrophobicContact CD2-CD2 4.39Å; L406-L443 HydrophobicContact CD1-CD1 4.42Å; V410-L443 HydrophobicContact CG2-CB 3.94Å; V410-L443 HydrophobicContact CG2-CD1 4.05Å; S439-L443 WeakPolarHBondContact O-CG 3.35Å; S439-L443 PolarHBondContact O-N 3.35Å; F440-L443 PolarHBondContact O-N 3.5Å; F440-L443 VanDerWaalsContact O-N 3.17Å; T441-L443 PolarHBondContact O-N 3.22Å; L443-Q445 VanDerWaalsContact C-N 3.31Å; L443-V446 WeakPolarHBondContact O-CB 3.46Å; L443-V446 PolarHBondContact O-N 3.1Å; L443-I447 VanDerWaalsContact O-CG1 3.31Å; L443-I447 WeakPolarHBondContact O-CG1 3.14Å; L443-I447 PolarHBondContact O-N 3.14Å
444E97.3Very high95.3Very high93 Ų9354.1 Ų54.144%0.43529%0.293SS..Hα-helixtrans-63.4-38.4172.3-75.3179.1175.200111.4V410 F440 T441 I447 S448V410-E444 HydrophobicContact CG1-CG 4.26Å; F440-E444 WeakPolarHBondContact O-CB 3.27Å; F440-E444 WeakPolarHBondContact O-CG 3.37Å; F440-E444 PolarHBondContact O-N 3.34Å; T441-E444 PolarHBondContact O-N 3.34Å; E444-I447 PolarHBondContact O-N 3.12Å; E444-S448 WeakPolarHBondContact O-CB 3.49Å; E444-S448 PolarHBondContact O-N 3.33Å
445Q96.6Very high95.2Very high116 Ų11649.5 Ų49.554%0.54227%0.274SS..Hα-helixtrans-60.6-46.6171.3-177.3178.6-11.900111T441 A442 L443 I447 S448 S449T441-Q445 PolarHBondContact O-N 3.19Å; A442-Q445 PolarHBondContact O-N 3.38Å; L443-Q445 VanDerWaalsContact C-N 3.31Å; Q445-I447 PolarHBondContact O-N 2.78Å; Q445-S448 WeakPolarHBondContact O-CB 3.21Å; Q445-S448 PolarHBondContact O-N 3.33Å; Q445-S449 PolarHBondContact O-N 2.85Å; Q445-S449 PolarHBondContact O-OG 3.38Å; Q445-S449 VanDerWaalsContact O-OG 3.07Å
446V96.1Very high95.1Very high11 Ų1148.8 Ų48.87%0.06727%0.271CS..Hα-helixtrans-59.2-45.8176.4172.30000111.3Y195 M271 L406 A442 L443 S448 S449 Y450Y195-V446 HydrophobicContact CD1-CG2 3.93Å; Y195-V446 HydrophobicContact CE1-CG1 4.01Å; Y195-V446 HydrophobicContact CE1-CG2 3.74Å; Y195-V446 HydrophobicContact CE2-CG1 4.17Å; Y195-V446 HydrophobicContact CE2-CG2 4.44Å; Y195-V446 HydrophobicContact CG-CG2 4.37Å; Y195-V446 WeakPolarHBondContact OH-CG1 3.3Å; M271-V446 HydrophobicContact CE-CG1 3.54Å; L406-V446 HydrophobicContact CD2-CG1 4.08Å; A442-V446 WeakPolarHBondContact O-CG2 3.36Å; A442-V446 PolarHBondContact O-N 3.11Å; L443-V446 WeakPolarHBondContact O-CB 3.46Å; L443-V446 PolarHBondContact O-N 3.1Å; V446-S448 VanDerWaalsContact C-N 3.33Å; V446-S448 PolarHBondContact O-N 3.14Å; V446-S449 PolarHBondContact O-N 2.98Å; V446-Y450 HydrophobicContact CG1-CD2 3.85Å; V446-Y450 HydrophobicContact CG1-CE2 4Å; V446-Y450 WeakPolarHBondContact O-CD2 3.38Å; V446-Y450 PolarHBondContact O-N 3.32Å
447I96.3Very high95Very high18 Ų1851.7 Ų51.79%0.09229%0.287CS..Hα-helixtrans-57.1-48.3175.4-70.5165000110.2L403 L406 D407 V410 L443 E444 Q445 S449 Y450 T451L403-I447 HydrophobicContact CD1-CB 4.28Å; L403-I447 HydrophobicContact CD1-CG2 3.82Å; L403-I447 WeakPolarHBondContact CD1-O 3.31Å; L406-I447 HydrophobicContact CD2-CD1 4.38Å; L406-I447 HydrophobicContact CD2-CG1 3.61Å; L406-I447 HydrophobicContact CG-CD1 4.01Å; L406-I447 HydrophobicContact CG-CG1 3.73Å; D407-I447 HydrophobicContact CB-CD1 4.33Å; V410-I447 HydrophobicContact CB-CD1 4.18Å; V410-I447 HydrophobicContact CG1-CD1 4.48Å; V410-I447 HydrophobicContact CG2-CD1 3.97Å; L443-I447 VanDerWaalsContact O-CG1 3.31Å; L443-I447 WeakPolarHBondContact O-CG1 3.14Å; L443-I447 PolarHBondContact O-N 3.14Å; E444-I447 PolarHBondContact O-N 3.12Å; Q445-I447 PolarHBondContact O-N 2.78Å; I447-S449 PolarHBondContact O-N 2.87Å; I447-Y450 PolarHBondContact O-N 3.33Å; I447-T451 WeakPolarHBondContact O-CB 3.46Å; I447-T451 PolarHBondContact O-N 3.38Å; I447-T451 PolarHBondContact O-OG1 3.5Å
448S95.9Very high94.8Very high63 Ų6350.6 Ų50.644%0.44128%0.282SS..Hα-helixtrans-57.6-48.2179.3-174.70000111.3E444 Q445 V446 Y450 T451 I452E444-S448 WeakPolarHBondContact O-CB 3.49Å; E444-S448 PolarHBondContact O-N 3.33Å; Q445-S448 WeakPolarHBondContact O-CB 3.21Å; Q445-S448 PolarHBondContact O-N 3.33Å; V446-S448 VanDerWaalsContact C-N 3.33Å; V446-S448 PolarHBondContact O-N 3.14Å; S448-Y450 PolarHBondContact O-N 3.48Å; S448-T451 WeakPolarHBondContact O-CB 3.35Å; S448-T451 PolarHBondContact O-N 3.41Å; S448-T451 VanDerWaalsContact O-N 3.09Å; S448-I452 WeakPolarHBondContact O-CD1 3.15Å; S448-I452 WeakPolarHBondContact O-CG1 3.36Å; S448-I452 PolarHBondContact O-N 3.04Å
449S93.4Very high94.6Very high19 Ų1947.6 Ų47.613%0.13327%0.266CS..Hα-helixtrans-64.1-42.5-178.6-59.60000112.3E268 Q445 V446 I447 T451 I452E268-S449 VanDerWaalsContact CD-OG 3.26Å; E268-S449 WeakPolarHBondContact OE1-CB 3.37Å; E268-S449 PolarHBondContact OE1-OG 3.29Å; Q445-S449 PolarHBondContact O-N 2.85Å; Q445-S449 PolarHBondContact O-OG 3.38Å; Q445-S449 VanDerWaalsContact O-OG 3.07Å; V446-S449 PolarHBondContact O-N 2.98Å; I447-S449 PolarHBondContact O-N 2.87Å; S449-T451 VanDerWaalsContact C-N 3.3Å; S449-T451 PolarHBondContact O-N 3.3Å; S449-I452 PolarHBondContact O-N 2.87Å
450Y93.4Very high94.3Very high4 Ų450.8 Ų50.82%0.01628%0.284CS..Hα-helixtrans-69-26.9173.9-86.7-85.6000113F269 K270 M271 I342 N398 Q400 V446 I447 S448 I452 L453F269-Y450 VanDerWaalsContact C-OH 3.27Å; F269-Y450 VanDerWaalsContact CA-OH 3.29Å; F269-Y450 WeakPolarHBondContact CA-OH 3.25Å; F269-Y450 HydrophobicContact CB-CE2 4.38Å; F269-Y450 HydrophobicContact CD1-CD1 4.09Å; F269-Y450 AromaticContact CD1-CD2 3.81Å; F269-Y450 HydrophobicContact CD1-CD2 3.81Å; F269-Y450 AromaticContact CD1-CE1 3.88Å; F269-Y450 HydrophobicContact CD1-CE1 3.88Å; F269-Y450 AromaticContact CD1-CE2 3.62Å; F269-Y450 HydrophobicContact CD1-CE2 3.62Å; F269-Y450 HydrophobicContact CD1-CG 4.05Å; F269-Y450 AromaticContact CD1-CZ 3.64Å; F269-Y450 HydrophobicContact CE1-CD2 4.24Å; F269-Y450 HydrophobicContact CE1-CE2 4.47Å; F269-Y450 HydrophobicContact CE1-CG 4.27Å; F269-Y450 HydrophobicContact CG-CE2 4.46Å; K270-Y450 PolarHBondContact N-OH 3.44Å; M271-Y450 HydrophobicContact CB-CE2 4.48Å; M271-Y450 HydrophobicContact CE-CD2 4.09Å; M271-Y450 HydrophobicContact CE-CE2 3.79Å; M271-Y450 PolarHBondContact N-OH 3.21Å; M271-Y450 VanDerWaalsContact N-OH 3.09Å; I342-Y450 HydrophobicContact CD1-CE1 4.18Å; N398-Y450 WeakPolarHBondContact OD1-CE1 3.47Å; N398-Y450 PolarHBondContact OD1-OH 3.08Å; Q400-Y450 WeakPolarHBondContact CG-O 3.37Å; Q400-Y450 PolarHBondContact NE2-O 2.94Å; V446-Y450 HydrophobicContact CG1-CD2 3.85Å; V446-Y450 HydrophobicContact CG1-CE2 4Å; V446-Y450 WeakPolarHBondContact O-CD2 3.38Å; V446-Y450 PolarHBondContact O-N 3.32Å; I447-Y450 PolarHBondContact O-N 3.33Å; S448-Y450 PolarHBondContact O-N 3.48Å; Y450-I452 VanDerWaalsContact C-N 3.32Å; Y450-L453 HydrophobicContact CD1-CD1 3.57Å; Y450-L453 HydrophobicContact CE1-CD1 4.24Å; Y450-L453 HydrophobicContact CG-CD1 4.25Å; Y450-L453 WeakPolarHBondContact O-CG 3.26Å
451T91.7Very high94Very high81 Ų8154.6 Ų54.650%0.49731%0.306SS..Hα-helixtrans-72.2-26.5178.3-59.20000112.5I447 S448 S449 L453I447-T451 WeakPolarHBondContact O-CB 3.46Å; I447-T451 PolarHBondContact O-N 3.38Å; I447-T451 PolarHBondContact O-OG1 3.5Å; S448-T451 WeakPolarHBondContact O-CB 3.35Å; S448-T451 PolarHBondContact O-N 3.41Å; S448-T451 VanDerWaalsContact O-N 3.09Å; S449-T451 VanDerWaalsContact C-N 3.3Å; S449-T451 PolarHBondContact O-N 3.3Å; T451-L453 VanDerWaalsContact C-N 3.34Å
452I87.1Confident93.7Very high137 Ų13752 Ų5270%0.70329%0.287SS*.THydrogen-bonded Turntrans-80.6-15.5-178.3-67.3158.8000112.5S448 S449 Y450S448-I452 WeakPolarHBondContact O-CD1 3.15Å; S448-I452 WeakPolarHBondContact O-CG1 3.36Å; S448-I452 PolarHBondContact O-N 3.04Å; S449-I452 PolarHBondContact O-N 2.87Å; Y450-I452 VanDerWaalsContact C-N 3.32Å
453L81.3Confident93.3Very high52 Ų5254 Ų5427%0.27229%0.291SS..  trans-60.40173.4-51.2172.4000111.3F269 A340 I342 T368 Q400 Y450 T451F269-L453 HydrophobicContact CE1-CD1 4.29Å; F269-L453 HydrophobicContact CE1-CD2 3.86Å; F269-L453 HydrophobicContact CE1-CG 4.26Å; F269-L453 HydrophobicContact CE2-CD2 4.5Å; F269-L453 HydrophobicContact CZ-CD2 3.82Å; A340-L453 HydrophobicContact CB-CB 4.34Å; I342-L453 HydrophobicContact CD1-CD1 3.6Å; I342-L453 HydrophobicContact CD1-CD2 3.81Å; I342-L453 HydrophobicContact CD1-CG 4.36Å; I342-L453 HydrophobicContact CG1-CD1 3.75Å; I342-L453 HydrophobicContact CG1-CD2 3.69Å; I342-L453 HydrophobicContact CG1-CG 4.35Å; T368-L453 HydrophobicContact CG2-CB 3.9Å; T368-L453 HydrophobicContact CG2-CD2 3.53Å; T368-L453 HydrophobicContact CG2-CG 4.25Å; Q400-L453 HydrophobicContact CG-CB 4.35Å; Q400-L453 HydrophobicContact CG-CD1 4.07Å; Q400-L453 PolarHBondContact NE2-OXT 2.73Å; Y450-L453 HydrophobicContact CD1-CD1 3.57Å; Y450-L453 HydrophobicContact CE1-CD1 4.24Å; Y450-L453 HydrophobicContact CG-CD1 4.25Å; Y450-L453 WeakPolarHBondContact O-CG 3.26Å; T451-L453 VanDerWaalsContact C-N 3.34Å

Retrieved 453 of 453 residues in 3660.6 ms (Link to these results)

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