A0A5K4FC97_SCHMA Loading...

Rhomboid domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 197 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
1M64.7Low77.5Confident94 Ų94102.2 Ų102.246%0.46351%0.506SS..  0-50.50-158.8169.375.900114.1Y37 G59 A60M1-Y37 HydrophobicContact SD-CE1 3.73Å; M1-G59 VanDerWaalsContact CA-C 3.46Å; M1-G59 WeakPolarHBondContact CA-O 3.31Å; M1-G59 PolarHBondContact N-O 3.35Å; M1-G59 CarbonylContact O-C 3.59Å; M1-G59 VanDerWaalsContact O-C 3.24Å; M1-G59 VanDerWaalsContact O-CA 3.28Å; M1-G59 WeakPolarHBondContact O-CA 3.27Å; M1-A60 HydrophobicContact CG-CB 4.37Å; M1-A60 PolarHBondContact O-N 2.64Å
2F70.7Confident78.3Confident182 Ų18296.2 Ų96.280%0.79848%0.475SS*.  trans-93.1-4.9-172.1-59.2-68.2000116.5
3I71.4Confident79.2Confident114 Ų11489.3 Ų89.359%0.58544%0.441SS*.  trans-88.9137.2178.6-53.5171.1000109C58 G59I3-C58 HydrophobicContact CB-CB 4.08Å; I3-C58 HydrophobicContact CG2-CB 3.84Å; I3-C58 WeakPolarHBondContact CG2-SG 3.35Å; I3-C58 CarbonylContact O-C 3.28Å; I3-C58 VanDerWaalsContact O-C 3.28Å; I3-G59 WeakPolarHBondContact O-CA 3.41Å; I3-G59 PolarHBondContact O-N 2.8Å; I3-G59 VanDerWaalsContact O-N 3.1Å
4H71.7Confident80.1Confident83 Ų8386.6 Ų86.638%0.38444%0.435SS..  trans-132.2150.518057.237.2000111.9L10H4-L10 HydrophobicContact CB-CB 4.19Å; H4-L10 HydrophobicContact CB-CD1 4.47Å; H4-L10 VanDerWaalsContact CD2-CD2 3.47Å; H4-L10 WeakPolarHBondContact CD2-CD2 3.26Å
5Y72.7Confident81Confident86 Ų8686.7 Ų86.734%0.33744%0.436SS..SBendtrans-9992.1172.8-174.2-102.9000110.4H9 L56 E125 I127Y5-H9 VanDerWaalsContact O-CB 3.23Å; Y5-H9 WeakPolarHBondContact O-CB 3.32Å; Y5-L56 HydrophobicContact CD2-CD2 4.37Å; Y5-E125 WeakPolarHBondContact OH-CG 3.43Å; Y5-E125 PolarHBondContact OH-OE1 2.72Å; Y5-I127 HydrophobicContact CD2-CB 4.45Å; Y5-I127 HydrophobicContact CD2-CG2 3.49Å; Y5-I127 VanDerWaalsContact CD2-CG2 3.49Å; Y5-I127 HydrophobicContact CE2-CB 3.9Å; Y5-I127 HydrophobicContact CE2-CD1 4.42Å; Y5-I127 HydrophobicContact CE2-CG2 3.41Å; Y5-I127 VanDerWaalsContact CE2-CG2 3.41Å; Y5-I127 HydrophobicContact CG-CG2 4.21Å
6G80.5Confident81.7Confident41 Ų4181.4 Ų81.442%0.42341%0.41SS..Hα-helixtrans80.3161.217800000115.6L10G6-L10 PolarHBondContact O-N 3.45Å
7Y84.3Confident82.5Confident190 Ų19080.2 Ų80.275%0.74540%0.402SS*.Hα-helixtrans-66.4-39.3-176.1-67.5-72.5000113H9 L10 V11Y7-H9 PolarHBondContact O-N 3.19Å; Y7-L10 PolarHBondContact O-N 2.92Å; Y7-V11 WeakPolarHBondContact O-CG2 3.23Å; Y7-V11 PolarHBondContact O-N 3Å
8N82.3Confident83.2Confident147 Ų14781.4 Ų81.479%0.78641%0.409SS*.Hα-helixtrans-61.7-45.2-179.7-68.9-19.7000111.6L10 V11 F12N8-L10 PolarHBondContact O-N 2.91Å; N8-V11 PolarHBondContact O-N 2.88Å; N8-F12 WeakPolarHBondContact O-CB 3.43Å; N8-F12 PolarHBondContact O-N 3.45Å
9H80.7Confident83.8Confident25 Ų2579.8 Ų79.812%0.11640%0.404CS..Hα-helixtrans-67.3-36.1178.3-175.7-117.1000112.2Y5 Y7 N13Y5-H9 VanDerWaalsContact O-CB 3.23Å; Y5-H9 WeakPolarHBondContact O-CB 3.32Å; Y7-H9 PolarHBondContact O-N 3.19Å; H9-N13 PolarHBondContact CE1-ND2 3.37Å; H9-N13 PolarHBondContact ND1-ND2 3.15Å; H9-N13 PolarHBondContact NE2-ND2 3.23Å; H9-N13 VanDerWaalsContact NE2-ND2 3.14Å; H9-N13 WeakPolarHBondContact O-CB 3.5Å; H9-N13 PolarHBondContact O-N 2.63Å; H9-N13 PolarHBondContact O-ND2 3.21Å
10L85.3Confident84.5Confident63 Ų6375.9 Ų75.933%0.3338%0.384SS..Hα-helixtrans-62-53.1172.7176.960.5000111.2H4 G6 Y7 N8 F12 N13 C14H4-L10 HydrophobicContact CB-CB 4.19Å; H4-L10 HydrophobicContact CB-CD1 4.47Å; H4-L10 VanDerWaalsContact CD2-CD2 3.47Å; H4-L10 WeakPolarHBondContact CD2-CD2 3.26Å; G6-L10 PolarHBondContact O-N 3.45Å; Y7-L10 PolarHBondContact O-N 2.92Å; N8-L10 PolarHBondContact O-N 2.91Å; L10-F12 VanDerWaalsContact C-N 3.26Å; L10-F12 PolarHBondContact O-N 3.03Å; L10-N13 PolarHBondContact O-N 3.49Å; L10-C14 PolarHBondContact O-N 2.95Å; L10-C14 PolarHBondContact O-SG 2.79Å
11V88.5Confident85.1Confident99 Ų9972.5 Ų72.560%0.637%0.369SS*.Hα-helixtrans-58.6-42.7-178170.40000110.4Y7 N8 C14 L15Y7-V11 WeakPolarHBondContact O-CG2 3.23Å; Y7-V11 PolarHBondContact O-N 3Å; N8-V11 PolarHBondContact O-N 2.88Å; V11-C14 PolarHBondContact O-N 3.32Å; V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 PolarHBondContact O-N 3.26Å
12F87.4Confident86.6Confident30 Ų3072.6 Ų72.613%0.13237%0.37CS..Hα-helixtrans-63.4-46.7177.7-166.3-86.2000112.3N8 L10 C14 L15 V16 L107 D111N8-F12 WeakPolarHBondContact O-CB 3.43Å; N8-F12 PolarHBondContact O-N 3.45Å; L10-F12 VanDerWaalsContact C-N 3.26Å; L10-F12 PolarHBondContact O-N 3.03Å; F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.21Å; F12-L15 PolarHBondContact O-N 3.43Å; F12-V16 HydrophobicContact CD1-CG2 3.82Å; F12-V16 HydrophobicContact CE1-CG2 3.26Å; F12-V16 HydrophobicContact CZ-CG2 3.77Å; F12-V16 WeakPolarHBondContact O-CG2 3.22Å; F12-V16 PolarHBondContact O-N 3.46Å; F12-L107 VanDerWaalsContact CZ-O 3.27Å; F12-L107 WeakPolarHBondContact CZ-O 3.41Å; F12-D111 HydrophobicContact CD1-CB 3.98Å; F12-D111 WeakPolarHBondContact CD1-OD1 3.15Å; F12-D111 HydrophobicContact CE1-CB 3.3Å; F12-D111 VanDerWaalsContact CE1-OD1 3.28Å; F12-D111 WeakPolarHBondContact CE1-OD1 3.33Å; F12-D111 HydrophobicContact CZ-CB 3.65Å
13N89.8Confident87.8Confident7 Ų764.9 Ų64.94%0.03734%0.337CS..Hα-helixtrans-59.6-43.2175.9-80.9-53.9000112.2H9 L10 V16 Q17 S61 C64H9-N13 PolarHBondContact CE1-ND2 3.37Å; H9-N13 PolarHBondContact ND1-ND2 3.15Å; H9-N13 PolarHBondContact NE2-ND2 3.23Å; H9-N13 VanDerWaalsContact NE2-ND2 3.14Å; H9-N13 WeakPolarHBondContact O-CB 3.5Å; H9-N13 PolarHBondContact O-N 2.63Å; H9-N13 PolarHBondContact O-ND2 3.21Å; L10-N13 PolarHBondContact O-N 3.49Å; N13-V16 PolarHBondContact O-N 3.1Å; N13-Q17 WeakPolarHBondContact O-CB 3.44Å; N13-Q17 VanDerWaalsContact O-CG 3.25Å; N13-Q17 WeakPolarHBondContact O-CG 3.5Å; N13-Q17 PolarHBondContact O-N 3.29Å; N13-S61 WeakPolarHBondContact OD1-CA 3.25Å; N13-C64 PolarHBondContact OD1-SG 3.39Å
14C92.1Very high89.1Confident52 Ų5259.5 Ų59.535%0.35131%0.31SS..Hα-helixtrans-64-42.9175.9-70.60000111.9L10 V11 F12 Q17 I18L10-C14 PolarHBondContact O-N 2.95Å; L10-C14 PolarHBondContact O-SG 2.79Å; V11-C14 PolarHBondContact O-N 3.32Å; F12-C14 VanDerWaalsContact C-N 3.34Å; F12-C14 PolarHBondContact O-N 3.21Å; C14-Q17 PolarHBondContact O-N 3.22Å; C14-I18 WeakPolarHBondContact O-CB 3.34Å; C14-I18 VanDerWaalsContact O-CG1 3.25Å; C14-I18 WeakPolarHBondContact O-CG1 3.08Å; C14-I18 PolarHBondContact O-N 3.12Å
15L92.5Very high90.3Very high87 Ų8759.1 Ų59.146%0.45531%0.308SS..Hα-helixtrans-60.3-47.9177.1-178.969000111.1V11 F12 Q17 I18 V19V11-L15 WeakPolarHBondContact O-CB 3.29Å; V11-L15 PolarHBondContact O-N 3.26Å; F12-L15 PolarHBondContact O-N 3.43Å; L15-Q17 PolarHBondContact O-N 3.3Å; L15-I18 PolarHBondContact O-N 2.72Å; L15-V19 HydrophobicContact CD1-CG2 4.05Å; L15-V19 HydrophobicContact CG-CG2 4.42Å; L15-V19 WeakPolarHBondContact O-CB 3.27Å; L15-V19 VanDerWaalsContact O-CG2 3.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.42Å; L15-V19 PolarHBondContact O-N 3.05Å
16V92.8Very high91.3Very high2 Ų261.6 Ų61.61%0.01233%0.326CS..Hα-helixtrans-62.2-43.9178.1173.20000111.3F12 N13 L20 C64 L107F12-V16 HydrophobicContact CD1-CG2 3.82Å; F12-V16 HydrophobicContact CE1-CG2 3.26Å; F12-V16 HydrophobicContact CZ-CG2 3.77Å; F12-V16 WeakPolarHBondContact O-CG2 3.22Å; F12-V16 PolarHBondContact O-N 3.46Å; N13-V16 PolarHBondContact O-N 3.1Å; V16-L20 HydrophobicContact CG1-CD1 3.69Å; V16-L20 HydrophobicContact CG1-CG 4.13Å; V16-L20 VanDerWaalsContact O-CB 3.27Å; V16-L20 WeakPolarHBondContact O-CB 3.25Å; V16-L20 PolarHBondContact O-N 3.45Å; V16-C64 HydrophobicContact CB-CB 4.41Å; V16-C64 HydrophobicContact CG1-CB 3.84Å; V16-L107 HydrophobicContact CG2-CB 4.37Å; V16-L107 HydrophobicContact CG2-CD1 4.49Å
17Q94.5Very high91.9Very high61 Ų6161.8 Ų61.829%0.28532%0.319SS..Iπ-helixtrans-61.8-44.9176.7-75.3169.929.500112.3N13 C14 L15 G21 Y37 A60 L67N13-Q17 WeakPolarHBondContact O-CB 3.44Å; N13-Q17 VanDerWaalsContact O-CG 3.25Å; N13-Q17 WeakPolarHBondContact O-CG 3.5Å; N13-Q17 PolarHBondContact O-N 3.29Å; C14-Q17 PolarHBondContact O-N 3.22Å; L15-Q17 PolarHBondContact O-N 3.3Å; Q17-G21 WeakPolarHBondContact O-CA 3.33Å; Q17-G21 PolarHBondContact O-N 3.27Å; Q17-Y37 HydrophobicContact CG-CE2 4.04Å; Q17-Y37 PolarHBondContact NE2-OH 3.08Å; Q17-Y37 VanDerWaalsContact NE2-OH 3.09Å; Q17-A60 VanDerWaalsContact NE2-CB 3.3Å; Q17-L67 HydrophobicContact CG-CD1 4.47Å
18I95.5Very high92.5Very high103 Ų10352.8 Ų52.853%0.52828%0.284SS..Iπ-helixtrans-65.3-50.8179.4-69.6167.2000109.7C14 L15 L22C14-I18 WeakPolarHBondContact O-CB 3.34Å; C14-I18 VanDerWaalsContact O-CG1 3.25Å; C14-I18 WeakPolarHBondContact O-CG1 3.08Å; C14-I18 PolarHBondContact O-N 3.12Å; L15-I18 PolarHBondContact O-N 2.72Å; I18-L22 HydrophobicContact CG2-CD1 3.83Å; I18-L22 WeakPolarHBondContact O-CB 3.35Å; I18-L22 WeakPolarHBondContact O-CD1 3.4Å; I18-L22 WeakPolarHBondContact O-CG 3.02Å; I18-L22 PolarHBondContact O-N 3.42Å; I18-L22 VanDerWaalsContact O-N 3.15Å
19V95.5Very high93.2Very high51 Ų5150.8 Ų50.831%0.30927%0.268SS..Iπ-helixtrans-68.9-56.2-175.3176.30000111.3L15 L23 I103 L107L15-V19 HydrophobicContact CD1-CG2 4.05Å; L15-V19 HydrophobicContact CG-CG2 4.42Å; L15-V19 WeakPolarHBondContact O-CB 3.27Å; L15-V19 VanDerWaalsContact O-CG2 3.31Å; L15-V19 WeakPolarHBondContact O-CG2 3.42Å; L15-V19 PolarHBondContact O-N 3.05Å; V19-L23 HydrophobicContact CG1-CD1 4.31Å; V19-L23 WeakPolarHBondContact O-CB 3.14Å; V19-L23 WeakPolarHBondContact O-CD1 3.21Å; V19-L23 WeakPolarHBondContact O-CG 3.42Å; V19-L23 PolarHBondContact O-N 3.21Å; V19-I103 HydrophobicContact CG1-CG2 4.36Å; V19-L107 HydrophobicContact CB-CD1 4.47Å; V19-L107 HydrophobicContact CG1-CD1 4.2Å
20L97.3Very high94Very high0 Ų056.5 Ų56.50%029%0.293CS..Iπ-helixtrans-76.1-39.2-175.5-60.9-171.1000112.2V16 L24 L67 I68 H71 I103 I104 L107V16-L20 HydrophobicContact CG1-CD1 3.69Å; V16-L20 HydrophobicContact CG1-CG 4.13Å; V16-L20 VanDerWaalsContact O-CB 3.27Å; V16-L20 WeakPolarHBondContact O-CB 3.25Å; V16-L20 PolarHBondContact O-N 3.45Å; L20-L24 PolarHBondContact O-N 3.37Å; L20-L67 HydrophobicContact CB-CB 4.05Å; L20-L67 HydrophobicContact CB-CD1 4.44Å; L20-L67 HydrophobicContact CD1-CB 4.4Å; L20-I68 HydrophobicContact CD1-CB 4.43Å; L20-I68 HydrophobicContact CD1-CD1 4.48Å; L20-I68 HydrophobicContact CD1-CG1 3.43Å; L20-I68 VanDerWaalsContact CD1-CG1 3.43Å; L20-H71 WeakPolarHBondContact CA-NE2 3.12Å; L20-H71 WeakPolarHBondContact CB-NE2 3.4Å; L20-H71 PolarHBondContact O-NE2 2.69Å; L20-I103 HydrophobicContact CD2-CG2 3.77Å; L20-I104 HydrophobicContact CD1-CG2 4.38Å; L20-I104 HydrophobicContact CD2-CG2 4.1Å; L20-L107 HydrophobicContact CD1-CD1 4.39Å; L20-L107 HydrophobicContact CD2-CD1 3.91Å; L20-L107 HydrophobicContact CG-CD1 3.99Å
21G97.6Very high94.6Very high6 Ų659.1 Ų59.16%0.06230%0.299CS..Iπ-helixtrans-59.2-56.1176.700000110.7Q17 L23 L24 E25Q17-G21 WeakPolarHBondContact O-CA 3.33Å; Q17-G21 PolarHBondContact O-N 3.27Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 2.75Å; G21-L24 PolarHBondContact O-N 2.76Å; G21-L24 VanDerWaalsContact O-N 3.1Å; G21-E25 WeakPolarHBondContact O-CB 3.43Å; G21-E25 VanDerWaalsContact O-CG 3.25Å; G21-E25 WeakPolarHBondContact O-CG 3.44Å; G21-E25 PolarHBondContact O-N 3.31Å
22L96.1Very high95.1Very high95 Ų9557.9 Ų57.950%0.49728%0.283SS..Hα-helixtrans-59.2-43-178.9-68175.3000112.4I18 L24 E25 L26I18-L22 HydrophobicContact CG2-CD1 3.83Å; I18-L22 WeakPolarHBondContact O-CB 3.35Å; I18-L22 WeakPolarHBondContact O-CD1 3.4Å; I18-L22 WeakPolarHBondContact O-CG 3.02Å; I18-L22 PolarHBondContact O-N 3.42Å; I18-L22 VanDerWaalsContact O-N 3.15Å; L22-L24 VanDerWaalsContact C-N 3.31Å; L22-L24 PolarHBondContact O-N 3.48Å; L22-E25 PolarHBondContact O-N 3.35Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.41Å; L22-L26 PolarHBondContact O-N 3.27Å
23L95.3Very high95.6Very high20 Ų2056.7 Ų56.711%0.10528%0.278CS..Hα-helixtrans-60.5-39.4177.6-73.2175.5000112.4V19 G21 I94 I103V19-L23 HydrophobicContact CG1-CD1 4.31Å; V19-L23 WeakPolarHBondContact O-CB 3.14Å; V19-L23 WeakPolarHBondContact O-CD1 3.21Å; V19-L23 WeakPolarHBondContact O-CG 3.42Å; V19-L23 PolarHBondContact O-N 3.21Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 2.75Å; L23-I94 HydrophobicContact CD2-CD1 4.34Å; L23-I94 HydrophobicContact CD2-CG1 4.32Å; L23-I94 HydrophobicContact CD2-CG2 4.41Å; L23-I103 HydrophobicContact CD1-CD1 4.38Å
24L97.7Very high96Very high1 Ų158 Ų581%0.00529%0.294CS..Hα-helixtrans-71.4-40173.6-78.3166.2000112.2L20 G21 L22 L26 V27 H28 V33 L67 A70 H71 L149L20-L24 PolarHBondContact O-N 3.37Å; G21-L24 PolarHBondContact O-N 2.76Å; G21-L24 VanDerWaalsContact O-N 3.1Å; L22-L24 VanDerWaalsContact C-N 3.31Å; L22-L24 PolarHBondContact O-N 3.48Å; L24-L26 PolarHBondContact O-N 3.07Å; L24-V27 CarbonylContact O-C 3.22Å; L24-V27 PolarHBondContact O-N 3.49Å; L24-V27 VanDerWaalsContact O-N 3.15Å; L24-H28 WeakPolarHBondContact O-CB 3.38Å; L24-H28 PolarHBondContact O-CD2 3.21Å; L24-H28 VanDerWaalsContact O-CD2 3.28Å; L24-H28 PolarHBondContact O-N 3.16Å; L24-V33 HydrophobicContact CB-CG1 4.09Å; L24-V33 HydrophobicContact CB-CG2 3.65Å; L24-V33 HydrophobicContact CD1-CG1 4.43Å; L24-L67 HydrophobicContact CD1-CB 4.36Å; L24-L67 HydrophobicContact CD1-CD2 3.93Å; L24-A70 HydrophobicContact CD1-CB 3.97Å; L24-H71 WeakPolarHBondContact CD1-CD2 3.35Å; L24-H71 WeakPolarHBondContact CG-NE2 3.48Å; L24-L149 HydrophobicContact CD2-CD1 3.79Å
25E97.5Very high96.3Very high75 Ų7559.2 Ų59.235%0.3530%0.297SS..Hα-helixtrans-66.7-39-175.7-71.3-172165.100112.6G21 L22 V27 H28 K29 F30 V33G21-E25 WeakPolarHBondContact O-CB 3.43Å; G21-E25 VanDerWaalsContact O-CG 3.25Å; G21-E25 WeakPolarHBondContact O-CG 3.44Å; G21-E25 PolarHBondContact O-N 3.31Å; L22-E25 PolarHBondContact O-N 3.35Å; E25-V27 PolarHBondContact O-N 3.25Å; E25-H28 PolarHBondContact O-N 2.82Å; E25-K29 WeakPolarHBondContact O-CA 3.21Å; E25-K29 PolarHBondContact O-N 3.39Å; E25-F30 HydrophobicContact CG-CB 4.33Å; E25-V33 HydrophobicContact CG-CB 3.87Å; E25-V33 HydrophobicContact CG-CG1 4.07Å; E25-V33 HydrophobicContact CG-CG2 3.81Å
26L94.3Very high96.6Very high138 Ų13855.1 Ų55.172%0.72328%0.275SS*.Hα-helixtrans-55.3-34.6173.5-70.8170.5000111.6L22 L24L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.41Å; L22-L26 PolarHBondContact O-N 3.27Å; L24-L26 PolarHBondContact O-N 3.07Å
27V93.2Very high96.8Very high45 Ų4556.7 Ų56.727%0.27328%0.281SS..Hα-helixtrans-104-18.1-174.9-173.80000113.5L24 E25 R150L24-V27 CarbonylContact O-C 3.22Å; L24-V27 PolarHBondContact O-N 3.49Å; L24-V27 VanDerWaalsContact O-N 3.15Å; E25-V27 PolarHBondContact O-N 3.25Å; V27-R150 PolarHBondContact O-NE 2.87Å; V27-R150 PolarHBondContact O-NH2 2.85Å
28H96.5Very high96.9Very high1 Ų158.1 Ų58.11%0.00529%0.29CS..Hα-helixtrans-129.6-2.3-174.6-55.6-67.5000115L24 E25 R32 V33 T74 L149 R150L24-H28 WeakPolarHBondContact O-CB 3.38Å; L24-H28 PolarHBondContact O-CD2 3.21Å; L24-H28 VanDerWaalsContact O-CD2 3.28Å; L24-H28 PolarHBondContact O-N 3.16Å; E25-H28 PolarHBondContact O-N 2.82Å; H28-R32 VanDerWaalsContact O-CD 3.25Å; H28-R32 WeakPolarHBondContact O-CD 3.38Å; H28-V33 HydrophobicContact CB-CG2 4.28Å; H28-T74 WeakPolarHBondContact NE2-CG2 3.24Å; H28-T74 PolarHBondContact NE2-OG1 3.18Å; H28-L149 HydrophobicContact CB-CB 4.44Å; H28-L149 HydrophobicContact CB-CD2 3.78Å; H28-R150 PolarHBondContact CE1-O 2.99Å; H28-R150 VanDerWaalsContact CE1-O 3.3Å; H28-R150 PolarHBondContact ND1-N 2.96Å; H28-R150 VanDerWaalsContact ND1-N 3.1Å; H28-R150 PolarHBondContact ND1-O 3.31Å
29K97.2Very high97Very high106 Ų10655.8 Ų55.846%0.46128%0.278SS..  trans72.4142.8-173.2-45.7175.7176.4-173.60112.6E25 W31 R32 V33E25-K29 WeakPolarHBondContact O-CA 3.21Å; E25-K29 PolarHBondContact O-N 3.39Å; K29-W31 VanDerWaalsContact C-N 3.34Å; K29-W31 PolarHBondContact O-N 3.45Å; K29-R32 PolarHBondContact O-N 3.09Å; K29-V33 PolarHBondContact O-N 2.73Å
30F97.6Very high97.1Very high145 Ų14553.3 Ų53.364%0.63626%0.264SS*.Hα-helixtrans-51.4-44.4-17679.1-84.8000114.2E25 R32 V33 G34E25-F30 HydrophobicContact CG-CB 4.33Å; F30-R32 VanDerWaalsContact C-N 3.33Å; F30-R32 PolarHBondContact O-N 3.46Å; F30-V33 PolarHBondContact O-N 3.03Å; F30-G34 PolarHBondContact O-N 3.36Å
31W98.1Very high97.1Very high118 Ų11854.1 Ų54.145%0.44727%0.268SS..Hα-helixtrans-67.6-31.6-174.168.8-95.9000113.2K29 L35K29-W31 VanDerWaalsContact C-N 3.34Å; K29-W31 PolarHBondContact O-N 3.45Å; W31-L35 HydrophobicContact CE3-CD1 3.8Å; W31-L35 HydrophobicContact CZ3-CD1 3.95Å; W31-L35 VanDerWaalsContact O-CG 3.29Å; W31-L35 WeakPolarHBondContact O-CG 3.43Å; W31-L35 PolarHBondContact O-N 3Å; W31-L35 VanDerWaalsContact O-N 3.08Å
32R98.6Very high96.9Very high73 Ų7357.6 Ų57.628%0.27529%0.285SS..Hα-helixtrans-70.5-43.3176.3-69.4-174.6177.8-119.61.5110.6H28 K29 F30 L35 V36 I148 L149H28-R32 VanDerWaalsContact O-CD 3.25Å; H28-R32 WeakPolarHBondContact O-CD 3.38Å; K29-R32 PolarHBondContact O-N 3.09Å; F30-R32 VanDerWaalsContact C-N 3.33Å; F30-R32 PolarHBondContact O-N 3.46Å; R32-L35 PolarHBondContact O-N 3.37Å; R32-V36 WeakPolarHBondContact O-CG2 3.39Å; R32-V36 PolarHBondContact O-N 3Å; R32-I148 HydrophobicContact CB-CG2 4.05Å; R32-I148 VanDerWaalsContact CD-O 3.27Å; R32-I148 WeakPolarHBondContact CD-O 3.43Å; R32-I148 HydrophobicContact CG-CG2 4.3Å; R32-I148 PolarHBondContact NH1-O 2.8Å; R32-L149 HydrophobicContact CB-CD2 4.14Å
33V98.5Very high96.9Very high4 Ų453.2 Ų53.22%0.02426%0.262CS..Hα-helixtrans-65.8-44.6177.4-176.50000110.6L24 E25 H28 K29 F30 L35 V36 Y37 L67 L149L24-V33 HydrophobicContact CB-CG1 4.09Å; L24-V33 HydrophobicContact CB-CG2 3.65Å; L24-V33 HydrophobicContact CD1-CG1 4.43Å; E25-V33 HydrophobicContact CG-CB 3.87Å; E25-V33 HydrophobicContact CG-CG1 4.07Å; E25-V33 HydrophobicContact CG-CG2 3.81Å; H28-V33 HydrophobicContact CB-CG2 4.28Å; K29-V33 PolarHBondContact O-N 2.73Å; F30-V33 PolarHBondContact O-N 3.03Å; V33-L35 VanDerWaalsContact C-N 3.34Å; V33-L35 PolarHBondContact O-N 3.33Å; V33-V36 PolarHBondContact O-N 3.18Å; V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.83Å; V33-L67 HydrophobicContact CG1-CD2 3.57Å; V33-L149 HydrophobicContact CG2-CD2 4.39Å
34G97.6Very high96.9Very high36 Ų3652.2 Ų52.237%0.37126%0.257SS..Hα-helixtrans-59.6-39.7176.300000113.3F30 Y37 L38F30-G34 PolarHBondContact O-N 3.36Å; G34-Y37 PolarHBondContact O-N 2.74Å; G34-L38 WeakPolarHBondContact O-CB 3.4Å; G34-L38 PolarHBondContact O-N 3.28Å
35L98.3Very high96.6Very high77 Ų7754.5 Ų54.540%0.40327%0.273SS..Hα-helixtrans-63.3-47.1173.7-76.1174.7000112.1W31 R32 V33 Y37 L38 L39 I148W31-L35 HydrophobicContact CE3-CD1 3.8Å; W31-L35 HydrophobicContact CZ3-CD1 3.95Å; W31-L35 VanDerWaalsContact O-CG 3.29Å; W31-L35 WeakPolarHBondContact O-CG 3.43Å; W31-L35 PolarHBondContact O-N 3Å; W31-L35 VanDerWaalsContact O-N 3.08Å; R32-L35 PolarHBondContact O-N 3.37Å; V33-L35 VanDerWaalsContact C-N 3.34Å; V33-L35 PolarHBondContact O-N 3.33Å; L35-Y37 VanDerWaalsContact C-N 3.32Å; L35-Y37 PolarHBondContact O-N 3.1Å; L35-L38 PolarHBondContact O-N 3.05Å; L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.31Å; L35-L39 PolarHBondContact O-N 3.31Å; L35-I148 HydrophobicContact CB-CD1 4.42Å; L35-I148 HydrophobicContact CB-CG2 4.49Å
36V98.7Very high96.4Very high1 Ų152.5 Ų52.51%0.00626%0.264CS..Hα-helixtrans-61.6-42.9177.6174.70000110.8R32 V33 G40 A70 L144 I148 L149R32-V36 WeakPolarHBondContact O-CG2 3.39Å; R32-V36 PolarHBondContact O-N 3Å; V33-V36 PolarHBondContact O-N 3.18Å; V36-G40 PolarHBondContact O-N 2.92Å; V36-A70 HydrophobicContact CG1-CB 3.87Å; V36-L144 HydrophobicContact CG2-CB 4.3Å; V36-I148 HydrophobicContact CG2-CB 3.93Å; V36-I148 HydrophobicContact CG2-CD1 4.06Å; V36-I148 HydrophobicContact CG2-CG1 4.49Å; V36-I148 HydrophobicContact CG2-CG2 4.1Å; V36-L149 HydrophobicContact CG2-CD2 4.27Å
37Y97.9Very high96.3Very high34 Ų3446.4 Ų46.413%0.13323%0.234CC..Hα-helixtrans-62.1-49.6177.9178-88.2000112M1 Q17 V33 G34 L35 G40 V41 A60 G63 L67M1-Y37 HydrophobicContact SD-CE1 3.73Å; Q17-Y37 HydrophobicContact CG-CE2 4.04Å; Q17-Y37 PolarHBondContact NE2-OH 3.08Å; Q17-Y37 VanDerWaalsContact NE2-OH 3.09Å; V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.83Å; G34-Y37 PolarHBondContact O-N 2.74Å; L35-Y37 VanDerWaalsContact C-N 3.32Å; L35-Y37 PolarHBondContact O-N 3.1Å; Y37-G40 WeakPolarHBondContact O-CA 3.39Å; Y37-G40 PolarHBondContact O-N 3.32Å; Y37-V41 HydrophobicContact CD1-CG2 4.39Å; Y37-V41 HydrophobicContact CE1-CG2 4.01Å; Y37-V41 WeakPolarHBondContact O-CG2 3.25Å; Y37-V41 PolarHBondContact O-N 3.16Å; Y37-A60 WeakPolarHBondContact OH-CB 3.19Å; Y37-G63 VanDerWaalsContact CD2-C 3.42Å; Y37-G63 WeakPolarHBondContact CD2-O 3.24Å; Y37-G63 VanDerWaalsContact CE2-C 3.42Å; Y37-G63 VanDerWaalsContact CE2-CA 3.48Å; Y37-L67 HydrophobicContact CD2-CD1 4.05Å; Y37-L67 HydrophobicContact CD2-CD2 4.39Å; Y37-L67 HydrophobicContact CD2-CG 4.05Å
38L96.8Very high96.2Very high92 Ų9244.3 Ų44.348%0.48222%0.221SC..Hα-helixtrans-63.8-46.8-178.8-179.463.5000111.7G34 L35 G40 V41 I42G34-L38 WeakPolarHBondContact O-CB 3.4Å; G34-L38 PolarHBondContact O-N 3.28Å; L35-L38 PolarHBondContact O-N 3.05Å; L38-G40 PolarHBondContact O-N 2.87Å; L38-V41 PolarHBondContact O-N 3.21Å; L38-I42 HydrophobicContact CG-CD1 4.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.16Å; L38-I42 PolarHBondContact O-N 3.4Å; L38-I42 VanDerWaalsContact O-N 3.09Å
39L97.7Very high95.9Very high53 Ų5345.1 Ų45.128%0.27723%0.227SC..Hα-helixtrans-64-32.2175.8-69172.3000111.6L35 I42 S43 L144 I148L35-L39 WeakPolarHBondContact O-CB 3.37Å; L35-L39 VanDerWaalsContact O-CG 3.31Å; L35-L39 WeakPolarHBondContact O-CG 3.31Å; L35-L39 PolarHBondContact O-N 3.31Å; L39-I42 PolarHBondContact O-N 3.37Å; L39-S43 VanDerWaalsContact O-CB 3.27Å; L39-S43 WeakPolarHBondContact O-CB 3.45Å; L39-S43 PolarHBondContact O-N 2.77Å; L39-S43 PolarHBondContact O-OG 3.08Å; L39-L144 HydrophobicContact CB-CD1 3.4Å; L39-L144 HydrophobicContact CD1-CD1 3.7Å; L39-L144 HydrophobicContact CD1-CD2 4.35Å; L39-L144 HydrophobicContact CG-CD1 4.18Å; L39-I148 HydrophobicContact CD1-CD1 4.05Å
40G97.6Very high95.5Very high0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-61-47.1171.200000113.6V36 Y37 L38 I42 S43 G44V36-G40 PolarHBondContact O-N 2.92Å; Y37-G40 WeakPolarHBondContact O-CA 3.39Å; Y37-G40 PolarHBondContact O-N 3.32Å; L38-G40 PolarHBondContact O-N 2.87Å; G40-I42 VanDerWaalsContact C-N 3.34Å; G40-I42 PolarHBondContact O-N 3.34Å; G40-S43 PolarHBondContact O-N 2.93Å; G40-G44 PolarHBondContact O-N 3.47Å
41V95.3Very high95.1Very high16 Ų1640.2 Ų40.210%0.09722%0.218CC..Hα-helixtrans-59.6-45.5174.7174.20000110.9Y37 L38 S45Y37-V41 HydrophobicContact CD1-CG2 4.39Å; Y37-V41 HydrophobicContact CE1-CG2 4.01Å; Y37-V41 WeakPolarHBondContact O-CG2 3.25Å; Y37-V41 PolarHBondContact O-N 3.16Å; L38-V41 PolarHBondContact O-N 3.21Å; V41-S45 WeakPolarHBondContact O-CB 3.41Å; V41-S45 PolarHBondContact O-N 3.18Å; V41-S45 PolarHBondContact O-OG 3.46Å
42I94.9Very high94.2Very high80 Ų8037.1 Ų37.141%0.4121%0.21SC..Hα-helixtrans-62.5-46.6177.7-65.7166.6000110.4L38 L39 G40 S45 L46L38-I42 HydrophobicContact CG-CD1 4.31Å; L38-I42 WeakPolarHBondContact O-CG1 3.16Å; L38-I42 PolarHBondContact O-N 3.4Å; L38-I42 VanDerWaalsContact O-N 3.09Å; L39-I42 PolarHBondContact O-N 3.37Å; G40-I42 VanDerWaalsContact C-N 3.34Å; G40-I42 PolarHBondContact O-N 3.34Å; I42-S45 WeakPolarHBondContact O-CB 3.31Å; I42-S45 PolarHBondContact O-N 3.44Å; I42-L46 HydrophobicContact CG2-CD1 4.02Å; I42-L46 HydrophobicContact CG2-CG 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.14Å; I42-L46 PolarHBondContact O-N 3.02Å
43S96.1Very high92.9Very high2 Ų235 Ų351%0.01421%0.206CC..Hα-helixtrans-66.6-40.3-178.1-57.20000112.5L39 G40 S45 L46 A47 A140 F169L39-S43 VanDerWaalsContact O-CB 3.27Å; L39-S43 WeakPolarHBondContact O-CB 3.45Å; L39-S43 PolarHBondContact O-N 2.77Å; L39-S43 PolarHBondContact O-OG 3.08Å; G40-S43 PolarHBondContact O-N 2.93Å; S43-S45 VanDerWaalsContact C-N 3.3Å; S43-S45 PolarHBondContact O-N 3.41Å; S43-L46 PolarHBondContact O-N 3.47Å; S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.99Å; S43-A140 WeakPolarHBondContact OG-CB 3.4Å; S43-F169 WeakPolarHBondContact OG-CE2 3.41Å
44G94.1Very high91.5Very high0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-61.4-40.9172.700000111.7G40 A47 S48 A133G40-G44 PolarHBondContact O-N 3.47Å; G44-A47 PolarHBondContact O-N 3.43Å; G44-S48 WeakPolarHBondContact O-CB 3.49Å; G44-S48 PolarHBondContact O-N 3.5Å; G44-A133 WeakPolarHBondContact CA-O 3.28Å; G44-A133 WeakPolarHBondContact O-CA 3.4Å
45S92.1Very high90Very high49 Ų4940 Ų4034%0.34322%0.219SC..Hα-helixtrans-64.8-43.8176.1-53.20000111.7V41 I42 S43 S48 S49V41-S45 WeakPolarHBondContact O-CB 3.41Å; V41-S45 PolarHBondContact O-N 3.18Å; V41-S45 PolarHBondContact O-OG 3.46Å; I42-S45 WeakPolarHBondContact O-CB 3.31Å; I42-S45 PolarHBondContact O-N 3.44Å; S43-S45 VanDerWaalsContact C-N 3.3Å; S43-S45 PolarHBondContact O-N 3.41Å; S45-S48 PolarHBondContact O-N 3.23Å; S45-S49 WeakPolarHBondContact O-CB 3.46Å; S45-S49 PolarHBondContact O-N 3.08Å
46L93.1Very high88.4Confident33 Ų3338.6 Ų38.617%0.17321%0.212CC..Hα-helixtrans-62.2-45.8175.4-73.9171.7000111.7I42 S43 S48 S49 V50 F172 T176 I177I42-L46 HydrophobicContact CG2-CD1 4.02Å; I42-L46 HydrophobicContact CG2-CG 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.14Å; I42-L46 PolarHBondContact O-N 3.02Å; S43-L46 PolarHBondContact O-N 3.47Å; L46-S48 PolarHBondContact O-N 3.39Å; L46-S49 PolarHBondContact O-N 2.96Å; L46-S49 PolarHBondContact O-OG 2.87Å; L46-V50 WeakPolarHBondContact O-CG2 3.25Å; L46-V50 PolarHBondContact O-N 2.95Å; L46-F172 HydrophobicContact CB-CZ 4.3Å; L46-T176 HydrophobicContact CB-CG2 4.43Å; L46-I177 HydrophobicContact CD1-CG1 4.46Å; L46-I177 HydrophobicContact CD2-CG1 4.16Å
47A93.4Very high86.6Confident10 Ų1041.8 Ų41.88%0.08323%0.231CC..Hα-helixtrans-59.1-48.1176.700000111.5S43 G44 S49 V50 T51 S132 F172S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.99Å; G44-A47 PolarHBondContact O-N 3.43Å; A47-S49 VanDerWaalsContact C-N 3.33Å; A47-S49 PolarHBondContact O-N 3.21Å; A47-V50 PolarHBondContact O-N 3.28Å; A47-T51 PolarHBondContact O-N 3.14Å; A47-T51 PolarHBondContact O-OG1 2.77Å; A47-S132 PolarHBondContact O-OG 3.34Å; A47-F172 HydrophobicContact CB-CE2 4.32Å; A47-F172 HydrophobicContact CB-CZ 4.12Å
48S90.8Very high84.9Confident0 Ų041.5 Ų41.50%023%0.234CC..Hα-helixtrans-64.6-37.6179.6-154.10000112.4G44 S45 L46 V50 T51 D52 S53 S55 V57 S132G44-S48 WeakPolarHBondContact O-CB 3.49Å; G44-S48 PolarHBondContact O-N 3.5Å; S45-S48 PolarHBondContact O-N 3.23Å; L46-S48 PolarHBondContact O-N 3.39Å; S48-V50 PolarHBondContact O-N 3.33Å; S48-T51 PolarHBondContact O-N 3.45Å; S48-D52 CarbonylContact O-C 3.05Å; S48-D52 WeakPolarHBondContact O-CA 3.44Å; S48-D52 PolarHBondContact O-N 3.38Å; S48-D52 PolarHBondContact OG-O 3.37Å; S48-D52 VanDerWaalsContact OG-O 3.08Å; S48-S53 PolarHBondContact O-N 3.34Å; S48-S53 VanDerWaalsContact O-N 3.15Å; S48-S55 PolarHBondContact OG-OG 2.95Å; S48-V57 VanDerWaalsContact CB-CG2 3.44Å; S48-V57 WeakPolarHBondContact OG-CG2 3.2Å; S48-S132 PolarHBondContact N-OG 3.4Å
49S89Confident83.4Confident19 Ų1937.7 Ų37.713%0.13322%0.217CC..Hα-helixtrans-59.7-28.9178.171.70000113.1S45 L46 A47 S53 N180S45-S49 WeakPolarHBondContact O-CB 3.46Å; S45-S49 PolarHBondContact O-N 3.08Å; L46-S49 PolarHBondContact O-N 2.96Å; L46-S49 PolarHBondContact O-OG 2.87Å; A47-S49 VanDerWaalsContact C-N 3.33Å; A47-S49 PolarHBondContact O-N 3.21Å; S49-S53 PolarHBondContact O-OG 3.15Å; S49-N180 PolarHBondContact OG-ND2 3.35Å; S49-N180 PolarHBondContact OG-OD1 2.95Å
50V89.7Confident82.7Confident48 Ų4835.7 Ų35.729%0.29121%0.208SC..Hα-helixtrans-93-35.5-178-179.60000112.3L46 A47 S48 T176 F179L46-V50 WeakPolarHBondContact O-CG2 3.25Å; L46-V50 PolarHBondContact O-N 2.95Å; A47-V50 PolarHBondContact O-N 3.28Å; S48-V50 PolarHBondContact O-N 3.33Å; V50-T176 HydrophobicContact CG2-CG2 3.95Å; V50-F179 HydrophobicContact CB-CD1 4.21Å; V50-F179 HydrophobicContact CB-CE1 4.32Å; V50-F179 HydrophobicContact CG1-CD1 4.06Å; V50-F179 HydrophobicContact CG1-CD2 4.36Å; V50-F179 HydrophobicContact CG1-CE1 4.11Å; V50-F179 HydrophobicContact CG1-CE2 4.42Å; V50-F179 HydrophobicContact CG1-CG 4.17Å; V50-F179 HydrophobicContact CG1-CZ 4.29Å; V50-F179 HydrophobicContact CG2-CB 4.29Å; V50-F179 HydrophobicContact CG2-CD1 3.6Å; V50-F179 HydrophobicContact CG2-CE1 4.17Å; V50-F179 HydrophobicContact CG2-CG 4.07Å
51T88.6Confident82.4Confident99 Ų9936.1 Ų36.161%0.60721%0.211SC*.Hα-helixtrans-114.2-23.3-169.370.90000115.1A47 S48 S132A47-T51 PolarHBondContact O-N 3.14Å; A47-T51 PolarHBondContact O-OG1 2.77Å; S48-T51 PolarHBondContact O-N 3.45Å; T51-S132 WeakPolarHBondContact OG1-CB 3.45Å; T51-S132 PolarHBondContact OG1-OG 3.5Å
52D80.4Confident82.3Confident54 Ų5435.7 Ų35.729%0.28921%0.209SC..  trans-149.557.2-172.4-165.17.2000110.6S48 F54 S55S48-D52 CarbonylContact O-C 3.05Å; S48-D52 WeakPolarHBondContact O-CA 3.44Å; S48-D52 PolarHBondContact O-N 3.38Å; S48-D52 PolarHBondContact OG-O 3.37Å; S48-D52 VanDerWaalsContact OG-O 3.08Å; D52-F54 PolarHBondContact O-N 3.3Å; D52-S55 PolarHBondContact O-N 3.44Å; D52-S55 PolarHBondContact O-OG 3.28Å; D52-S55 WeakPolarHBondContact OD1-CB 3.46Å; D52-S55 VanDerWaalsContact OD2-CB 3.26Å; D52-S55 WeakPolarHBondContact OD2-CB 3.49Å; D52-S55 PolarHBondContact OD2-OG 2.98Å
53S70.2Confident82.3Confident27 Ų2731.9 Ų31.919%0.18919%0.19CC..THydrogen-bonded Turntrans-68.7-21.3-171-46.60000113.7S48 S49S48-S53 PolarHBondContact O-N 3.34Å; S48-S53 VanDerWaalsContact O-N 3.15Å; S49-S53 PolarHBondContact O-OG 3.15Å
54F68.6Low82.3Confident132 Ų13231.9 Ų31.958%0.57919%0.19SC*.THydrogen-bonded Turntrans-91.9-7.5179.5-53-67.4000112.8D52 P190 I196D52-F54 PolarHBondContact O-N 3.3Å; F54-P190 HydrophobicContact CE2-CB 4.21Å; F54-P190 HydrophobicContact CZ-CB 3.86Å; F54-I196 HydrophobicContact CD1-CD1 4.11Å; F54-I196 HydrophobicContact CE1-CD1 3.42Å; F54-I196 VanDerWaalsContact CE1-CD1 3.42Å; F54-I196 HydrophobicContact CE1-CG1 4.43Å; F54-I196 HydrophobicContact CZ-CD1 4.06Å
55S67.7Low82.4Confident13 Ų1332.8 Ų32.89%0.09119%0.194CC..SBendtrans-80151.2171.972.50000111.2S48 D52 V57 G130S48-S55 PolarHBondContact OG-OG 2.95Å; D52-S55 PolarHBondContact O-N 3.44Å; D52-S55 PolarHBondContact O-OG 3.28Å; D52-S55 WeakPolarHBondContact OD1-CB 3.46Å; D52-S55 VanDerWaalsContact OD2-CB 3.26Å; D52-S55 WeakPolarHBondContact OD2-CB 3.49Å; D52-S55 PolarHBondContact OD2-OG 2.98Å; S55-V57 PolarHBondContact O-N 2.93Å; S55-V57 VanDerWaalsContact O-N 3.11Å; S55-G130 VanDerWaalsContact OG-CA 3.27Å; S55-G130 WeakPolarHBondContact OG-CA 3.37Å
56L63.7Low82.7Confident49 Ų4930.5 Ų30.526%0.25718%0.177SC..BIsolated β-bridgetrans-79104.2-176.5-166.4110.1000109.2Y5 C58 I127 R128Y5-L56 HydrophobicContact CD2-CD2 4.37Å; L56-C58 HydrophobicContact CD2-CB 3.39Å; L56-C58 WeakPolarHBondContact CD2-SG 3.4Å; L56-C58 HydrophobicContact CG-CB 4.06Å; L56-C58 WeakPolarHBondContact CG-SG 3.32Å; L56-C58 PolarHBondContact O-N 3.02Å; L56-I127 HydrophobicContact CB-CG2 3.75Å; L56-I127 HydrophobicContact CD1-CB 4.46Å; L56-I127 HydrophobicContact CD1-CD1 4.13Å; L56-I127 HydrophobicContact CD1-CG1 4.09Å; L56-I127 HydrophobicContact CD1-CG2 3.63Å; L56-I127 HydrophobicContact CD2-CG2 3.67Å; L56-I127 HydrophobicContact CG-CG2 3.88Å; L56-R128 PolarHBondContact N-O 3.48Å; L56-R128 VanDerWaalsContact N-O 3.07Å
57V61.1Low83Confident68 Ų6829.1 Ų29.141%0.41217%0.17SC..  trans-81.965167.9-168.10000109S48 S55 A133S48-V57 VanDerWaalsContact CB-CG2 3.44Å; S48-V57 WeakPolarHBondContact OG-CG2 3.2Å; S55-V57 PolarHBondContact O-N 2.93Å; S55-V57 VanDerWaalsContact O-N 3.11Å; V57-A133 HydrophobicContact CG1-CB 4.37Å
58C61.9Low83.2Confident27 Ų2729.2 Ų29.218%0.18217%0.169CC..  trans-93.4118.5169.8-75.20000110.5I3 L56I3-C58 HydrophobicContact CB-CB 4.08Å; I3-C58 HydrophobicContact CG2-CB 3.84Å; I3-C58 WeakPolarHBondContact CG2-SG 3.35Å; I3-C58 CarbonylContact O-C 3.28Å; I3-C58 VanDerWaalsContact O-C 3.28Å; L56-C58 HydrophobicContact CD2-CB 3.39Å; L56-C58 WeakPolarHBondContact CD2-SG 3.4Å; L56-C58 HydrophobicContact CG-CB 4.06Å; L56-C58 WeakPolarHBondContact CG-SG 3.32Å; L56-C58 PolarHBondContact O-N 3.02Å
59G65.3Low83.6Confident12 Ų1229.2 Ų29.212%0.12417%0.169CC..SBendtrans108.9-147.6152.100000116.1M1 I3M1-G59 VanDerWaalsContact CA-C 3.46Å; M1-G59 WeakPolarHBondContact CA-O 3.31Å; M1-G59 PolarHBondContact N-O 3.35Å; M1-G59 CarbonylContact O-C 3.59Å; M1-G59 VanDerWaalsContact O-C 3.24Å; M1-G59 VanDerWaalsContact O-CA 3.28Å; M1-G59 WeakPolarHBondContact O-CA 3.27Å; I3-G59 WeakPolarHBondContact O-CA 3.41Å; I3-G59 PolarHBondContact O-N 2.8Å; I3-G59 VanDerWaalsContact O-N 3.1Å
60A83.8Confident84Confident11 Ų1128.3 Ų28.39%0.09116%0.163CC..SBendtrans-99-7.8-166.300000113.6M1 Q17 Y37 G62 G63 C64M1-A60 HydrophobicContact CG-CB 4.37Å; M1-A60 PolarHBondContact O-N 2.64Å; Q17-A60 VanDerWaalsContact NE2-CB 3.3Å; Y37-A60 WeakPolarHBondContact OH-CB 3.19Å; A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 2.9Å; A60-G63 VanDerWaalsContact O-CA 3.32Å; A60-G63 WeakPolarHBondContact O-CA 3.26Å; A60-G63 PolarHBondContact O-N 3.29Å; A60-C64 PolarHBondContact O-N 2.88Å; A60-C64 VanDerWaalsContact O-N 3.08Å
61S90.7Very high84.5Confident10 Ų1026 Ų267%0.0715%0.149CC..Hα-helixtrans-62.4-35.3-166.962.40000113.5N13 G63 C64 Y65 H134N13-S61 WeakPolarHBondContact OD1-CA 3.25Å; S61-G63 PolarHBondContact O-N 3.15Å; S61-C64 WeakPolarHBondContact O-CA 3.45Å; S61-C64 WeakPolarHBondContact O-CB 3.36Å; S61-C64 PolarHBondContact O-N 2.98Å; S61-Y65 WeakPolarHBondContact O-CD2 3.07Å; S61-Y65 PolarHBondContact O-N 3.13Å; S61-H134 VanDerWaalsContact CB-NE2 3.27Å; S61-H134 WeakPolarHBondContact CB-NE2 3.22Å; S61-H134 PolarHBondContact OG-CD2 2.72Å; S61-H134 VanDerWaalsContact OG-CD2 3.31Å; S61-H134 PolarHBondContact OG-NE2 3.16Å
62G93.5Very high84.9Confident6 Ų623.7 Ų23.76%0.06213%0.133CC..Hα-helixtrans-55.9-35.617100000112.7A60 A66 G137A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 PolarHBondContact O-N 2.9Å; G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 3.1Å; G62-G137 VanDerWaalsContact O-CA 3.27Å; G62-G137 WeakPolarHBondContact O-CA 3.22Å
63G95.7Very high85.8Confident0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-72.2-40.5171.600000112.9Y37 A60 S61 Y65 A66 L67Y37-G63 VanDerWaalsContact CD2-C 3.42Å; Y37-G63 WeakPolarHBondContact CD2-O 3.24Å; Y37-G63 VanDerWaalsContact CE2-C 3.42Å; Y37-G63 VanDerWaalsContact CE2-CA 3.48Å; A60-G63 VanDerWaalsContact O-CA 3.32Å; A60-G63 WeakPolarHBondContact O-CA 3.26Å; A60-G63 PolarHBondContact O-N 3.29Å; S61-G63 PolarHBondContact O-N 3.15Å; G63-Y65 PolarHBondContact O-N 3.19Å; G63-A66 CarbonylContact O-C 3.59Å; G63-A66 WeakPolarHBondContact O-CA 3.44Å; G63-A66 WeakPolarHBondContact O-CB 3.27Å; G63-A66 PolarHBondContact O-N 2.86Å; G63-A66 VanDerWaalsContact O-N 3.12Å; G63-L67 WeakPolarHBondContact O-CG 3.41Å; G63-L67 PolarHBondContact O-N 3.49Å
64C95.5Very high87.1Confident3 Ų320.1 Ų20.12%0.0211%0.112CC..Hα-helixtrans-58.7-46174.8-61.70000111.9N13 V16 A60 S61 A66 L67 I68N13-C64 PolarHBondContact OD1-SG 3.39Å; V16-C64 HydrophobicContact CB-CB 4.41Å; V16-C64 HydrophobicContact CG1-CB 3.84Å; A60-C64 PolarHBondContact O-N 2.88Å; A60-C64 VanDerWaalsContact O-N 3.08Å; S61-C64 WeakPolarHBondContact O-CA 3.45Å; S61-C64 WeakPolarHBondContact O-CB 3.36Å; S61-C64 PolarHBondContact O-N 2.98Å; C64-A66 VanDerWaalsContact C-N 3.31Å; C64-A66 PolarHBondContact O-N 2.85Å; C64-L67 WeakPolarHBondContact O-CB 3.47Å; C64-L67 PolarHBondContact O-N 3.46Å; C64-L67 VanDerWaalsContact O-N 3.15Å; C64-I68 PolarHBondContact O-N 2.88Å; C64-I68 VanDerWaalsContact O-N 3.1Å
65Y96.6Very high88.5Confident19 Ų1914.2 Ų14.28%0.0759%0.087CC..Hα-helixtrans-68.7-31174.9-84.1-101.5000112.1S61 G63 L67 I68 G69 D111 T112 H134 F138S61-Y65 WeakPolarHBondContact O-CD2 3.07Å; S61-Y65 PolarHBondContact O-N 3.13Å; G63-Y65 PolarHBondContact O-N 3.19Å; Y65-L67 VanDerWaalsContact C-N 3.31Å; Y65-L67 PolarHBondContact O-N 3.33Å; Y65-I68 HydrophobicContact CD1-CD1 4.31Å; Y65-I68 HydrophobicContact CG-CD1 4.41Å; Y65-I68 WeakPolarHBondContact O-CB 3.39Å; Y65-I68 PolarHBondContact O-N 3.15Å; Y65-G69 PolarHBondContact O-N 2.93Å; Y65-D111 VanDerWaalsContact CE2-OD2 3.24Å; Y65-D111 WeakPolarHBondContact CE2-OD2 3.47Å; Y65-D111 PolarHBondContact OH-OD2 3.47Å; Y65-D111 VanDerWaalsContact OH-OD2 3.04Å; Y65-T112 PolarHBondContact OH-OG1 2.9Å; Y65-H134 WeakPolarHBondContact CB-O 3Å; Y65-H134 HydrophobicContact CD1-CB 3.9Å; Y65-H134 HydrophobicContact CD2-CB 3.79Å; Y65-H134 AromaticContact CD2-CG 3.69Å; Y65-H134 AromaticContact CD2-ND1 3.87Å; Y65-H134 HydrophobicContact CE1-CB 3.82Å; Y65-H134 HydrophobicContact CE2-CB 3.72Å; Y65-H134 AromaticContact CE2-CE1 3.57Å; Y65-H134 AromaticContact CE2-CG 3.35Å; Y65-H134 AromaticContact CE2-ND1 3.05Å; Y65-H134 WeakPolarHBondContact CE2-ND1 3.3Å; Y65-H134 HydrophobicContact CG-CB 3.86Å; Y65-H134 AromaticContact CZ-CG 3.67Å; Y65-H134 AromaticContact CZ-ND1 3.22Å; Y65-H134 PolarHBondContact OH-ND1 3.33Å; Y65-H134 VanDerWaalsContact OH-ND1 3.11Å; Y65-F138 HydrophobicContact CD1-CB 4.2Å; Y65-F138 WeakPolarHBondContact O-CA 2.85Å
66A98.3Very high89.9Confident0 Ų017.2 Ų17.20%010%0.101CC..Hα-helixtrans-63.5-36.1169.800000112.6G62 G63 C64 G69 A70 G137 G141G62-A66 WeakPolarHBondContact O-CB 3.36Å; G62-A66 PolarHBondContact O-N 3.1Å; G63-A66 CarbonylContact O-C 3.59Å; G63-A66 WeakPolarHBondContact O-CA 3.44Å; G63-A66 WeakPolarHBondContact O-CB 3.27Å; G63-A66 PolarHBondContact O-N 2.86Å; G63-A66 VanDerWaalsContact O-N 3.12Å; C64-A66 VanDerWaalsContact C-N 3.31Å; C64-A66 PolarHBondContact O-N 2.85Å; A66-G69 PolarHBondContact O-N 2.97Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.07Å; A66-G137 WeakPolarHBondContact CA-O 3.4Å; A66-G137 WeakPolarHBondContact CB-O 3.14Å; A66-G137 PolarHBondContact N-O 3.34Å; A66-G141 VanDerWaalsContact O-CA 3.24Å; A66-G141 WeakPolarHBondContact O-CA 3.48Å
67L98.4Very high91.5Very high4 Ų415.5 Ų15.52%0.0219%0.092CC..Hα-helixtrans-64.1-42.1171.3-61.6175.2000111.4Q17 L20 L24 V33 Y37 G63 C64 Y65 G69 A70 H71Q17-L67 HydrophobicContact CG-CD1 4.47Å; L20-L67 HydrophobicContact CB-CB 4.05Å; L20-L67 HydrophobicContact CB-CD1 4.44Å; L20-L67 HydrophobicContact CD1-CB 4.4Å; L24-L67 HydrophobicContact CD1-CB 4.36Å; L24-L67 HydrophobicContact CD1-CD2 3.93Å; V33-L67 HydrophobicContact CG1-CD2 3.57Å; Y37-L67 HydrophobicContact CD2-CD1 4.05Å; Y37-L67 HydrophobicContact CD2-CD2 4.39Å; Y37-L67 HydrophobicContact CD2-CG 4.05Å; G63-L67 WeakPolarHBondContact O-CG 3.41Å; G63-L67 PolarHBondContact O-N 3.49Å; C64-L67 WeakPolarHBondContact O-CB 3.47Å; C64-L67 PolarHBondContact O-N 3.46Å; C64-L67 VanDerWaalsContact O-N 3.15Å; Y65-L67 VanDerWaalsContact C-N 3.31Å; Y65-L67 PolarHBondContact O-N 3.33Å; L67-G69 PolarHBondContact O-N 3.16Å; L67-A70 PolarHBondContact O-N 3.49Å; L67-H71 PolarHBondContact O-CD2 3.25Å; L67-H71 VanDerWaalsContact O-CD2 3.25Å; L67-H71 PolarHBondContact O-N 3.24Å
68I98.2Very high93.1Very high12 Ų1212.7 Ų12.76%0.0627%0.074CC..Hα-helixtrans-57.6-49.5174.3-68.7169.1000111L20 C64 Y65 A70 H71 L72 I104 F138L20-I68 HydrophobicContact CD1-CB 4.43Å; L20-I68 HydrophobicContact CD1-CD1 4.48Å; L20-I68 HydrophobicContact CD1-CG1 3.43Å; L20-I68 VanDerWaalsContact CD1-CG1 3.43Å; C64-I68 PolarHBondContact O-N 2.88Å; C64-I68 VanDerWaalsContact O-N 3.1Å; Y65-I68 HydrophobicContact CD1-CD1 4.31Å; Y65-I68 HydrophobicContact CG-CD1 4.41Å; Y65-I68 WeakPolarHBondContact O-CB 3.39Å; Y65-I68 PolarHBondContact O-N 3.15Å; I68-A70 VanDerWaalsContact C-N 3.32Å; I68-A70 PolarHBondContact O-N 3.47Å; I68-H71 WeakPolarHBondContact O-CB 3.27Å; I68-H71 PolarHBondContact O-N 3.2Å; I68-L72 PolarHBondContact O-N 3.4Å; I68-I104 HydrophobicContact CG2-CB 4.12Å; I68-F138 HydrophobicContact CB-CD2 4.45Å; I68-F138 HydrophobicContact CG2-CD2 3.86Å; I68-F138 HydrophobicContact CG2-CE2 3.95Å
69G98.6Very high94.8Very high0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-61.2-40.3176.500000112.5Y65 A66 L67 H71 L72 A73 G141 L142Y65-G69 PolarHBondContact O-N 2.93Å; A66-G69 PolarHBondContact O-N 2.97Å; L67-G69 PolarHBondContact O-N 3.16Å; G69-H71 PolarHBondContact O-N 3.11Å; G69-L72 WeakPolarHBondContact O-CB 3.36Å; G69-L72 PolarHBondContact O-N 2.66Å; G69-A73 PolarHBondContact O-N 3.24Å; G69-G141 VanDerWaalsContact C-C 3.5Å; G69-G141 CarbonylContact C-O 3.52Å; G69-L142 WeakPolarHBondContact O-CA 3.33Å
70A98.7Very high96.2Very high1 Ų121.6 Ų21.61%0.00811%0.109CC..Hα-helixtrans-67.9-34.8178.900000112.8L24 V36 A66 L67 I68 A73 T74 G141 L149L24-A70 HydrophobicContact CD1-CB 3.97Å; V36-A70 HydrophobicContact CG1-CB 3.87Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.07Å; L67-A70 PolarHBondContact O-N 3.49Å; I68-A70 VanDerWaalsContact C-N 3.32Å; I68-A70 PolarHBondContact O-N 3.47Å; A70-A73 WeakPolarHBondContact O-CB 3.46Å; A70-T74 PolarHBondContact O-N 3.38Å; A70-T74 PolarHBondContact O-OG1 2.86Å; A70-G141 WeakPolarHBondContact CA-O 3.2Å; A70-G141 PolarHBondContact N-O 3.31Å; A70-L149 HydrophobicContact CB-CD1 4.02Å
71H98.5Very high96.7Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-61.5-49.3168.7-93.1-97.5000111.1L20 L24 L67 I68 G69 A73 T74 V75 R100 I104L20-H71 WeakPolarHBondContact CA-NE2 3.12Å; L20-H71 WeakPolarHBondContact CB-NE2 3.4Å; L20-H71 PolarHBondContact O-NE2 2.69Å; L24-H71 WeakPolarHBondContact CD1-CD2 3.35Å; L24-H71 WeakPolarHBondContact CG-NE2 3.48Å; L67-H71 PolarHBondContact O-CD2 3.25Å; L67-H71 VanDerWaalsContact O-CD2 3.25Å; L67-H71 PolarHBondContact O-N 3.24Å; I68-H71 WeakPolarHBondContact O-CB 3.27Å; I68-H71 PolarHBondContact O-N 3.2Å; G69-H71 PolarHBondContact O-N 3.11Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.43Å; H71-T74 WeakPolarHBondContact O-CB 3.36Å; H71-T74 PolarHBondContact O-N 2.94Å; H71-T74 VanDerWaalsContact O-N 3.11Å; H71-V75 WeakPolarHBondContact O-CG2 3.42Å; H71-V75 PolarHBondContact O-N 3.32Å; H71-R100 PolarHBondContact CE1-NE 2.89Å; H71-R100 PolarHBondContact CE1-NH2 3.22Å; H71-R100 PolarHBondContact ND1-NE 3.02Å; H71-R100 VanDerWaalsContact ND1-NE 3.13Å; H71-R100 PolarHBondContact ND1-NH2 3.49Å; H71-I104 HydrophobicContact CB-CG2 3.57Å
72L98.5Very high97Very high49 Ų4924.8 Ų24.826%0.25712%0.123SC..Hα-helixtrans-58.8-44.3176.9179.360.4000111.5I68 G69 T74 V75 I76 I104 F138 L142I68-L72 PolarHBondContact O-N 3.4Å; G69-L72 WeakPolarHBondContact O-CB 3.36Å; G69-L72 PolarHBondContact O-N 2.66Å; L72-T74 VanDerWaalsContact C-N 3.32Å; L72-T74 PolarHBondContact O-N 2.96Å; L72-V75 PolarHBondContact O-N 2.89Å; L72-I76 HydrophobicContact CD1-CD1 4.07Å; L72-I76 HydrophobicContact CD1-CG1 4.3Å; L72-I76 HydrophobicContact CG-CD1 3.9Å; L72-I76 WeakPolarHBondContact O-CG1 3.5Å; L72-I76 PolarHBondContact O-N 3.47Å; L72-I104 HydrophobicContact CB-CD1 4.1Å; L72-F138 HydrophobicContact CD2-CE2 4.17Å; L72-F138 HydrophobicContact CD2-CZ 3.75Å; L72-L142 HydrophobicContact CB-CD1 4.32Å; L72-L142 HydrophobicContact CD2-CD1 4.14Å; L72-L142 HydrophobicContact CD2-CD2 4.48Å; L72-L142 HydrophobicContact CG-CD1 4.04Å
73A98.4Very high97.2Very high1 Ų126.3 Ų26.31%0.00813%0.128CC..Hα-helixtrans-55.5-47.5173.200000111.7G69 A70 H71 V75 I76 M77 L142 V146G69-A73 PolarHBondContact O-N 3.24Å; A70-A73 WeakPolarHBondContact O-CB 3.46Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.43Å; A73-V75 VanDerWaalsContact C-N 3.32Å; A73-V75 PolarHBondContact O-N 3.25Å; A73-I76 PolarHBondContact O-N 3.09Å; A73-M77 WeakPolarHBondContact O-CB 3.4Å; A73-M77 WeakPolarHBondContact O-CG 3.38Å; A73-M77 PolarHBondContact O-N 3.34Å; A73-L142 HydrophobicContact CB-CD1 4.02Å; A73-L142 WeakPolarHBondContact CB-O 3.34Å; A73-V146 HydrophobicContact CB-CG2 3.84Å
74T97.9Very high97.2Very high6 Ų633.4 Ų33.44%0.03716%0.162CC..Hα-helixtrans-61.5-42.3179.6-52.90000111.6H28 A70 H71 L72 M77 N78 M82 R100 L149H28-T74 WeakPolarHBondContact NE2-CG2 3.24Å; H28-T74 PolarHBondContact NE2-OG1 3.18Å; A70-T74 PolarHBondContact O-N 3.38Å; A70-T74 PolarHBondContact O-OG1 2.86Å; H71-T74 WeakPolarHBondContact O-CB 3.36Å; H71-T74 PolarHBondContact O-N 2.94Å; H71-T74 VanDerWaalsContact O-N 3.11Å; L72-T74 VanDerWaalsContact C-N 3.32Å; L72-T74 PolarHBondContact O-N 2.96Å; T74-M77 PolarHBondContact O-N 2.79Å; T74-N78 WeakPolarHBondContact O-CB 3.47Å; T74-N78 PolarHBondContact O-N 3.24Å; T74-N78 PolarHBondContact O-ND2 3.43Å; T74-N78 VanDerWaalsContact O-ND2 3.08Å; T74-M82 HydrophobicContact CG2-SD 4.23Å; T74-R100 VanDerWaalsContact CB-NH1 3.28Å; T74-L149 WeakPolarHBondContact OG1-CD1 3.18Å
75V97.9Very high97.2Very high7 Ų734.5 Ų34.54%0.04217%0.173CC..Hα-helixtrans-61.7-45.8177.2172.50000110.8H71 L72 A73 W79 M82 R100H71-V75 WeakPolarHBondContact O-CG2 3.42Å; H71-V75 PolarHBondContact O-N 3.32Å; L72-V75 PolarHBondContact O-N 2.89Å; A73-V75 VanDerWaalsContact C-N 3.32Å; A73-V75 PolarHBondContact O-N 3.25Å; V75-W79 HydrophobicContact CG1-CE3 3.63Å; V75-W79 HydrophobicContact CG1-CZ3 3.8Å; V75-W79 WeakPolarHBondContact O-CA 3.41Å; V75-W79 WeakPolarHBondContact O-CB 3.33Å; V75-W79 PolarHBondContact O-N 2.83Å; V75-W79 VanDerWaalsContact O-N 3.14Å; V75-M82 HydrophobicContact CG2-CE 4.07Å; V75-R100 HydrophobicContact CG2-CB 4.14Å
76I96.9Very high97.3Very high77 Ų7736.8 Ų36.840%0.39518%0.181SC..Hα-helixtrans-62.5-46.5178.7-69.2166.1000110.9L72 A73 L142L72-I76 HydrophobicContact CD1-CD1 4.07Å; L72-I76 HydrophobicContact CD1-CG1 4.3Å; L72-I76 HydrophobicContact CG-CD1 3.9Å; L72-I76 WeakPolarHBondContact O-CG1 3.5Å; L72-I76 PolarHBondContact O-N 3.47Å; A73-I76 PolarHBondContact O-N 3.09Å; I76-L142 HydrophobicContact CD1-CD1 4.15Å
77M96.7Very high97.3Very high12 Ų1242.6 Ų42.66%0.05921%0.212CC..Hα-helixtrans-79.8-17.6-172.6-61.8-61.7-66.200114A73 T74 V146 W157 E158 F161A73-M77 WeakPolarHBondContact O-CB 3.4Å; A73-M77 WeakPolarHBondContact O-CG 3.38Å; A73-M77 PolarHBondContact O-N 3.34Å; T74-M77 PolarHBondContact O-N 2.79Å; M77-V146 HydrophobicContact CE-CG1 4.09Å; M77-V146 HydrophobicContact CG-CG1 4.47Å; M77-V146 HydrophobicContact CG-CG2 4.06Å; M77-V146 HydrophobicContact SD-CG1 3.96Å; M77-V146 HydrophobicContact SD-CG2 4.17Å; M77-W157 HydrophobicContact SD-CH2 4.14Å; M77-E158 HydrophobicContact CE-CB 3.7Å; M77-E158 HydrophobicContact CE-CG 3.57Å; M77-E158 WeakPolarHBondContact CE-OE1 3.2Å; M77-E158 HydrophobicContact SD-CG 4.45Å; M77-F161 HydrophobicContact CE-CD1 4.44Å; M77-F161 HydrophobicContact SD-CD1 3.64Å; M77-F161 HydrophobicContact SD-CE1 3.79Å
78N96.3Very high97.2Very high9 Ų950.2 Ų50.25%0.04825%0.245CC..THydrogen-bonded Turntrans-132.822.7-173.4-55.7-96.6000112.6T74 D80 I81 M82 L152T74-N78 WeakPolarHBondContact O-CB 3.47Å; T74-N78 PolarHBondContact O-N 3.24Å; T74-N78 PolarHBondContact O-ND2 3.43Å; T74-N78 VanDerWaalsContact O-ND2 3.08Å; N78-D80 PolarHBondContact O-N 2.85Å; N78-I81 PolarHBondContact O-N 3.41Å; N78-M82 HydrophobicContact CB-CG 4.08Å; N78-M82 HydrophobicContact CB-SD 3.97Å; N78-M82 WeakPolarHBondContact O-CB 3.21Å; N78-M82 WeakPolarHBondContact O-CG 3.38Å; N78-M82 PolarHBondContact O-N 2.94Å; N78-L152 PolarHBondContact OD1-N 3.07Å
79W96.5Very high97.1Very high110 Ų11052.8 Ų52.842%0.41726%0.259SS..Hα-helixtrans-49.6-57.3-172.6179.8-97000112.9V75 I81 M82 Q83 V98V75-W79 HydrophobicContact CG1-CE3 3.63Å; V75-W79 HydrophobicContact CG1-CZ3 3.8Å; V75-W79 WeakPolarHBondContact O-CA 3.41Å; V75-W79 WeakPolarHBondContact O-CB 3.33Å; V75-W79 PolarHBondContact O-N 2.83Å; V75-W79 VanDerWaalsContact O-N 3.14Å; W79-I81 VanDerWaalsContact C-N 3.31Å; W79-I81 PolarHBondContact O-N 2.94Å; W79-M82 PolarHBondContact O-N 2.83Å; W79-M82 VanDerWaalsContact O-N 3.08Å; W79-Q83 HydrophobicContact CD2-CG 4.17Å; W79-Q83 HydrophobicContact CG-CG 4.49Å; W79-Q83 HydrophobicContact CZ2-CG 4.01Å; W79-Q83 WeakPolarHBondContact O-CG 3.27Å; W79-Q83 PolarHBondContact O-N 3.43Å; W79-V98 HydrophobicContact CH2-CG2 3.83Å; W79-V98 HydrophobicContact CZ2-CG2 4.43Å
80D95.4Very high97Very high116 Ų11657.9 Ų57.962%0.6229%0.292SS*.Hα-helixtrans-59.3-42.2-174.1-64.9-25.8000112.2N78 Q83 E84N78-D80 PolarHBondContact O-N 2.85Å; D80-Q83 PolarHBondContact O-N 2.68Å; D80-E84 PolarHBondContact O-N 2.81Å; D80-E84 VanDerWaalsContact O-N 3.16Å
81I94.7Very high96.7Very high62 Ų6263.8 Ų63.832%0.31832%0.323SS..Hα-helixtrans-68.7-39.2178.7-61.6172.7000110.5N78 W79 Q83 E84 L152 K153N78-I81 PolarHBondContact O-N 3.41Å; W79-I81 VanDerWaalsContact C-N 3.31Å; W79-I81 PolarHBondContact O-N 2.94Å; I81-Q83 PolarHBondContact O-N 3.41Å; I81-E84 PolarHBondContact O-N 2.85Å; I81-L152 HydrophobicContact CD1-CB 3.75Å; I81-L152 HydrophobicContact CG2-CD1 3.86Å; I81-K153 HydrophobicContact CD1-CB 3.59Å
82M95.8Very high96.5Very high27 Ų2765.8 Ų65.813%0.13334%0.337CS..Hα-helixtrans-70.4-19.9178.3-69.1173.472.800113.2T74 V75 N78 W79 S95 R100T74-M82 HydrophobicContact CG2-SD 4.23Å; V75-M82 HydrophobicContact CG2-CE 4.07Å; N78-M82 HydrophobicContact CB-CG 4.08Å; N78-M82 HydrophobicContact CB-SD 3.97Å; N78-M82 WeakPolarHBondContact O-CB 3.21Å; N78-M82 WeakPolarHBondContact O-CG 3.38Å; N78-M82 PolarHBondContact O-N 2.94Å; W79-M82 PolarHBondContact O-N 2.83Å; W79-M82 VanDerWaalsContact O-N 3.08Å; M82-S95 WeakPolarHBondContact CE-O 3.42Å; M82-R100 VanDerWaalsContact CE-CD 3.42Å; M82-R100 HydrophobicContact CE-CG 4.44Å
83Q97.4Very high96.4Very high37 Ų3768 Ų6817%0.17334%0.344CS..Hα-helixtrans-93.8-10.2173.6-58.8-51.5-36.400112.9W79 D80 I81 G85 W86 G97W79-Q83 HydrophobicContact CD2-CG 4.17Å; W79-Q83 HydrophobicContact CG-CG 4.49Å; W79-Q83 HydrophobicContact CZ2-CG 4.01Å; W79-Q83 WeakPolarHBondContact O-CG 3.27Å; W79-Q83 PolarHBondContact O-N 3.43Å; D80-Q83 PolarHBondContact O-N 2.68Å; I81-Q83 PolarHBondContact O-N 3.41Å; Q83-G85 PolarHBondContact O-N 3.42Å; Q83-W86 VanDerWaalsContact O-CD1 3.25Å; Q83-W86 PolarHBondContact O-N 2.9Å; Q83-G97 VanDerWaalsContact NE2-CA 3.34Å; Q83-G97 VanDerWaalsContact NE2-N 3.17Å
84E96.3Very high96.3Very high150 Ų15071.1 Ų71.170%0.70136%0.36SS*.THydrogen-bonded Turntrans-68.2103.4-178.6-169.1-178.3172.200111D80 I81 W86D80-E84 PolarHBondContact O-N 2.81Å; D80-E84 VanDerWaalsContact O-N 3.16Å; I81-E84 PolarHBondContact O-N 2.85Å; E84-W86 VanDerWaalsContact C-N 3.26Å; E84-W86 PolarHBondContact O-N 3.39Å
85G96.5Very high96.1Very high25 Ų2573 Ų7326%0.25837%0.373SS..THydrogen-bonded Turntrans65.527.5179.300000114.2Q83 L87 K88Q83-G85 PolarHBondContact O-N 3.42Å; G85-L87 PolarHBondContact O-N 2.96Å; G85-K88 VanDerWaalsContact O-CB 3.26Å; G85-K88 WeakPolarHBondContact O-CB 3.37Å; G85-K88 WeakPolarHBondContact O-CD 3.34Å; G85-K88 WeakPolarHBondContact O-CG 3.41Å; G85-K88 PolarHBondContact O-N 3.02Å
86W97.2Very high96.1Very high67 Ų6772.6 Ų72.625%0.25437%0.371SS..THydrogen-bonded Turntrans-60.1-18.9-174.474.2-77.8000115.2Q83 E84 S92 F93 S96 V99Q83-W86 VanDerWaalsContact O-CD1 3.25Å; Q83-W86 PolarHBondContact O-N 2.9Å; E84-W86 VanDerWaalsContact C-N 3.26Å; E84-W86 PolarHBondContact O-N 3.39Å; W86-S92 CarbonylContact O-C 3.24Å; W86-S92 VanDerWaalsContact O-C 3.22Å; W86-F93 AromaticContact CE3-CD2 3.77Å; W86-F93 HydrophobicContact CE3-CD2 3.77Å; W86-F93 HydrophobicContact CE3-CE2 4.24Å; W86-F93 HydrophobicContact CH2-CE2 4.26Å; W86-F93 AromaticContact CZ3-CD2 3.5Å; W86-F93 HydrophobicContact CZ3-CD2 3.5Å; W86-F93 AromaticContact CZ3-CE2 3.49Å; W86-F93 HydrophobicContact CZ3-CE2 3.49Å; W86-F93 VanDerWaalsContact CZ3-CE2 3.49Å; W86-F93 WeakPolarHBondContact O-CA 3.29Å; W86-F93 PolarHBondContact O-N 3.38Å; W86-S96 VanDerWaalsContact CE3-CB 3.44Å; W86-V99 HydrophobicContact CZ3-CG2 4.03Å
87L97.9Very high96.1Very high123 Ų12369 Ų6964%0.64435%0.352SS*.THydrogen-bonded Turntrans-89.70.7176.7-64.5175.9000114.3G85 F93G85-L87 PolarHBondContact O-N 2.96Å; L87-F93 HydrophobicContact CD2-CD2 4Å; L87-F93 HydrophobicContact CD2-CE2 4.32Å
88K96.9Very high96.2Very high164 Ų16470.9 Ų70.971%0.71337%0.365SS*.SBendtrans-70.3-34.4-171.7-73.2171.4-178.9171.20113.9G85G85-K88 VanDerWaalsContact O-CB 3.26Å; G85-K88 WeakPolarHBondContact O-CB 3.37Å; G85-K88 WeakPolarHBondContact O-CD 3.34Å; G85-K88 WeakPolarHBondContact O-CG 3.41Å; G85-K88 PolarHBondContact O-N 3.02Å
89D96.6Very high96.3Very high65 Ų6571.4 Ų71.435%0.34837%0.368SS..SBendtrans-155.6163.3-176.669.282.6000111L91 S92 F93D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.9Å; D89-L91 WeakPolarHBondContact OD1-CA 3.27Å; D89-L91 WeakPolarHBondContact OD1-CB 3.46Å; D89-L91 PolarHBondContact OD1-N 2.87Å; D89-S92 PolarHBondContact O-N 3.46Å; D89-S92 PolarHBondContact OD1-N 3.4Å; D89-S92 PolarHBondContact OD1-OG 2.92Å; D89-S92 WeakPolarHBondContact OD2-CB 3.37Å; D89-S92 PolarHBondContact OD2-OG 3.35Å; D89-F93 WeakPolarHBondContact O-CB 3.35Å; D89-F93 PolarHBondContact O-N 3.35Å
90P95.9Very high96.3Very high108 Ų10866.5 Ų66.570%0.70135%0.349SS*.Hα-helixtrans-60.9-31.7-176-26.135.8000115F93 I94P90-F93 PolarHBondContact O-N 3.34Å; P90-I94 PolarHBondContact O-N 2.96Å; P90-I94 VanDerWaalsContact O-N 3.07Å
91L92.9Very high96.4Very high125 Ų12562.3 Ų62.365%0.65433%0.33SS*.Hα-helixtrans-74.8-42.4-179.7-68.6173.1000110.6D89 F93 I94 S95D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.9Å; D89-L91 WeakPolarHBondContact OD1-CA 3.27Å; D89-L91 WeakPolarHBondContact OD1-CB 3.46Å; D89-L91 PolarHBondContact OD1-N 2.87Å; L91-F93 VanDerWaalsContact C-N 3.27Å; L91-F93 PolarHBondContact O-N 3.44Å; L91-I94 WeakPolarHBondContact O-CG2 3.31Å; L91-S95 WeakPolarHBondContact O-CB 3.46Å; L91-S95 PolarHBondContact O-N 3.48Å; L91-S95 PolarHBondContact O-OG 2.88Å
92S94.4Very high96.6Very high41 Ų4164 Ų6429%0.28734%0.338SS..Hα-helixtrans-60.9-38.5171.9-63.50000111.3W86 D89 S96W86-S92 CarbonylContact O-C 3.24Å; W86-S92 VanDerWaalsContact O-C 3.22Å; D89-S92 PolarHBondContact O-N 3.46Å; D89-S92 PolarHBondContact OD1-N 3.4Å; D89-S92 PolarHBondContact OD1-OG 2.92Å; D89-S92 WeakPolarHBondContact OD2-CB 3.37Å; D89-S92 PolarHBondContact OD2-OG 3.35Å; S92-S96 PolarHBondContact O-N 2.93Å; S92-S96 VanDerWaalsContact O-N 3.09Å
93F97Very high96.7Very high96 Ų9664.3 Ų64.342%0.42134%0.34SS..Hα-helixtrans-64-53.7178.2177.2-99.3000112.3W86 L87 D89 P90 L91 S95 S96 V99W86-F93 AromaticContact CE3-CD2 3.77Å; W86-F93 HydrophobicContact CE3-CD2 3.77Å; W86-F93 HydrophobicContact CE3-CE2 4.24Å; W86-F93 HydrophobicContact CH2-CE2 4.26Å; W86-F93 AromaticContact CZ3-CD2 3.5Å; W86-F93 HydrophobicContact CZ3-CD2 3.5Å; W86-F93 AromaticContact CZ3-CE2 3.49Å; W86-F93 HydrophobicContact CZ3-CE2 3.49Å; W86-F93 VanDerWaalsContact CZ3-CE2 3.49Å; W86-F93 WeakPolarHBondContact O-CA 3.29Å; W86-F93 PolarHBondContact O-N 3.38Å; L87-F93 HydrophobicContact CD2-CD2 4Å; L87-F93 HydrophobicContact CD2-CE2 4.32Å; D89-F93 WeakPolarHBondContact O-CB 3.35Å; D89-F93 PolarHBondContact O-N 3.35Å; P90-F93 PolarHBondContact O-N 3.34Å; L91-F93 VanDerWaalsContact C-N 3.27Å; L91-F93 PolarHBondContact O-N 3.44Å; F93-S95 VanDerWaalsContact C-N 3.26Å; F93-S95 PolarHBondContact O-N 3.49Å; F93-S96 WeakPolarHBondContact O-CB 3.49Å; F93-S96 PolarHBondContact O-N 3.4Å; F93-S96 VanDerWaalsContact O-N 3.16Å; F93-S96 PolarHBondContact O-OG 2.91Å; F93-V99 HydrophobicContact CD1-CG2 4.16Å; F93-V99 HydrophobicContact CD2-CG2 4.16Å; F93-V99 HydrophobicContact CE1-CG1 4.43Å; F93-V99 HydrophobicContact CE1-CG2 3.79Å; F93-V99 HydrophobicContact CE2-CG2 3.8Å; F93-V99 HydrophobicContact CG-CG2 4.34Å; F93-V99 HydrophobicContact CZ-CG2 3.59Å; F93-V99 WeakPolarHBondContact O-CB 3.42Å; F93-V99 VanDerWaalsContact O-CG2 3.31Å; F93-V99 WeakPolarHBondContact O-CG2 3.42Å
94I95.5Very high96.7Very high67 Ų6763.2 Ų63.234%0.34434%0.335SS..Hα-helixtrans-67.5-28.6-178.9-161.5167.3000112.6L23 P90 L91 S96 V99 R100 I103L23-I94 HydrophobicContact CD2-CD1 4.34Å; L23-I94 HydrophobicContact CD2-CG1 4.32Å; L23-I94 HydrophobicContact CD2-CG2 4.41Å; P90-I94 PolarHBondContact O-N 2.96Å; P90-I94 VanDerWaalsContact O-N 3.07Å; L91-I94 WeakPolarHBondContact O-CG2 3.31Å; I94-S96 VanDerWaalsContact C-N 3.3Å; I94-V99 HydrophobicContact CG1-CG1 4.45Å; I94-R100 WeakPolarHBondContact O-CG 3.23Å; I94-I103 HydrophobicContact CG1-CD1 4.18Å
95S94.4Very high96.8Very high44 Ų4461.8 Ų61.831%0.30833%0.331SS..Hα-helixtrans-82.2-7.5177.2-52.60000113.4M82 L91 F93 R100M82-S95 WeakPolarHBondContact CE-O 3.42Å; L91-S95 WeakPolarHBondContact O-CB 3.46Å; L91-S95 PolarHBondContact O-N 3.48Å; L91-S95 PolarHBondContact O-OG 2.88Å; F93-S95 VanDerWaalsContact C-N 3.26Å; F93-S95 PolarHBondContact O-N 3.49Å; S95-R100 WeakPolarHBondContact O-CD 3.37Å
96S97.1Very high96.8Very high0 Ų064.9 Ų64.90%035%0.345CS..SBendtrans-63.2152.7-178.873.10000112.5W86 S92 F93 I94 V98 V99 R100W86-S96 VanDerWaalsContact CE3-CB 3.44Å; S92-S96 PolarHBondContact O-N 2.93Å; S92-S96 VanDerWaalsContact O-N 3.09Å; F93-S96 WeakPolarHBondContact O-CB 3.49Å; F93-S96 PolarHBondContact O-N 3.4Å; F93-S96 VanDerWaalsContact O-N 3.16Å; F93-S96 PolarHBondContact O-OG 2.91Å; I94-S96 VanDerWaalsContact C-N 3.3Å; S96-V98 PolarHBondContact O-N 3.21Å; S96-V99 PolarHBondContact O-N 3.37Å; S96-V99 VanDerWaalsContact OG-CB 3.32Å; S96-V99 WeakPolarHBondContact OG-CB 3.39Å; S96-V99 VanDerWaalsContact OG-CG2 3.26Å; S96-V99 WeakPolarHBondContact OG-CG2 3.47Å; S96-V99 PolarHBondContact OG-N 3.15Å; S96-V99 VanDerWaalsContact OG-N 3.16Å; S96-R100 WeakPolarHBondContact O-CB 3.4Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.49Å; S96-R100 PolarHBondContact O-N 2.97Å
97G97.5Very high96.7Very high0 Ų062.7 Ų62.70%034%0.338CS..Hα-helixtrans-63.5-33.5179.500000112.4Q83 S101Q83-G97 VanDerWaalsContact NE2-CA 3.34Å; Q83-G97 VanDerWaalsContact NE2-N 3.17Å; G97-S101 VanDerWaalsContact O-CB 3.27Å; G97-S101 WeakPolarHBondContact O-CB 3.31Å; G97-S101 PolarHBondContact O-N 3.36Å; G97-S101 PolarHBondContact O-OG 3.09Å
98V98.1Very high96.5Very high53 Ų5357.3 Ų57.332%0.32131%0.312SS..Hα-helixtrans-68.5-53.3179.2173.20000110.1W79 S96 R100 S101 I102W79-V98 HydrophobicContact CH2-CG2 3.83Å; W79-V98 HydrophobicContact CZ2-CG2 4.43Å; S96-V98 PolarHBondContact O-N 3.21Å; V98-R100 PolarHBondContact O-N 3.4Å; V98-S101 WeakPolarHBondContact O-CB 3.25Å; V98-S101 PolarHBondContact O-N 3.48Å; V98-I102 HydrophobicContact CG1-CD1 4.04Å; V98-I102 WeakPolarHBondContact O-CG1 3.28Å; V98-I102 PolarHBondContact O-N 3.18Å
99V97.9Very high96.3Very high19 Ų1951.2 Ų51.212%0.11530%0.296CS..Hα-helixtrans-66-42.1-177.61760000111W86 F93 I94 S96 S101 I102 I103W86-V99 HydrophobicContact CZ3-CG2 4.03Å; F93-V99 HydrophobicContact CD1-CG2 4.16Å; F93-V99 HydrophobicContact CD2-CG2 4.16Å; F93-V99 HydrophobicContact CE1-CG1 4.43Å; F93-V99 HydrophobicContact CE1-CG2 3.79Å; F93-V99 HydrophobicContact CE2-CG2 3.8Å; F93-V99 HydrophobicContact CG-CG2 4.34Å; F93-V99 HydrophobicContact CZ-CG2 3.59Å; F93-V99 WeakPolarHBondContact O-CB 3.42Å; F93-V99 VanDerWaalsContact O-CG2 3.31Å; F93-V99 WeakPolarHBondContact O-CG2 3.42Å; I94-V99 HydrophobicContact CG1-CG1 4.45Å; S96-V99 PolarHBondContact O-N 3.37Å; S96-V99 VanDerWaalsContact OG-CB 3.32Å; S96-V99 WeakPolarHBondContact OG-CB 3.39Å; S96-V99 VanDerWaalsContact OG-CG2 3.26Å; S96-V99 WeakPolarHBondContact OG-CG2 3.47Å; S96-V99 PolarHBondContact OG-N 3.15Å; S96-V99 VanDerWaalsContact OG-N 3.16Å; V99-S101 VanDerWaalsContact C-N 3.3Å; V99-S101 PolarHBondContact O-N 3.37Å; V99-I102 PolarHBondContact O-N 3Å; V99-I103 HydrophobicContact CG1-CD1 3.79Å; V99-I103 HydrophobicContact CG1-CG1 4.27Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.47Å; V99-I103 PolarHBondContact O-N 3.1Å
100R97.2Very high96.1Very high7 Ų750.2 Ų50.23%0.02629%0.294CS..Hα-helixtrans-61.1-39.8175.2-69.5179.394.8-146.95.7111.9H71 T74 V75 M82 I94 S95 S96 V98 I103 I104H71-R100 PolarHBondContact CE1-NE 2.89Å; H71-R100 PolarHBondContact CE1-NH2 3.22Å; H71-R100 PolarHBondContact ND1-NE 3.02Å; H71-R100 VanDerWaalsContact ND1-NE 3.13Å; H71-R100 PolarHBondContact ND1-NH2 3.49Å; T74-R100 VanDerWaalsContact CB-NH1 3.28Å; V75-R100 HydrophobicContact CG2-CB 4.14Å; M82-R100 VanDerWaalsContact CE-CD 3.42Å; M82-R100 HydrophobicContact CE-CG 4.44Å; I94-R100 WeakPolarHBondContact O-CG 3.23Å; S95-R100 WeakPolarHBondContact O-CD 3.37Å; S96-R100 WeakPolarHBondContact O-CB 3.4Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.49Å; S96-R100 PolarHBondContact O-N 2.97Å; V98-R100 PolarHBondContact O-N 3.4Å; R100-I103 PolarHBondContact O-N 3.39Å; R100-I104 WeakPolarHBondContact O-CG1 3.21Å; R100-I104 WeakPolarHBondContact O-CG2 3.16Å; R100-I104 PolarHBondContact O-N 3.27Å
101S98.2Very high95.9Very high29 Ų2945.5 Ų45.520%0.20326%0.263CS..Hα-helixtrans-62.4-41.6175.1-60.80000112.1G97 V98 V99 I104 I105G97-S101 VanDerWaalsContact O-CB 3.27Å; G97-S101 WeakPolarHBondContact O-CB 3.31Å; G97-S101 PolarHBondContact O-N 3.36Å; G97-S101 PolarHBondContact O-OG 3.09Å; V98-S101 WeakPolarHBondContact O-CB 3.25Å; V98-S101 PolarHBondContact O-N 3.48Å; V99-S101 VanDerWaalsContact C-N 3.3Å; V99-S101 PolarHBondContact O-N 3.37Å; S101-I104 WeakPolarHBondContact O-CG1 3.4Å; S101-I105 WeakPolarHBondContact O-CB 3.41Å; S101-I105 WeakPolarHBondContact O-CD1 3.11Å; S101-I105 WeakPolarHBondContact O-CG1 3.47Å; S101-I105 PolarHBondContact O-N 2.88Å; S101-I105 VanDerWaalsContact O-N 3.1Å
102I98.3Very high95.7Very high97 Ų9741.6 Ų41.650%0.49724%0.244SC..Hα-helixtrans-64.4-47.3175.5-66.9166.3000110.7V98 V99 I104 I105 V106V98-I102 HydrophobicContact CG1-CD1 4.04Å; V98-I102 WeakPolarHBondContact O-CG1 3.28Å; V98-I102 PolarHBondContact O-N 3.18Å; V99-I102 PolarHBondContact O-N 3Å; I102-I104 VanDerWaalsContact C-N 3.34Å; I102-I104 PolarHBondContact O-N 3.26Å; I102-I105 PolarHBondContact O-N 2.85Å; I102-V106 HydrophobicContact CG2-CG2 4.22Å; I102-V106 WeakPolarHBondContact O-CG2 3.44Å; I102-V106 PolarHBondContact O-N 3.47Å
103I97.4Very high95.6Very high34 Ų3442.3 Ų42.317%0.17425%0.252CS..Hα-helixtrans-57.4-47.7179.9-69.6168.3000110.6V19 L20 L23 I94 V99 R100 I105 V106 L107V19-I103 HydrophobicContact CG1-CG2 4.36Å; L20-I103 HydrophobicContact CD2-CG2 3.77Å; L23-I103 HydrophobicContact CD1-CD1 4.38Å; I94-I103 HydrophobicContact CG1-CD1 4.18Å; V99-I103 HydrophobicContact CG1-CD1 3.79Å; V99-I103 HydrophobicContact CG1-CG1 4.27Å; V99-I103 VanDerWaalsContact O-CG1 3.31Å; V99-I103 WeakPolarHBondContact O-CG1 3.47Å; V99-I103 PolarHBondContact O-N 3.1Å; R100-I103 PolarHBondContact O-N 3.39Å; I103-I105 PolarHBondContact O-N 3.04Å; I103-V106 PolarHBondContact O-N 3.22Å; I103-L107 HydrophobicContact CG2-CD1 3.75Å; I103-L107 HydrophobicContact CG2-CG 4.3Å; I103-L107 WeakPolarHBondContact O-CB 3.32Å; I103-L107 WeakPolarHBondContact O-CG 3.36Å; I103-L107 PolarHBondContact O-N 3.22Å
104I97.5Very high95.3Very high13 Ų1342.2 Ų42.27%0.06726%0.256CS..Hα-helixtrans-67.8-34.7-179.463.9179000112.8L20 I68 H71 L72 R100 S101 I102 G108L20-I104 HydrophobicContact CD1-CG2 4.38Å; L20-I104 HydrophobicContact CD2-CG2 4.1Å; I68-I104 HydrophobicContact CG2-CB 4.12Å; H71-I104 HydrophobicContact CB-CG2 3.57Å; L72-I104 HydrophobicContact CB-CD1 4.1Å; R100-I104 WeakPolarHBondContact O-CG1 3.21Å; R100-I104 WeakPolarHBondContact O-CG2 3.16Å; R100-I104 PolarHBondContact O-N 3.27Å; S101-I104 WeakPolarHBondContact O-CG1 3.4Å; I102-I104 VanDerWaalsContact C-N 3.34Å; I102-I104 PolarHBondContact O-N 3.26Å; I104-G108 WeakPolarHBondContact O-CA 3.48Å; I104-G108 PolarHBondContact O-N 3.49Å
105I97.7Very high94.8Very high120 Ų12039.6 Ų39.662%0.61525%0.245SC*.Hα-helixtrans-66.7-44.1175.3-71.6166.8000110.2S101 I102 I103 G109S101-I105 WeakPolarHBondContact O-CB 3.41Å; S101-I105 WeakPolarHBondContact O-CD1 3.11Å; S101-I105 WeakPolarHBondContact O-CG1 3.47Å; S101-I105 PolarHBondContact O-N 2.88Å; S101-I105 VanDerWaalsContact O-N 3.1Å; I102-I105 PolarHBondContact O-N 2.85Å; I103-I105 PolarHBondContact O-N 3.04Å; I105-G109 WeakPolarHBondContact O-CA 3.36Å; I105-G109 PolarHBondContact O-N 3.08Å
106V96.9Very high94.6Very high90 Ų9041.1 Ų41.155%0.54525%0.248SC..Hα-helixtrans-66.2-49179.5170.50000111I102 I103 S110I102-V106 HydrophobicContact CG2-CG2 4.22Å; I102-V106 WeakPolarHBondContact O-CG2 3.44Å; I102-V106 PolarHBondContact O-N 3.47Å; I103-V106 PolarHBondContact O-N 3.22Å; V106-S110 WeakPolarHBondContact O-CB 3.47Å; V106-S110 PolarHBondContact O-N 2.86Å; V106-S110 PolarHBondContact O-OG 2.99Å
107L94.5Very high94.3Very high22 Ų2248.2 Ų48.212%0.11528%0.276CS..Hα-helixtrans-68-55.3180-66.8178.4000111.1F12 V16 V19 L20 I103 G109 S110 D111F12-L107 VanDerWaalsContact CZ-O 3.27Å; F12-L107 WeakPolarHBondContact CZ-O 3.41Å; V16-L107 HydrophobicContact CG2-CB 4.37Å; V16-L107 HydrophobicContact CG2-CD1 4.49Å; V19-L107 HydrophobicContact CB-CD1 4.47Å; V19-L107 HydrophobicContact CG1-CD1 4.2Å; L20-L107 HydrophobicContact CD1-CD1 4.39Å; L20-L107 HydrophobicContact CD2-CD1 3.91Å; L20-L107 HydrophobicContact CG-CD1 3.99Å; I103-L107 HydrophobicContact CG2-CD1 3.75Å; I103-L107 HydrophobicContact CG2-CG 4.3Å; I103-L107 WeakPolarHBondContact O-CB 3.32Å; I103-L107 WeakPolarHBondContact O-CG 3.36Å; I103-L107 PolarHBondContact O-N 3.22Å; L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 3.12Å; L107-S110 PolarHBondContact O-N 3.22Å; L107-S110 PolarHBondContact O-OG 3.1Å; L107-D111 PolarHBondContact O-N 3.2Å
108G94Very high93.8Very high9 Ų952.1 Ų52.19%0.09330%0.297CS..Hα-helixtrans-62.6-37.7179.800000113.1I104 T112I104-G108 WeakPolarHBondContact O-CA 3.48Å; I104-G108 PolarHBondContact O-N 3.49Å; G108-T112 WeakPolarHBondContact O-CB 3.42Å; G108-T112 PolarHBondContact O-N 3.22Å; G108-T112 VanDerWaalsContact O-N 3.13Å; G108-T112 PolarHBondContact O-OG1 2.89Å
109G93.8Very high93.2Very high37 Ų3754.4 Ų54.438%0.38130%0.3SS..Hα-helixtrans-68.5-43.3177.400000112.8I105 L107 T112 A113I105-G109 WeakPolarHBondContact O-CA 3.36Å; I105-G109 PolarHBondContact O-N 3.08Å; L107-G109 VanDerWaalsContact C-N 3.31Å; L107-G109 PolarHBondContact O-N 3.12Å; G109-T112 PolarHBondContact O-N 3.44Å; G109-A113 WeakPolarHBondContact O-CB 3.18Å; G109-A113 PolarHBondContact O-N 3.05Å
110S93Very high92.9Very high43 Ų4361.1 Ų61.130%0.30133%0.328SS..Hα-helixtrans-66.4-41.9177.4560000112.6V106 L107 T112 A113 L114V106-S110 WeakPolarHBondContact O-CB 3.47Å; V106-S110 PolarHBondContact O-N 2.86Å; V106-S110 PolarHBondContact O-OG 2.99Å; L107-S110 PolarHBondContact O-N 3.22Å; L107-S110 PolarHBondContact O-OG 3.1Å; S110-T112 PolarHBondContact O-N 2.76Å; S110-A113 PolarHBondContact O-N 3.47Å; S110-L114 WeakPolarHBondContact O-CB 3.27Å; S110-L114 VanDerWaalsContact O-CG 3.32Å; S110-L114 WeakPolarHBondContact O-CG 3.34Å; S110-L114 PolarHBondContact O-N 3.39Å
111D90.3Very high92.6Very high10 Ų1063.4 Ų63.45%0.05335%0.345CS..Hα-helixtrans-58-49.8174-164.957.4000111.6F12 Y65 L107 A113 L114 A115 H134F12-D111 HydrophobicContact CD1-CB 3.98Å; F12-D111 WeakPolarHBondContact CD1-OD1 3.15Å; F12-D111 HydrophobicContact CE1-CB 3.3Å; F12-D111 VanDerWaalsContact CE1-OD1 3.28Å; F12-D111 WeakPolarHBondContact CE1-OD1 3.33Å; F12-D111 HydrophobicContact CZ-CB 3.65Å; Y65-D111 VanDerWaalsContact CE2-OD2 3.24Å; Y65-D111 WeakPolarHBondContact CE2-OD2 3.47Å; Y65-D111 PolarHBondContact OH-OD2 3.47Å; Y65-D111 VanDerWaalsContact OH-OD2 3.04Å; L107-D111 PolarHBondContact O-N 3.2Å; D111-A113 VanDerWaalsContact C-N 3.33Å; D111-A113 PolarHBondContact O-N 3.02Å; D111-L114 PolarHBondContact O-N 2.85Å; D111-A115 WeakPolarHBondContact O-CB 3.43Å; D111-A115 PolarHBondContact O-N 3.31Å; D111-H134 IonicContact OD2-CE1 3.3Å; D111-H134 PolarHBondContact OD2-CE1 3.14Å; D111-H134 VanDerWaalsContact OD2-CE1 3.3Å; D111-H134 IonicContact OD2-ND1 3.63Å
112T89.9Confident92.2Very high42 Ų4265.7 Ų65.726%0.25836%0.355SS..Hα-helixtrans-63.7-41.7-179.3-53.20000110.6Y65 G108 G109 S110 A115 I116 F131Y65-T112 PolarHBondContact OH-OG1 2.9Å; G108-T112 WeakPolarHBondContact O-CB 3.42Å; G108-T112 PolarHBondContact O-N 3.22Å; G108-T112 VanDerWaalsContact O-N 3.13Å; G108-T112 PolarHBondContact O-OG1 2.89Å; G109-T112 PolarHBondContact O-N 3.44Å; S110-T112 PolarHBondContact O-N 2.76Å; T112-A115 PolarHBondContact O-N 3.45Å; T112-I116 HydrophobicContact CG2-CD1 3.95Å; T112-I116 WeakPolarHBondContact O-CB 3.3Å; T112-I116 VanDerWaalsContact O-CG1 3.22Å; T112-I116 WeakPolarHBondContact O-CG1 3.44Å; T112-I116 PolarHBondContact O-N 2.93Å; T112-F131 HydrophobicContact CG2-CE1 4.15Å
113A92.3Very high91.6Very high56 Ų5664.9 Ų64.946%0.46336%0.356SS..Hα-helixtrans-64.6-41.417800000112.2G109 S110 D111 I116 Y117G109-A113 WeakPolarHBondContact O-CB 3.18Å; G109-A113 PolarHBondContact O-N 3.05Å; S110-A113 PolarHBondContact O-N 3.47Å; D111-A113 VanDerWaalsContact C-N 3.33Å; D111-A113 PolarHBondContact O-N 3.02Å; A113-I116 PolarHBondContact O-N 3.34Å; A113-Y117 WeakPolarHBondContact O-CB 3.42Å; A113-Y117 PolarHBondContact O-N 2.88Å
114L89Confident91Very high94 Ų9470.7 Ų70.749%0.49239%0.387SS..Hα-helixtrans-64.9-43.8175.2-72172.5000111.3S110 D111 I116 Y117 D118S110-L114 WeakPolarHBondContact O-CB 3.27Å; S110-L114 VanDerWaalsContact O-CG 3.32Å; S110-L114 WeakPolarHBondContact O-CG 3.34Å; S110-L114 PolarHBondContact O-N 3.39Å; D111-L114 PolarHBondContact O-N 2.85Å; L114-I116 VanDerWaalsContact C-N 3.32Å; L114-I116 PolarHBondContact O-N 3.48Å; L114-Y117 PolarHBondContact O-N 3.2Å; L114-D118 WeakPolarHBondContact O-CB 3.31Å; L114-D118 PolarHBondContact O-N 2.86Å
115A86.8Confident90.2Very high13 Ų1373.8 Ų73.811%0.10740%0.401CS..Hα-helixtrans-62-39176.100000112.5D111 T112 R119 V129 F131D111-A115 WeakPolarHBondContact O-CB 3.43Å; D111-A115 PolarHBondContact O-N 3.31Å; T112-A115 PolarHBondContact O-N 3.45Å; A115-R119 WeakPolarHBondContact O-CB 3.27Å; A115-R119 PolarHBondContact O-N 3.01Å; A115-R119 VanDerWaalsContact O-N 3.15Å; A115-V129 HydrophobicContact CB-CB 4.37Å; A115-V129 HydrophobicContact CB-CG1 4.44Å; A115-F131 HydrophobicContact CB-CE1 4.21Å; A115-F131 HydrophobicContact CB-CZ 4.31Å
116I89.7Confident89Confident75 Ų7575.9 Ų75.939%0.38541%0.406SS..Hα-helixtrans-67.2-45.5174.2-70.1169.7000110.7T112 A113 L114 R119 F120 F131T112-I116 HydrophobicContact CG2-CD1 3.95Å; T112-I116 WeakPolarHBondContact O-CB 3.3Å; T112-I116 VanDerWaalsContact O-CG1 3.22Å; T112-I116 WeakPolarHBondContact O-CG1 3.44Å; T112-I116 PolarHBondContact O-N 2.93Å; A113-I116 PolarHBondContact O-N 3.34Å; L114-I116 VanDerWaalsContact C-N 3.32Å; L114-I116 PolarHBondContact O-N 3.48Å; I116-R119 WeakPolarHBondContact O-CB 3.36Å; I116-R119 PolarHBondContact O-N 3.26Å; I116-F120 HydrophobicContact CG2-CD2 3.68Å; I116-F120 HydrophobicContact CG2-CE2 3.53Å; I116-F120 WeakPolarHBondContact O-CD2 3.48Å; I116-F120 PolarHBondContact O-N 3.44Å; I116-F120 VanDerWaalsContact O-N 3.15Å; I116-F131 HydrophobicContact CG1-CE1 4.01Å; I116-F131 HydrophobicContact CG1-CZ 3.62Å
117Y91.2Very high87.8Confident149 Ų14974.9 Ų74.958%0.58440%0.397SS*.Hα-helixtrans-58.4-50.2177.8176.5-97.3000111.2A113 L114 R119 F120 S121A113-Y117 WeakPolarHBondContact O-CB 3.42Å; A113-Y117 PolarHBondContact O-N 2.88Å; L114-Y117 PolarHBondContact O-N 3.2Å; Y117-R119 PolarHBondContact O-N 3.09Å; Y117-F120 PolarHBondContact O-N 2.82Å; Y117-S121 WeakPolarHBondContact CE2-OG 3.14Å; Y117-S121 VanDerWaalsContact CZ-OG 3.29Å; Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 2.95Å; Y117-S121 PolarHBondContact O-OG 3.46Å
118D85.8Confident86.9Confident82 Ų8277.6 Ų77.644%0.43941%0.406SS..Hα-helixtrans-59.1-37.2178.5-75.5-15000111.9L114 F120 N122L114-D118 WeakPolarHBondContact O-CB 3.31Å; L114-D118 PolarHBondContact O-N 2.86Å; D118-F120 VanDerWaalsContact C-N 3.34Å; D118-F120 PolarHBondContact O-N 3.24Å; D118-N122 WeakPolarHBondContact O-CB 3.33Å; D118-N122 PolarHBondContact O-N 2.88Å; D118-N122 PolarHBondContact O-ND2 3.44Å
119R86.1Confident86Confident101 Ų10178.9 Ų78.938%0.38141%0.411SS..Hα-helixtrans-63.3-36.7176.2-178.863.2170.9-120-3.4112.8A115 I116 Y117 R128A115-R119 WeakPolarHBondContact O-CB 3.27Å; A115-R119 PolarHBondContact O-N 3.01Å; A115-R119 VanDerWaalsContact O-N 3.15Å; I116-R119 WeakPolarHBondContact O-CB 3.36Å; I116-R119 PolarHBondContact O-N 3.26Å; Y117-R119 PolarHBondContact O-N 3.09Å; R119-R128 VanDerWaalsContact NH1-CB 3.3Å
120F91.3Very high85.4Confident161 Ų16177.2 Ų77.271%0.70639%0.394SS*.Hα-helixtrans-85.2-35.3178.9-76.1-66000112.9I116 Y117 D118I116-F120 HydrophobicContact CG2-CD2 3.68Å; I116-F120 HydrophobicContact CG2-CE2 3.53Å; I116-F120 WeakPolarHBondContact O-CD2 3.48Å; I116-F120 PolarHBondContact O-N 3.44Å; I116-F120 VanDerWaalsContact O-N 3.15Å; Y117-F120 PolarHBondContact O-N 2.82Å; D118-F120 VanDerWaalsContact C-N 3.34Å; D118-F120 PolarHBondContact O-N 3.24Å
121S92Very high85.2Confident55 Ų5578.9 Ų78.939%0.38540%0.396SS..Hα-helixtrans-75.2-27.7-179.8-67.90000113.1Y117 P123Y117-S121 WeakPolarHBondContact CE2-OG 3.14Å; Y117-S121 VanDerWaalsContact CZ-OG 3.29Å; Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 2.95Å; Y117-S121 PolarHBondContact O-OG 3.46Å; S121-P123 VanDerWaalsContact C-CD 3.45Å; S121-P123 WeakPolarHBondContact O-CD 3.25Å
122N88.2Confident85.2Confident77 Ų7779.3 Ų79.341%0.41240%0.4SS..  trans-122.367.4-179.2-53.7-76.1000111D118 N124 E125D118-N122 WeakPolarHBondContact O-CB 3.33Å; D118-N122 PolarHBondContact O-N 2.88Å; D118-N122 PolarHBondContact O-ND2 3.44Å; N122-N124 PolarHBondContact O-N 3.11Å; N122-E125 HydrophobicContact CB-CB 4Å; N122-E125 VanDerWaalsContact O-CB 3.25Å; N122-E125 WeakPolarHBondContact O-CB 3.16Å; N122-E125 PolarHBondContact O-N 3.47Å; N122-E125 VanDerWaalsContact O-N 3.07Å
123P85.6Confident85.3Confident80 Ų8077.5 Ų77.552%0.51939%0.39SS..THydrogen-bonded Turntrans-63.7-28.2-173.125.5-34.8000113.3S121 E125 R128S121-P123 VanDerWaalsContact C-CD 3.45Å; S121-P123 WeakPolarHBondContact O-CD 3.25Å; P123-E125 VanDerWaalsContact C-N 3.3Å; P123-R128 PolarHBondContact O-NH2 3Å
124N86.4Confident85.3Confident156 Ų15675.1 Ų75.183%0.83437%0.369SS*.THydrogen-bonded Turntrans-83.9-3.7179.9-61.1-29.9000113.3N122 K126N122-N124 PolarHBondContact O-N 3.11Å; N124-K126 PolarHBondContact O-N 2.9Å
125E80.4Confident85.5Confident77 Ų7777 Ų7736%0.3637%0.373SS..  trans-66.9121.3177.5-165.167.2-121.200109.6Y5 N122 P123 I127 R128Y5-E125 WeakPolarHBondContact OH-CG 3.43Å; Y5-E125 PolarHBondContact OH-OE1 2.72Å; N122-E125 HydrophobicContact CB-CB 4Å; N122-E125 VanDerWaalsContact O-CB 3.25Å; N122-E125 WeakPolarHBondContact O-CB 3.16Å; N122-E125 PolarHBondContact O-N 3.47Å; N122-E125 VanDerWaalsContact O-N 3.07Å; P123-E125 VanDerWaalsContact C-N 3.3Å; E125-I127 VanDerWaalsContact CG-O 3.25Å; E125-I127 WeakPolarHBondContact CG-O 3.34Å; E125-R128 PolarHBondContact O-NE 2.99Å
126K72Confident85.9Confident164 Ų16476.7 Ų76.771%0.71337%0.372SS*.SBendtrans-71.3-38.2177.5-69-168.7177.3-169.70111.3N124 Q197N124-K126 PolarHBondContact O-N 2.9Å; K126-Q197 PolarHBondContact NZ-O 2.86Å
127I71.7Confident86.3Confident69 Ų6973.1 Ų73.135%0.35435%0.353SS..  trans-90.9121.3-175.4-68.8172.1000109.7Y5 L56 E125Y5-I127 HydrophobicContact CD2-CB 4.45Å; Y5-I127 HydrophobicContact CD2-CG2 3.49Å; Y5-I127 VanDerWaalsContact CD2-CG2 3.49Å; Y5-I127 HydrophobicContact CE2-CB 3.9Å; Y5-I127 HydrophobicContact CE2-CD1 4.42Å; Y5-I127 HydrophobicContact CE2-CG2 3.41Å; Y5-I127 VanDerWaalsContact CE2-CG2 3.41Å; Y5-I127 HydrophobicContact CG-CG2 4.21Å; L56-I127 HydrophobicContact CB-CG2 3.75Å; L56-I127 HydrophobicContact CD1-CB 4.46Å; L56-I127 HydrophobicContact CD1-CD1 4.13Å; L56-I127 HydrophobicContact CD1-CG1 4.09Å; L56-I127 HydrophobicContact CD1-CG2 3.63Å; L56-I127 HydrophobicContact CD2-CG2 3.67Å; L56-I127 HydrophobicContact CG-CG2 3.88Å; E125-I127 VanDerWaalsContact CG-O 3.25Å; E125-I127 WeakPolarHBondContact CG-O 3.34Å
128R75.9Confident86.6Confident80 Ų8068.4 Ų68.430%0.30234%0.336SS..  trans-129.9145.4-177.3-71.1134.7168-144.14.5110.9L56 R119 P123 E125 G130L56-R128 PolarHBondContact N-O 3.48Å; L56-R128 VanDerWaalsContact N-O 3.07Å; R119-R128 VanDerWaalsContact NH1-CB 3.3Å; P123-R128 PolarHBondContact O-NH2 3Å; E125-R128 PolarHBondContact O-NE 2.99Å; R128-G130 PolarHBondContact O-N 3.42Å
129V75.9Confident87.2Confident35 Ų3567.3 Ų67.321%0.21233%0.329CS..BIsolated β-bridgetrans-63.1124.4170.9179.40000108.9A115 F131 H134A115-V129 HydrophobicContact CB-CB 4.37Å; A115-V129 HydrophobicContact CB-CG1 4.44Å; V129-F131 PolarHBondContact O-N 2.95Å; V129-H134 VanDerWaalsContact CG1-CE1 3.42Å; V129-H134 WeakPolarHBondContact CG1-CE1 3.47Å; V129-H134 WeakPolarHBondContact CG1-NE2 3.19Å
130G80.1Confident87.8Confident2 Ų262.6 Ų62.62%0.02131%0.312CS..  trans-77.7109.1178.500000112S55 R128 S132 A133S55-G130 VanDerWaalsContact OG-CA 3.27Å; S55-G130 WeakPolarHBondContact OG-CA 3.37Å; R128-G130 PolarHBondContact O-N 3.42Å; G130-S132 PolarHBondContact O-N 2.9Å; G130-A133 PolarHBondContact O-N 3.39Å
131F88.4Confident88.1Confident79 Ų7955 Ų5535%0.34628%0.279SS..Hα-helixtrans-62.1-29.6174.9-70.2-70.1000112.2T112 A115 I116 V129 A133 H134 F135T112-F131 HydrophobicContact CG2-CE1 4.15Å; A115-F131 HydrophobicContact CB-CE1 4.21Å; A115-F131 HydrophobicContact CB-CZ 4.31Å; I116-F131 HydrophobicContact CG1-CE1 4.01Å; I116-F131 HydrophobicContact CG1-CZ 3.62Å; V129-F131 PolarHBondContact O-N 2.95Å; F131-A133 PolarHBondContact O-N 3.21Å; F131-H134 PolarHBondContact O-N 3.26Å; F131-F135 WeakPolarHBondContact O-CB 3.34Å; F131-F135 PolarHBondContact O-N 3.08Å
132S90.6Very high88.4Confident18 Ų1854.1 Ų54.113%0.12627%0.27CS..Hα-helixtrans-62.8-41176.8-177.30000112.4A47 S48 T51 G130 H134 F135 G136A47-S132 PolarHBondContact O-OG 3.34Å; S48-S132 PolarHBondContact N-OG 3.4Å; T51-S132 WeakPolarHBondContact OG1-CB 3.45Å; T51-S132 PolarHBondContact OG1-OG 3.5Å; G130-S132 PolarHBondContact O-N 2.9Å; S132-H134 VanDerWaalsContact C-N 3.32Å; S132-H134 PolarHBondContact O-N 2.95Å; S132-F135 PolarHBondContact O-N 3.02Å; S132-G136 PolarHBondContact O-N 2.85Å
133A91.1Very high88.9Confident5 Ų551.4 Ų51.44%0.04126%0.255CS..Hα-helixtrans-63.1-40.3177.300000111.9G44 V57 G130 F131 G137G44-A133 WeakPolarHBondContact CA-O 3.28Å; G44-A133 WeakPolarHBondContact O-CA 3.4Å; V57-A133 HydrophobicContact CG1-CB 4.37Å; G130-A133 PolarHBondContact O-N 3.39Å; F131-A133 PolarHBondContact O-N 3.21Å; A133-G137 PolarHBondContact O-N 3.29Å
134H93.3Very high89.6Confident5 Ų548.2 Ų48.22%0.02323%0.233CC..Hα-helixtrans-65.3-48.3176.6-69-161.3000110.7S61 Y65 D111 V129 F131 S132 G137 F138S61-H134 VanDerWaalsContact CB-NE2 3.27Å; S61-H134 WeakPolarHBondContact CB-NE2 3.22Å; S61-H134 PolarHBondContact OG-CD2 2.72Å; S61-H134 VanDerWaalsContact OG-CD2 3.31Å; S61-H134 PolarHBondContact OG-NE2 3.16Å; Y65-H134 WeakPolarHBondContact CB-O 3Å; Y65-H134 HydrophobicContact CD1-CB 3.9Å; Y65-H134 HydrophobicContact CD2-CB 3.79Å; Y65-H134 AromaticContact CD2-CG 3.69Å; Y65-H134 AromaticContact CD2-ND1 3.87Å; Y65-H134 HydrophobicContact CE1-CB 3.82Å; Y65-H134 HydrophobicContact CE2-CB 3.72Å; Y65-H134 AromaticContact CE2-CE1 3.57Å; Y65-H134 AromaticContact CE2-CG 3.35Å; Y65-H134 AromaticContact CE2-ND1 3.05Å; Y65-H134 WeakPolarHBondContact CE2-ND1 3.3Å; Y65-H134 HydrophobicContact CG-CB 3.86Å; Y65-H134 AromaticContact CZ-CG 3.67Å; Y65-H134 AromaticContact CZ-ND1 3.22Å; Y65-H134 PolarHBondContact OH-ND1 3.33Å; Y65-H134 VanDerWaalsContact OH-ND1 3.11Å; D111-H134 IonicContact OD2-CE1 3.3Å; D111-H134 PolarHBondContact OD2-CE1 3.14Å; D111-H134 VanDerWaalsContact OD2-CE1 3.3Å; D111-H134 IonicContact OD2-ND1 3.63Å; V129-H134 VanDerWaalsContact CG1-CE1 3.42Å; V129-H134 WeakPolarHBondContact CG1-CE1 3.47Å; V129-H134 WeakPolarHBondContact CG1-NE2 3.19Å; F131-H134 PolarHBondContact O-N 3.26Å; S132-H134 VanDerWaalsContact C-N 3.32Å; S132-H134 PolarHBondContact O-N 2.95Å; H134-G137 PolarHBondContact O-N 2.86Å; H134-F138 WeakPolarHBondContact O-CB 3.27Å; H134-F138 PolarHBondContact O-N 2.91Å
135F94.1Very high90.1Very high134 Ų13441 Ų4159%0.58820%0.196SC*.Hα-helixtrans-66.1-44.7-179.3-171.9-111.1000112.7F131 S132 G137 F138 I139F131-F135 WeakPolarHBondContact O-CB 3.34Å; F131-F135 PolarHBondContact O-N 3.08Å; S132-F135 PolarHBondContact O-N 3.02Å; F135-G137 VanDerWaalsContact C-N 3.33Å; F135-G137 PolarHBondContact O-N 3.02Å; F135-F138 WeakPolarHBondContact O-CB 3.27Å; F135-F138 PolarHBondContact O-N 2.69Å; F135-I139 HydrophobicContact CD1-CG1 4.31Å; F135-I139 HydrophobicContact CD2-CG1 4.46Å; F135-I139 HydrophobicContact CE1-CG1 3.93Å; F135-I139 HydrophobicContact CE2-CD1 4.11Å; F135-I139 HydrophobicContact CE2-CG1 4.09Å; F135-I139 HydrophobicContact CZ-CD1 3.92Å; F135-I139 HydrophobicContact CZ-CG1 3.81Å; F135-I139 WeakPolarHBondContact O-CG1 3.05Å; F135-I139 PolarHBondContact O-N 2.89Å
136G95.5Very high91Very high7 Ų737.8 Ų37.87%0.07218%0.181CC..Hα-helixtrans-61.3-41175.600000112.4S132 A140S132-G136 PolarHBondContact O-N 2.85Å; G136-A140 VanDerWaalsContact O-CB 3.27Å; G136-A140 WeakPolarHBondContact O-CB 3.24Å; G136-A140 PolarHBondContact O-N 3.07Å
137G96.6Very high92.2Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-60.5-48.1171.700000112.5G62 A66 A133 H134 F135 A140 G141G62-G137 VanDerWaalsContact O-CA 3.27Å; G62-G137 WeakPolarHBondContact O-CA 3.22Å; A66-G137 WeakPolarHBondContact CA-O 3.4Å; A66-G137 WeakPolarHBondContact CB-O 3.14Å; A66-G137 PolarHBondContact N-O 3.34Å; A133-G137 PolarHBondContact O-N 3.29Å; H134-G137 PolarHBondContact O-N 2.86Å; F135-G137 VanDerWaalsContact C-N 3.33Å; F135-G137 PolarHBondContact O-N 3.02Å; G137-A140 PolarHBondContact O-N 3.34Å; G137-G141 PolarHBondContact O-N 2.82Å
138F97.8Very high93.5Very high49 Ų4930.3 Ų30.322%0.21515%0.152CC..Hα-helixtrans-58.3-50.6177.9171.9-103.4000113Y65 I68 L72 H134 F135 G141 L142Y65-F138 HydrophobicContact CD1-CB 4.2Å; Y65-F138 WeakPolarHBondContact O-CA 2.85Å; I68-F138 HydrophobicContact CB-CD2 4.45Å; I68-F138 HydrophobicContact CG2-CD2 3.86Å; I68-F138 HydrophobicContact CG2-CE2 3.95Å; L72-F138 HydrophobicContact CD2-CE2 4.17Å; L72-F138 HydrophobicContact CD2-CZ 3.75Å; H134-F138 WeakPolarHBondContact O-CB 3.27Å; H134-F138 PolarHBondContact O-N 2.91Å; F135-F138 WeakPolarHBondContact O-CB 3.27Å; F135-F138 PolarHBondContact O-N 2.69Å; F138-G141 PolarHBondContact O-N 3.23Å; F138-L142 PolarHBondContact O-N 3.02Å
139I98.2Very high94.5Very high59 Ų5927.1 Ų27.130%0.30314%0.14SC..Hα-helixtrans-63.7-44.1179.5-64.8-61.2000110.7F135 G141 L142 L143F135-I139 HydrophobicContact CD1-CG1 4.31Å; F135-I139 HydrophobicContact CD2-CG1 4.46Å; F135-I139 HydrophobicContact CE1-CG1 3.93Å; F135-I139 HydrophobicContact CE2-CD1 4.11Å; F135-I139 HydrophobicContact CE2-CG1 4.09Å; F135-I139 HydrophobicContact CZ-CD1 3.92Å; F135-I139 HydrophobicContact CZ-CG1 3.81Å; F135-I139 WeakPolarHBondContact O-CG1 3.05Å; F135-I139 PolarHBondContact O-N 2.89Å; I139-G141 VanDerWaalsContact C-N 3.32Å; I139-G141 PolarHBondContact O-N 3.1Å; I139-L142 PolarHBondContact O-N 2.91Å; I139-L143 HydrophobicContact CG2-CD1 3.89Å; I139-L143 HydrophobicContact CG2-CG 4.3Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.49Å; I139-L143 PolarHBondContact O-N 3.39Å
140A98.4Very high95.5Very high3 Ų329.7 Ų29.73%0.02515%0.146CC..Hα-helixtrans-59.9-43.4174.700000111.8S43 G136 G137 L142 L143 L144 F169S43-A140 WeakPolarHBondContact OG-CB 3.4Å; G136-A140 VanDerWaalsContact O-CB 3.27Å; G136-A140 WeakPolarHBondContact O-CB 3.24Å; G136-A140 PolarHBondContact O-N 3.07Å; G137-A140 PolarHBondContact O-N 3.34Å; A140-L142 PolarHBondContact O-N 3.34Å; A140-L143 PolarHBondContact O-N 3.31Å; A140-L144 HydrophobicContact CB-CD1 4.43Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 WeakPolarHBondContact O-CG 3.33Å; A140-L144 PolarHBondContact O-N 3.42Å; A140-F169 HydrophobicContact CB-CE2 4.01Å
141G98.7Very high96.1Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-60.1-41.7175.100000113.7A66 G69 A70 G137 F138 I139 G145A66-G141 VanDerWaalsContact O-CA 3.24Å; A66-G141 WeakPolarHBondContact O-CA 3.48Å; G69-G141 VanDerWaalsContact C-C 3.5Å; G69-G141 CarbonylContact C-O 3.52Å; A70-G141 WeakPolarHBondContact CA-O 3.2Å; A70-G141 PolarHBondContact N-O 3.31Å; G137-G141 PolarHBondContact O-N 2.82Å; F138-G141 PolarHBondContact O-N 3.23Å; I139-G141 VanDerWaalsContact C-N 3.32Å; I139-G141 PolarHBondContact O-N 3.1Å; G141-G145 VanDerWaalsContact O-CA 3.24Å; G141-G145 WeakPolarHBondContact O-CA 3.42Å; G141-G145 PolarHBondContact O-N 3.01Å
142L98.7Very high96.1Very high37 Ų3733 Ų3319%0.19417%0.166CC..Hα-helixtrans-64.2-51.2176.2177.760.4000111.2G69 L72 A73 I76 F138 I139 A140 V146G69-L142 WeakPolarHBondContact O-CA 3.33Å; L72-L142 HydrophobicContact CB-CD1 4.32Å; L72-L142 HydrophobicContact CD2-CD1 4.14Å; L72-L142 HydrophobicContact CD2-CD2 4.48Å; L72-L142 HydrophobicContact CG-CD1 4.04Å; A73-L142 HydrophobicContact CB-CD1 4.02Å; A73-L142 WeakPolarHBondContact CB-O 3.34Å; I76-L142 HydrophobicContact CD1-CD1 4.15Å; F138-L142 PolarHBondContact O-N 3.02Å; I139-L142 PolarHBondContact O-N 2.91Å; A140-L142 PolarHBondContact O-N 3.34Å; L142-V146 WeakPolarHBondContact O-CG2 3.49Å; L142-V146 PolarHBondContact O-N 2.91Å
143L98.7Very high96.1Very high21 Ų2138.3 Ų38.311%0.1119%0.187CC..Hα-helixtrans-66.4-49.6-178.4-62.9175.8000111.8I139 A140 G145 V146 V147 C165 I168 F169I139-L143 HydrophobicContact CG2-CD1 3.89Å; I139-L143 HydrophobicContact CG2-CG 4.3Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.49Å; I139-L143 PolarHBondContact O-N 3.39Å; A140-L143 PolarHBondContact O-N 3.31Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 3.47Å; L143-V146 PolarHBondContact O-N 3.42Å; L143-V147 WeakPolarHBondContact O-CG2 3.18Å; L143-V147 PolarHBondContact O-N 3.03Å; L143-C165 HydrophobicContact CB-CB 4.37Å; L143-C165 HydrophobicContact CD2-CB 4.1Å; L143-I168 HydrophobicContact CD1-CB 4.31Å; L143-I168 HydrophobicContact CD1-CG2 3.72Å; L143-I168 HydrophobicContact CD2-CG2 4.49Å; L143-F169 HydrophobicContact CD1-CB 4.26Å
144L98.7Very high96.2Very high12 Ų1242.3 Ų42.36%0.06321%0.211CC..Hα-helixtrans-73.4-26.5-179.3-63173.4000112.1V36 L39 A140 V146 V147 I148 F169V36-L144 HydrophobicContact CG2-CB 4.3Å; L39-L144 HydrophobicContact CB-CD1 3.4Å; L39-L144 HydrophobicContact CD1-CD1 3.7Å; L39-L144 HydrophobicContact CD1-CD2 4.35Å; L39-L144 HydrophobicContact CG-CD1 4.18Å; A140-L144 HydrophobicContact CB-CD1 4.43Å; A140-L144 WeakPolarHBondContact O-CB 3.45Å; A140-L144 WeakPolarHBondContact O-CG 3.33Å; A140-L144 PolarHBondContact O-N 3.42Å; L144-V146 VanDerWaalsContact C-N 3.33Å; L144-V147 PolarHBondContact O-N 2.97Å; L144-I148 HydrophobicContact CB-CD1 4.07Å; L144-I148 HydrophobicContact CD2-CD1 4.23Å; L144-I148 VanDerWaalsContact O-CB 3.25Å; L144-I148 WeakPolarHBondContact O-CB 3.46Å; L144-I148 WeakPolarHBondContact O-CG1 3.42Å; L144-I148 PolarHBondContact O-N 3.43Å; L144-F169 HydrophobicContact CD1-CD2 4.25Å; L144-F169 HydrophobicContact CD1-CE1 4.45Å; L144-F169 HydrophobicContact CD1-CE2 3.68Å; L144-F169 HydrophobicContact CD1-CZ 3.79Å; L144-F169 HydrophobicContact CD2-CD1 3.89Å; L144-F169 HydrophobicContact CD2-CD2 4.08Å; L144-F169 HydrophobicContact CD2-CE1 3.98Å; L144-F169 HydrophobicContact CD2-CE2 4.17Å; L144-F169 HydrophobicContact CD2-CG 3.94Å; L144-F169 HydrophobicContact CD2-CZ 4.12Å; L144-F169 HydrophobicContact CG-CD2 4.02Å; L144-F169 HydrophobicContact CG-CE2 3.97Å; L144-F169 HydrophobicContact CG-CG 4.39Å; L144-F169 HydrophobicContact CG-CZ 4.28Å
145G98.6Very high96.2Very high4 Ų445.5 Ų45.54%0.04123%0.226CC..Hα-helixtrans-59.2-45.7172.300000111.6G141 L143 V147 L149G141-G145 VanDerWaalsContact O-CA 3.24Å; G141-G145 WeakPolarHBondContact O-CA 3.42Å; G141-G145 PolarHBondContact O-N 3.01Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 3.47Å; G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 3.34Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 WeakPolarHBondContact O-CG 3.49Å; G145-L149 PolarHBondContact O-N 3.46Å; G145-L149 VanDerWaalsContact O-N 3.12Å
146V98.1Very high96.2Very high10 Ų1047.7 Ų47.76%0.06124%0.235CC..Hα-helixtrans-61.1-38.3175.3172.10000111.8A73 M77 L142 L143 L144 F161 V162A73-V146 HydrophobicContact CB-CG2 3.84Å; M77-V146 HydrophobicContact CE-CG1 4.09Å; M77-V146 HydrophobicContact CG-CG1 4.47Å; M77-V146 HydrophobicContact CG-CG2 4.06Å; M77-V146 HydrophobicContact SD-CG1 3.96Å; M77-V146 HydrophobicContact SD-CG2 4.17Å; L142-V146 WeakPolarHBondContact O-CG2 3.49Å; L142-V146 PolarHBondContact O-N 2.91Å; L143-V146 PolarHBondContact O-N 3.42Å; L144-V146 VanDerWaalsContact C-N 3.33Å; V146-F161 HydrophobicContact CB-CE1 4.36Å; V146-F161 HydrophobicContact CG1-CD1 3.7Å; V146-F161 HydrophobicContact CG1-CE1 3.84Å; V146-F161 HydrophobicContact CG2-CD1 4.3Å; V146-F161 HydrophobicContact CG2-CE1 3.58Å; V146-F161 HydrophobicContact CG2-CZ 4.3Å; V146-V162 HydrophobicContact CG1-CG2 3.72Å
147V97.6Very high96.2Very high51 Ų5152.9 Ų52.931%0.30925%0.253SS..Hα-helixtrans-83.4-43.3-173.9177.60000112.7L143 L144 G145 V162 C165 V166L143-V147 WeakPolarHBondContact O-CG2 3.18Å; L143-V147 PolarHBondContact O-N 3.03Å; L144-V147 PolarHBondContact O-N 2.97Å; G145-V147 VanDerWaalsContact C-N 3.3Å; G145-V147 PolarHBondContact O-N 3.34Å; V147-V162 HydrophobicContact CG2-CG1 4.25Å; V147-C165 HydrophobicContact CG2-CB 3.91Å; V147-V166 HydrophobicContact CB-CG2 4.43Å; V147-V166 HydrophobicContact CG1-CG2 3.85Å; V147-V166 HydrophobicContact CG2-CG2 3.62Å
148I98.1Very high96Very high26 Ų2653.1 Ų53.113%0.13325%0.254CS..Hα-helixtrans-97.8-33.8-166.6-59.6179.7000111.6R32 L35 V36 L39 L144R32-I148 HydrophobicContact CB-CG2 4.05Å; R32-I148 VanDerWaalsContact CD-O 3.27Å; R32-I148 WeakPolarHBondContact CD-O 3.43Å; R32-I148 HydrophobicContact CG-CG2 4.3Å; R32-I148 PolarHBondContact NH1-O 2.8Å; L35-I148 HydrophobicContact CB-CD1 4.42Å; L35-I148 HydrophobicContact CB-CG2 4.49Å; V36-I148 HydrophobicContact CG2-CB 3.93Å; V36-I148 HydrophobicContact CG2-CD1 4.06Å; V36-I148 HydrophobicContact CG2-CG1 4.49Å; V36-I148 HydrophobicContact CG2-CG2 4.1Å; L39-I148 HydrophobicContact CD1-CD1 4.05Å; L144-I148 HydrophobicContact CB-CD1 4.07Å; L144-I148 HydrophobicContact CD2-CD1 4.23Å; L144-I148 VanDerWaalsContact O-CB 3.25Å; L144-I148 WeakPolarHBondContact O-CB 3.46Å; L144-I148 WeakPolarHBondContact O-CG1 3.42Å; L144-I148 PolarHBondContact O-N 3.43Å
149L98Very high95.9Very high12 Ų1257.6 Ų57.66%0.06327%0.273CS..SBendtrans-75.6165.4-176-58.3-177.5000112.2L24 H28 R32 V33 V36 A70 T74 G145 N151L24-L149 HydrophobicContact CD2-CD1 3.79Å; H28-L149 HydrophobicContact CB-CB 4.44Å; H28-L149 HydrophobicContact CB-CD2 3.78Å; R32-L149 HydrophobicContact CB-CD2 4.14Å; V33-L149 HydrophobicContact CG2-CD2 4.39Å; V36-L149 HydrophobicContact CG2-CD2 4.27Å; A70-L149 HydrophobicContact CB-CD1 4.02Å; T74-L149 WeakPolarHBondContact OG1-CD1 3.18Å; G145-L149 WeakPolarHBondContact O-CB 3.37Å; G145-L149 WeakPolarHBondContact O-CG 3.49Å; G145-L149 PolarHBondContact O-N 3.46Å; G145-L149 VanDerWaalsContact O-N 3.12Å; L149-N151 PolarHBondContact O-N 2.64Å
150R95.8Very high95.8Very high89 Ų8963 Ų6334%0.33629%0.291SS..PPolyproline II helixtrans-72.7124.6178.2-61.2-165.6-74.2-166-6109.8V27 H28V27-R150 PolarHBondContact O-NE 2.87Å; V27-R150 PolarHBondContact O-NH2 2.85Å; H28-R150 PolarHBondContact CE1-O 2.99Å; H28-R150 VanDerWaalsContact CE1-O 3.3Å; H28-R150 PolarHBondContact ND1-N 2.96Å; H28-R150 VanDerWaalsContact ND1-N 3.1Å; H28-R150 PolarHBondContact ND1-O 3.31Å
151N93.6Very high95.8Very high43 Ų4366.3 Ų66.323%0.2331%0.305CS..PPolyproline II helixtrans-99.2120.4163.8-177.7-11.1000108.5L149 K153 V154 E158L149-N151 PolarHBondContact O-N 2.64Å; N151-K153 PolarHBondContact OD1-N 3.2Å; N151-K153 PolarHBondContact OD1-O 3.32Å; N151-V154 HydrophobicContact CB-CG2 4.26Å; N151-E158 PolarHBondContact ND2-OE1 3.42Å; N151-E158 PolarHBondContact ND2-OE2 3.12Å
152L88.2Confident95.7Very high107 Ų10768.4 Ų68.456%0.5632%0.318SS*.SBendtrans-76-30.5-172-64175.8000112.6N78 I81N78-L152 PolarHBondContact OD1-N 3.07Å; I81-L152 HydrophobicContact CD1-CB 3.75Å; I81-L152 HydrophobicContact CG2-CD1 3.86Å
153K91.2Very high95.7Very high130 Ų13070.7 Ų70.757%0.56534%0.336SS*.SBendtrans-143.3104.1177.9-178.8-168.9172.9-1600109.2I81 N151 E155I81-K153 HydrophobicContact CD1-CB 3.59Å; N151-K153 PolarHBondContact OD1-N 3.2Å; N151-K153 PolarHBondContact OD1-O 3.32Å; K153-E155 PolarHBondContact O-N 3.16Å
154V92.2Very high95.6Very high90 Ų9073.9 Ų73.955%0.54535%0.353SS..  trans-79.1121.9-176.5-1770000111.5N151 E158 K159N151-V154 HydrophobicContact CB-CG2 4.26Å; V154-E158 VanDerWaalsContact CA-OE2 3.27Å; V154-E158 WeakPolarHBondContact CA-OE2 3.46Å; V154-K159 HydrophobicContact CG1-CG 4.15Å
155E92.8Very high95.6Very high71 Ų7173.5 Ų73.533%0.33235%0.351SS..  trans-93.9168.3172.2-54.6-158.3153.600112.3K153 W157 E158K153-E155 PolarHBondContact O-N 3.16Å; E155-W157 PolarHBondContact OE2-NE1 3.4Å; E155-E158 HydrophobicContact CB-CG 4.1Å; E155-E158 PolarHBondContact N-OE2 3.34Å
156K94.1Very high95.6Very high181 Ų18176 Ų7679%0.78737%0.366SS*.Hα-helixtrans-67.8-43.4-177-68-177.2-177.51770112.4E158 K159 Y160K156-E158 PolarHBondContact O-N 2.94Å; K156-K159 PolarHBondContact O-N 3.25Å; K156-Y160 WeakPolarHBondContact O-CD2 3.15Å
157W95.4Very high95.6Very high115 Ų11579.9 Ų79.944%0.43639%0.386SS..Hα-helixtrans-64.6-32.9-177.868.4-92.6000111.7M77 E155 K159 Y160 F161M77-W157 HydrophobicContact SD-CH2 4.14Å; E155-W157 PolarHBondContact OE2-NE1 3.4Å; W157-K159 VanDerWaalsContact C-N 3.29Å; W157-K159 PolarHBondContact O-N 3.4Å; W157-Y160 PolarHBondContact O-N 3.33Å; W157-Y160 VanDerWaalsContact O-N 3.16Å; W157-F161 HydrophobicContact CE3-CB 4.08Å; W157-F161 HydrophobicContact CE3-CG 4.49Å; W157-F161 HydrophobicContact CZ3-CB 4.09Å; W157-F161 AromaticContact CZ3-CD1 3.9Å; W157-F161 HydrophobicContact CZ3-CD1 3.9Å; W157-F161 HydrophobicContact CZ3-CG 4.05Å; W157-F161 PolarHBondContact O-N 3.25Å
158E94.3Very high95.6Very high5 Ų581.7 Ų81.72%0.02339%0.392CS..Hα-helixtrans-63-32.5-179.8-66.4-176.8142.800113M77 N151 V154 E155 K156 Y160 F161 V162M77-E158 HydrophobicContact CE-CB 3.7Å; M77-E158 HydrophobicContact CE-CG 3.57Å; M77-E158 WeakPolarHBondContact CE-OE1 3.2Å; M77-E158 HydrophobicContact SD-CG 4.45Å; N151-E158 PolarHBondContact ND2-OE1 3.42Å; N151-E158 PolarHBondContact ND2-OE2 3.12Å; V154-E158 VanDerWaalsContact CA-OE2 3.27Å; V154-E158 WeakPolarHBondContact CA-OE2 3.46Å; E155-E158 HydrophobicContact CB-CG 4.1Å; E155-E158 PolarHBondContact N-OE2 3.34Å; K156-E158 PolarHBondContact O-N 2.94Å; E158-Y160 VanDerWaalsContact C-N 3.34Å; E158-Y160 PolarHBondContact O-N 3.11Å; E158-F161 PolarHBondContact O-N 3.33Å; E158-V162 WeakPolarHBondContact O-CB 3.19Å; E158-V162 WeakPolarHBondContact O-CG2 3.44Å; E158-V162 PolarHBondContact O-N 2.04Å
159K94.7Very high95.6Very high143 Ų14381.8 Ų81.862%0.62239%0.392SS*.Hα-helixtrans-63.6-42.3176.1-63.1-177.2-178.5-1780111.6V154 K156 W157 C163V154-K159 HydrophobicContact CG1-CG 4.15Å; K156-K159 PolarHBondContact O-N 3.25Å; W157-K159 VanDerWaalsContact C-N 3.29Å; W157-K159 PolarHBondContact O-N 3.4Å; K159-C163 PolarHBondContact O-N 2.84Å
160Y96.7Very high95.6Very high174 Ų17485.8 Ų85.868%0.68241%0.413SS*.Hα-helixtrans-69-39.2174.8-61.8-79.6000110.8K156 W157 E158 C163 N164K156-Y160 WeakPolarHBondContact O-CD2 3.15Å; W157-Y160 PolarHBondContact O-N 3.33Å; W157-Y160 VanDerWaalsContact O-N 3.16Å; E158-Y160 VanDerWaalsContact C-N 3.34Å; E158-Y160 PolarHBondContact O-N 3.11Å; Y160-C163 PolarHBondContact O-N 2.86Å; Y160-N164 PolarHBondContact O-N 3.3Å; Y160-N164 PolarHBondContact O-ND2 3.43Å
161F96.9Very high95.8Very high71 Ų7186.7 Ų86.731%0.31142%0.424SS..Hα-helixtrans-61.9-47.1177.4-173.3-127000112.1M77 V146 W157 E158 C163 N164 C165M77-F161 HydrophobicContact CE-CD1 4.44Å; M77-F161 HydrophobicContact SD-CD1 3.64Å; M77-F161 HydrophobicContact SD-CE1 3.79Å; V146-F161 HydrophobicContact CB-CE1 4.36Å; V146-F161 HydrophobicContact CG1-CD1 3.7Å; V146-F161 HydrophobicContact CG1-CE1 3.84Å; V146-F161 HydrophobicContact CG2-CD1 4.3Å; V146-F161 HydrophobicContact CG2-CE1 3.58Å; V146-F161 HydrophobicContact CG2-CZ 4.3Å; W157-F161 HydrophobicContact CE3-CB 4.08Å; W157-F161 HydrophobicContact CE3-CG 4.49Å; W157-F161 HydrophobicContact CZ3-CB 4.09Å; W157-F161 AromaticContact CZ3-CD1 3.9Å; W157-F161 HydrophobicContact CZ3-CD1 3.9Å; W157-F161 HydrophobicContact CZ3-CG 4.05Å; W157-F161 PolarHBondContact O-N 3.25Å; E158-F161 PolarHBondContact O-N 3.33Å; F161-C163 VanDerWaalsContact C-N 3.33Å; F161-C163 PolarHBondContact O-N 3.47Å; F161-N164 PolarHBondContact O-N 3.24Å; F161-N164 VanDerWaalsContact O-N 3.15Å; F161-C165 PolarHBondContact O-N 2.93Å; F161-C165 PolarHBondContact O-SG 3.19Å; F161-C165 VanDerWaalsContact O-SG 3.34Å
162V97.6Very high96Very high45 Ų4587.7 Ų87.727%0.27343%0.427SS..Hα-helixtrans-55.5-46.2173.7168.40000111.2V146 V147 E158 N164 C165 V166V146-V162 HydrophobicContact CG1-CG2 3.72Å; V147-V162 HydrophobicContact CG2-CG1 4.25Å; E158-V162 WeakPolarHBondContact O-CB 3.19Å; E158-V162 WeakPolarHBondContact O-CG2 3.44Å; E158-V162 PolarHBondContact O-N 2.04Å; V162-N164 VanDerWaalsContact C-N 3.34Å; V162-N164 PolarHBondContact O-N 3.24Å; V162-C165 PolarHBondContact O-N 2.92Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 3.34Å
163C97.5Very high96.4Very high85 Ų8583.5 Ų83.557%0.57441%0.407SS*.Hα-helixtrans-59.9-44178-172.40000111.9K159 Y160 F161 V166 L167K159-C163 PolarHBondContact O-N 2.84Å; Y160-C163 PolarHBondContact O-N 2.86Å; F161-C163 VanDerWaalsContact C-N 3.33Å; F161-C163 PolarHBondContact O-N 3.47Å; C163-V166 PolarHBondContact O-N 3.49Å; C163-L167 WeakPolarHBondContact O-CB 3.44Å; C163-L167 PolarHBondContact O-N 3.11Å
164N98Very high96.7Very high88 Ų8881.2 Ų81.247%0.47140%0.404SS..Hα-helixtrans-63.6-42.3175.1-78.1-81.3000111.8Y160 F161 V162 V166 L167 I168Y160-N164 PolarHBondContact O-N 3.3Å; Y160-N164 PolarHBondContact O-ND2 3.43Å; F161-N164 PolarHBondContact O-N 3.24Å; F161-N164 VanDerWaalsContact O-N 3.15Å; V162-N164 VanDerWaalsContact C-N 3.34Å; V162-N164 PolarHBondContact O-N 3.24Å; N164-V166 VanDerWaalsContact C-N 3.35Å; N164-V166 PolarHBondContact O-N 2.84Å; N164-L167 PolarHBondContact O-N 3.04Å; N164-I168 WeakPolarHBondContact O-CB 3.44Å; N164-I168 WeakPolarHBondContact O-CD1 3.49Å; N164-I168 VanDerWaalsContact O-CG1 3.23Å; N164-I168 WeakPolarHBondContact O-CG1 3.23Å; N164-I168 PolarHBondContact O-N 2.68Å
165C98.3Very high97Very high3 Ų379.7 Ų79.72%0.0240%0.401CS..Hα-helixtrans-60.3-43.2176.5-68.40000112.3L143 V147 F161 V162 F169L143-C165 HydrophobicContact CB-CB 4.37Å; L143-C165 HydrophobicContact CD2-CB 4.1Å; V147-C165 HydrophobicContact CG2-CB 3.91Å; F161-C165 PolarHBondContact O-N 2.93Å; F161-C165 PolarHBondContact O-SG 3.19Å; F161-C165 VanDerWaalsContact O-SG 3.34Å; V162-C165 PolarHBondContact O-N 2.92Å; C165-F169 WeakPolarHBondContact O-CB 3.32Å; C165-F169 PolarHBondContact O-N 3.13Å
166V98.2Very high97.1Very high57 Ų5776.9 Ų76.935%0.34539%0.388SS..Hα-helixtrans-61.7-48.7175.1172.80000110.7V147 V162 C163 N164 I168 F169 L170V147-V166 HydrophobicContact CB-CG2 4.43Å; V147-V166 HydrophobicContact CG1-CG2 3.85Å; V147-V166 HydrophobicContact CG2-CG2 3.62Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 3.34Å; C163-V166 PolarHBondContact O-N 3.49Å; N164-V166 VanDerWaalsContact C-N 3.35Å; N164-V166 PolarHBondContact O-N 2.84Å; V166-I168 PolarHBondContact O-N 3.46Å; V166-F169 PolarHBondContact O-N 3.11Å; V166-L170 HydrophobicContact CG1-CD1 3.82Å; V166-L170 HydrophobicContact CG1-CG 4.28Å; V166-L170 WeakPolarHBondContact O-CB 3.49Å; V166-L170 VanDerWaalsContact O-CG 3.31Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 3.3Å
167L98.2Very high97.1Very high92 Ų9272.3 Ų72.348%0.48237%0.372SS..Hα-helixtrans-59.6-48.7-179.6179.563.3000111.6C163 N164 F169 L170 L171C163-L167 WeakPolarHBondContact O-CB 3.44Å; C163-L167 PolarHBondContact O-N 3.11Å; N164-L167 PolarHBondContact O-N 3.04Å; L167-F169 VanDerWaalsContact C-N 3.35Å; L167-F169 PolarHBondContact O-N 3.07Å; L167-L170 PolarHBondContact O-N 3.37Å; L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.24Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.2Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.04Å; L167-L171 PolarHBondContact O-N 3.22Å
168I98.4Very high97.1Very high88 Ų8870.6 Ų70.645%0.45137%0.371SS..Hα-helixtrans-61-45.3179.6-67.3165.3000110.5L143 N164 V166 L171 F172L143-I168 HydrophobicContact CD1-CB 4.31Å; L143-I168 HydrophobicContact CD1-CG2 3.72Å; L143-I168 HydrophobicContact CD2-CG2 4.49Å; N164-I168 WeakPolarHBondContact O-CB 3.44Å; N164-I168 WeakPolarHBondContact O-CD1 3.49Å; N164-I168 VanDerWaalsContact O-CG1 3.23Å; N164-I168 WeakPolarHBondContact O-CG1 3.23Å; N164-I168 PolarHBondContact O-N 2.68Å; V166-I168 PolarHBondContact O-N 3.46Å; I168-L171 PolarHBondContact O-N 2.78Å; I168-F172 WeakPolarHBondContact O-CB 3.26Å; I168-F172 PolarHBondContact O-N 2.86Å
169F98.4Very high97.1Very high28 Ų2874.3 Ų74.312%0.12339%0.387CS..Hα-helixtrans-63.3-43.4179.1-177.7-98.1000112.2S43 A140 L143 L144 C165 V166 L167 F172 A173S43-F169 WeakPolarHBondContact OG-CE2 3.41Å; A140-F169 HydrophobicContact CB-CE2 4.01Å; L143-F169 HydrophobicContact CD1-CB 4.26Å; L144-F169 HydrophobicContact CD1-CD2 4.25Å; L144-F169 HydrophobicContact CD1-CE1 4.45Å; L144-F169 HydrophobicContact CD1-CE2 3.68Å; L144-F169 HydrophobicContact CD1-CZ 3.79Å; L144-F169 HydrophobicContact CD2-CD1 3.89Å; L144-F169 HydrophobicContact CD2-CD2 4.08Å; L144-F169 HydrophobicContact CD2-CE1 3.98Å; L144-F169 HydrophobicContact CD2-CE2 4.17Å; L144-F169 HydrophobicContact CD2-CG 3.94Å; L144-F169 HydrophobicContact CD2-CZ 4.12Å; L144-F169 HydrophobicContact CG-CD2 4.02Å; L144-F169 HydrophobicContact CG-CE2 3.97Å; L144-F169 HydrophobicContact CG-CG 4.39Å; L144-F169 HydrophobicContact CG-CZ 4.28Å; C165-F169 WeakPolarHBondContact O-CB 3.32Å; C165-F169 PolarHBondContact O-N 3.13Å; V166-F169 PolarHBondContact O-N 3.11Å; L167-F169 VanDerWaalsContact C-N 3.35Å; L167-F169 PolarHBondContact O-N 3.07Å; F169-F172 PolarHBondContact O-N 3.36Å; F169-A173 WeakPolarHBondContact O-CB 3.45Å; F169-A173 PolarHBondContact O-N 3.49Å
170L98.1Very high96.9Very high96 Ų9669.3 Ų69.350%0.50337%0.367SS..Hα-helixtrans-65.1-42.1177.3-71177.4000112V166 L167 A173 V174V166-L170 HydrophobicContact CG1-CD1 3.82Å; V166-L170 HydrophobicContact CG1-CG 4.28Å; V166-L170 WeakPolarHBondContact O-CB 3.49Å; V166-L170 VanDerWaalsContact O-CG 3.31Å; V166-L170 WeakPolarHBondContact O-CG 3.48Å; V166-L170 PolarHBondContact O-N 3.3Å; L167-L170 PolarHBondContact O-N 3.37Å; L170-A173 PolarHBondContact O-N 3.28Å; L170-V174 WeakPolarHBondContact O-CB 3.42Å; L170-V174 VanDerWaalsContact O-CG2 3.27Å; L170-V174 WeakPolarHBondContact O-CG2 3.42Å; L170-V174 PolarHBondContact O-N 3.36Å
171L98.3Very high96.8Very high109 Ų10965.1 Ų65.157%0.57136%0.359SS*.Hα-helixtrans-61-45175.5-73173.1000111.4L167 I168 A175L167-L171 HydrophobicContact CD1-CD1 4.16Å; L167-L171 HydrophobicContact CD1-CG 4.24Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.5Å; L167-L171 WeakPolarHBondContact O-CB 3.2Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.04Å; L167-L171 PolarHBondContact O-N 3.22Å; I168-L171 PolarHBondContact O-N 2.78Å; L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.15Å
172F97.7Very high96.6Very high64 Ų6468.3 Ų68.328%0.28137%0.37SS..Hα-helixtrans-59.2-50.1174.5164.9-99000111.9L46 A47 I168 F169 A175 T176L46-F172 HydrophobicContact CB-CZ 4.3Å; A47-F172 HydrophobicContact CB-CE2 4.32Å; A47-F172 HydrophobicContact CB-CZ 4.12Å; I168-F172 WeakPolarHBondContact O-CB 3.26Å; I168-F172 PolarHBondContact O-N 2.86Å; F169-F172 PolarHBondContact O-N 3.36Å; F172-A175 PolarHBondContact O-N 3.15Å; F172-T176 HydrophobicContact CD2-CG2 3.93Å; F172-T176 HydrophobicContact CE2-CG2 3.57Å; F172-T176 HydrophobicContact CZ-CG2 3.98Å; F172-T176 WeakPolarHBondContact O-CB 3.23Å; F172-T176 WeakPolarHBondContact O-CG2 3.43Å; F172-T176 PolarHBondContact O-N 3.24Å; F172-T176 PolarHBondContact O-OG1 3.41Å
173A97.7Very high96.2Very high18 Ų1866.7 Ų66.715%0.14936%0.36CS..Hα-helixtrans-62.3-46.7-178.700000111.5F169 L170 T176 I177F169-A173 WeakPolarHBondContact O-CB 3.45Å; F169-A173 PolarHBondContact O-N 3.49Å; L170-A173 PolarHBondContact O-N 3.28Å; A173-T176 PolarHBondContact O-OG1 3.18Å; A173-T176 VanDerWaalsContact O-OG1 3.09Å; A173-I177 VanDerWaalsContact O-CB 3.31Å; A173-I177 WeakPolarHBondContact O-CB 3.47Å; A173-I177 WeakPolarHBondContact O-CD1 3.33Å; A173-I177 WeakPolarHBondContact O-CG1 3.48Å; A173-I177 PolarHBondContact O-N 2.63Å
174V97.8Very high95.7Very high82 Ų8270 Ų7050%0.49736%0.362SS..Hα-helixtrans-64.2-46.2178.2171.80000111L170 T176 I177 L178L170-V174 WeakPolarHBondContact O-CB 3.42Å; L170-V174 VanDerWaalsContact O-CG2 3.27Å; L170-V174 WeakPolarHBondContact O-CG2 3.42Å; L170-V174 PolarHBondContact O-N 3.36Å; V174-T176 PolarHBondContact O-N 3.31Å; V174-I177 PolarHBondContact O-N 3.23Å; V174-L178 HydrophobicContact CG1-CD1 3.74Å; V174-L178 HydrophobicContact CG1-CG 4.15Å; V174-L178 WeakPolarHBondContact O-CB 3.34Å; V174-L178 VanDerWaalsContact O-CG 3.25Å; V174-L178 WeakPolarHBondContact O-CG 3.27Å; V174-L178 PolarHBondContact O-N 3.34Å
175A97Very high95.3Very high59 Ų5975.2 Ų75.249%0.48838%0.375SS..Hα-helixtrans-61.8-45-179.100000112.2L171 F172 F179L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.15Å; F172-A175 PolarHBondContact O-N 3.15Å; A175-F179 WeakPolarHBondContact O-CB 3.13Å; A175-F179 PolarHBondContact O-N 3.08Å
176T94.9Very high94.8Very high11 Ų1180.5 Ų80.57%0.06740%0.402CS..Hα-helixtrans-69.8-38.6179.8520000112.5L46 V50 F172 A173 V174 N180L46-T176 HydrophobicContact CB-CG2 4.43Å; V50-T176 HydrophobicContact CG2-CG2 3.95Å; F172-T176 HydrophobicContact CD2-CG2 3.93Å; F172-T176 HydrophobicContact CE2-CG2 3.57Å; F172-T176 HydrophobicContact CZ-CG2 3.98Å; F172-T176 WeakPolarHBondContact O-CB 3.23Å; F172-T176 WeakPolarHBondContact O-CG2 3.43Å; F172-T176 PolarHBondContact O-N 3.24Å; F172-T176 PolarHBondContact O-OG1 3.41Å; A173-T176 PolarHBondContact O-OG1 3.18Å; A173-T176 VanDerWaalsContact O-OG1 3.09Å; V174-T176 PolarHBondContact O-N 3.31Å; T176-N180 PolarHBondContact O-N 2.9Å; T176-N180 VanDerWaalsContact O-N 3.11Å; T176-N180 PolarHBondContact O-ND2 3.38Å
177I95.2Very high94.1Very high86 Ų8684.8 Ų84.844%0.44142%0.423SS..Hα-helixtrans-64.2-48.6174-70166.9000110.4L46 A173 V174 F179 N180 V181L46-I177 HydrophobicContact CD1-CG1 4.46Å; L46-I177 HydrophobicContact CD2-CG1 4.16Å; A173-I177 VanDerWaalsContact O-CB 3.31Å; A173-I177 WeakPolarHBondContact O-CB 3.47Å; A173-I177 WeakPolarHBondContact O-CD1 3.33Å; A173-I177 WeakPolarHBondContact O-CG1 3.48Å; A173-I177 PolarHBondContact O-N 2.63Å; V174-I177 PolarHBondContact O-N 3.23Å; I177-F179 VanDerWaalsContact C-N 3.33Å; I177-F179 PolarHBondContact O-N 3.21Å; I177-N180 PolarHBondContact O-N 3.44Å; I177-V181 HydrophobicContact CG2-CG2 4.36Å; I177-V181 WeakPolarHBondContact O-CG2 3.37Å; I177-V181 PolarHBondContact O-N 3.17Å
178L95.7Very high93.3Very high78 Ų7887.2 Ų87.241%0.40843%0.432SS..Hα-helixtrans-60.9-43.5178.3-71.8179.7000111.1V174 N180 V181 Y182V174-L178 HydrophobicContact CG1-CD1 3.74Å; V174-L178 HydrophobicContact CG1-CG 4.15Å; V174-L178 WeakPolarHBondContact O-CB 3.34Å; V174-L178 VanDerWaalsContact O-CG 3.25Å; V174-L178 WeakPolarHBondContact O-CG 3.27Å; V174-L178 PolarHBondContact O-N 3.34Å; L178-N180 VanDerWaalsContact C-N 3.35Å; L178-N180 PolarHBondContact O-N 2.79Å; L178-V181 PolarHBondContact O-N 3.38Å; L178-Y182 HydrophobicContact CB-CD2 4.09Å; L178-Y182 HydrophobicContact CB-CE2 4.05Å; L178-Y182 HydrophobicContact CD2-CE2 3.98Å; L178-Y182 HydrophobicContact CG-CE2 4.45Å; L178-Y182 WeakPolarHBondContact O-CB 3.22Å; L178-Y182 WeakPolarHBondContact O-CD2 3.26Å; L178-Y182 PolarHBondContact O-N 3.39Å
179F93.7Very high92.4Very high84 Ų8483.6 Ų83.637%0.36841%0.414SS..Hα-helixtrans-53.6-51.5175.2178.9-87.9000111.5V50 A175 I177 V181 Y182 C183V50-F179 HydrophobicContact CB-CD1 4.21Å; V50-F179 HydrophobicContact CB-CE1 4.32Å; V50-F179 HydrophobicContact CG1-CD1 4.06Å; V50-F179 HydrophobicContact CG1-CD2 4.36Å; V50-F179 HydrophobicContact CG1-CE1 4.11Å; V50-F179 HydrophobicContact CG1-CE2 4.42Å; V50-F179 HydrophobicContact CG1-CG 4.17Å; V50-F179 HydrophobicContact CG1-CZ 4.29Å; V50-F179 HydrophobicContact CG2-CB 4.29Å; V50-F179 HydrophobicContact CG2-CD1 3.6Å; V50-F179 HydrophobicContact CG2-CE1 4.17Å; V50-F179 HydrophobicContact CG2-CG 4.07Å; A175-F179 WeakPolarHBondContact O-CB 3.13Å; A175-F179 PolarHBondContact O-N 3.08Å; I177-F179 VanDerWaalsContact C-N 3.33Å; I177-F179 PolarHBondContact O-N 3.21Å; F179-V181 PolarHBondContact O-N 3.19Å; F179-Y182 PolarHBondContact O-N 3.08Å; F179-C183 HydrophobicContact CE1-CB 4.47Å; F179-C183 WeakPolarHBondContact O-CB 3.25Å; F179-C183 PolarHBondContact O-N 3.23Å; F179-C183 PolarHBondContact O-SG 3.4Å
180N91.7Very high91.2Very high38 Ų3884.5 Ų84.520%0.20342%0.423CS..Hα-helixtrans-62.7-41.6179.5-81.2-85.4000112.5S49 T176 I177 L178 Y184 C189S49-N180 PolarHBondContact OG-ND2 3.35Å; S49-N180 PolarHBondContact OG-OD1 2.95Å; T176-N180 PolarHBondContact O-N 2.9Å; T176-N180 VanDerWaalsContact O-N 3.11Å; T176-N180 PolarHBondContact O-ND2 3.38Å; I177-N180 PolarHBondContact O-N 3.44Å; L178-N180 VanDerWaalsContact C-N 3.35Å; L178-N180 PolarHBondContact O-N 2.79Å; N180-Y184 WeakPolarHBondContact O-CB 3.46Å; N180-Y184 PolarHBondContact O-N 3.22Å; N180-Y184 VanDerWaalsContact O-N 3.12Å; N180-C189 PolarHBondContact O-SG 2.84Å; N180-C189 VanDerWaalsContact O-SG 3.33Å
181V93Very high89.8Confident85 Ų8581.7 Ų81.752%0.51541%0.413SS..Hα-helixtrans-63.9-44.2177.5170.30000111.3I177 L178 F179 R185I177-V181 HydrophobicContact CG2-CG2 4.36Å; I177-V181 WeakPolarHBondContact O-CG2 3.37Å; I177-V181 PolarHBondContact O-N 3.17Å; L178-V181 PolarHBondContact O-N 3.38Å; F179-V181 PolarHBondContact O-N 3.19Å; V181-R185 WeakPolarHBondContact O-CB 3.49Å; V181-R185 PolarHBondContact O-N 3.15Å
182Y93Very high88.3Confident139 Ų13979.3 Ų79.355%0.54541%0.405SS..Hα-helixtrans-74-43.5-178.3-75.1-65000112.5L178 F179 Y184 R185 I186L178-Y182 HydrophobicContact CB-CD2 4.09Å; L178-Y182 HydrophobicContact CB-CE2 4.05Å; L178-Y182 HydrophobicContact CD2-CE2 3.98Å; L178-Y182 HydrophobicContact CG-CE2 4.45Å; L178-Y182 WeakPolarHBondContact O-CB 3.22Å; L178-Y182 WeakPolarHBondContact O-CD2 3.26Å; L178-Y182 PolarHBondContact O-N 3.39Å; F179-Y182 PolarHBondContact O-N 3.08Å; Y182-Y184 PolarHBondContact O-N 2.84Å; Y182-R185 PolarHBondContact O-N 3.1Å; Y182-I186 WeakPolarHBondContact O-CG1 3.46Å; Y182-I186 PolarHBondContact O-N 2.87Å
183C90.4Very high86.7Confident10 Ų1079.8 Ų79.87%0.06841%0.411CS..Hα-helixtrans-62.5-34.8177.767.80000111.4F179 I186 N187 E188 C189F179-C183 HydrophobicContact CE1-CB 4.47Å; F179-C183 WeakPolarHBondContact O-CB 3.25Å; F179-C183 PolarHBondContact O-N 3.23Å; F179-C183 PolarHBondContact O-SG 3.4Å; C183-I186 WeakPolarHBondContact O-CG1 3.47Å; C183-I186 PolarHBondContact O-N 3.19Å; C183-N187 PolarHBondContact O-N 3.25Å; C183-N187 VanDerWaalsContact O-N 3.17Å; C183-E188 PolarHBondContact O-N 3Å; C183-C189 HydrophobicContact CB-CB 3.95Å; C183-C189 WeakPolarHBondContact CB-SG 3.43Å; C183-C189 PolarHBondContact O-N 3.29Å; C183-C189 WeakPolarHBondContact SG-CA 3.34Å; C183-C189 WeakPolarHBondContact SG-CB 3.49Å; C183-C189 CovalentContact SG-SG 2.04Å; C183-C189 PolarHBondContact SG-SG 3.04Å
184Y86.7Confident85Confident155 Ų15587.5 Ų87.561%0.60844%0.436SS*.Hα-helixtrans-68.5-43.2179.5176-101.4000109.9N180 Y182 I186 N187 C189N180-Y184 WeakPolarHBondContact O-CB 3.46Å; N180-Y184 PolarHBondContact O-N 3.22Å; N180-Y184 VanDerWaalsContact O-N 3.12Å; Y182-Y184 PolarHBondContact O-N 2.84Å; Y184-I186 PolarHBondContact O-N 3.4Å; Y184-N187 PolarHBondContact O-N 2.94Å; Y184-N187 VanDerWaalsContact O-N 3.11Å; Y184-C189 WeakPolarHBondContact CA-SG 3.25Å; Y184-C189 PolarHBondContact N-SG 3.26Å
185R88.3Confident83.1Confident198 Ų19891 Ų9175%0.74745%0.452SS*.Hα-helixtrans-59.9-32.3178.7-174.6178.6-179.5-1750.6113.4V181 Y182V181-R185 WeakPolarHBondContact O-CB 3.49Å; V181-R185 PolarHBondContact O-N 3.15Å; Y182-R185 PolarHBondContact O-N 3.1Å
186I89.4Confident81Confident114 Ų11493 Ų9359%0.58545%0.454SS*.THydrogen-bonded Turntrans-97.34.9179.666.7174.3000113.3Y182 C183 Y184 E188Y182-I186 WeakPolarHBondContact O-CG1 3.46Å; Y182-I186 PolarHBondContact O-N 2.87Å; C183-I186 WeakPolarHBondContact O-CG1 3.47Å; C183-I186 PolarHBondContact O-N 3.19Å; Y184-I186 PolarHBondContact O-N 3.4Å; I186-E188 VanDerWaalsContact C-N 3.26Å; I186-E188 HydrophobicContact CD1-CB 3.88Å; I186-E188 HydrophobicContact CD1-CG 3.94Å; I186-E188 HydrophobicContact CG1-CB 3.81Å; I186-E188 HydrophobicContact CG1-CG 3.92Å; I186-E188 PolarHBondContact O-N 3.47Å
187N81.8Confident78.6Confident147 Ų147101.1 Ų101.179%0.78649%0.491SS*.THydrogen-bonded Turntrans57.731-175-60.6-44.6000114.7C183 Y184C183-N187 PolarHBondContact O-N 3.25Å; C183-N187 VanDerWaalsContact O-N 3.17Å; Y184-N187 PolarHBondContact O-N 2.94Å; Y184-N187 VanDerWaalsContact O-N 3.11Å
188E82.4Confident77.8Confident143 Ų143101.9 Ų101.967%0.66849%0.493SS*.  trans-117.924.6178.5-63.8-83.8-174.300110.9C183 I186 P190C183-E188 PolarHBondContact O-N 3Å; I186-E188 VanDerWaalsContact C-N 3.26Å; I186-E188 HydrophobicContact CD1-CB 3.88Å; I186-E188 HydrophobicContact CD1-CG 3.94Å; I186-E188 HydrophobicContact CG1-CB 3.81Å; I186-E188 HydrophobicContact CG1-CG 3.92Å; I186-E188 PolarHBondContact O-N 3.47Å; E188-P190 VanDerWaalsContact O-CD 3.23Å; E188-P190 WeakPolarHBondContact O-CD 3.38Å
189C79Confident76.8Confident11 Ų11103.1 Ų103.17%0.07450%0.498CS..  trans-80114.8175.1-90.40000110.4N180 C183 Y184 A191 C192N180-C189 PolarHBondContact O-SG 2.84Å; N180-C189 VanDerWaalsContact O-SG 3.33Å; C183-C189 HydrophobicContact CB-CB 3.95Å; C183-C189 WeakPolarHBondContact CB-SG 3.43Å; C183-C189 PolarHBondContact O-N 3.29Å; C183-C189 WeakPolarHBondContact SG-CA 3.34Å; C183-C189 WeakPolarHBondContact SG-CB 3.49Å; C183-C189 CovalentContact SG-SG 2.04Å; C183-C189 PolarHBondContact SG-SG 3.04Å; Y184-C189 WeakPolarHBondContact CA-SG 3.25Å; Y184-C189 PolarHBondContact N-SG 3.26Å; C189-A191 PolarHBondContact O-N 3.28Å; C189-C192 HydrophobicContact CB-CB 3.95Å; C189-C192 PolarHBondContact O-N 2.92Å; C189-C192 VanDerWaalsContact O-N 3.08Å
190P73.6Confident75.9Confident47 Ų47104.2 Ų104.231%0.30551%0.505SS..G310 helixtrans-63.8-29.5176.9-18.432.7000112.1F54 E188 C192 D193F54-P190 HydrophobicContact CE2-CB 4.21Å; F54-P190 HydrophobicContact CZ-CB 3.86Å; E188-P190 VanDerWaalsContact O-CD 3.23Å; E188-P190 WeakPolarHBondContact O-CD 3.38Å; P190-C192 PolarHBondContact O-N 3.15Å; P190-D193 PolarHBondContact O-N 2.85Å
191A68.9Low75Confident37 Ų37108.1 Ų108.131%0.30652%0.523SS..G310 helixtrans-73.1-11.1178.100000114.6C189C189-A191 PolarHBondContact O-N 3.28Å
192C66.5Low73.8Confident60 Ų60109.5 Ų109.541%0.40552%0.523SS..G310 helixtrans-102.8-6.4178.3-61.50000112.8C189 P190 W194C189-C192 HydrophobicContact CB-CB 3.95Å; C189-C192 PolarHBondContact O-N 2.92Å; C189-C192 VanDerWaalsContact O-N 3.08Å; P190-C192 PolarHBondContact O-N 3.15Å; C192-W194 PolarHBondContact O-N 3.25Å
193D64.5Low72.6Confident74 Ų74107.5 Ų107.540%0.39652%0.522SS..  trans-81.496.8177.1-167.6-9.9000109.7P190 D195 I196P190-D193 PolarHBondContact O-N 2.85Å; D193-D195 VanDerWaalsContact C-N 3.34Å; D193-D195 WeakPolarHBondContact OD1-CB 3.19Å; D193-D195 PolarHBondContact OD1-N 3.2Å; D193-D195 VanDerWaalsContact OD1-N 3.1Å; D193-I196 HydrophobicContact CB-CD1 4.42Å; D193-I196 WeakPolarHBondContact OD2-CD1 3.35Å
194W62.3Low71.3Confident180 Ų180114.5 Ų114.568%0.68255%0.554SS**  trans-86.5-6.9177.9-63.693.8000112.7C192 I196C192-W194 PolarHBondContact O-N 3.25Å; W194-I196 PolarHBondContact O-N 3.07Å
195D57.9Low70.1Confident155 Ų155111.4 Ų111.483%0.82955%0.55SS*.THydrogen-bonded Turntrans-77.4-1.5-172.4-67.7-27000112.9D193D193-D195 VanDerWaalsContact C-N 3.34Å; D193-D195 WeakPolarHBondContact OD1-CB 3.19Å; D193-D195 PolarHBondContact OD1-N 3.2Å; D193-D195 VanDerWaalsContact OD1-N 3.1Å
196I52Low68.6Low102 Ų102104.2 Ų104.252%0.52353%0.533SS..THydrogen-bonded Turntrans-1044.7-175.9-24.3-173.8000114.2F54 D193 W194F54-I196 HydrophobicContact CD1-CD1 4.11Å; F54-I196 HydrophobicContact CE1-CD1 3.42Å; F54-I196 VanDerWaalsContact CE1-CD1 3.42Å; F54-I196 HydrophobicContact CE1-CG1 4.43Å; F54-I196 HydrophobicContact CZ-CD1 4.06Å; D193-I196 HydrophobicContact CB-CD1 4.42Å; D193-I196 WeakPolarHBondContact OD2-CD1 3.35Å; W194-I196 PolarHBondContact O-N 3.07Å
197Q44.8Very low66.7Low180 Ų180103.3 Ų103.384%0.84153%0.529SS*.  trans-87.20175.4-66.8-171.5-1.700112.1K126K126-Q197 PolarHBondContact NZ-O 2.86Å

Retrieved 197 of 197 residues in 104.5 ms (Link to these results)

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