A0A5K4F9X1_SCHMA Loading...

Nucleoporin NDC1

AlphaFold DB (A0A5K4FAP7), UniProt , Accession A0A5K4F9X1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 628 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
1M54.9Low76.4Confident112 Ų11265.5 Ų65.555%0.55232%0.316SS*.  0120.70-177.3157.1152.400107.6L5 E6 F9 I260M1-L5 HydrophobicContact CE-CB 4.45Å; M1-L5 HydrophobicContact CE-CD2 4.42Å; M1-L5 HydrophobicContact CE-CG 4.21Å; M1-L5 HydrophobicContact CG-CB 4.07Å; M1-L5 HydrophobicContact CG-CD2 3.77Å; M1-L5 HydrophobicContact CG-CG 4.23Å; M1-L5 HydrophobicContact SD-CD2 4.22Å; M1-E6 VanDerWaalsContact CE-CA 3.48Å; M1-E6 HydrophobicContact CE-CB 3.9Å; M1-E6 WeakPolarHBondContact CE-OE2 3.4Å; M1-F9 HydrophobicContact CE-CB 4.28Å; M1-I260 WeakPolarHBondContact O-CG2 3.05Å
2S68Low77.6Confident68 Ų6868.3 Ų68.348%0.47634%0.34SS..  trans-63.7144.3179.5171.10000110.4I4 L5 E6S2-I4 PolarHBondContact O-N 2.81Å; S2-I4 VanDerWaalsContact O-N 3.14Å; S2-I4 PolarHBondContact OG-N 3.49Å; S2-L5 WeakPolarHBondContact O-CA 3.37Å; S2-L5 WeakPolarHBondContact O-CB 3.5Å; S2-L5 PolarHBondContact O-N 3.25Å; S2-E6 PolarHBondContact O-N 2.98Å
3L67.9Low78.5Confident34 Ų3470.2 Ų70.218%0.17834%0.342CS..Hα-helixtrans-48.2-40173.6-175.875.2000111.5L5 E6 L7 I258 E284 T288L3-L5 VanDerWaalsContact C-N 3.29Å; L3-L5 PolarHBondContact O-N 3.02Å; L3-E6 WeakPolarHBondContact O-CB 3.46Å; L3-E6 PolarHBondContact O-N 3.5Å; L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 3.27Å; L3-I258 HydrophobicContact CD1-CD1 3.81Å; L3-E284 HydrophobicContact CD2-CB 4.13Å; L3-E284 HydrophobicContact CD2-CG 4.28Å; L3-T288 WeakPolarHBondContact CD2-OG1 3.41Å
4I72.3Confident79.3Confident74 Ų7465.2 Ų65.238%0.37932%0.318SS..Hα-helixtrans-60.7-39.4178.7-62.3172.4000111.3S2 R8S2-I4 PolarHBondContact O-N 2.81Å; S2-I4 VanDerWaalsContact O-N 3.14Å; S2-I4 PolarHBondContact OG-N 3.49Å; I4-R8 VanDerWaalsContact O-CG 3.3Å; I4-R8 WeakPolarHBondContact O-CG 3.39Å; I4-R8 PolarHBondContact O-N 2.89Å
5L77.5Confident80.1Confident98 Ų9862.7 Ų62.751%0.51331%0.309SS..Hα-helixtrans-69.7-40179.5-16966.6000111.1M1 S2 L3 R8 F9M1-L5 HydrophobicContact CE-CB 4.45Å; M1-L5 HydrophobicContact CE-CD2 4.42Å; M1-L5 HydrophobicContact CE-CG 4.21Å; M1-L5 HydrophobicContact CG-CB 4.07Å; M1-L5 HydrophobicContact CG-CD2 3.77Å; M1-L5 HydrophobicContact CG-CG 4.23Å; M1-L5 HydrophobicContact SD-CD2 4.22Å; S2-L5 WeakPolarHBondContact O-CA 3.37Å; S2-L5 WeakPolarHBondContact O-CB 3.5Å; S2-L5 PolarHBondContact O-N 3.25Å; L3-L5 VanDerWaalsContact C-N 3.29Å; L3-L5 PolarHBondContact O-N 3.02Å; L5-R8 PolarHBondContact O-N 3.28Å; L5-F9 WeakPolarHBondContact O-CB 3.39Å; L5-F9 PolarHBondContact O-N 3.17Å
6E78.4Confident80.8Confident33 Ų3368.3 Ų68.315%0.15433%0.331CS..Hα-helixtrans-62.3-44.7174.8179.864.1-160.900111.8M1 S2 L3 R8 F9 R10 I260M1-E6 VanDerWaalsContact CE-CA 3.48Å; M1-E6 HydrophobicContact CE-CB 3.9Å; M1-E6 WeakPolarHBondContact CE-OE2 3.4Å; S2-E6 PolarHBondContact O-N 2.98Å; L3-E6 WeakPolarHBondContact O-CB 3.46Å; L3-E6 PolarHBondContact O-N 3.5Å; E6-R8 VanDerWaalsContact C-N 3.32Å; E6-R8 PolarHBondContact O-N 3.23Å; E6-F9 WeakPolarHBondContact O-CB 3.45Å; E6-F9 PolarHBondContact O-N 3.19Å; E6-R10 WeakPolarHBondContact O-CB 3.34Å; E6-R10 WeakPolarHBondContact O-CG 3.48Å; E6-R10 PolarHBondContact O-N 2.96Å; E6-R10 IonicContact OE1-CZ 2.62Å; E6-R10 IonicContact OE1-NE 3.06Å; E6-R10 PolarHBondContact OE1-NE 2.66Å; E6-R10 IonicContact OE1-NH2 3.27Å; E6-R10 PolarHBondContact OE1-NH2 3.26Å; E6-I260 HydrophobicContact CB-CD1 3.74Å; E6-I260 HydrophobicContact CG-CD1 4.02Å
7L78.9Confident81.4Confident7 Ų765.8 Ų65.84%0.03732%0.32CS..Hα-helixtrans-65.2-36.6177.1-63.4174.6000112.3L3 S11 F254 E284 L287L3-L7 HydrophobicContact CG-CD1 4.2Å; L3-L7 VanDerWaalsContact O-CG 3.31Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 3.27Å; L7-S11 WeakPolarHBondContact O-CB 3.33Å; L7-S11 PolarHBondContact O-N 3.08Å; L7-S11 VanDerWaalsContact O-N 3.11Å; L7-F254 HydrophobicContact CB-CE1 4.44Å; L7-F254 HydrophobicContact CD2-CD1 4.04Å; L7-F254 HydrophobicContact CD2-CE1 3.73Å; L7-E284 HydrophobicContact CD1-CG 3.54Å; L7-L287 HydrophobicContact CD1-CD1 4.34Å; L7-L287 HydrophobicContact CD2-CD1 3.32Å; L7-L287 HydrophobicContact CG-CD1 4.45Å
8R84.2Confident81.9Confident155 Ų15562.3 Ų62.359%0.58530%0.303SS*.Hα-helixtrans-64.8-45.1171.9-74.6177.8-177.4-164.31.8111I4 L5 E6 S11 V12I4-R8 VanDerWaalsContact O-CG 3.3Å; I4-R8 WeakPolarHBondContact O-CG 3.39Å; I4-R8 PolarHBondContact O-N 2.89Å; L5-R8 PolarHBondContact O-N 3.28Å; E6-R8 VanDerWaalsContact C-N 3.32Å; E6-R8 PolarHBondContact O-N 3.23Å; R8-S11 WeakPolarHBondContact O-CB 3.35Å; R8-S11 PolarHBondContact O-N 2.77Å; R8-V12 WeakPolarHBondContact O-CG2 3.42Å; R8-V12 PolarHBondContact O-N 3.14Å
9F86.3Confident82.5Confident123 Ų12359.6 Ų59.654%0.53929%0.291SS..Hα-helixtrans-60.2-49.6178.2-178.7-100.7000111.6M1 L5 E6 S11 V12 Y13M1-F9 HydrophobicContact CE-CB 4.28Å; L5-F9 WeakPolarHBondContact O-CB 3.39Å; L5-F9 PolarHBondContact O-N 3.17Å; E6-F9 WeakPolarHBondContact O-CB 3.45Å; E6-F9 PolarHBondContact O-N 3.19Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 3.29Å; F9-V12 PolarHBondContact O-N 3.21Å; F9-V12 VanDerWaalsContact O-N 3.11Å; F9-Y13 WeakPolarHBondContact O-CB 3.36Å; F9-Y13 PolarHBondContact O-N 3.38Å
10R85.9Confident82.9Confident14 Ų1458.6 Ų58.65%0.05330%0.297CS..Hα-helixtrans-56.8-39.7175.9-72.7175.5179.3-148.8-5.5112.6E6 S14 Q253 F254 K256 P257E6-R10 WeakPolarHBondContact O-CB 3.34Å; E6-R10 WeakPolarHBondContact O-CG 3.48Å; E6-R10 PolarHBondContact O-N 2.96Å; E6-R10 IonicContact OE1-CZ 2.62Å; E6-R10 IonicContact OE1-NE 3.06Å; E6-R10 PolarHBondContact OE1-NE 2.66Å; E6-R10 IonicContact OE1-NH2 3.27Å; E6-R10 PolarHBondContact OE1-NH2 3.26Å; R10-S14 WeakPolarHBondContact O-CB 3.15Å; R10-S14 PolarHBondContact O-N 3.37Å; R10-S14 PolarHBondContact O-OG 2.98Å; R10-Q253 HydrophobicContact CB-CB 4.33Å; R10-Q253 WeakPolarHBondContact CD-O 3.36Å; R10-Q253 PolarHBondContact NH1-O 3.22Å; R10-F254 HydrophobicContact CB-CE2 4.47Å; R10-K256 PolarHBondContact NH1-O 2.99Å; R10-K256 PolarHBondContact NH2-O 3.35Å; R10-K256 VanDerWaalsContact NH2-O 3.17Å; R10-P257 PolarHBondContact NH2-O 2.79Å
11S86.2Confident83.3Confident2 Ų257.1 Ų57.11%0.01429%0.29CS..Hα-helixtrans-67.8-40.7175.4173.50000113.8L7 R8 F9 Y13 S14 C15 R75L7-S11 WeakPolarHBondContact O-CB 3.33Å; L7-S11 PolarHBondContact O-N 3.08Å; L7-S11 VanDerWaalsContact O-N 3.11Å; R8-S11 WeakPolarHBondContact O-CB 3.35Å; R8-S11 PolarHBondContact O-N 2.77Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 3.29Å; S11-Y13 VanDerWaalsContact C-N 3.33Å; S11-S14 WeakPolarHBondContact CA-OG 3.45Å; S11-S14 PolarHBondContact O-OG 3.34Å; S11-C15 WeakPolarHBondContact O-CB 3.43Å; S11-C15 PolarHBondContact O-N 3.47Å; S11-C15 VanDerWaalsContact O-N 3.1Å; S11-R75 VanDerWaalsContact CB-CD 3.49Å; S11-R75 VanDerWaalsContact CB-CZ 3.46Å; S11-R75 WeakPolarHBondContact OG-CD 3.35Å; S11-R75 PolarHBondContact OG-NE 3.18Å; S11-R75 PolarHBondContact OG-NH1 3.44Å
12V90.3Very high85Confident100 Ų10051.8 Ų51.861%0.60626%0.263SS*.Hα-helixtrans-67.7-42.7178.1171.90000109.1R8 F9 C15 F16R8-V12 WeakPolarHBondContact O-CG2 3.42Å; R8-V12 PolarHBondContact O-N 3.14Å; F9-V12 PolarHBondContact O-N 3.21Å; F9-V12 VanDerWaalsContact O-N 3.11Å; V12-C15 WeakPolarHBondContact O-CB 3.26Å; V12-C15 PolarHBondContact O-N 3.26Å; V12-F16 PolarHBondContact O-N 3.38Å
13Y89.6Confident86.1Confident93 Ų9350.3 Ų50.337%0.36525%0.252SS..Hα-helixtrans-63.6-42.5177.1-171.1-108.5000112.5F9 S11 C15 F16 L17 Q253F9-Y13 WeakPolarHBondContact O-CB 3.36Å; F9-Y13 PolarHBondContact O-N 3.38Å; S11-Y13 VanDerWaalsContact C-N 3.33Å; Y13-C15 VanDerWaalsContact C-N 3.32Å; Y13-C15 PolarHBondContact O-N 3.23Å; Y13-F16 PolarHBondContact O-N 3.14Å; Y13-L17 HydrophobicContact CD1-CD1 3.81Å; Y13-L17 HydrophobicContact CD1-CG 4.34Å; Y13-L17 HydrophobicContact CE1-CD1 3.3Å; Y13-L17 HydrophobicContact CE1-CG 3.96Å; Y13-L17 HydrophobicContact CE2-CG 4.45Å; Y13-L17 WeakPolarHBondContact O-CG 3.14Å; Y13-L17 PolarHBondContact O-N 3.29Å; Y13-Q253 HydrophobicContact CD1-CG 4.1Å
14S89.2Confident87.2Confident0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-62.9-39.1174.866.60000112R10 S11 S18 L250R10-S14 WeakPolarHBondContact O-CB 3.15Å; R10-S14 PolarHBondContact O-N 3.37Å; R10-S14 PolarHBondContact O-OG 2.98Å; S11-S14 WeakPolarHBondContact CA-OG 3.45Å; S11-S14 PolarHBondContact O-OG 3.34Å; S14-S18 VanDerWaalsContact O-CB 3.31Å; S14-S18 WeakPolarHBondContact O-CB 3.4Å; S14-S18 PolarHBondContact O-N 3.12Å; S14-S18 PolarHBondContact O-OG 3.41Å; S14-L250 WeakPolarHBondContact OG-CD1 3.41Å
15C91.6Very high88.1Confident28 Ų2851.6 Ų51.619%0.18926%0.259CS..Hα-helixtrans-61.1-49.1174.6-175.40000110.8S11 V12 Y13 L17 S18 C19 G68S11-C15 WeakPolarHBondContact O-CB 3.43Å; S11-C15 PolarHBondContact O-N 3.47Å; S11-C15 VanDerWaalsContact O-N 3.1Å; V12-C15 WeakPolarHBondContact O-CB 3.26Å; V12-C15 PolarHBondContact O-N 3.26Å; Y13-C15 VanDerWaalsContact C-N 3.32Å; Y13-C15 PolarHBondContact O-N 3.23Å; C15-L17 PolarHBondContact O-N 3.29Å; C15-S18 PolarHBondContact O-N 2.93Å; C15-C19 WeakPolarHBondContact O-CB 3.49Å; C15-C19 PolarHBondContact O-N 2.92Å; C15-C19 PolarHBondContact O-SG 2.99Å; C15-G68 WeakPolarHBondContact SG-CA 3.25Å
16F92.1Very high88.8Confident151 Ų15147 Ų4766%0.66223%0.234SC*.Hα-helixtrans-58.3-49.6178.6-177.9-97.8000112.3V12 Y13 S18 C19 G20V12-F16 PolarHBondContact O-N 3.38Å; Y13-F16 PolarHBondContact O-N 3.14Å; F16-S18 PolarHBondContact O-N 2.91Å; F16-C19 PolarHBondContact O-N 3.25Å; F16-G20 PolarHBondContact O-N 3.19Å
17L90.5Very high89.3Confident27 Ų2747 Ų4714%0.14124%0.237CC..Hα-helixtrans-61.2-43.5177.5-75.1179.8000112.4Y13 C15 C19 G20 I21 I178 V249Y13-L17 HydrophobicContact CD1-CD1 3.81Å; Y13-L17 HydrophobicContact CD1-CG 4.34Å; Y13-L17 HydrophobicContact CE1-CD1 3.3Å; Y13-L17 HydrophobicContact CE1-CG 3.96Å; Y13-L17 HydrophobicContact CE2-CG 4.45Å; Y13-L17 WeakPolarHBondContact O-CG 3.14Å; Y13-L17 PolarHBondContact O-N 3.29Å; C15-L17 PolarHBondContact O-N 3.29Å; L17-C19 PolarHBondContact O-N 3.3Å; L17-G20 PolarHBondContact O-N 2.65Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.5Å; L17-I21 PolarHBondContact O-N 3.07Å; L17-I178 HydrophobicContact CD1-CD1 3.87Å; L17-I178 HydrophobicContact CD2-CD1 3.99Å; L17-V249 HydrophobicContact CB-CG1 3.76Å; L17-V249 HydrophobicContact CD1-CG1 3.97Å
18S90.6Very high89.7Confident2 Ų251.4 Ų51.41%0.01426%0.26CS..Hα-helixtrans-64.1-41.8179.6-55.30000111.7S14 C15 F16 I21 S22 A246S14-S18 VanDerWaalsContact O-CB 3.31Å; S14-S18 WeakPolarHBondContact O-CB 3.4Å; S14-S18 PolarHBondContact O-N 3.12Å; S14-S18 PolarHBondContact O-OG 3.41Å; C15-S18 PolarHBondContact O-N 2.93Å; F16-S18 PolarHBondContact O-N 2.91Å; S18-I21 PolarHBondContact O-N 3.21Å; S18-S22 WeakPolarHBondContact O-CB 3.23Å; S18-S22 PolarHBondContact O-N 2.9Å; S18-A246 WeakPolarHBondContact OG-CA 3.19Å
19C93Very high89.9Confident11 Ų1144.8 Ų44.87%0.07424%0.236CC..Hα-helixtrans-64.5-41.8174.9-66.10000111.5C15 F16 L17 S22 T23 V64C15-C19 WeakPolarHBondContact O-CB 3.49Å; C15-C19 PolarHBondContact O-N 2.92Å; C15-C19 PolarHBondContact O-SG 2.99Å; F16-C19 PolarHBondContact O-N 3.25Å; L17-C19 PolarHBondContact O-N 3.3Å; C19-S22 PolarHBondContact O-N 3.48Å; C19-T23 VanDerWaalsContact O-CB 3.31Å; C19-T23 WeakPolarHBondContact O-CB 3.14Å; C19-T23 PolarHBondContact O-N 3.02Å; C19-T23 PolarHBondContact O-OG1 3.34Å; C19-V64 HydrophobicContact CB-CG1 3.92Å; C19-V64 HydrophobicContact CB-CG2 4.35Å; C19-V64 PolarHBondContact SG-O 2.77Å; C19-V64 VanDerWaalsContact SG-O 3.41Å
20G91.4Very high89.9Confident40 Ų4039 Ų3941%0.41221%0.21SC..Hα-helixtrans-60.2-47.9175.500000112.6F16 L17 T23 L24F16-G20 PolarHBondContact O-N 3.19Å; L17-G20 PolarHBondContact O-N 2.65Å; G20-T23 PolarHBondContact O-N 3.02Å; G20-L24 VanDerWaalsContact O-CB 3.32Å; G20-L24 WeakPolarHBondContact O-CB 3.5Å; G20-L24 PolarHBondContact O-N 2.91Å
21I90.2Very high89.8Confident27 Ų2740.3 Ų40.314%0.13822%0.217CC..Hα-helixtrans-63.2-45.5178.4-65.9164.5000111.3L17 S18 L24 L25 I178 F241 C245 V249L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.5Å; L17-I21 PolarHBondContact O-N 3.07Å; S18-I21 PolarHBondContact O-N 3.21Å; I21-L24 PolarHBondContact O-N 3.29Å; I21-L25 WeakPolarHBondContact O-CB 3.44Å; I21-L25 PolarHBondContact O-N 3.02Å; I21-I178 HydrophobicContact CD1-CG2 3.78Å; I21-I178 HydrophobicContact CG1-CG2 4.47Å; I21-F241 HydrophobicContact CG2-CE1 3.99Å; I21-C245 HydrophobicContact CG2-CB 4.33Å; I21-V249 HydrophobicContact CD1-CG2 3.9Å
22S91.4Very high89.7Confident0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-64.4-43.6178.5176.40000111.9S18 C19 L25 L26 N63 H238 S242S18-S22 WeakPolarHBondContact O-CB 3.23Å; S18-S22 PolarHBondContact O-N 2.9Å; C19-S22 PolarHBondContact O-N 3.48Å; S22-L25 PolarHBondContact O-N 2.77Å; S22-L26 WeakPolarHBondContact O-CB 3.42Å; S22-L26 PolarHBondContact O-N 2.83Å; S22-N63 PolarHBondContact OG-ND2 2.94Å; S22-H238 PolarHBondContact O-NE2 3.26Å; S22-H238 PolarHBondContact OG-CE1 2.93Å; S22-H238 PolarHBondContact OG-NE2 3.49Å; S22-H238 VanDerWaalsContact OG-NE2 3.08Å; S22-S242 PolarHBondContact OG-OG 3.29Å
23T91.4Very high89.1Confident37 Ų3742 Ų4223%0.22723%0.225CC..Hα-helixtrans-64-44178.4-540000110.9C19 G20 L25 L26 V27 L60 V64C19-T23 VanDerWaalsContact O-CB 3.31Å; C19-T23 WeakPolarHBondContact O-CB 3.14Å; C19-T23 PolarHBondContact O-N 3.02Å; C19-T23 PolarHBondContact O-OG1 3.34Å; G20-T23 PolarHBondContact O-N 3.02Å; T23-L25 PolarHBondContact O-N 3.36Å; T23-L26 PolarHBondContact O-N 2.96Å; T23-V27 HydrophobicContact CG2-CG2 4.47Å; T23-V27 WeakPolarHBondContact O-CB 3.48Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.41Å; T23-V27 PolarHBondContact O-N 3.43Å; T23-L60 HydrophobicContact CG2-CD2 4.44Å; T23-V64 WeakPolarHBondContact OG1-CG2 3.42Å
24L91.2Very high88.5Confident111 Ų11141.4 Ų41.458%0.58123%0.225SC*.Hα-helixtrans-59.8-46.1175.3-178.567000111.3G20 I21 L26 V27 L28G20-L24 VanDerWaalsContact O-CB 3.32Å; G20-L24 WeakPolarHBondContact O-CB 3.5Å; G20-L24 PolarHBondContact O-N 2.91Å; I21-L24 PolarHBondContact O-N 3.29Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 PolarHBondContact O-N 3.22Å; L24-V27 PolarHBondContact O-N 3.08Å; L24-L28 HydrophobicContact CG-CD1 4.2Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 VanDerWaalsContact O-CG 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 2.64Å
25L91.1Very high87.9Confident25 Ų2546.2 Ų46.213%0.13125%0.25CC..Hα-helixtrans-59.8-44.7177179.365.9000111.5I21 S22 T23 L28 M29 F237 F241I21-L25 WeakPolarHBondContact O-CB 3.44Å; I21-L25 PolarHBondContact O-N 3.02Å; S22-L25 PolarHBondContact O-N 2.77Å; T23-L25 PolarHBondContact O-N 3.36Å; L25-L28 WeakPolarHBondContact O-CB 3.35Å; L25-L28 PolarHBondContact O-N 3.43Å; L25-M29 HydrophobicContact CD1-CE 3.89Å; L25-M29 HydrophobicContact CD2-CE 3.84Å; L25-M29 HydrophobicContact CG-CE 3.73Å; L25-M29 HydrophobicContact CG-SD 4.32Å; L25-M29 VanDerWaalsContact O-CG 3.31Å; L25-M29 WeakPolarHBondContact O-CG 3.27Å; L25-M29 PolarHBondContact O-N 3.22Å; L25-F237 HydrophobicContact CD1-CE1 4.42Å; L25-F241 HydrophobicContact CD2-CB 4.11Å; L25-F241 HydrophobicContact CD2-CD1 3.33Å; L25-F241 HydrophobicContact CD2-CE1 3.89Å; L25-F241 HydrophobicContact CD2-CG 3.9Å; L25-F241 HydrophobicContact CG-CD1 4.5Å
26L90.4Very high86.9Confident0 Ų046.2 Ų46.20%026%0.255CS..Hα-helixtrans-66.2-40.9-178.4-172.256.6000111.8S22 T23 L24 M29 V30 L60 N63 V118 L121S22-L26 WeakPolarHBondContact O-CB 3.42Å; S22-L26 PolarHBondContact O-N 2.83Å; T23-L26 PolarHBondContact O-N 2.96Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 PolarHBondContact O-N 3.22Å; L26-M29 WeakPolarHBondContact O-CB 3.45Å; L26-M29 PolarHBondContact O-N 3.06Å; L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.14Å; L26-L60 HydrophobicContact CD2-CD2 3.77Å; L26-L60 HydrophobicContact CG-CD2 4.22Å; L26-N63 HydrophobicContact CD2-CB 4.26Å; L26-V118 HydrophobicContact CD1-CB 4.45Å; L26-V118 HydrophobicContact CD1-CG1 3.84Å; L26-V118 HydrophobicContact CD1-CG2 4.17Å; L26-L121 HydrophobicContact CD1-CD2 3.81Å; L26-L121 HydrophobicContact CD2-CD2 3.52Å; L26-L121 HydrophobicContact CG-CD2 3.42Å; L26-L121 VanDerWaalsContact CG-CD2 3.42Å
27V89.1Confident85.9Confident35 Ų3547.2 Ų47.221%0.21227%0.266CS..Hα-helixtrans-60.8-47172.3169.10000110.5T23 L24 M29 V30 F31 L51T23-V27 HydrophobicContact CG2-CG2 4.47Å; T23-V27 WeakPolarHBondContact O-CB 3.48Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.41Å; T23-V27 PolarHBondContact O-N 3.43Å; L24-V27 PolarHBondContact O-N 3.08Å; V27-M29 VanDerWaalsContact C-N 3.27Å; V27-M29 PolarHBondContact O-N 3.35Å; V27-V30 PolarHBondContact O-N 3.23Å; V27-V30 VanDerWaalsContact O-N 3.14Å; V27-F31 HydrophobicContact CG1-CD2 3.65Å; V27-F31 HydrophobicContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact CG1-CE2 3.48Å; V27-F31 WeakPolarHBondContact O-CD2 3.43Å; V27-F31 PolarHBondContact O-N 3.24Å; V27-L51 HydrophobicContact CG1-CD1 4.02Å
28L88.4Confident84.9Confident99 Ų9951.5 Ų51.552%0.51830%0.297SS..Hα-helixtrans-59.5-37.1175.6-71.9171.3000112.3L24 L25 F31 S32L24-L28 HydrophobicContact CG-CD1 4.2Å; L24-L28 WeakPolarHBondContact O-CB 3.45Å; L24-L28 VanDerWaalsContact O-CG 3.26Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 2.64Å; L25-L28 WeakPolarHBondContact O-CB 3.35Å; L25-L28 PolarHBondContact O-N 3.43Å; L28-F31 PolarHBondContact O-N 2.98Å; L28-S32 WeakPolarHBondContact O-CB 3.49Å; L28-S32 PolarHBondContact O-N 3.16Å
29M87.8Confident83.8Confident15 Ų1553.9 Ų53.97%0.07432%0.317CS..Hα-helixtrans-65.2-42.4174.9-73.2175.417500112.1L25 L26 V27 S32 Q33 L122 I234 F237 H238L25-M29 HydrophobicContact CD1-CE 3.89Å; L25-M29 HydrophobicContact CD2-CE 3.84Å; L25-M29 HydrophobicContact CG-CE 3.73Å; L25-M29 HydrophobicContact CG-SD 4.32Å; L25-M29 VanDerWaalsContact O-CG 3.31Å; L25-M29 WeakPolarHBondContact O-CG 3.27Å; L25-M29 PolarHBondContact O-N 3.22Å; L26-M29 WeakPolarHBondContact O-CB 3.45Å; L26-M29 PolarHBondContact O-N 3.06Å; V27-M29 VanDerWaalsContact C-N 3.27Å; V27-M29 PolarHBondContact O-N 3.35Å; M29-S32 WeakPolarHBondContact CA-OG 3.23Å; M29-S32 PolarHBondContact O-N 3.49Å; M29-S32 PolarHBondContact O-OG 2.87Å; M29-Q33 PolarHBondContact O-N 2.92Å; M29-Q33 VanDerWaalsContact O-N 3.16Å; M29-L122 HydrophobicContact CB-CD2 4.09Å; M29-I234 HydrophobicContact CE-CG2 4.32Å; M29-I234 HydrophobicContact CG-CG2 4.27Å; M29-I234 HydrophobicContact SD-CG2 3.7Å; M29-F237 HydrophobicContact CE-CD1 3.36Å; M29-F237 HydrophobicContact CE-CE1 3.68Å; M29-H238 HydrophobicContact CE-CB 3.87Å; M29-H238 HydrophobicContact SD-CB 3.85Å
30V86.5Confident83Confident1 Ų157.3 Ų57.31%0.00634%0.339CS..Hα-helixtrans-61.3-47.5174.81750000110.2L26 V27 S32 Q33 H34 T47 L51 L121 L122L26-V30 WeakPolarHBondContact O-CG2 3.36Å; L26-V30 PolarHBondContact O-N 3.14Å; V27-V30 PolarHBondContact O-N 3.23Å; V27-V30 VanDerWaalsContact O-N 3.14Å; V30-S32 VanDerWaalsContact C-N 3.28Å; V30-S32 PolarHBondContact O-N 3.42Å; V30-Q33 PolarHBondContact O-N 2.73Å; V30-Q33 VanDerWaalsContact O-N 3.15Å; V30-H34 PolarHBondContact O-CD2 3.27Å; V30-H34 PolarHBondContact O-N 2.89Å; V30-T47 HydrophobicContact CG1-CG2 3.76Å; V30-L51 HydrophobicContact CB-CD2 4.16Å; V30-L51 HydrophobicContact CG1-CD2 3.89Å; V30-L51 HydrophobicContact CG1-CG 4.16Å; V30-L51 HydrophobicContact CG2-CD2 4.12Å; V30-L121 HydrophobicContact CG2-CD2 3.98Å; V30-L121 HydrophobicContact CG2-CG 4.15Å; V30-L122 HydrophobicContact CG2-CD2 3.8Å
31F84.4Confident82.4Confident43 Ų4365 Ų6519%0.18936%0.355CS..Hα-helixtrans-57.2-40.9173.9-81.7-72.9000112.4V27 L28 Q33 H34 I35 W43 I44 T47 F48 L51V27-F31 HydrophobicContact CG1-CD2 3.65Å; V27-F31 HydrophobicContact CG1-CE2 3.48Å; V27-F31 VanDerWaalsContact CG1-CE2 3.48Å; V27-F31 WeakPolarHBondContact O-CD2 3.43Å; V27-F31 PolarHBondContact O-N 3.24Å; L28-F31 PolarHBondContact O-N 2.98Å; F31-Q33 VanDerWaalsContact C-N 3.26Å; F31-Q33 PolarHBondContact O-N 3.09Å; F31-H34 PolarHBondContact O-N 3.19Å; F31-I35 WeakPolarHBondContact O-CG1 3.48Å; F31-I35 PolarHBondContact O-N 3.1Å; F31-W43 HydrophobicContact CD1-CZ3 4.08Å; F31-I44 HydrophobicContact CE1-CG2 4.12Å; F31-T47 HydrophobicContact CD1-CG2 3.84Å; F31-T47 HydrophobicContact CE1-CG2 3.98Å; F31-T47 HydrophobicContact CG-CG2 4.27Å; F31-F48 HydrophobicContact CZ-CD2 4.47Å; F31-L51 HydrophobicContact CD2-CD1 4.45Å; F31-L51 HydrophobicContact CE2-CD1 3.81Å; F31-L51 HydrophobicContact CZ-CD1 4.18Å
32S82.9Confident81.8Confident63 Ų6370.9 Ų70.944%0.44138%0.38SS..Hα-helixtrans-64.8-27.6-18075.90000114.1L28 M29 V30L28-S32 WeakPolarHBondContact O-CB 3.49Å; L28-S32 PolarHBondContact O-N 3.16Å; M29-S32 WeakPolarHBondContact CA-OG 3.23Å; M29-S32 PolarHBondContact O-N 3.49Å; M29-S32 PolarHBondContact O-OG 2.87Å; V30-S32 VanDerWaalsContact C-N 3.28Å; V30-S32 PolarHBondContact O-N 3.42Å
33Q79.2Confident81.3Confident73 Ų7373.2 Ų73.234%0.34139%0.389SS..Hα-helixtrans-78.4-27.3178.2-72.8-173.2-25.900113.1M29 V30 F31 L122M29-Q33 PolarHBondContact O-N 2.92Å; M29-Q33 VanDerWaalsContact O-N 3.16Å; V30-Q33 PolarHBondContact O-N 2.73Å; V30-Q33 VanDerWaalsContact O-N 3.15Å; F31-Q33 VanDerWaalsContact C-N 3.26Å; F31-Q33 PolarHBondContact O-N 3.09Å; Q33-L122 VanDerWaalsContact OE1-CD2 3.26Å; Q33-L122 PolarHBondContact OE1-O 2.87Å; Q33-L122 VanDerWaalsContact OE1-O 3.09Å
34H76Confident80.8Confident81 Ų8173.8 Ų73.838%0.37539%0.391SS..SBendtrans-98.49.8-178-71.7-76.1000113.7V30 F31 G36 W43 T47 D50V30-H34 PolarHBondContact O-CD2 3.27Å; V30-H34 PolarHBondContact O-N 2.89Å; F31-H34 PolarHBondContact O-N 3.19Å; H34-G36 PolarHBondContact O-N 3.41Å; H34-W43 HydrophobicContact CB-CE3 4.34Å; H34-W43 VanDerWaalsContact O-CE3 3.24Å; H34-T47 HydrophobicContact CB-CG2 4.21Å; H34-T47 WeakPolarHBondContact CB-OG1 3.38Å; H34-D50 IonicContact NE2-OD2 3.49Å
35I76.8Confident80.5Confident102 Ų10271.4 Ų71.452%0.52338%0.383SS..  trans-59.6101.7178.4-61.9177.1000109.3F31 W43F31-I35 WeakPolarHBondContact O-CG1 3.48Å; F31-I35 PolarHBondContact O-N 3.1Å; I35-W43 HydrophobicContact CB-CH2 4.48Å; I35-W43 HydrophobicContact CG1-CH2 3.92Å; I35-W43 HydrophobicContact CG1-CZ2 4.46Å; I35-W43 HydrophobicContact CG1-CZ3 4.16Å; I35-W43 HydrophobicContact CG2-CZ2 4.42Å
36G69.8Low80Confident28 Ų2874.9 Ų74.929%0.28940%0.402SS..  trans-90.8125.3165.900000109.5H34 C38 W43H34-G36 PolarHBondContact O-N 3.41Å; G36-C38 PolarHBondContact O-N 3.23Å; G36-W43 PolarHBondContact O-NE1 3.04Å
37L72Confident79.5Confident171 Ų17175 Ų7590%0.89540%0.403SS*.SBendtrans-69.1-22.7173.7-69.2173.1000112.1
38C70Confident79.2Confident117 Ų11778.5 Ų78.579%0.79142%0.415SS*.SBendtrans-97127177.4-61.20000110.4G36G36-C38 PolarHBondContact O-N 3.23Å
39A67.8Low79Confident52 Ų5278.9 Ų78.943%0.4342%0.417SS..  trans59.876.5176.900000114.6W41 F42A39-W41 PolarHBondContact O-N 3.04Å; A39-W41 VanDerWaalsContact O-N 3.09Å; A39-F42 HydrophobicContact CB-CB 4.43Å; A39-F42 HydrophobicContact CB-CD2 3.95Å; A39-F42 PolarHBondContact O-N 3.25Å; A39-F42 VanDerWaalsContact O-N 3.14Å
40P74.8Confident78.7Confident84 Ų8480 Ų8055%0.54542%0.423SS..Hα-helixtrans-55.4-35.6-172.620.1-31.8000114W43 I44P40-W43 VanDerWaalsContact CA-NE1 3.29Å; P40-W43 PolarHBondContact O-NE1 2.94Å; P40-I44 VanDerWaalsContact O-CD1 3.25Å; P40-I44 WeakPolarHBondContact O-CD1 3.42Å; P40-I44 WeakPolarHBondContact O-CG1 3.01Å; P40-I44 PolarHBondContact O-N 2.97Å
41W79.4Confident78.5Confident200 Ų20080.6 Ų80.676%0.75843%0.427SS*.Hα-helixtrans-70.2-35.6-177.8-96.7154.8000114.9A39 I44 S45A39-W41 PolarHBondContact O-N 3.04Å; A39-W41 VanDerWaalsContact O-N 3.09Å; W41-I44 HydrophobicContact CE3-CB 4.07Å; W41-I44 HydrophobicContact CE3-CD1 3.99Å; W41-I44 HydrophobicContact CE3-CG2 4.13Å; W41-I44 HydrophobicContact CZ3-CB 4.3Å; W41-I44 HydrophobicContact CZ3-CD1 3.96Å; W41-I44 HydrophobicContact CZ3-CG2 3.89Å; W41-S45 WeakPolarHBondContact O-CB 3.26Å; W41-S45 PolarHBondContact O-N 2.66Å
42F78.5Confident78.5Confident151 Ų15184.5 Ų84.566%0.66244%0.444SS*.Hα-helixtrans-67.9-50.5-176.1-83.5-81.9000111A39 I44 S45 D46A39-F42 HydrophobicContact CB-CB 4.43Å; A39-F42 HydrophobicContact CB-CD2 3.95Å; A39-F42 PolarHBondContact O-N 3.25Å; A39-F42 VanDerWaalsContact O-N 3.14Å; F42-I44 VanDerWaalsContact C-N 3.33Å; F42-I44 PolarHBondContact O-N 3.43Å; F42-S45 PolarHBondContact O-N 2.85Å; F42-D46 WeakPolarHBondContact O-CB 3.34Å; F42-D46 VanDerWaalsContact O-CG 3.27Å; F42-D46 PolarHBondContact O-N 2.87Å
43W80.7Confident78.6Confident49 Ų4985.3 Ų85.319%0.18644%0.442CS..Hα-helixtrans-67.6-33.4-179.870.6-99.4000112.5F31 H34 I35 G36 P40 T47F31-W43 HydrophobicContact CD1-CZ3 4.08Å; H34-W43 HydrophobicContact CB-CE3 4.34Å; H34-W43 VanDerWaalsContact O-CE3 3.24Å; I35-W43 HydrophobicContact CB-CH2 4.48Å; I35-W43 HydrophobicContact CG1-CH2 3.92Å; I35-W43 HydrophobicContact CG1-CZ2 4.46Å; I35-W43 HydrophobicContact CG1-CZ3 4.16Å; I35-W43 HydrophobicContact CG2-CZ2 4.42Å; G36-W43 PolarHBondContact O-NE1 3.04Å; P40-W43 VanDerWaalsContact CA-NE1 3.29Å; P40-W43 PolarHBondContact O-NE1 2.94Å; W43-T47 VanDerWaalsContact O-CB 3.24Å; W43-T47 WeakPolarHBondContact O-CB 3.46Å; W43-T47 PolarHBondContact O-N 3.35Å; W43-T47 PolarHBondContact O-OG1 3.05Å
44I81.2Confident79Confident50 Ų5087.6 Ų87.626%0.25646%0.461SS..Hα-helixtrans-64.5-46.8174.8-67.4167.5000110.3F31 P40 W41 F42 T47 F48F31-I44 HydrophobicContact CE1-CG2 4.12Å; P40-I44 VanDerWaalsContact O-CD1 3.25Å; P40-I44 WeakPolarHBondContact O-CD1 3.42Å; P40-I44 WeakPolarHBondContact O-CG1 3.01Å; P40-I44 PolarHBondContact O-N 2.97Å; W41-I44 HydrophobicContact CE3-CB 4.07Å; W41-I44 HydrophobicContact CE3-CD1 3.99Å; W41-I44 HydrophobicContact CE3-CG2 4.13Å; W41-I44 HydrophobicContact CZ3-CB 4.3Å; W41-I44 HydrophobicContact CZ3-CD1 3.96Å; W41-I44 HydrophobicContact CZ3-CG2 3.89Å; F42-I44 VanDerWaalsContact C-N 3.33Å; F42-I44 PolarHBondContact O-N 3.43Å; I44-T47 PolarHBondContact O-N 3.38Å; I44-F48 VanDerWaalsContact O-CB 3.24Å; I44-F48 WeakPolarHBondContact O-CB 3.27Å; I44-F48 PolarHBondContact O-N 3.07Å
45S82.9Confident79.4Confident61 Ų6187.1 Ų87.143%0.42747%0.467SS..Hα-helixtrans-62.3-45.4178-1770000111.6W41 F42 F48 L49W41-S45 WeakPolarHBondContact O-CB 3.26Å; W41-S45 PolarHBondContact O-N 2.66Å; F42-S45 PolarHBondContact O-N 2.85Å; S45-F48 PolarHBondContact O-N 3.27Å; S45-L49 WeakPolarHBondContact O-CB 3.35Å; S45-L49 WeakPolarHBondContact O-CG 3.33Å; S45-L49 PolarHBondContact O-N 2.63Å
46D81.7Confident79.9Confident98 Ų9882.8 Ų82.852%0.52444%0.444SS..Hα-helixtrans-64.3-44.1179.1-70.9-16.6000111.3F42 F48 L49 D50F42-D46 WeakPolarHBondContact O-CB 3.34Å; F42-D46 VanDerWaalsContact O-CG 3.27Å; F42-D46 PolarHBondContact O-N 2.87Å; D46-F48 VanDerWaalsContact C-N 3.32Å; D46-F48 PolarHBondContact O-N 3.03Å; D46-L49 PolarHBondContact O-N 2.98Å; D46-D50 WeakPolarHBondContact O-CB 3.39Å; D46-D50 PolarHBondContact O-N 3.17Å
47T80.5Confident80.8Confident3 Ų384.5 Ų84.52%0.01845%0.446CS..Hα-helixtrans-64.3-39.3176.6-530000111.4V30 F31 H34 W43 I44 D50 L51V30-T47 HydrophobicContact CG1-CG2 3.76Å; F31-T47 HydrophobicContact CD1-CG2 3.84Å; F31-T47 HydrophobicContact CE1-CG2 3.98Å; F31-T47 HydrophobicContact CG-CG2 4.27Å; H34-T47 HydrophobicContact CB-CG2 4.21Å; H34-T47 WeakPolarHBondContact CB-OG1 3.38Å; W43-T47 VanDerWaalsContact O-CB 3.24Å; W43-T47 WeakPolarHBondContact O-CB 3.46Å; W43-T47 PolarHBondContact O-N 3.35Å; W43-T47 PolarHBondContact O-OG1 3.05Å; I44-T47 PolarHBondContact O-N 3.38Å; T47-D50 PolarHBondContact O-N 2.84Å; T47-L51 WeakPolarHBondContact O-CG 3.4Å; T47-L51 PolarHBondContact O-N 3.21Å
48F82.6Confident81.7Confident107 Ų10782.9 Ų82.947%0.46943%0.433SS..Hα-helixtrans-63.2-51.1176.5-173.8-96.2000110.4F31 I44 S45 D46 D50 L51 F52F31-F48 HydrophobicContact CZ-CD2 4.47Å; I44-F48 VanDerWaalsContact O-CB 3.24Å; I44-F48 WeakPolarHBondContact O-CB 3.27Å; I44-F48 PolarHBondContact O-N 3.07Å; S45-F48 PolarHBondContact O-N 3.27Å; D46-F48 VanDerWaalsContact C-N 3.32Å; D46-F48 PolarHBondContact O-N 3.03Å; F48-D50 VanDerWaalsContact C-N 3.29Å; F48-D50 PolarHBondContact O-N 2.95Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 2.84Å; F48-L51 VanDerWaalsContact O-N 3.17Å; F48-F52 HydrophobicContact CD1-CD2 4.03Å; F48-F52 AromaticContact CD1-CE2 3.96Å; F48-F52 HydrophobicContact CD1-CE2 3.96Å; F48-F52 HydrophobicContact CD2-CE2 4.2Å; F48-F52 AromaticContact CE1-CD2 3.85Å; F48-F52 HydrophobicContact CE1-CD2 3.85Å; F48-F52 AromaticContact CE1-CE2 3.42Å; F48-F52 HydrophobicContact CE1-CE2 3.42Å; F48-F52 VanDerWaalsContact CE1-CE2 3.42Å; F48-F52 HydrophobicContact CE1-CZ 4.32Å; F48-F52 AromaticContact CE2-CE2 3.7Å; F48-F52 HydrophobicContact CE2-CE2 3.7Å; F48-F52 HydrophobicContact CE2-CZ 4.49Å; F48-F52 HydrophobicContact CG-CE2 4.33Å; F48-F52 HydrophobicContact CZ-CD2 4.18Å; F48-F52 AromaticContact CZ-CE2 3.29Å; F48-F52 HydrophobicContact CZ-CE2 3.29Å; F48-F52 AromaticContact CZ-CZ 3.96Å; F48-F52 HydrophobicContact CZ-CZ 3.96Å; F48-F52 VanDerWaalsContact O-CD2 3.26Å; F48-F52 WeakPolarHBondContact O-CD2 3.09Å; F48-F52 PolarHBondContact O-N 3.47Å
49L83.6Confident82.7Confident107 Ų10778.8 Ų78.856%0.5640%0.402SS*.Hα-helixtrans-60.7-38.7177-71.1171.9000112.5S45 D46 L51 F52 I53S45-L49 WeakPolarHBondContact O-CB 3.35Å; S45-L49 WeakPolarHBondContact O-CG 3.33Å; S45-L49 PolarHBondContact O-N 2.63Å; D46-L49 PolarHBondContact O-N 2.98Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.37Å; L49-F52 PolarHBondContact O-N 3.05Å; L49-I53 PolarHBondContact O-N 2.89Å
50D81.6Confident83.7Confident39 Ų3977.5 Ų77.521%0.20939%0.388CS..Hα-helixtrans-63.5-36.9176.8-178.740.8000112.1H34 D46 T47 F48 F52 I53 K56H34-D50 IonicContact NE2-OD2 3.49Å; D46-D50 WeakPolarHBondContact O-CB 3.39Å; D46-D50 PolarHBondContact O-N 3.17Å; T47-D50 PolarHBondContact O-N 2.84Å; F48-D50 VanDerWaalsContact C-N 3.29Å; F48-D50 PolarHBondContact O-N 2.95Å; D50-F52 PolarHBondContact O-N 3.42Å; D50-I53 WeakPolarHBondContact O-CB 3.33Å; D50-I53 VanDerWaalsContact O-CG1 3.3Å; D50-I53 WeakPolarHBondContact O-CG1 3.39Å; D50-I53 PolarHBondContact O-N 3.43Å; D50-I53 WeakPolarHBondContact OD1-CD1 3.35Å; D50-K56 WeakPolarHBondContact O-CD 3.37Å; D50-K56 WeakPolarHBondContact OD1-CE 3.47Å; D50-K56 IonicContact OD1-NZ 2.72Å; D50-K56 PolarHBondContact OD1-NZ 3.09Å; D50-K56 VanDerWaalsContact OD1-NZ 3.12Å; D50-K56 WeakPolarHBondContact OD2-CE 3.24Å; D50-K56 IonicContact OD2-NZ 3.42Å; D50-K56 PolarHBondContact OD2-NZ 2.83Å
51L81.9Confident84.6Confident14 Ų1477.9 Ų77.97%0.07339%0.385CS..Hα-helixtrans-64-27.8171.8-75.9168.8000113.2V27 V30 F31 T47 F48 L49 I53 L60V27-L51 HydrophobicContact CG1-CD1 4.02Å; V30-L51 HydrophobicContact CB-CD2 4.16Å; V30-L51 HydrophobicContact CG1-CD2 3.89Å; V30-L51 HydrophobicContact CG1-CG 4.16Å; V30-L51 HydrophobicContact CG2-CD2 4.12Å; F31-L51 HydrophobicContact CD2-CD1 4.45Å; F31-L51 HydrophobicContact CE2-CD1 3.81Å; F31-L51 HydrophobicContact CZ-CD1 4.18Å; T47-L51 WeakPolarHBondContact O-CG 3.4Å; T47-L51 PolarHBondContact O-N 3.21Å; F48-L51 WeakPolarHBondContact O-CB 3.48Å; F48-L51 PolarHBondContact O-N 2.84Å; F48-L51 VanDerWaalsContact O-N 3.17Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 3.37Å; L51-I53 VanDerWaalsContact C-N 3.31Å; L51-L60 HydrophobicContact CD2-CD1 4.48Å
52F84.5Confident85.2Confident124 Ų12472 Ų7254%0.54437%0.365SS..THydrogen-bonded Turntrans-85.22.8177.2-79.5-83.6000114.2F48 L49 D50 T54 I57F48-F52 HydrophobicContact CD1-CD2 4.03Å; F48-F52 AromaticContact CD1-CE2 3.96Å; F48-F52 HydrophobicContact CD1-CE2 3.96Å; F48-F52 HydrophobicContact CD2-CE2 4.2Å; F48-F52 AromaticContact CE1-CD2 3.85Å; F48-F52 HydrophobicContact CE1-CD2 3.85Å; F48-F52 AromaticContact CE1-CE2 3.42Å; F48-F52 HydrophobicContact CE1-CE2 3.42Å; F48-F52 VanDerWaalsContact CE1-CE2 3.42Å; F48-F52 HydrophobicContact CE1-CZ 4.32Å; F48-F52 AromaticContact CE2-CE2 3.7Å; F48-F52 HydrophobicContact CE2-CE2 3.7Å; F48-F52 HydrophobicContact CE2-CZ 4.49Å; F48-F52 HydrophobicContact CG-CE2 4.33Å; F48-F52 HydrophobicContact CZ-CD2 4.18Å; F48-F52 AromaticContact CZ-CE2 3.29Å; F48-F52 HydrophobicContact CZ-CE2 3.29Å; F48-F52 AromaticContact CZ-CZ 3.96Å; F48-F52 HydrophobicContact CZ-CZ 3.96Å; F48-F52 VanDerWaalsContact O-CD2 3.26Å; F48-F52 WeakPolarHBondContact O-CD2 3.09Å; F48-F52 PolarHBondContact O-N 3.47Å; L49-F52 PolarHBondContact O-N 3.05Å; D50-F52 PolarHBondContact O-N 3.42Å; F52-T54 PolarHBondContact O-N 3.46Å; F52-I57 HydrophobicContact CD1-CD1 4.19Å; F52-I57 WeakPolarHBondContact O-CD1 3.44Å
53I86.4Confident85.8Confident81 Ų8164.9 Ų64.942%0.41533%0.333SS..SBendtrans-63.3131.3169.5-62176000108.9L49 D50 L51 S55 K56 I57L49-I53 PolarHBondContact O-N 2.89Å; D50-I53 WeakPolarHBondContact O-CB 3.33Å; D50-I53 VanDerWaalsContact O-CG1 3.3Å; D50-I53 WeakPolarHBondContact O-CG1 3.39Å; D50-I53 PolarHBondContact O-N 3.43Å; D50-I53 WeakPolarHBondContact OD1-CD1 3.35Å; L51-I53 VanDerWaalsContact C-N 3.31Å; I53-S55 WeakPolarHBondContact CG2-OG 3.48Å; I53-S55 PolarHBondContact O-N 3.48Å; I53-K56 HydrophobicContact CB-CG 4.47Å; I53-K56 WeakPolarHBondContact O-CA 3.09Å; I53-K56 PolarHBondContact O-N 2.93Å; I53-I57 PolarHBondContact O-N 3.48Å
54T86.1Confident86.4Confident120 Ų12065 Ų6574%0.73634%0.34SS*.Hα-helixtrans-50.3-37.1-175.4-46.60000113.3F52 F58F52-T54 PolarHBondContact O-N 3.46Å; T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 3.5Å
55S85.7Confident87Confident72 Ų7266.7 Ų66.750%0.50335%0.348SS..Hα-helixtrans-66.4-39.2177.163.60000112.9I53 F58 L59I53-S55 WeakPolarHBondContact CG2-OG 3.48Å; I53-S55 PolarHBondContact O-N 3.48Å; S55-F58 PolarHBondContact O-N 3.24Å; S55-L59 WeakPolarHBondContact O-CG 3.46Å; S55-L59 PolarHBondContact O-N 3.33Å; S55-L59 VanDerWaalsContact O-N 3.1Å
56K86.9Confident87.5Confident10 Ų1064 Ų644%0.04333%0.329CS..Hα-helixtrans-73.2-40.1177.5-64.5-152.4-170.6-169.20111.7D50 I53 F58 L59 L60 L121D50-K56 WeakPolarHBondContact O-CD 3.37Å; D50-K56 WeakPolarHBondContact OD1-CE 3.47Å; D50-K56 IonicContact OD1-NZ 2.72Å; D50-K56 PolarHBondContact OD1-NZ 3.09Å; D50-K56 VanDerWaalsContact OD1-NZ 3.12Å; D50-K56 WeakPolarHBondContact OD2-CE 3.24Å; D50-K56 IonicContact OD2-NZ 3.42Å; D50-K56 PolarHBondContact OD2-NZ 2.83Å; I53-K56 HydrophobicContact CB-CG 4.47Å; I53-K56 WeakPolarHBondContact O-CA 3.09Å; I53-K56 PolarHBondContact O-N 2.93Å; K56-F58 VanDerWaalsContact C-N 3.29Å; K56-F58 PolarHBondContact O-N 3.05Å; K56-L59 PolarHBondContact O-N 2.61Å; K56-L59 VanDerWaalsContact O-N 3.16Å; K56-L60 WeakPolarHBondContact O-CG 3.45Å; K56-L60 PolarHBondContact O-N 2.75Å; K56-L121 HydrophobicContact CB-CD1 3.71Å; K56-L121 HydrophobicContact CD-CD1 3.92Å; K56-L121 HydrophobicContact CG-CD1 3.94Å
57I88.4Confident88Confident64 Ų6459.3 Ų59.333%0.32830%0.304SS..Hα-helixtrans-57.2-45.6172.1-63.2175.8000110.2F52 I53 L59 L60 I61F52-I57 HydrophobicContact CD1-CD1 4.19Å; F52-I57 WeakPolarHBondContact O-CD1 3.44Å; I53-I57 PolarHBondContact O-N 3.48Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 2.65Å; I57-L60 PolarHBondContact O-N 2.84Å; I57-I61 HydrophobicContact CG2-CD1 3.92Å; I57-I61 HydrophobicContact CG2-CG1 4.48Å; I57-I61 WeakPolarHBondContact O-CG1 3.4Å; I57-I61 PolarHBondContact O-N 3.15Å
58F90.4Very high88.6Confident138 Ų13859.5 Ų59.561%0.60531%0.306SS*.Hα-helixtrans-61.2-41.7177-175.4-96000112.4T54 S55 K56 I61 F62T54-F58 WeakPolarHBondContact O-CB 3.37Å; T54-F58 PolarHBondContact O-N 3.5Å; S55-F58 PolarHBondContact O-N 3.24Å; K56-F58 VanDerWaalsContact C-N 3.29Å; K56-F58 PolarHBondContact O-N 3.05Å; F58-I61 PolarHBondContact O-N 3.48Å; F58-F62 WeakPolarHBondContact O-CB 3.49Å; F58-F62 PolarHBondContact O-N 3Å
59L90.5Very high89Confident30 Ų3058.4 Ų58.416%0.15731%0.305CS..Hα-helixtrans-64.2-38.6175.2-70.6171000112.5S55 K56 I57 F62 N63 V117 K120 L121S55-L59 WeakPolarHBondContact O-CG 3.46Å; S55-L59 PolarHBondContact O-N 3.33Å; S55-L59 VanDerWaalsContact O-N 3.1Å; K56-L59 PolarHBondContact O-N 2.61Å; K56-L59 VanDerWaalsContact O-N 3.16Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 2.65Å; L59-F62 PolarHBondContact O-N 2.96Å; L59-N63 PolarHBondContact O-N 3.34Å; L59-V117 HydrophobicContact CB-CG1 4.3Å; L59-V117 HydrophobicContact CD2-CG1 4.2Å; L59-V117 WeakPolarHBondContact O-CG1 3.04Å; L59-K120 HydrophobicContact CD1-CB 3.82Å; L59-K120 HydrophobicContact CD2-CB 4.33Å; L59-K120 HydrophobicContact CD2-CD 4.4Å; L59-L121 HydrophobicContact CB-CD1 4.16Å; L59-L121 HydrophobicContact CD1-CB 4.45Å; L59-L121 HydrophobicContact CD1-CD1 4.36Å
60L90.4Very high89.3Confident26 Ų2653.5 Ų53.514%0.13628%0.279CS..Hα-helixtrans-64.3-45.2174.9-72.1170.8000111.5T23 L26 L51 K56 I57 F62 N63 V64 L121T23-L60 HydrophobicContact CG2-CD2 4.44Å; L26-L60 HydrophobicContact CD2-CD2 3.77Å; L26-L60 HydrophobicContact CG-CD2 4.22Å; L51-L60 HydrophobicContact CD2-CD1 4.48Å; K56-L60 WeakPolarHBondContact O-CG 3.45Å; K56-L60 PolarHBondContact O-N 2.75Å; I57-L60 PolarHBondContact O-N 2.84Å; L60-F62 VanDerWaalsContact C-N 3.28Å; L60-F62 PolarHBondContact O-N 2.96Å; L60-N63 WeakPolarHBondContact O-CB 2.98Å; L60-N63 PolarHBondContact O-N 3.27Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.49Å; L60-L121 HydrophobicContact CD2-CD2 3.73Å; L60-L121 HydrophobicContact CG-CD1 4.34Å; L60-L121 HydrophobicContact CG-CD2 4.35Å
61I92.2Very high89.7Confident92 Ų9251.7 Ų51.747%0.47227%0.27SS..Hα-helixtrans-60.1-42.3174.7-67.8167.8000110.3I57 F58 N63 V64 I65I57-I61 HydrophobicContact CG2-CD1 3.92Å; I57-I61 HydrophobicContact CG2-CG1 4.48Å; I57-I61 WeakPolarHBondContact O-CG1 3.4Å; I57-I61 PolarHBondContact O-N 3.15Å; F58-I61 PolarHBondContact O-N 3.48Å; I61-N63 PolarHBondContact O-N 2.72Å; I61-V64 WeakPolarHBondContact O-CB 3.33Å; I61-V64 PolarHBondContact O-N 2.68Å; I61-I65 HydrophobicContact CG2-CD1 4.19Å; I61-I65 WeakPolarHBondContact O-CG1 3.39Å; I61-I65 PolarHBondContact O-N 3.37Å
62F92.4Very high90Very high77 Ų7755 Ų5534%0.33829%0.288SS..Hα-helixtrans-67.6-36.9179.3-165-109.5000112.1F58 L59 L60 V64 I65 I66 I113 V117F58-F62 WeakPolarHBondContact O-CB 3.49Å; F58-F62 PolarHBondContact O-N 3Å; L59-F62 PolarHBondContact O-N 2.96Å; L60-F62 VanDerWaalsContact C-N 3.28Å; L60-F62 PolarHBondContact O-N 2.96Å; F62-V64 PolarHBondContact O-N 3.39Å; F62-I65 PolarHBondContact O-N 3.14Å; F62-I66 HydrophobicContact CD1-CD1 3.77Å; F62-I66 HydrophobicContact CD1-CG1 4.47Å; F62-I66 HydrophobicContact CE1-CD1 3.78Å; F62-I66 HydrophobicContact CE1-CG1 4.39Å; F62-I66 VanDerWaalsContact O-CG1 3.31Å; F62-I66 WeakPolarHBondContact O-CG1 2.98Å; F62-I66 PolarHBondContact O-N 3.1Å; F62-I113 HydrophobicContact CE1-CG2 3.47Å; F62-I113 VanDerWaalsContact CE1-CG2 3.47Å; F62-I113 HydrophobicContact CZ-CG2 4.03Å; F62-V117 HydrophobicContact CD1-CG1 4.5Å; F62-V117 HydrophobicContact CD1-CG2 3.43Å; F62-V117 VanDerWaalsContact CD1-CG2 3.43Å; F62-V117 HydrophobicContact CE1-CG2 3.75Å
63N92Very high90.2Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-60.1-43.3170-178.566.5000111.8S22 L26 L59 L60 I61 I65 I66 I67 N114 V117S22-N63 PolarHBondContact OG-ND2 2.94Å; L26-N63 HydrophobicContact CD2-CB 4.26Å; L59-N63 PolarHBondContact O-N 3.34Å; L60-N63 WeakPolarHBondContact O-CB 2.98Å; L60-N63 PolarHBondContact O-N 3.27Å; I61-N63 PolarHBondContact O-N 2.72Å; N63-I65 VanDerWaalsContact C-N 3.32Å; N63-I65 PolarHBondContact O-N 3.4Å; N63-I66 PolarHBondContact O-N 3.18Å; N63-I67 WeakPolarHBondContact O-CG1 3.38Å; N63-I67 PolarHBondContact O-N 3Å; N63-N114 PolarHBondContact OD1-OD1 3.5Å; N63-V117 HydrophobicContact CB-CG1 4.15Å
64V92.9Very high90.1Very high52 Ų5247.5 Ų47.532%0.31525%0.253SS..Hα-helixtrans-57.5-44.7174.4166.80000111.2C19 T23 L60 I61 F62 I66 I67 G68C19-V64 HydrophobicContact CB-CG1 3.92Å; C19-V64 HydrophobicContact CB-CG2 4.35Å; C19-V64 PolarHBondContact SG-O 2.77Å; C19-V64 VanDerWaalsContact SG-O 3.41Å; T23-V64 WeakPolarHBondContact OG1-CG2 3.42Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 3.49Å; I61-V64 WeakPolarHBondContact O-CB 3.33Å; I61-V64 PolarHBondContact O-N 2.68Å; F62-V64 PolarHBondContact O-N 3.39Å; V64-I66 PolarHBondContact O-N 2.89Å; V64-I67 PolarHBondContact O-N 3.21Å; V64-G68 PolarHBondContact O-N 3.45Å
65I93.8Very high90.1Very high86 Ų8645.8 Ų45.844%0.44123%0.233SC..Hα-helixtrans-61.8-44.2177.1-65.9167000110.9I61 F62 N63 G68 L69I61-I65 HydrophobicContact CG2-CD1 4.19Å; I61-I65 WeakPolarHBondContact O-CG1 3.39Å; I61-I65 PolarHBondContact O-N 3.37Å; F62-I65 PolarHBondContact O-N 3.14Å; N63-I65 VanDerWaalsContact C-N 3.32Å; N63-I65 PolarHBondContact O-N 3.4Å; I65-G68 PolarHBondContact O-N 2.95Å; I65-L69 HydrophobicContact CG2-CD1 3.93Å; I65-L69 HydrophobicContact CG2-CG 4.28Å; I65-L69 WeakPolarHBondContact O-CB 3.17Å; I65-L69 VanDerWaalsContact O-CG 3.3Å; I65-L69 WeakPolarHBondContact O-CG 3.35Å; I65-L69 PolarHBondContact O-N 3.47Å
66I93.2Very high89.9Confident3 Ų346.2 Ų46.22%0.01524%0.241CC..Hα-helixtrans-61.9-46.4179.1-68163.9000111.3F62 N63 V64 G68 L69 T70 L110 I113 N114 V117F62-I66 HydrophobicContact CD1-CD1 3.77Å; F62-I66 HydrophobicContact CD1-CG1 4.47Å; F62-I66 HydrophobicContact CE1-CD1 3.78Å; F62-I66 HydrophobicContact CE1-CG1 4.39Å; F62-I66 VanDerWaalsContact O-CG1 3.31Å; F62-I66 WeakPolarHBondContact O-CG1 2.98Å; F62-I66 PolarHBondContact O-N 3.1Å; N63-I66 PolarHBondContact O-N 3.18Å; V64-I66 PolarHBondContact O-N 2.89Å; I66-G68 VanDerWaalsContact C-N 3.33Å; I66-L69 PolarHBondContact O-N 2.55Å; I66-T70 WeakPolarHBondContact O-CB 3.26Å; I66-T70 PolarHBondContact O-N 3.24Å; I66-T70 PolarHBondContact O-OG1 3.33Å; I66-L110 HydrophobicContact CG2-CD2 4.26Å; I66-I113 HydrophobicContact CD1-CB 4.5Å; I66-I113 HydrophobicContact CD1-CG2 3.67Å; I66-I113 HydrophobicContact CG1-CG2 4.43Å; I66-N114 HydrophobicContact CG2-CB 4.03Å; I66-V117 HydrophobicContact CD1-CG2 4.04Å
67I92.8Very high89.5Confident0 Ų047.8 Ų47.80%025%0.246CC..Hα-helixtrans-65.4-39.3177.9-63.4-61000110.7N63 V64 T70 T71N63-I67 WeakPolarHBondContact O-CG1 3.38Å; N63-I67 PolarHBondContact O-N 3Å; V64-I67 PolarHBondContact O-N 3.21Å; I67-T70 PolarHBondContact O-N 2.81Å; I67-T71 WeakPolarHBondContact O-CB 3.35Å; I67-T71 PolarHBondContact O-N 3.45Å; I67-T71 PolarHBondContact O-OG1 3.11Å
68G91.7Very high89Confident7 Ų745.4 Ų45.47%0.07223%0.234CC..Hα-helixtrans-62.4-47.9174.900000112.8C15 V64 I65 I66 T70 T71 L72C15-G68 WeakPolarHBondContact SG-CA 3.25Å; V64-G68 PolarHBondContact O-N 3.45Å; I65-G68 PolarHBondContact O-N 2.95Å; I66-G68 VanDerWaalsContact C-N 3.33Å; G68-T70 VanDerWaalsContact C-N 3.33Å; G68-T70 PolarHBondContact O-N 3.11Å; G68-T71 PolarHBondContact O-N 2.96Å; G68-L72 WeakPolarHBondContact O-CG 3.38Å; G68-L72 PolarHBondContact O-N 2.93Å
69L92Very high88.1Confident84 Ų8440.2 Ų40.244%0.4422%0.215SC..Hα-helixtrans-60.5-42.7175.3-72.8173.8000111.9I65 I66 T71 L72 M73 L110I65-L69 HydrophobicContact CG2-CD1 3.93Å; I65-L69 HydrophobicContact CG2-CG 4.28Å; I65-L69 WeakPolarHBondContact O-CB 3.17Å; I65-L69 VanDerWaalsContact O-CG 3.3Å; I65-L69 WeakPolarHBondContact O-CG 3.35Å; I65-L69 PolarHBondContact O-N 3.47Å; I66-L69 PolarHBondContact O-N 2.55Å; L69-T71 PolarHBondContact O-N 3.25Å; L69-L72 PolarHBondContact O-N 3.41Å; L69-M73 WeakPolarHBondContact O-CG 3.36Å; L69-M73 PolarHBondContact O-N 2.95Å; L69-L110 HydrophobicContact CD1-CD2 4.47Å
70T90.3Very high86.9Confident4 Ų439.3 Ų39.33%0.02521%0.211CC..Hα-helixtrans-61.7-44.1176.6-58.50000111.1I66 I67 G68 L72 M73 F74 W243I66-T70 WeakPolarHBondContact O-CB 3.26Å; I66-T70 PolarHBondContact O-N 3.24Å; I66-T70 PolarHBondContact O-OG1 3.33Å; I67-T70 PolarHBondContact O-N 2.81Å; G68-T70 VanDerWaalsContact C-N 3.33Å; G68-T70 PolarHBondContact O-N 3.11Å; T70-L72 PolarHBondContact O-N 3.12Å; T70-M73 PolarHBondContact O-N 3.41Å; T70-F74 HydrophobicContact CG2-CD2 3.77Å; T70-F74 HydrophobicContact CG2-CE2 3.25Å; T70-F74 HydrophobicContact CG2-CZ 3.93Å; T70-F74 VanDerWaalsContact O-CD2 3.26Å; T70-F74 WeakPolarHBondContact O-CD2 3.49Å; T70-F74 WeakPolarHBondContact O-CG 3.41Å; T70-F74 PolarHBondContact O-N 3.45Å; T70-W243 HydrophobicContact CG2-CD2 3.84Å; T70-W243 HydrophobicContact CG2-CE3 4.32Å; T70-W243 HydrophobicContact CG2-CG 4.05Å; T70-W243 HydrophobicContact CG2-CZ2 4.21Å
71T88.8Confident85.7Confident1 Ų138.3 Ų38.31%0.00621%0.206CC..Hα-helixtrans-63.8-41.3177.3-53.10000111.5I67 G68 L69 F74 R75I67-T71 WeakPolarHBondContact O-CB 3.35Å; I67-T71 PolarHBondContact O-N 3.45Å; I67-T71 PolarHBondContact O-OG1 3.11Å; G68-T71 PolarHBondContact O-N 2.96Å; L69-T71 PolarHBondContact O-N 3.25Å; T71-F74 PolarHBondContact O-N 3Å; T71-R75 WeakPolarHBondContact O-CB 3.35Å; T71-R75 PolarHBondContact O-N 2.95Å
72L89Confident84.3Confident85 Ų8534.2 Ų34.245%0.44519%0.185SC..Hα-helixtrans-65.5-41.2175.9-71.8172.6000112.2G68 L69 T70 R75 A76G68-L72 WeakPolarHBondContact O-CG 3.38Å; G68-L72 PolarHBondContact O-N 2.93Å; L69-L72 PolarHBondContact O-N 3.41Å; T70-L72 PolarHBondContact O-N 3.12Å; L72-R75 PolarHBondContact O-N 2.98Å; L72-A76 PolarHBondContact O-N 3.1Å
73M87.5Confident83Confident42 Ų4233.9 Ų33.921%0.20718%0.182CC..Hα-helixtrans-60.2-44.9174-79.3-176.448.700111.9L69 T70 A76 I103 S106 L110L69-M73 WeakPolarHBondContact O-CG 3.36Å; L69-M73 PolarHBondContact O-N 2.95Å; T70-M73 PolarHBondContact O-N 3.41Å; M73-A76 PolarHBondContact O-N 3.05Å; M73-I103 HydrophobicContact CE-CB 4.36Å; M73-I103 HydrophobicContact CE-CG1 4.38Å; M73-I103 HydrophobicContact CE-CG2 4.01Å; M73-S106 VanDerWaalsContact CE-CB 3.46Å; M73-L110 HydrophobicContact SD-CD1 3.55Å; M73-L110 VanDerWaalsContact SD-CD1 3.55Å
74F85.7Confident81.6Confident5 Ų534.7 Ų34.72%0.02219%0.186CC..Hα-helixtrans-68.4-37177.5-69.1-39.1000112.4T70 T71 A76 R77 L78 F157 L167 W243 I247 L250T70-F74 HydrophobicContact CG2-CD2 3.77Å; T70-F74 HydrophobicContact CG2-CE2 3.25Å; T70-F74 HydrophobicContact CG2-CZ 3.93Å; T70-F74 VanDerWaalsContact O-CD2 3.26Å; T70-F74 WeakPolarHBondContact O-CD2 3.49Å; T70-F74 WeakPolarHBondContact O-CG 3.41Å; T70-F74 PolarHBondContact O-N 3.45Å; T71-F74 PolarHBondContact O-N 3Å; F74-A76 VanDerWaalsContact C-N 3.3Å; F74-A76 PolarHBondContact O-N 3.26Å; F74-R77 CarbonylContact O-C 3.54Å; F74-R77 PolarHBondContact O-N 2.99Å; F74-L78 PolarHBondContact O-N 3.01Å; F74-F157 HydrophobicContact CE2-CD1 4.49Å; F74-F157 AromaticContact CE2-CE1 3.84Å; F74-F157 HydrophobicContact CE2-CE1 3.84Å; F74-F157 AromaticContact CZ-CD1 3.9Å; F74-F157 HydrophobicContact CZ-CD1 3.9Å; F74-F157 AromaticContact CZ-CE1 3.63Å; F74-F157 HydrophobicContact CZ-CE1 3.63Å; F74-L167 HydrophobicContact CB-CD2 3.8Å; F74-L167 HydrophobicContact CD1-CD1 4.11Å; F74-L167 HydrophobicContact CD1-CD2 4.2Å; F74-L167 HydrophobicContact CG-CD2 4.18Å; F74-W243 HydrophobicContact CZ-CE3 4.34Å; F74-I247 HydrophobicContact CB-CG1 4.46Å; F74-I247 HydrophobicContact CD2-CD1 4.01Å; F74-I247 HydrophobicContact CD2-CG1 3.67Å; F74-I247 HydrophobicContact CE2-CD1 4Å; F74-I247 HydrophobicContact CE2-CG1 4.07Å; F74-I247 HydrophobicContact CG-CD1 4.3Å; F74-I247 HydrophobicContact CG-CG1 4.09Å; F74-I247 HydrophobicContact CZ-CD1 4.32Å; F74-L250 HydrophobicContact CB-CD2 4.45Å
75R84.7Confident80.2Confident83 Ų8333.5 Ų33.531%0.31318%0.177SC..Hα-helixtrans-56.5-43.9171.4171.1178.8171.2-153.5-4112.1S11 T71 L72 R77 L78 L250S11-R75 VanDerWaalsContact CB-CD 3.49Å; S11-R75 VanDerWaalsContact CB-CZ 3.46Å; S11-R75 WeakPolarHBondContact OG-CD 3.35Å; S11-R75 PolarHBondContact OG-NE 3.18Å; S11-R75 PolarHBondContact OG-NH1 3.44Å; T71-R75 WeakPolarHBondContact O-CB 3.35Å; T71-R75 PolarHBondContact O-N 2.95Å; L72-R75 PolarHBondContact O-N 2.98Å; R75-R77 PolarHBondContact O-N 3.41Å; R75-L78 WeakPolarHBondContact O-CB 3.41Å; R75-L78 PolarHBondContact O-N 3.03Å; R75-L250 HydrophobicContact CB-CD1 4.27Å; R75-L250 HydrophobicContact CB-CD2 4.14Å
76A81.4Confident78.5Confident82 Ų8232.3 Ų32.368%0.67817%0.167SC*.THydrogen-bonded Turntrans-60.5-17.2179.800000113L72 M73 F74L72-A76 PolarHBondContact O-N 3.1Å; M73-A76 PolarHBondContact O-N 3.05Å; F74-A76 VanDerWaalsContact C-N 3.3Å; F74-A76 PolarHBondContact O-N 3.26Å
77R79.3Confident77Confident42 Ų4233.2 Ų33.216%0.15817%0.172CC..THydrogen-bonded Turntrans-114.15.1177.3-66.5-44.9-166.510118.3114.9F74 R75 S79 R99 D100 I103 L167F74-R77 CarbonylContact O-C 3.54Å; F74-R77 PolarHBondContact O-N 2.99Å; R75-R77 PolarHBondContact O-N 3.41Å; R77-S79 PolarHBondContact O-N 3.13Å; R77-S79 VanDerWaalsContact O-N 3.13Å; R77-R99 PolarHBondContact NH2-O 3.43Å; R77-D100 IonicContact CZ-OD1 3.85Å; R77-D100 IonicContact NH1-OD1 3.57Å; R77-D100 PolarHBondContact NH1-OD1 3.04Å; R77-D100 IonicContact NH2-OD1 3.56Å; R77-D100 PolarHBondContact NH2-OD1 3.35Å; R77-I103 HydrophobicContact CB-CD1 4.45Å; R77-I103 HydrophobicContact CG-CD1 3.14Å; R77-L167 HydrophobicContact CB-CD1 3.82Å
78L77.2Confident75.7Confident15 Ų1535.6 Ų35.68%0.07918%0.184CC..  trans-61.2118.4171.7-167.976.2000107.6F74 R75 L167 L169 L250 K251 F254 L283F74-L78 PolarHBondContact O-N 3.01Å; R75-L78 WeakPolarHBondContact O-CB 3.41Å; R75-L78 PolarHBondContact O-N 3.03Å; L78-L167 WeakPolarHBondContact CA-O 3.37Å; L78-L167 WeakPolarHBondContact CD1-O 3.41Å; L78-L169 HydrophobicContact CD1-CD2 4.01Å; L78-L169 HydrophobicContact CD1-CG 4.25Å; L78-L169 HydrophobicContact CD2-CD1 4.25Å; L78-L169 HydrophobicContact CD2-CD2 4.19Å; L78-L169 HydrophobicContact CD2-CG 4.37Å; L78-L169 HydrophobicContact CG-CD1 4.46Å; L78-L169 HydrophobicContact CG-CD2 4.33Å; L78-L169 HydrophobicContact CG-CG 4.24Å; L78-L250 HydrophobicContact CD1-CD2 4.39Å; L78-K251 HydrophobicContact CD1-CG 4.4Å; L78-F254 HydrophobicContact CD2-CB 4.07Å; L78-F254 HydrophobicContact CD2-CD1 3.91Å; L78-F254 HydrophobicContact CD2-CD2 3.9Å; L78-F254 HydrophobicContact CD2-CE1 4.32Å; L78-F254 HydrophobicContact CD2-CE2 4.33Å; L78-F254 HydrophobicContact CD2-CG 3.67Å; L78-L283 HydrophobicContact CD2-CD2 4.33Å
79S72.4Confident74.5Confident29 Ų2941.1 Ų41.120%0.20320%0.204CC..BIsolated β-bridgetrans-125.4161.4178.463.20000110.6R77 T81 L167 T168 L169R77-S79 PolarHBondContact O-N 3.13Å; R77-S79 VanDerWaalsContact O-N 3.13Å; S79-T81 PolarHBondContact OG-O 3.44Å; S79-L167 PolarHBondContact N-O 2.94Å; S79-T168 WeakPolarHBondContact O-CA 3.45Å; S79-T168 WeakPolarHBondContact OG-CG2 3.25Å; S79-L169 PolarHBondContact O-N 3.32Å
80V65.4Low73.3Confident11 Ų1139.9 Ų39.97%0.06720%0.195CC..SBendtrans-91.8-28.3175.7160.90000111L169 L283 H286V80-L169 HydrophobicContact CG2-CD1 4.28Å; V80-L283 HydrophobicContact CG2-CD1 3.68Å; V80-H286 HydrophobicContact CB-CB 4.35Å; V80-H286 HydrophobicContact CG1-CB 4.16Å; V80-H286 WeakPolarHBondContact CG1-CD2 3.35Å; V80-H286 WeakPolarHBondContact CG1-CE1 3.23Å; V80-H286 WeakPolarHBondContact CG1-ND1 3.49Å; V80-H286 WeakPolarHBondContact CG1-NE2 2.71Å; V80-H286 HydrophobicContact CG2-CB 3.72Å; V80-H286 WeakPolarHBondContact CG2-CD2 3.41Å
81T64.1Low72.2Confident4 Ų440.6 Ų40.63%0.02520%0.199CC..SBendtrans-99.3138.2-178.554.90000111.6S79 T168 S441 R460 T461S79-T81 PolarHBondContact OG-O 3.44Å; T81-T168 VanDerWaalsContact O-CG2 3.3Å; T81-T168 WeakPolarHBondContact O-CG2 3.24Å; T81-S441 WeakPolarHBondContact CB-O 3.19Å; T81-S441 WeakPolarHBondContact CG2-O 3.35Å; T81-R460 HydrophobicContact CG2-CB 3.53Å; T81-R460 WeakPolarHBondContact CG2-O 3.46Å; T81-R460 VanDerWaalsContact OG1-CB 3.32Å; T81-R460 WeakPolarHBondContact OG1-CB 2.87Å; T81-T461 VanDerWaalsContact CG2-C 3.43Å
82D64Low71.1Confident7 Ų743.6 Ų43.64%0.03722%0.219CC..  trans-69.2143.1171.3-61.9-26.1000111.3V84 N165 T168 A573 S574D82-V84 HydrophobicContact CB-CG2 3.94Å; D82-V84 PolarHBondContact O-N 3.02Å; D82-N165 HydrophobicContact CB-CB 4.46Å; D82-T168 VanDerWaalsContact OD1-CB 3.23Å; D82-T168 WeakPolarHBondContact OD1-CB 3.44Å; D82-T168 VanDerWaalsContact OD1-CG2 3.25Å; D82-T168 WeakPolarHBondContact OD1-CG2 3.29Å; D82-T168 PolarHBondContact OD1-OG1 3.49Å; D82-A573 WeakPolarHBondContact OD2-CA 3.46Å; D82-S574 WeakPolarHBondContact OD1-CB 3.49Å; D82-S574 PolarHBondContact OD1-OG 2.94Å; D82-S574 PolarHBondContact OD2-N 3.02Å; D82-S574 PolarHBondContact OD2-OG 3.4Å
83R65Low69.9Low70 Ų7041.5 Ų41.526%0.26422%0.218SC..  trans-87.295.2164-65.9-178.3176.7-159.9-4.9107.3F85 D100 N165R83-F85 HydrophobicContact CB-CZ 4.44Å; R83-D100 IonicContact CZ-OD2 2.69Å; R83-D100 IonicContact NH1-OD1 3.19Å; R83-D100 PolarHBondContact NH1-OD1 3.37Å; R83-D100 IonicContact NH1-OD2 2.84Å; R83-D100 PolarHBondContact NH1-OD2 2.97Å; R83-N165 PolarHBondContact N-ND2 2.7Å; R83-N165 PolarHBondContact N-OD1 2.99Å; R83-N165 VanDerWaalsContact N-OD1 3.13Å; R83-N165 PolarHBondContact O-ND2 3.02Å
84V62.8Low68.8Low17 Ų1740.3 Ų40.310%0.10322%0.215CC..  trans-90.1114.5177.8178.70000109.3D82 A434 A437 H438 S441D82-V84 HydrophobicContact CB-CG2 3.94Å; D82-V84 PolarHBondContact O-N 3.02Å; V84-A434 HydrophobicContact CG1-CB 4.36Å; V84-A437 HydrophobicContact CB-CB 4.47Å; V84-A437 HydrophobicContact CG1-CB 3.69Å; V84-A437 HydrophobicContact CG2-CB 3.96Å; V84-H438 HydrophobicContact CB-CB 4.46Å; V84-H438 HydrophobicContact CG1-CB 4.28Å; V84-S441 WeakPolarHBondContact CG2-OG 3.49Å
85F62.5Low67.8Low27 Ų2742.1 Ų42.112%0.11822%0.223CC..  trans-80.6131.2171-56.7-69.7000109.3R83 Q90 I91 A94 I431R83-F85 HydrophobicContact CB-CZ 4.44Å; F85-Q90 HydrophobicContact CB-CB 4.34Å; F85-Q90 HydrophobicContact CD1-CB 3.96Å; F85-I91 HydrophobicContact CB-CG1 3.72Å; F85-I91 HydrophobicContact CD1-CG1 4.4Å; F85-I91 HydrophobicContact CD2-CG1 3.7Å; F85-I91 HydrophobicContact CE2-CG1 4.44Å; F85-I91 HydrophobicContact CG-CG1 3.66Å; F85-A94 HydrophobicContact CD1-CB 4.48Å; F85-A94 HydrophobicContact CE1-CB 3.42Å; F85-A94 VanDerWaalsContact CE1-CB 3.42Å; F85-A94 HydrophobicContact CZ-CB 3.66Å; F85-I431 HydrophobicContact CB-CD1 4.44Å; F85-I431 WeakPolarHBondContact O-CD1 3.46Å
86R58.4Low67Low60 Ų6046.6 Ų46.623%0.22625%0.245CC..SBendtrans-79.7-37.2174.3-77.1-172.7-175.6177.25.6112.2I431 A434R86-I431 PolarHBondContact O-N 3.36Å; R86-A434 HydrophobicContact CG-CB 4.4Å
87N62.6Low66.6Low23 Ų2344.6 Ų44.612%0.12322%0.223CC..BIsolated β-bridgetrans-126.5150.5-175.6-62.2-41.8000111.1Y89 Q90 E430N87-Y89 VanDerWaalsContact C-N 3.26Å; N87-Y89 HydrophobicContact CB-CD1 3.39Å; N87-Y89 HydrophobicContact CB-CE1 3.16Å; N87-Y89 HydrophobicContact CB-CG 4.27Å; N87-Y89 VanDerWaalsContact CG-CE1 3.48Å; N87-Y89 WeakPolarHBondContact ND2-CE1 3.15Å; N87-Y89 PolarHBondContact ND2-OH 3.13Å; N87-Y89 VanDerWaalsContact ND2-OH 3.16Å; N87-Y89 PolarHBondContact O-N 3.32Å; N87-Q90 HydrophobicContact CB-CG 4.29Å; N87-Q90 WeakPolarHBondContact O-CB 3.25Å; N87-Q90 PolarHBondContact O-N 3.03Å; N87-E430 WeakPolarHBondContact OD1-CG 3.38Å
88I64.9Low66.6Low50 Ų5050.4 Ų50.426%0.25625%0.245SC..Hα-helixtrans-62-35.3-179.4-54.9-170.9000111.4Q90 I91 C92 I426 L427 I431I88-Q90 PolarHBondContact O-N 2.97Å; I88-I91 VanDerWaalsContact O-CB 3.26Å; I88-I91 WeakPolarHBondContact O-CB 3.45Å; I88-I91 PolarHBondContact O-N 2.89Å; I88-C92 PolarHBondContact O-N 3.27Å; I88-I426 HydrophobicContact CD1-CG2 4.23Å; I88-I426 VanDerWaalsContact CD1-O 3.29Å; I88-I426 WeakPolarHBondContact CD1-O 3.31Å; I88-L427 HydrophobicContact CG2-CD2 3.98Å; I88-L427 PolarHBondContact N-O 2.79Å; I88-I431 HydrophobicContact CG1-CG1 4.33Å
89Y67.4Low66.6Low123 Ų12355.7 Ų55.748%0.48226%0.264SS..Hα-helixtrans-62.2-28.617575-99.1000113.4N87 I91 C92 G93 L427N87-Y89 VanDerWaalsContact C-N 3.26Å; N87-Y89 HydrophobicContact CB-CD1 3.39Å; N87-Y89 HydrophobicContact CB-CE1 3.16Å; N87-Y89 HydrophobicContact CB-CG 4.27Å; N87-Y89 VanDerWaalsContact CG-CE1 3.48Å; N87-Y89 WeakPolarHBondContact ND2-CE1 3.15Å; N87-Y89 PolarHBondContact ND2-OH 3.13Å; N87-Y89 VanDerWaalsContact ND2-OH 3.16Å; N87-Y89 PolarHBondContact O-N 3.32Å; Y89-I91 PolarHBondContact O-N 3.36Å; Y89-C92 PolarHBondContact O-N 3.41Å; Y89-G93 PolarHBondContact O-N 3.08Å; Y89-L427 PolarHBondContact N-O 2.87Å; Y89-L427 VanDerWaalsContact N-O 3.16Å
90Q66.8Low66.9Low57 Ų5754.6 Ų54.627%0.26626%0.256SS..Hα-helixtrans-68.7-28.2176.7-66.8179.5-21.300111.2F85 N87 I88 G93 A94F85-Q90 HydrophobicContact CB-CB 4.34Å; F85-Q90 HydrophobicContact CD1-CB 3.96Å; N87-Q90 HydrophobicContact CB-CG 4.29Å; N87-Q90 WeakPolarHBondContact O-CB 3.25Å; N87-Q90 PolarHBondContact O-N 3.03Å; I88-Q90 PolarHBondContact O-N 2.97Å; Q90-G93 PolarHBondContact O-N 3.28Å; Q90-A94 VanDerWaalsContact O-CB 3.31Å; Q90-A94 WeakPolarHBondContact O-CB 3.19Å; Q90-A94 PolarHBondContact O-N 2.88Å
91I66Low67.8Low19 Ų1958.8 Ų58.810%0.09727%0.273CS..Hα-helixtrans-63.2-47.8172.2-54.3175.5000109.4F85 I88 Y89 A94 F95 V163 I431 F572F85-I91 HydrophobicContact CB-CG1 3.72Å; F85-I91 HydrophobicContact CD1-CG1 4.4Å; F85-I91 HydrophobicContact CD2-CG1 3.7Å; F85-I91 HydrophobicContact CE2-CG1 4.44Å; F85-I91 HydrophobicContact CG-CG1 3.66Å; I88-I91 VanDerWaalsContact O-CB 3.26Å; I88-I91 WeakPolarHBondContact O-CB 3.45Å; I88-I91 PolarHBondContact O-N 2.89Å; Y89-I91 PolarHBondContact O-N 3.36Å; I91-A94 PolarHBondContact O-N 3.44Å; I91-F95 HydrophobicContact CG2-CE2 3.9Å; I91-F95 HydrophobicContact CG2-CZ 4.16Å; I91-F95 WeakPolarHBondContact O-CD2 3.35Å; I91-F95 VanDerWaalsContact O-CE2 3.29Å; I91-F95 WeakPolarHBondContact O-CE2 3.22Å; I91-V163 HydrophobicContact CG2-CG2 3.9Å; I91-I431 HydrophobicContact CD1-CD1 4.27Å; I91-F572 HydrophobicContact CD1-CE1 3.95Å; I91-F572 HydrophobicContact CD1-CZ 4.04Å
92C65.2Low68.8Low64 Ų6463.7 Ų63.743%0.43229%0.294SS..Hα-helixtrans-63.5-44.1176.1-64.80000111.7I88 Y89 A94 F95 F96I88-C92 PolarHBondContact O-N 3.27Å; Y89-C92 PolarHBondContact O-N 3.41Å; C92-A94 VanDerWaalsContact C-N 3.32Å; C92-A94 PolarHBondContact O-N 3.42Å; C92-F95 PolarHBondContact O-N 3Å; C92-F96 VanDerWaalsContact O-CD2 3.28Å; C92-F96 WeakPolarHBondContact O-CD2 3.3Å
93G65Low69.9Low41 Ų4164.3 Ų64.342%0.42330%0.297SS..Hα-helixtrans-62.2-34.8177.500000113.6Y89 Q90 F95 F96Y89-G93 PolarHBondContact O-N 3.08Å; Q90-G93 PolarHBondContact O-N 3.28Å; G93-F95 VanDerWaalsContact C-N 3.25Å; G93-F95 PolarHBondContact O-N 2.82Å; G93-F96 WeakPolarHBondContact O-CB 3.2Å; G93-F96 PolarHBondContact O-N 2.96Å
94A63.8Low71Confident17 Ų1761.8 Ų61.814%0.1429%0.289CS..Hα-helixtrans-61.9-33.5178.300000112.7F85 Q90 I91 C92 F96 N97F85-A94 HydrophobicContact CD1-CB 4.48Å; F85-A94 HydrophobicContact CE1-CB 3.42Å; F85-A94 VanDerWaalsContact CE1-CB 3.42Å; F85-A94 HydrophobicContact CZ-CB 3.66Å; Q90-A94 VanDerWaalsContact O-CB 3.31Å; Q90-A94 WeakPolarHBondContact O-CB 3.19Å; Q90-A94 PolarHBondContact O-N 2.88Å; I91-A94 PolarHBondContact O-N 3.44Å; C92-A94 VanDerWaalsContact C-N 3.32Å; C92-A94 PolarHBondContact O-N 3.42Å; A94-F96 PolarHBondContact O-N 3.19Å; A94-N97 WeakPolarHBondContact O-CB 3.31Å; A94-N97 PolarHBondContact O-N 3.04Å; A94-N97 VanDerWaalsContact O-N 3.14Å
95F65.7Low72.3Confident43 Ų4365.6 Ų65.619%0.18930%0.304CS..THydrogen-bonded Turntrans-70.2-18.3176.4-58.2-52.7000113.6I91 C92 G93 N97 L104 I159 L162 V163I91-F95 HydrophobicContact CG2-CE2 3.9Å; I91-F95 HydrophobicContact CG2-CZ 4.16Å; I91-F95 WeakPolarHBondContact O-CD2 3.35Å; I91-F95 VanDerWaalsContact O-CE2 3.29Å; I91-F95 WeakPolarHBondContact O-CE2 3.22Å; C92-F95 PolarHBondContact O-N 3Å; G93-F95 VanDerWaalsContact C-N 3.25Å; G93-F95 PolarHBondContact O-N 2.82Å; F95-N97 VanDerWaalsContact C-N 3.3Å; F95-L104 HydrophobicContact CB-CD1 4.08Å; F95-L104 HydrophobicContact CD1-CD1 3.61Å; F95-L104 HydrophobicContact CE1-CD1 4.36Å; F95-L104 HydrophobicContact CG-CD1 4.09Å; F95-I159 HydrophobicContact CE1-CG1 4.22Å; F95-I159 HydrophobicContact CZ-CG1 4.28Å; F95-I159 HydrophobicContact CZ-CG2 3.94Å; F95-L162 HydrophobicContact CE1-CD1 4.49Å; F95-V163 HydrophobicContact CE1-CG2 4.32Å; F95-V163 HydrophobicContact CZ-CG2 3.6Å
96F66.6Low73.7Confident177 Ų17766.5 Ų66.578%0.77631%0.314SS*.THydrogen-bonded Turntrans-82.4-6.4173.1-71.8-80.8000113.2C92 G93 A94 W98C92-F96 VanDerWaalsContact O-CD2 3.28Å; C92-F96 WeakPolarHBondContact O-CD2 3.3Å; G93-F96 WeakPolarHBondContact O-CB 3.2Å; G93-F96 PolarHBondContact O-N 2.96Å; A94-F96 PolarHBondContact O-N 3.19Å; F96-W98 PolarHBondContact O-N 2.9Å
97N74.2Confident75.3Confident40 Ų4063.7 Ų63.721%0.21430%0.304CS..SBendtrans-66.6123.1168.7-171.3-26.3000108.9A94 F95 R99 D100 F101A94-N97 WeakPolarHBondContact O-CB 3.31Å; A94-N97 PolarHBondContact O-N 3.04Å; A94-N97 VanDerWaalsContact O-N 3.14Å; F95-N97 VanDerWaalsContact C-N 3.3Å; N97-R99 PolarHBondContact O-N 3.2Å; N97-R99 PolarHBondContact OD1-N 2.81Å; N97-D100 HydrophobicContact CB-CB 4.45Å; N97-D100 PolarHBondContact O-N 3.08Å; N97-F101 PolarHBondContact O-N 3.21Å
98W77.7Confident76.7Confident165 Ų16565 Ų6563%0.62531%0.31SS*.Hα-helixtrans-49.3-36.7-178.1-176.9-122.1000113.3F96 F101 K102F96-W98 PolarHBondContact O-N 2.9Å; W98-F101 HydrophobicContact CE3-CD1 4.23Å; W98-F101 HydrophobicContact CZ3-CD1 4.16Å; W98-F101 HydrophobicContact CZ3-CE1 4.42Å; W98-K102 VanDerWaalsContact CE2-CE 3.49Å; W98-K102 WeakPolarHBondContact O-CG 3.4Å; W98-K102 PolarHBondContact O-N 3.14Å
99R78.8Confident78.1Confident126 Ų12666.6 Ų66.648%0.47532%0.317SS..Hα-helixtrans-66.6-42.2177.8-59.3-174.3178.6141.77.9111.8R77 N97 D455R77-R99 PolarHBondContact NH2-O 3.43Å; N97-R99 PolarHBondContact O-N 3.2Å; N97-R99 PolarHBondContact OD1-N 2.81Å; R99-D455 IonicContact CZ-OD1 3.98Å; R99-D455 IonicContact NH1-OD1 2.75Å; R99-D455 IonicContact NH2-OD1 3.14Å; R99-D455 PolarHBondContact NH2-OD1 3Å
100D78.7Confident79.4Confident5 Ų561.7 Ų61.73%0.02730%0.299CS..Hα-helixtrans-75.9-39.4-177.9-67-18.1000110.5R77 R83 N97 K102 I103 L104R77-D100 IonicContact CZ-OD1 3.85Å; R77-D100 IonicContact NH1-OD1 3.57Å; R77-D100 PolarHBondContact NH1-OD1 3.04Å; R77-D100 IonicContact NH2-OD1 3.56Å; R77-D100 PolarHBondContact NH2-OD1 3.35Å; R83-D100 IonicContact CZ-OD2 2.69Å; R83-D100 IonicContact NH1-OD1 3.19Å; R83-D100 PolarHBondContact NH1-OD1 3.37Å; R83-D100 IonicContact NH1-OD2 2.84Å; R83-D100 PolarHBondContact NH1-OD2 2.97Å; N97-D100 HydrophobicContact CB-CB 4.45Å; N97-D100 PolarHBondContact O-N 3.08Å; D100-K102 VanDerWaalsContact C-N 3.32Å; D100-K102 PolarHBondContact O-N 3.29Å; D100-I103 PolarHBondContact O-N 3.04Å; D100-L104 WeakPolarHBondContact O-CG 3.5Å; D100-L104 PolarHBondContact O-N 3.33Å
101F83.5Confident80.6Confident99 Ų9959 Ų5943%0.43429%0.286SS..Hα-helixtrans-54.6-46170.4-178.2-99.8000112.2N97 W98 I103 L104 F105N97-F101 PolarHBondContact O-N 3.21Å; W98-F101 HydrophobicContact CE3-CD1 4.23Å; W98-F101 HydrophobicContact CZ3-CD1 4.16Å; W98-F101 HydrophobicContact CZ3-CE1 4.42Å; F101-I103 PolarHBondContact O-N 3.42Å; F101-L104 PolarHBondContact O-N 3.34Å; F101-F105 WeakPolarHBondContact O-CB 3.33Å; F101-F105 PolarHBondContact O-N 3.22Å
102K86.2Confident81.9Confident108 Ų10858.7 Ų58.747%0.4729%0.286SS..Hα-helixtrans-55.1-39.5175.3-82.8177.7174.4176.70112.8W98 D100 S106W98-K102 VanDerWaalsContact CE2-CE 3.49Å; W98-K102 WeakPolarHBondContact O-CG 3.4Å; W98-K102 PolarHBondContact O-N 3.14Å; D100-K102 VanDerWaalsContact C-N 3.32Å; D100-K102 PolarHBondContact O-N 3.29Å; K102-S106 WeakPolarHBondContact O-CB 3.48Å; K102-S106 PolarHBondContact O-N 3Å; K102-S106 PolarHBondContact O-OG 2.8Å
103I85.7Confident83.2Confident20 Ų2059 Ų5910%0.10328%0.283CS..Hα-helixtrans-73.7-44.8-179.7-68.1179.5000110.9M73 R77 D100 F101 F105 S106 S107M73-I103 HydrophobicContact CE-CB 4.36Å; M73-I103 HydrophobicContact CE-CG1 4.38Å; M73-I103 HydrophobicContact CE-CG2 4.01Å; R77-I103 HydrophobicContact CB-CD1 4.45Å; R77-I103 HydrophobicContact CG-CD1 3.14Å; D100-I103 PolarHBondContact O-N 3.04Å; F101-I103 PolarHBondContact O-N 3.42Å; I103-F105 VanDerWaalsContact C-N 3.31Å; I103-F105 PolarHBondContact O-N 2.66Å; I103-S106 PolarHBondContact O-N 3.39Å; I103-S107 VanDerWaalsContact O-CB 3.22Å; I103-S107 WeakPolarHBondContact O-CB 3.38Å; I103-S107 PolarHBondContact O-N 3.31Å; I103-S107 PolarHBondContact O-OG 2.84Å; I103-S107 VanDerWaalsContact O-OG 3.06Å
104L88.8Confident84.5Confident17 Ų1757.1 Ų57.19%0.08926%0.263CS..Hα-helixtrans-56.3-50.1175.4-68.9179.5000110.4F95 D100 F101 S107 M108 I159 L162F95-L104 HydrophobicContact CB-CD1 4.08Å; F95-L104 HydrophobicContact CD1-CD1 3.61Å; F95-L104 HydrophobicContact CE1-CD1 4.36Å; F95-L104 HydrophobicContact CG-CD1 4.09Å; D100-L104 WeakPolarHBondContact O-CG 3.5Å; D100-L104 PolarHBondContact O-N 3.33Å; F101-L104 PolarHBondContact O-N 3.34Å; L104-S107 PolarHBondContact O-N 2.78Å; L104-S107 PolarHBondContact O-OG 2.84Å; L104-M108 WeakPolarHBondContact O-CB 3.32Å; L104-M108 PolarHBondContact O-N 2.96Å; L104-I159 HydrophobicContact CD2-CG1 3.67Å; L104-L162 HydrophobicContact CD2-CD1 4.07Å; L104-L162 HydrophobicContact CG-CD1 4.46Å
105F90.2Very high85.8Confident97 Ų9756.3 Ų56.343%0.42526%0.257SS..Hα-helixtrans-62.4-47.9178.6-174.8-98000112.5F101 I103 S107 M108 M109F101-F105 WeakPolarHBondContact O-CB 3.33Å; F101-F105 PolarHBondContact O-N 3.22Å; I103-F105 VanDerWaalsContact C-N 3.31Å; I103-F105 PolarHBondContact O-N 2.66Å; F105-S107 VanDerWaalsContact C-N 3.32Å; F105-S107 PolarHBondContact O-N 2.91Å; F105-M108 HydrophobicContact CD2-CE 3.95Å; F105-M108 HydrophobicContact CE2-CE 4.04Å; F105-M108 WeakPolarHBondContact O-CB 3.29Å; F105-M108 PolarHBondContact O-N 3.47Å; F105-M109 HydrophobicContact CD1-CG 4.41Å; F105-M109 HydrophobicContact CD2-CE 4.48Å; F105-M109 HydrophobicContact CE1-CE 4.31Å; F105-M109 HydrophobicContact CE1-CG 4.01Å; F105-M109 HydrophobicContact CE2-CE 3.59Å; F105-M109 HydrophobicContact CZ-CE 3.5Å; F105-M109 VanDerWaalsContact CZ-CE 3.5Å; F105-M109 HydrophobicContact CZ-CG 4.14Å; F105-M109 WeakPolarHBondContact O-CG 3.41Å; F105-M109 PolarHBondContact O-N 3.47Å
106S91.6Very high87Confident45 Ų4555.7 Ų55.732%0.31526%0.255SS..Hα-helixtrans-63.7-38.7179.5-59.30000111.6M73 K102 I103 M109 L110M73-S106 VanDerWaalsContact CE-CB 3.46Å; K102-S106 WeakPolarHBondContact O-CB 3.48Å; K102-S106 PolarHBondContact O-N 3Å; K102-S106 PolarHBondContact O-OG 2.8Å; I103-S106 PolarHBondContact O-N 3.39Å; S106-M109 PolarHBondContact O-N 3.02Å; S106-L110 WeakPolarHBondContact O-CB 3.23Å; S106-L110 VanDerWaalsContact O-CG 3.29Å; S106-L110 WeakPolarHBondContact O-CG 3.26Å; S106-L110 PolarHBondContact O-N 3.44Å
107S91.4Very high88.1Confident2 Ų247.6 Ų47.61%0.01422%0.221CC..Hα-helixtrans-70.3-34.117671.70000113.1I103 L104 F105 G111 S158 W243I103-S107 VanDerWaalsContact O-CB 3.22Å; I103-S107 WeakPolarHBondContact O-CB 3.38Å; I103-S107 PolarHBondContact O-N 3.31Å; I103-S107 PolarHBondContact O-OG 2.84Å; I103-S107 VanDerWaalsContact O-OG 3.06Å; L104-S107 PolarHBondContact O-N 2.78Å; L104-S107 PolarHBondContact O-OG 2.84Å; F105-S107 VanDerWaalsContact C-N 3.32Å; F105-S107 PolarHBondContact O-N 2.91Å; S107-G111 PolarHBondContact O-N 3.18Å; S107-S158 WeakPolarHBondContact CB-OG 3.35Å; S107-S158 VanDerWaalsContact OG-CB 3.32Å; S107-S158 WeakPolarHBondContact OG-CB 3.35Å; S107-S158 PolarHBondContact OG-OG 3.01Å; S107-W243 WeakPolarHBondContact O-CH2 3.49Å
108M93.2Very high88.9Confident51 Ų5145.7 Ų45.725%0.25121%0.21SC..Hα-helixtrans-62.8-46172.5-175.5-178.676.100110.1L104 F105 G111 A112 A151 L155L104-M108 WeakPolarHBondContact O-CB 3.32Å; L104-M108 PolarHBondContact O-N 2.96Å; F105-M108 HydrophobicContact CD2-CE 3.95Å; F105-M108 HydrophobicContact CE2-CE 4.04Å; F105-M108 WeakPolarHBondContact O-CB 3.29Å; F105-M108 PolarHBondContact O-N 3.47Å; M108-G111 PolarHBondContact O-N 3.36Å; M108-A112 WeakPolarHBondContact O-CB 3.45Å; M108-A112 PolarHBondContact O-N 3.08Å; M108-A151 HydrophobicContact CG-CB 3.77Å; M108-A151 WeakPolarHBondContact O-CA 3.48Å; M108-L155 HydrophobicContact CB-CB 4.35Å; M108-L155 HydrophobicContact CG-CB 4.49Å; M108-L155 HydrophobicContact SD-CD1 4.08Å
109M93.4Very high89.4Confident82 Ų8237.9 Ų37.940%0.40418%0.181SC..Hα-helixtrans-66.9-46.9177.8-68.2-58.6164.600112.5F105 S106 G111 A112 I113F105-M109 HydrophobicContact CD1-CG 4.41Å; F105-M109 HydrophobicContact CD2-CE 4.48Å; F105-M109 HydrophobicContact CE1-CE 4.31Å; F105-M109 HydrophobicContact CE1-CG 4.01Å; F105-M109 HydrophobicContact CE2-CE 3.59Å; F105-M109 HydrophobicContact CZ-CE 3.5Å; F105-M109 VanDerWaalsContact CZ-CE 3.5Å; F105-M109 HydrophobicContact CZ-CG 4.14Å; F105-M109 WeakPolarHBondContact O-CG 3.41Å; F105-M109 PolarHBondContact O-N 3.47Å; S106-M109 PolarHBondContact O-N 3.02Å; M109-G111 VanDerWaalsContact C-N 3.27Å; M109-G111 PolarHBondContact O-N 3.47Å; M109-A112 WeakPolarHBondContact O-CB 3.31Å; M109-A112 PolarHBondContact O-N 2.91Å; M109-I113 VanDerWaalsContact O-CG1 3.29Å; M109-I113 WeakPolarHBondContact O-CG1 3.27Å; M109-I113 PolarHBondContact O-N 3.11Å
110L93.9Very high89.8Confident21 Ų2135.8 Ų35.811%0.1118%0.175CC..Hα-helixtrans-61.8-36.9176.2-73.1171.1000111.6I66 L69 M73 S106 I113 N114 W243I66-L110 HydrophobicContact CG2-CD2 4.26Å; L69-L110 HydrophobicContact CD1-CD2 4.47Å; M73-L110 HydrophobicContact SD-CD1 3.55Å; M73-L110 VanDerWaalsContact SD-CD1 3.55Å; S106-L110 WeakPolarHBondContact O-CB 3.23Å; S106-L110 VanDerWaalsContact O-CG 3.29Å; S106-L110 WeakPolarHBondContact O-CG 3.26Å; S106-L110 PolarHBondContact O-N 3.44Å; L110-I113 PolarHBondContact O-N 3.03Å; L110-N114 WeakPolarHBondContact O-CB 3.46Å; L110-N114 PolarHBondContact O-N 3.38Å; L110-W243 HydrophobicContact CB-CH2 4.36Å; L110-W243 HydrophobicContact CB-CZ2 4.2Å
111G93.1Very high90.2Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-65.7-40.617600000113S107 M108 M109 N114 S115 G150S107-G111 PolarHBondContact O-N 3.18Å; M108-G111 PolarHBondContact O-N 3.36Å; M109-G111 VanDerWaalsContact C-N 3.27Å; M109-G111 PolarHBondContact O-N 3.47Å; G111-N114 PolarHBondContact O-N 2.96Å; G111-S115 PolarHBondContact O-N 3.23Å; G111-G150 VanDerWaalsContact C-C 3.45Å; G111-G150 CarbonylContact C-O 3.46Å; G111-G150 CarbonylContact O-C 3.58Å; G111-G150 WeakPolarHBondContact O-CA 3.46Å
112A92.9Very high90.3Very high12 Ų1231.8 Ų31.810%0.09916%0.158CC..Hα-helixtrans-63.6-46174.700000112.2M108 M109 S115 L116 T147 A151M108-A112 WeakPolarHBondContact O-CB 3.45Å; M108-A112 PolarHBondContact O-N 3.08Å; M109-A112 WeakPolarHBondContact O-CB 3.31Å; M109-A112 PolarHBondContact O-N 2.91Å; A112-S115 PolarHBondContact O-OG 2.84Å; A112-S115 VanDerWaalsContact O-OG 3.04Å; A112-L116 PolarHBondContact O-N 2.8Å; A112-T147 HydrophobicContact CB-CG2 3.82Å; A112-A151 HydrophobicContact CB-CB 3.96Å
113I92.7Very high89.9Confident71 Ų7127.8 Ų27.836%0.36415%0.145SC..Hα-helixtrans-66.3-43178.3-64168.4000110F62 I66 M109 L110 S115 L116 V117F62-I113 HydrophobicContact CE1-CG2 3.47Å; F62-I113 VanDerWaalsContact CE1-CG2 3.47Å; F62-I113 HydrophobicContact CZ-CG2 4.03Å; I66-I113 HydrophobicContact CD1-CB 4.5Å; I66-I113 HydrophobicContact CD1-CG2 3.67Å; I66-I113 HydrophobicContact CG1-CG2 4.43Å; M109-I113 VanDerWaalsContact O-CG1 3.29Å; M109-I113 WeakPolarHBondContact O-CG1 3.27Å; M109-I113 PolarHBondContact O-N 3.11Å; L110-I113 PolarHBondContact O-N 3.03Å; I113-S115 PolarHBondContact O-N 3.48Å; I113-L116 WeakPolarHBondContact O-CB 3.43Å; I113-L116 PolarHBondContact O-N 2.7Å; I113-V117 HydrophobicContact CG2-CG2 4.28Å; I113-V117 WeakPolarHBondContact O-CG2 3.14Å; I113-V117 PolarHBondContact O-N 2.91Å
114N92.2Very high89.2Confident1 Ų132 Ų321%0.00517%0.172CC..Hα-helixtrans-60.9-45.6178.8-165.720.4000111.6N63 I66 L110 G111 L116 V117 V118 L239N63-N114 PolarHBondContact OD1-OD1 3.5Å; I66-N114 HydrophobicContact CG2-CB 4.03Å; L110-N114 WeakPolarHBondContact O-CB 3.46Å; L110-N114 PolarHBondContact O-N 3.38Å; G111-N114 PolarHBondContact O-N 2.96Å; N114-L116 VanDerWaalsContact C-N 3.3Å; N114-L116 PolarHBondContact O-N 3.33Å; N114-V117 PolarHBondContact O-N 3.35Å; N114-V118 VanDerWaalsContact O-CG2 3.27Å; N114-V118 WeakPolarHBondContact O-CG2 3.31Å; N114-V118 PolarHBondContact O-N 3.02Å; N114-L239 HydrophobicContact CB-CD1 4.33Å
115S91.8Very high88.4Confident1 Ų133.5 Ų33.51%0.00719%0.191CC..Hα-helixtrans-63-38.2178.669.80000111.9G111 A112 I113 A119 L146G111-S115 PolarHBondContact O-N 3.23Å; A112-S115 PolarHBondContact O-OG 2.84Å; A112-S115 VanDerWaalsContact O-OG 3.04Å; I113-S115 PolarHBondContact O-N 3.48Å; S115-A119 WeakPolarHBondContact O-CB 3.3Å; S115-A119 PolarHBondContact O-N 2.82Å; S115-L146 PolarHBondContact OG-O 3.28Å; S115-L146 VanDerWaalsContact OG-O 3.05Å
116L89.5Confident87.3Confident30 Ų3036.3 Ų36.316%0.15720%0.203CC..Hα-helixtrans-63.4-43175-17378.1000112.6A112 I113 N114 A119 K120 F130A112-L116 PolarHBondContact O-N 2.8Å; I113-L116 WeakPolarHBondContact O-CB 3.43Å; I113-L116 PolarHBondContact O-N 2.7Å; N114-L116 VanDerWaalsContact C-N 3.3Å; N114-L116 PolarHBondContact O-N 3.33Å; L116-A119 WeakPolarHBondContact O-CB 3.48Å; L116-A119 PolarHBondContact O-N 3.01Å; L116-K120 WeakPolarHBondContact O-CB 3.35Å; L116-K120 WeakPolarHBondContact O-CG 3.33Å; L116-K120 PolarHBondContact O-N 3.42Å; L116-F130 HydrophobicContact CD1-CD2 3.84Å; L116-F130 HydrophobicContact CD1-CE2 3.27Å; L116-F130 HydrophobicContact CD1-CZ 3.66Å; L116-F130 HydrophobicContact CD2-CD2 4.22Å; L116-F130 HydrophobicContact CD2-CE2 3.49Å; L116-F130 VanDerWaalsContact CD2-CE2 3.49Å; L116-F130 HydrophobicContact CD2-CZ 4.36Å; L116-F130 HydrophobicContact CG-CE2 3.95Å
117V90.2Very high86.2Confident7 Ų735.6 Ų35.64%0.04219%0.194CC..Hα-helixtrans-65.8-47.8-178.5171.90000110.4L59 F62 N63 I66 I113 N114 A119 K120 L121L59-V117 HydrophobicContact CB-CG1 4.3Å; L59-V117 HydrophobicContact CD2-CG1 4.2Å; L59-V117 WeakPolarHBondContact O-CG1 3.04Å; F62-V117 HydrophobicContact CD1-CG1 4.5Å; F62-V117 HydrophobicContact CD1-CG2 3.43Å; F62-V117 VanDerWaalsContact CD1-CG2 3.43Å; F62-V117 HydrophobicContact CE1-CG2 3.75Å; N63-V117 HydrophobicContact CB-CG1 4.15Å; I66-V117 HydrophobicContact CD1-CG2 4.04Å; I113-V117 HydrophobicContact CG2-CG2 4.28Å; I113-V117 WeakPolarHBondContact O-CG2 3.14Å; I113-V117 PolarHBondContact O-N 2.91Å; N114-V117 PolarHBondContact O-N 3.35Å; V117-A119 VanDerWaalsContact C-N 3.3Å; V117-A119 PolarHBondContact O-N 3.47Å; V117-K120 PolarHBondContact O-N 2.9Å; V117-L121 PolarHBondContact O-N 2.85Å
118V90.4Very high84.8Confident0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-62.2-40.8175.8178.10000110.4L26 N114 L121 L122 T235 H238L26-V118 HydrophobicContact CD1-CB 4.45Å; L26-V118 HydrophobicContact CD1-CG1 3.84Å; L26-V118 HydrophobicContact CD1-CG2 4.17Å; N114-V118 VanDerWaalsContact O-CG2 3.27Å; N114-V118 WeakPolarHBondContact O-CG2 3.31Å; N114-V118 PolarHBondContact O-N 3.02Å; V118-L121 PolarHBondContact O-N 3.23Å; V118-L122 HydrophobicContact CG1-CD1 3.65Å; V118-L122 HydrophobicContact CG1-CG 4.25Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 VanDerWaalsContact O-CG 3.31Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 3.42Å; V118-T235 HydrophobicContact CB-CG2 4.14Å; V118-T235 HydrophobicContact CG1-CG2 3.73Å; V118-H238 WeakPolarHBondContact CG2-ND1 3.4Å
119A88.6Confident83.6Confident0 Ų035.5 Ų35.50%020%0.199CC..Hα-helixtrans-62.2-46.1176.900000113.1S115 L116 V117 L121 L122 A123 L146S115-A119 WeakPolarHBondContact O-CB 3.3Å; S115-A119 PolarHBondContact O-N 2.82Å; L116-A119 WeakPolarHBondContact O-CB 3.48Å; L116-A119 PolarHBondContact O-N 3.01Å; V117-A119 VanDerWaalsContact C-N 3.3Å; V117-A119 PolarHBondContact O-N 3.47Å; A119-L121 VanDerWaalsContact C-N 3.27Å; A119-L121 PolarHBondContact O-N 2.86Å; A119-L122 PolarHBondContact O-N 3.17Å; A119-A123 CarbonylContact O-C 3.47Å; A119-A123 WeakPolarHBondContact O-CA 3.49Å; A119-A123 PolarHBondContact O-N 2.73Å; A119-L146 HydrophobicContact CB-CD2 3.2Å; A119-L146 HydrophobicContact CB-CG 4.29Å
120K87.3Confident82Confident83 Ų8334.8 Ų34.836%0.36119%0.194SC..Hα-helixtrans-63.3-34176.7-80.3-175.4172.9-175.20112.3L59 L116 V117 T124 G128L59-K120 HydrophobicContact CD1-CB 3.82Å; L59-K120 HydrophobicContact CD2-CB 4.33Å; L59-K120 HydrophobicContact CD2-CD 4.4Å; L116-K120 WeakPolarHBondContact O-CB 3.35Å; L116-K120 WeakPolarHBondContact O-CG 3.33Å; L116-K120 PolarHBondContact O-N 3.42Å; V117-K120 PolarHBondContact O-N 2.9Å; K120-T124 WeakPolarHBondContact O-CG2 3.31Å; K120-G128 WeakPolarHBondContact CE-O 3.21Å; K120-G128 WeakPolarHBondContact CG-O 3.42Å
121L86.6Confident80.5Confident2 Ų239.6 Ų39.61%0.0121%0.214CC..Hα-helixtrans-72.1-43.3178.8-168.976000112.1L26 V30 K56 L59 L60 V117 V118 A119L26-L121 HydrophobicContact CD1-CD2 3.81Å; L26-L121 HydrophobicContact CD2-CD2 3.52Å; L26-L121 HydrophobicContact CG-CD2 3.42Å; L26-L121 VanDerWaalsContact CG-CD2 3.42Å; V30-L121 HydrophobicContact CG2-CD2 3.98Å; V30-L121 HydrophobicContact CG2-CG 4.15Å; K56-L121 HydrophobicContact CB-CD1 3.71Å; K56-L121 HydrophobicContact CD-CD1 3.92Å; K56-L121 HydrophobicContact CG-CD1 3.94Å; L59-L121 HydrophobicContact CB-CD1 4.16Å; L59-L121 HydrophobicContact CD1-CB 4.45Å; L59-L121 HydrophobicContact CD1-CD1 4.36Å; L60-L121 HydrophobicContact CD2-CD2 3.73Å; L60-L121 HydrophobicContact CG-CD1 4.34Å; L60-L121 HydrophobicContact CG-CD2 4.35Å; V117-L121 PolarHBondContact O-N 2.85Å; V118-L121 PolarHBondContact O-N 3.23Å; A119-L121 VanDerWaalsContact C-N 3.27Å; A119-L121 PolarHBondContact O-N 2.86Å
122L85.6Confident78.9Confident18 Ų1844.1 Ų44.19%0.09424%0.235CC..Hα-helixtrans-79.8-33.2-178.1-67.4176000113M29 V30 Q33 V118 A119 L231 I234M29-L122 HydrophobicContact CB-CD2 4.09Å; V30-L122 HydrophobicContact CG2-CD2 3.8Å; Q33-L122 VanDerWaalsContact OE1-CD2 3.26Å; Q33-L122 PolarHBondContact OE1-O 2.87Å; Q33-L122 VanDerWaalsContact OE1-O 3.09Å; V118-L122 HydrophobicContact CG1-CD1 3.65Å; V118-L122 HydrophobicContact CG1-CG 4.25Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 VanDerWaalsContact O-CG 3.31Å; V118-L122 WeakPolarHBondContact O-CG 3.38Å; V118-L122 PolarHBondContact O-N 3.42Å; A119-L122 PolarHBondContact O-N 3.17Å; L122-L231 HydrophobicContact CB-CD1 4.1Å; L122-L231 HydrophobicContact CD1-CD1 4.12Å; L122-I234 HydrophobicContact CD1-CG2 3.62Å
123A79.2Confident77.2Confident24 Ų2454 Ų5420%0.19827%0.271CS..  trans-140.289.1-175.700000111.1A119 G125 Y127 L231A119-A123 CarbonylContact O-C 3.47Å; A119-A123 WeakPolarHBondContact O-CA 3.49Å; A119-A123 PolarHBondContact O-N 2.73Å; A123-G125 PolarHBondContact O-N 3.42Å; A123-G125 VanDerWaalsContact O-N 3.11Å; A123-Y127 HydrophobicContact CB-CD2 4.11Å; A123-L231 HydrophobicContact CB-CD2 4.38Å
124T71.5Confident75.4Confident109 Ų10955.4 Ų55.467%0.66928%0.28SS*.  trans-68.3-6.1-177.250.10000115K120K120-T124 WeakPolarHBondContact O-CG2 3.31Å
125G70.9Confident73.5Confident47 Ų4764.8 Ų64.849%0.48532%0.323SS..SBendtrans-97.2-128.8-17700000114.7A123 Y127 G128A123-G125 PolarHBondContact O-N 3.42Å; A123-G125 VanDerWaalsContact O-N 3.11Å; G125-Y127 PolarHBondContact O-N 2.9Å; G125-G128 PolarHBondContact O-N 3.49Å
126K67.7Low71.7Confident157 Ų15773 Ų7368%0.68336%0.359SS*.THydrogen-bonded Turntrans-55.1-10.7-172.5-63.5-173.5178.5-174.70116.2N140K126-N140 PolarHBondContact O-ND2 2.69Å
127Y67.8Low70.2Confident30 Ų3076.4 Ų76.412%0.11838%0.383CS..THydrogen-bonded Turntrans-106.7-12.7-176-55.1-83.4000112.8A123 G125 R142 D225 L228 L231A123-Y127 HydrophobicContact CB-CD2 4.11Å; G125-Y127 PolarHBondContact O-N 2.9Å; Y127-R142 HydrophobicContact CD1-CB 4.01Å; Y127-R142 HydrophobicContact CE1-CB 4.38Å; Y127-R142 HydrophobicContact CE1-CG 4.43Å; Y127-R142 PolarHBondContact OH-NH1 3.28Å; Y127-D225 PolarHBondContact OH-OD2 3.44Å; Y127-L228 HydrophobicContact CD1-CD1 4.07Å; Y127-L228 HydrophobicContact CE1-CB 4.24Å; Y127-L228 HydrophobicContact CE1-CD1 4.09Å; Y127-L231 HydrophobicContact CD1-CD2 4.26Å; Y127-L231 HydrophobicContact CG-CD2 4.04Å
128G61.6Low69Low6 Ų678.4 Ų78.46%0.06240%0.397CS..THydrogen-bonded Turntrans-91.5-26.6-173.100000115.4K120 G125K120-G128 WeakPolarHBondContact CE-O 3.21Å; K120-G128 WeakPolarHBondContact CG-O 3.42Å; G125-G128 PolarHBondContact O-N 3.49Å
129S68.2Low68Low45 Ų4581.5 Ų81.532%0.31542%0.416SS..  trans-97.2130.2-17966.40000111.9F131 N140S129-F131 VanDerWaalsContact C-N 3.3Å; S129-F131 WeakPolarHBondContact CB-O 3.19Å; S129-F131 PolarHBondContact OG-O 3.35Å; S129-N140 VanDerWaalsContact O-CB 3.29Å; S129-N140 WeakPolarHBondContact O-CB 3.41Å; S129-N140 PolarHBondContact O-ND2 3.03Å
130F61.2Low67.5Low67 Ų6782.2 Ų82.229%0.29442%0.42SS..SBendtrans-68.1-31.6173.1-89.7-69.8000113L116 N140 A143 T147L116-F130 HydrophobicContact CD1-CD2 3.84Å; L116-F130 HydrophobicContact CD1-CE2 3.27Å; L116-F130 HydrophobicContact CD1-CZ 3.66Å; L116-F130 HydrophobicContact CD2-CD2 4.22Å; L116-F130 HydrophobicContact CD2-CE2 3.49Å; L116-F130 VanDerWaalsContact CD2-CE2 3.49Å; L116-F130 HydrophobicContact CD2-CZ 4.36Å; L116-F130 HydrophobicContact CG-CE2 3.95Å; F130-N140 WeakPolarHBondContact O-CB 3.48Å; F130-N140 PolarHBondContact O-N 2.99Å; F130-A143 HydrophobicContact CD1-CB 4.1Å; F130-A143 HydrophobicContact CE1-CB 4.44Å; F130-T147 HydrophobicContact CE1-CG2 4.21Å; F130-T147 VanDerWaalsContact CE1-OG1 3.31Å; F130-T147 WeakPolarHBondContact CE1-OG1 3.48Å; F130-T147 HydrophobicContact CZ-CG2 3.77Å; F130-T147 WeakPolarHBondContact CZ-OG1 2.93Å
131F62Low67.1Low122 Ų12282.6 Ų82.654%0.53542%0.423SS..EExtended strand (participates in β ladder)trans-101.4130.1176.4-62.5-73.9000108.5S129 P137S129-F131 VanDerWaalsContact C-N 3.3Å; S129-F131 WeakPolarHBondContact CB-O 3.19Å; S129-F131 PolarHBondContact OG-O 3.35Å; F131-P137 HydrophobicContact CD1-CB 4.11Å
132E60.1Low66.8Low95 Ų9586.2 Ų86.244%0.44444%0.437SS..EExtended strand (participates in β ladder)trans-80.1121.2164.2-162.1170.5-168.200106.9N134 S138E132-N134 PolarHBondContact O-N 3.4Å; E132-S138 PolarHBondContact N-O 2.9Å; E132-S138 VanDerWaalsContact N-O 3.13Å
133Y56.4Low66.7Low218 Ų21885.4 Ų85.486%0.85543%0.432SS*.  trans-75.970.8178-79.5-85.1000109.7
134N54.9Low66.9Low102 Ų10286.3 Ų86.355%0.54543%0.434SS..SBendtrans-112.1167.2164.6-71-27.6000108.6E132 F136E132-N134 PolarHBondContact O-N 3.4Å; N134-F136 CarbonylContact O-C 3.37Å; N134-F136 PolarHBondContact O-N 2.83Å
135H52.1Low67.7Low198 Ų19881.2 Ų81.292%0.91740%0.402SS*.SBendtrans-51.9-16.7-173.8-87.5-61.3000115.9
136F54.1Low68.5Low173 Ų17379.1 Ų79.176%0.75938%0.38SS*.SBendtrans-122.9137.3165.1-74.8-86.8000109.3N134 S138N134-F136 CarbonylContact O-C 3.37Å; N134-F136 PolarHBondContact O-N 2.83Å; F136-S138 VanDerWaalsContact C-N 3.32Å; F136-S138 PolarHBondContact O-N 2.71Å
137P58.2Low69.5Low102 Ų10272.7 Ų72.766%0.66235%0.354SS*.  trans-66.690.6176.427.5-33.3000109.9F131F131-P137 HydrophobicContact CD1-CB 4.11Å
138S65.3Low70.6Confident48 Ų4873.4 Ų73.434%0.33636%0.362SS..EExtended strand (participates in β ladder)trans-84.5138168.750.90000109.6E132 F136 N140E132-S138 PolarHBondContact N-O 2.9Å; E132-S138 VanDerWaalsContact N-O 3.13Å; F136-S138 VanDerWaalsContact C-N 3.32Å; F136-S138 PolarHBondContact O-N 2.71Å; S138-N140 PolarHBondContact O-N 3.2Å
139V69.1Low72Confident66 Ų6673.1 Ų73.140%0.436%0.359SS..EExtended strand (participates in β ladder)trans-68.7121.7172.9178.10000108.1Q141 L144V139-Q141 PolarHBondContact O-N 2.96Å; V139-L144 HydrophobicContact CG1-CB 4.27Å; V139-L144 HydrophobicContact CG1-CD2 4.28Å
140N77.5Confident73.2Confident14 Ų1471 Ų718%0.07534%0.344CS..  trans-65.1105175.3-178.2-5.5000109.4K126 S129 F130 S138 R142 A143 L144K126-N140 PolarHBondContact O-ND2 2.69Å; S129-N140 VanDerWaalsContact O-CB 3.29Å; S129-N140 WeakPolarHBondContact O-CB 3.41Å; S129-N140 PolarHBondContact O-ND2 3.03Å; F130-N140 WeakPolarHBondContact O-CB 3.48Å; F130-N140 PolarHBondContact O-N 2.99Å; S138-N140 PolarHBondContact O-N 3.2Å; N140-R142 PolarHBondContact O-N 3.19Å; N140-R142 VanDerWaalsContact O-N 3.12Å; N140-R142 WeakPolarHBondContact OD1-CB 3.27Å; N140-R142 PolarHBondContact OD1-N 3.5Å; N140-R142 VanDerWaalsContact OD1-N 3.08Å; N140-A143 HydrophobicContact CB-CB 4.14Å; N140-A143 PolarHBondContact O-N 3.04Å; N140-A143 VanDerWaalsContact O-N 3.08Å; N140-L144 PolarHBondContact O-N 3.37Å
141Q78.6Confident74.7Confident92 Ų9268.7 Ų68.743%0.4334%0.337SS..Hα-helixtrans-57.1-29.8-178-66.8-176.6-1000112.5V139 L144 I145V139-Q141 PolarHBondContact O-N 2.96Å; Q141-L144 PolarHBondContact O-N 2.99Å; Q141-I145 WeakPolarHBondContact O-CG2 3.46Å; Q141-I145 PolarHBondContact O-N 2.85Å
142R81.3Confident76.1Confident78 Ų7864.5 Ų64.529%0.29432%0.319SS..Hα-helixtrans-70.9-40.6178.2-58.8172-180-133.7-6.9112.1Y127 N140 L144 I145 L146 L222 D225 L228Y127-R142 HydrophobicContact CD1-CB 4.01Å; Y127-R142 HydrophobicContact CE1-CB 4.38Å; Y127-R142 HydrophobicContact CE1-CG 4.43Å; Y127-R142 PolarHBondContact OH-NH1 3.28Å; N140-R142 PolarHBondContact O-N 3.19Å; N140-R142 VanDerWaalsContact O-N 3.12Å; N140-R142 WeakPolarHBondContact OD1-CB 3.27Å; N140-R142 PolarHBondContact OD1-N 3.5Å; N140-R142 VanDerWaalsContact OD1-N 3.08Å; R142-L144 VanDerWaalsContact C-N 3.34Å; R142-I145 VanDerWaalsContact O-CG2 3.23Å; R142-I145 WeakPolarHBondContact O-CG2 3.32Å; R142-L146 WeakPolarHBondContact O-CB 3.49Å; R142-L146 PolarHBondContact O-N 3.11Å; R142-L222 HydrophobicContact CG-CD1 3.76Å; R142-D225 IonicContact CZ-OD2 2.8Å; R142-D225 IonicContact NH1-OD2 2.98Å; R142-D225 PolarHBondContact NH1-OD2 2.88Å; R142-D225 IonicContact NH2-OD2 3.72Å; R142-L228 HydrophobicContact CB-CD1 4.44Å
143A82.8Confident77.7Confident1 Ų160 Ų601%0.00830%0.298CS..Hα-helixtrans-70.4-35.5174.500000111.1F130 N140 L146 T147F130-A143 HydrophobicContact CD1-CB 4.1Å; F130-A143 HydrophobicContact CE1-CB 4.44Å; N140-A143 HydrophobicContact CB-CB 4.14Å; N140-A143 PolarHBondContact O-N 3.04Å; N140-A143 VanDerWaalsContact O-N 3.08Å; A143-L146 PolarHBondContact O-N 3.22Å; A143-T147 WeakPolarHBondContact O-CB 3.3Å; A143-T147 PolarHBondContact O-N 2.93Å; A143-T147 PolarHBondContact O-OG1 3.4Å
144L84.5Confident79.3Confident42 Ų4249.6 Ų49.622%0.2226%0.257CS..Hα-helixtrans-64.1-49.1178-176.164.8000112.2V139 N140 Q141 R142 L146 T147 T148V139-L144 HydrophobicContact CG1-CB 4.27Å; V139-L144 HydrophobicContact CG1-CD2 4.28Å; N140-L144 PolarHBondContact O-N 3.37Å; Q141-L144 PolarHBondContact O-N 2.99Å; R142-L144 VanDerWaalsContact C-N 3.34Å; L144-L146 VanDerWaalsContact C-N 3.28Å; L144-L146 PolarHBondContact O-N 3.36Å; L144-T147 PolarHBondContact O-N 3.49Å; L144-T148 HydrophobicContact CD1-CG2 4.16Å; L144-T148 HydrophobicContact CG-CG2 4.42Å; L144-T148 WeakPolarHBondContact O-CB 3.48Å; L144-T148 VanDerWaalsContact O-CG2 3.28Å; L144-T148 WeakPolarHBondContact O-CG2 3.42Å; L144-T148 PolarHBondContact O-N 2.97Å; L144-T148 PolarHBondContact O-OG1 3.38Å
145I87Confident81.1Confident2 Ų247.2 Ų47.21%0.0124%0.244CC..Hα-helixtrans-62.3-36.9178.2-169.2170.4000111.7Q141 R142 T148 C149 F200 Y204 L222 L228 I232Q141-I145 WeakPolarHBondContact O-CG2 3.46Å; Q141-I145 PolarHBondContact O-N 2.85Å; R142-I145 VanDerWaalsContact O-CG2 3.23Å; R142-I145 WeakPolarHBondContact O-CG2 3.32Å; I145-T148 VanDerWaalsContact CA-OG1 3.32Å; I145-T148 WeakPolarHBondContact CA-OG1 3.16Å; I145-T148 PolarHBondContact O-OG1 3.14Å; I145-C149 WeakPolarHBondContact O-CB 3.22Å; I145-C149 PolarHBondContact O-N 3.34Å; I145-F200 HydrophobicContact CG1-CE1 4.21Å; I145-Y204 HydrophobicContact CB-CE1 4.28Å; I145-Y204 HydrophobicContact CB-CE2 4.49Å; I145-Y204 HydrophobicContact CD1-CD1 3.97Å; I145-Y204 HydrophobicContact CD1-CE1 3.87Å; I145-Y204 HydrophobicContact CG1-CD1 4.15Å; I145-Y204 HydrophobicContact CG1-CD2 4.47Å; I145-Y204 HydrophobicContact CG1-CE1 3.9Å; I145-Y204 HydrophobicContact CG1-CE2 4.25Å; I145-Y204 HydrophobicContact CG1-CG 4.41Å; I145-L222 HydrophobicContact CB-CD2 4.41Å; I145-L222 HydrophobicContact CD1-CD2 3.84Å; I145-L222 HydrophobicContact CG2-CD2 4.21Å; I145-L228 HydrophobicContact CG2-CD1 4.18Å; I145-L228 HydrophobicContact CG2-CD2 3.98Å; I145-L228 HydrophobicContact CG2-CG 4.5Å; I145-I232 HydrophobicContact CD1-CD1 4.48Å; I145-I232 HydrophobicContact CG1-CD1 4.44Å
146L88.4Confident82.9Confident3 Ų339.7 Ų39.72%0.01621%0.21CC..Hα-helixtrans-70.3-39.4178.7-167.961.5000112.8S115 A119 R142 A143 L144 G150 L231 I232 T235S115-L146 PolarHBondContact OG-O 3.28Å; S115-L146 VanDerWaalsContact OG-O 3.05Å; A119-L146 HydrophobicContact CB-CD2 3.2Å; A119-L146 HydrophobicContact CB-CG 4.29Å; R142-L146 WeakPolarHBondContact O-CB 3.49Å; R142-L146 PolarHBondContact O-N 3.11Å; A143-L146 PolarHBondContact O-N 3.22Å; L144-L146 VanDerWaalsContact C-N 3.28Å; L144-L146 PolarHBondContact O-N 3.36Å; L146-G150 PolarHBondContact O-N 3.45Å; L146-L231 HydrophobicContact CD1-CG 4.42Å; L146-L231 HydrophobicContact CD2-CD2 3.73Å; L146-L231 HydrophobicContact CD2-CG 4.14Å; L146-I232 HydrophobicContact CD1-CB 4.37Å; L146-I232 HydrophobicContact CD1-CG1 3.68Å; L146-T235 HydrophobicContact CD1-CG2 4.19Å; L146-T235 WeakPolarHBondContact CD1-OG1 3.23Å
147T89.3Confident84.5Confident22 Ų2231.6 Ų31.614%0.13518%0.175CC..Hα-helixtrans-69-45.6177.1-57.40000111A112 F130 A143 L144 C149 G150 A151A112-T147 HydrophobicContact CB-CG2 3.82Å; F130-T147 HydrophobicContact CE1-CG2 4.21Å; F130-T147 VanDerWaalsContact CE1-OG1 3.31Å; F130-T147 WeakPolarHBondContact CE1-OG1 3.48Å; F130-T147 HydrophobicContact CZ-CG2 3.77Å; F130-T147 WeakPolarHBondContact CZ-OG1 2.93Å; A143-T147 WeakPolarHBondContact O-CB 3.3Å; A143-T147 PolarHBondContact O-N 2.93Å; A143-T147 PolarHBondContact O-OG1 3.4Å; L144-T147 PolarHBondContact O-N 3.49Å; T147-C149 VanDerWaalsContact C-N 3.3Å; T147-C149 PolarHBondContact O-N 3.02Å; T147-G150 PolarHBondContact O-N 3.33Å; T147-A151 PolarHBondContact O-N 3.33Å
148T90Very high85.9Confident46 Ų4626.8 Ų26.828%0.28214%0.143SC..Hα-helixtrans-65.1-34.7176.852.20000111.8L144 I145 A151 F152 Y204L144-T148 HydrophobicContact CD1-CG2 4.16Å; L144-T148 HydrophobicContact CG-CG2 4.42Å; L144-T148 WeakPolarHBondContact O-CB 3.48Å; L144-T148 VanDerWaalsContact O-CG2 3.28Å; L144-T148 WeakPolarHBondContact O-CG2 3.42Å; L144-T148 PolarHBondContact O-N 2.97Å; L144-T148 PolarHBondContact O-OG1 3.38Å; I145-T148 VanDerWaalsContact CA-OG1 3.32Å; I145-T148 WeakPolarHBondContact CA-OG1 3.16Å; I145-T148 PolarHBondContact O-OG1 3.14Å; T148-A151 PolarHBondContact O-N 2.92Å; T148-F152 WeakPolarHBondContact O-CB 3.31Å; T148-F152 PolarHBondContact O-N 3.35Å; T148-Y204 HydrophobicContact CG2-CE2 4.31Å; T148-Y204 VanDerWaalsContact OG1-CE2 3.25Å; T148-Y204 WeakPolarHBondContact OG1-CE2 3.36Å
149C91.6Very high86.8Confident0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-63.9-45171.7-165.30000111.8I145 T147 A151 F152 M153 F200 I232 T236I145-C149 WeakPolarHBondContact O-CB 3.22Å; I145-C149 PolarHBondContact O-N 3.34Å; T147-C149 VanDerWaalsContact C-N 3.3Å; T147-C149 PolarHBondContact O-N 3.02Å; C149-A151 VanDerWaalsContact C-N 3.34Å; C149-A151 PolarHBondContact O-N 2.82Å; C149-F152 PolarHBondContact O-N 3.17Å; C149-M153 VanDerWaalsContact O-CB 3.32Å; C149-M153 WeakPolarHBondContact O-CB 3.39Å; C149-M153 VanDerWaalsContact O-CG 3.23Å; C149-M153 WeakPolarHBondContact O-CG 3.35Å; C149-M153 PolarHBondContact O-N 3.39Å; C149-F200 VanDerWaalsContact CA-CZ 3.43Å; C149-F200 HydrophobicContact CB-CD1 3.99Å; C149-F200 HydrophobicContact CB-CE1 3.47Å; C149-F200 VanDerWaalsContact CB-CE1 3.47Å; C149-F200 HydrophobicContact CB-CE2 4.34Å; C149-F200 HydrophobicContact CB-CZ 3.66Å; C149-F200 VanDerWaalsContact SG-CD1 3.54Å; C149-I232 HydrophobicContact CB-CG2 4.49Å; C149-T236 VanDerWaalsContact SG-CG2 3.53Å
150G92.3Very high87.5Confident1 Ų125.1 Ų25.11%0.0113%0.129CC..Hα-helixtrans-58.4-44173.700000112.8G111 L146 T147 M153 G154G111-G150 VanDerWaalsContact C-C 3.45Å; G111-G150 CarbonylContact C-O 3.46Å; G111-G150 CarbonylContact O-C 3.58Å; G111-G150 WeakPolarHBondContact O-CA 3.46Å; L146-G150 PolarHBondContact O-N 3.45Å; T147-G150 PolarHBondContact O-N 3.33Å; G150-M153 PolarHBondContact O-N 2.95Å; G150-G154 PolarHBondContact O-N 3.48Å
151A93Very high87.7Confident18 Ų1824.5 Ų24.515%0.14913%0.126CC..Hα-helixtrans-60-49.7176.100000112M108 A112 T147 T148 C149 M153 G154 L155M108-A151 HydrophobicContact CG-CB 3.77Å; M108-A151 WeakPolarHBondContact O-CA 3.48Å; A112-A151 HydrophobicContact CB-CB 3.96Å; T147-A151 PolarHBondContact O-N 3.33Å; T148-A151 PolarHBondContact O-N 2.92Å; C149-A151 VanDerWaalsContact C-N 3.34Å; C149-A151 PolarHBondContact O-N 2.82Å; A151-M153 PolarHBondContact O-N 3.08Å; A151-G154 PolarHBondContact O-N 3.32Å; A151-L155 WeakPolarHBondContact O-CB 3.48Å; A151-L155 PolarHBondContact O-N 2.86Å
152F92.7Very high87.7Confident34 Ų3421.2 Ų21.215%0.14911%0.111CC..Hα-helixtrans-60.7-44.5177.6176.4-105.5000112T148 C149 L155 L156 Y199 F200 L203T148-F152 WeakPolarHBondContact O-CB 3.31Å; T148-F152 PolarHBondContact O-N 3.35Å; C149-F152 PolarHBondContact O-N 3.17Å; F152-L155 PolarHBondContact O-N 3.29Å; F152-L156 HydrophobicContact CD1-CD1 3.9Å; F152-L156 HydrophobicContact CD1-CG 4.3Å; F152-L156 HydrophobicContact CD2-CG 4.36Å; F152-L156 HydrophobicContact CE1-CD1 3.2Å; F152-L156 HydrophobicContact CE1-CG 3.93Å; F152-L156 HydrophobicContact CE2-CD1 4.04Å; F152-L156 HydrophobicContact CE2-CD2 4.27Å; F152-L156 HydrophobicContact CE2-CG 3.97Å; F152-L156 HydrophobicContact CZ-CD1 3.29Å; F152-L156 HydrophobicContact CZ-CD2 4.21Å; F152-L156 HydrophobicContact CZ-CG 3.76Å; F152-L156 WeakPolarHBondContact O-CB 3.47Å; F152-L156 WeakPolarHBondContact O-CG 3.45Å; F152-L156 PolarHBondContact O-N 2.98Å; F152-Y199 HydrophobicContact CE1-CD1 4.44Å; F152-Y199 AromaticContact CZ-CD1 3.87Å; F152-Y199 HydrophobicContact CZ-CD1 3.87Å; F152-Y199 HydrophobicContact CZ-CE1 4.07Å; F152-F200 HydrophobicContact CB-CD2 3.84Å; F152-F200 HydrophobicContact CB-CE2 3.82Å; F152-F200 HydrophobicContact CD1-CB 3.95Å; F152-F200 AromaticContact CD1-CD2 3.37Å; F152-F200 HydrophobicContact CD1-CD2 3.37Å; F152-F200 HydrophobicContact CD1-CE2 4.24Å; F152-F200 AromaticContact CD1-CG 4Å; F152-F200 HydrophobicContact CD1-CG 4Å; F152-F200 HydrophobicContact CD2-CD2 4.32Å; F152-F200 HydrophobicContact CE1-CB 3.81Å; F152-F200 AromaticContact CE1-CD2 3.9Å; F152-F200 HydrophobicContact CE1-CD2 3.9Å; F152-F200 HydrophobicContact CE1-CG 4.31Å; F152-F200 AromaticContact CG-CD2 3.59Å; F152-F200 HydrophobicContact CG-CD2 3.59Å; F152-F200 HydrophobicContact CG-CE2 4.06Å; F152-L203 HydrophobicContact CD2-CD2 4.32Å; F152-L203 HydrophobicContact CE2-CD2 3.58Å; F152-L203 HydrophobicContact CZ-CD2 3.92Å
153M92.3Very high87.3Confident0 Ų018.3 Ų18.30%010%0.102CC..Hα-helixtrans-68.2-36.6179.9-72.9-64.1-88.200112.5C149 G150 A151 F157 T193 R196 T236 L239 Q240C149-M153 VanDerWaalsContact O-CB 3.32Å; C149-M153 WeakPolarHBondContact O-CB 3.39Å; C149-M153 VanDerWaalsContact O-CG 3.23Å; C149-M153 WeakPolarHBondContact O-CG 3.35Å; C149-M153 PolarHBondContact O-N 3.39Å; G150-M153 PolarHBondContact O-N 2.95Å; A151-M153 PolarHBondContact O-N 3.08Å; M153-F157 VanDerWaalsContact O-CB 3.24Å; M153-F157 WeakPolarHBondContact O-CB 3.07Å; M153-F157 PolarHBondContact O-N 3.08Å; M153-T193 HydrophobicContact CE-CG2 4.23Å; M153-R196 HydrophobicContact CE-CB 3.73Å; M153-R196 HydrophobicContact CE-CG 4.45Å; M153-R196 HydrophobicContact SD-CB 3.64Å; M153-R196 HydrophobicContact SD-CG 4.38Å; M153-T236 HydrophobicContact CE-CG2 4.38Å; M153-T236 HydrophobicContact CG-CG2 3.73Å; M153-L239 HydrophobicContact CB-CD2 4.23Å; M153-Q240 HydrophobicContact CE-CG 3.58Å; M153-Q240 PolarHBondContact O-NE2 2.84Å; M153-Q240 VanDerWaalsContact O-NE2 3.15Å
154G91.2Very high86.8Confident0 Ų020.9 Ų20.90%012%0.115CC..Hα-helixtrans-63.3-45.517200000112.1G150 A151 F157 S158G150-G154 PolarHBondContact O-N 3.48Å; A151-G154 PolarHBondContact O-N 3.32Å; G154-F157 PolarHBondContact O-N 3.11Å; G154-S158 PolarHBondContact O-N 2.97Å; G154-S158 PolarHBondContact O-OG 3.11Å
155L91.3Very high86.2Confident51 Ų5119.4 Ų19.427%0.26711%0.107SC..Hα-helixtrans-63.3-50176.5179.8145000112M108 A151 F152 F157 S158 I159M108-L155 HydrophobicContact CB-CB 4.35Å; M108-L155 HydrophobicContact CG-CB 4.49Å; M108-L155 HydrophobicContact SD-CD1 4.08Å; A151-L155 WeakPolarHBondContact O-CB 3.48Å; A151-L155 PolarHBondContact O-N 2.86Å; F152-L155 PolarHBondContact O-N 3.29Å; L155-F157 VanDerWaalsContact C-N 3.27Å; L155-F157 PolarHBondContact O-N 3.11Å; L155-S158 PolarHBondContact O-N 2.84Å; L155-I159 HydrophobicContact CD2-CD1 3.47Å; L155-I159 VanDerWaalsContact CD2-CD1 3.47Å; L155-I159 HydrophobicContact CD2-CG1 4.37Å; L155-I159 HydrophobicContact CG-CD1 4.17Å; L155-I159 WeakPolarHBondContact O-CG1 3.43Å; L155-I159 PolarHBondContact O-N 3.31Å
156L89.9Confident85.5Confident40 Ų4022.6 Ų22.621%0.20912%0.121CC..Hα-helixtrans-60.9-38177.3-79.6-168.8000112F152 T160 R196F152-L156 HydrophobicContact CD1-CD1 3.9Å; F152-L156 HydrophobicContact CD1-CG 4.3Å; F152-L156 HydrophobicContact CD2-CG 4.36Å; F152-L156 HydrophobicContact CE1-CD1 3.2Å; F152-L156 HydrophobicContact CE1-CG 3.93Å; F152-L156 HydrophobicContact CE2-CD1 4.04Å; F152-L156 HydrophobicContact CE2-CD2 4.27Å; F152-L156 HydrophobicContact CE2-CG 3.97Å; F152-L156 HydrophobicContact CZ-CD1 3.29Å; F152-L156 HydrophobicContact CZ-CD2 4.21Å; F152-L156 HydrophobicContact CZ-CG 3.76Å; F152-L156 WeakPolarHBondContact O-CB 3.47Å; F152-L156 WeakPolarHBondContact O-CG 3.45Å; F152-L156 PolarHBondContact O-N 2.98Å; L156-T160 WeakPolarHBondContact O-CB 3.4Å; L156-T160 PolarHBondContact O-N 3.42Å; L156-T160 PolarHBondContact O-OG1 3.27Å; L156-R196 HydrophobicContact CD1-CG 4.42Å
157F89.2Confident84.8Confident3 Ų322.9 Ų22.91%0.01312%0.122CC..Hα-helixtrans-62-51176-175.1-96.6000110.8F74 M153 G154 L155 I159 T160 V161 W243 S244 I247F74-F157 HydrophobicContact CE2-CD1 4.49Å; F74-F157 AromaticContact CE2-CE1 3.84Å; F74-F157 HydrophobicContact CE2-CE1 3.84Å; F74-F157 AromaticContact CZ-CD1 3.9Å; F74-F157 HydrophobicContact CZ-CD1 3.9Å; F74-F157 AromaticContact CZ-CE1 3.63Å; F74-F157 HydrophobicContact CZ-CE1 3.63Å; M153-F157 VanDerWaalsContact O-CB 3.24Å; M153-F157 WeakPolarHBondContact O-CB 3.07Å; M153-F157 PolarHBondContact O-N 3.08Å; G154-F157 PolarHBondContact O-N 3.11Å; L155-F157 VanDerWaalsContact C-N 3.27Å; L155-F157 PolarHBondContact O-N 3.11Å; F157-I159 PolarHBondContact O-N 3.07Å; F157-T160 CarbonylContact O-C 3.56Å; F157-T160 WeakPolarHBondContact O-CB 2.97Å; F157-T160 PolarHBondContact O-N 2.81Å; F157-T160 VanDerWaalsContact O-N 3.1Å; F157-V161 HydrophobicContact CD1-CG2 3.75Å; F157-V161 HydrophobicContact CD2-CG2 4.5Å; F157-V161 HydrophobicContact CE1-CG2 3.49Å; F157-V161 VanDerWaalsContact CE1-CG2 3.49Å; F157-V161 HydrophobicContact CE2-CG2 4.27Å; F157-V161 HydrophobicContact CG-CG2 4.31Å; F157-V161 HydrophobicContact CZ-CG2 3.79Å; F157-V161 WeakPolarHBondContact O-CB 3.31Å; F157-V161 VanDerWaalsContact O-CG2 3.26Å; F157-V161 WeakPolarHBondContact O-CG2 3.24Å; F157-V161 PolarHBondContact O-N 3.37Å; F157-W243 HydrophobicContact CB-CE3 4.24Å; F157-W243 HydrophobicContact CD1-CB 4.24Å; F157-W243 HydrophobicContact CD1-CD2 4.47Å; F157-W243 AromaticContact CD1-CE3 3.5Å; F157-W243 HydrophobicContact CD1-CE3 3.5Å; F157-W243 HydrophobicContact CD1-CZ3 4.24Å; F157-W243 HydrophobicContact CE1-CB 3.65Å; F157-W243 AromaticContact CE1-CE3 3.99Å; F157-W243 HydrophobicContact CE1-CE3 3.99Å; F157-W243 HydrophobicContact CE2-CB 4.26Å; F157-W243 HydrophobicContact CG-CE3 4Å; F157-W243 HydrophobicContact CZ-CB 3.66Å; F157-S244 WeakPolarHBondContact CE2-OG 3.26Å; F157-I247 HydrophobicContact CE1-CD1 3.64Å; F157-I247 HydrophobicContact CZ-CD1 3.72Å
158S86.2Confident83.8Confident1 Ų121.9 Ų21.91%0.00712%0.116CC..Hα-helixtrans-62-41179-64.30000112.8S107 G154 L155 T160 V161 L162S107-S158 WeakPolarHBondContact CB-OG 3.35Å; S107-S158 VanDerWaalsContact OG-CB 3.32Å; S107-S158 WeakPolarHBondContact OG-CB 3.35Å; S107-S158 PolarHBondContact OG-OG 3.01Å; G154-S158 PolarHBondContact O-N 2.97Å; G154-S158 PolarHBondContact O-OG 3.11Å; L155-S158 PolarHBondContact O-N 2.84Å; S158-T160 VanDerWaalsContact C-N 3.35Å; S158-T160 PolarHBondContact O-N 3.44Å; S158-V161 PolarHBondContact O-N 3.27Å; S158-L162 WeakPolarHBondContact O-CB 3.38Å; S158-L162 VanDerWaalsContact O-CG 3.27Å; S158-L162 WeakPolarHBondContact O-CG 3.27Å; S158-L162 PolarHBondContact O-N 3.43Å
159I85.9Confident82.8Confident49 Ų4920 Ų2025%0.25111%0.105SC..Hα-helixtrans-59.3-48.2172-70.3177.2000110F95 L104 L155 F157 V161 L162 V163F95-I159 HydrophobicContact CE1-CG1 4.22Å; F95-I159 HydrophobicContact CZ-CG1 4.28Å; F95-I159 HydrophobicContact CZ-CG2 3.94Å; L104-I159 HydrophobicContact CD2-CG1 3.67Å; L155-I159 HydrophobicContact CD2-CD1 3.47Å; L155-I159 VanDerWaalsContact CD2-CD1 3.47Å; L155-I159 HydrophobicContact CD2-CG1 4.37Å; L155-I159 HydrophobicContact CG-CD1 4.17Å; L155-I159 WeakPolarHBondContact O-CG1 3.43Å; L155-I159 PolarHBondContact O-N 3.31Å; F157-I159 PolarHBondContact O-N 3.07Å; I159-V161 VanDerWaalsContact C-N 3.27Å; I159-V161 PolarHBondContact O-N 2.98Å; I159-L162 PolarHBondContact O-N 2.87Å; I159-V163 HydrophobicContact CG2-CG2 3.97Å; I159-V163 VanDerWaalsContact O-CB 3.23Å; I159-V163 WeakPolarHBondContact O-CB 3Å; I159-V163 WeakPolarHBondContact O-CG2 3.26Å; I159-V163 PolarHBondContact O-N 3.31Å
160T83Confident81.7Confident30 Ų3021.3 Ų21.318%0.18411%0.111CC..Hα-helixtrans-59.2-42.5178.4-54.30000111L156 F157 S158 M164 R196L156-T160 WeakPolarHBondContact O-CB 3.4Å; L156-T160 PolarHBondContact O-N 3.42Å; L156-T160 PolarHBondContact O-OG1 3.27Å; F157-T160 CarbonylContact O-C 3.56Å; F157-T160 WeakPolarHBondContact O-CB 2.97Å; F157-T160 PolarHBondContact O-N 2.81Å; F157-T160 VanDerWaalsContact O-N 3.1Å; S158-T160 VanDerWaalsContact C-N 3.35Å; S158-T160 PolarHBondContact O-N 3.44Å; T160-M164 HydrophobicContact CG2-CG 4.11Å; T160-M164 WeakPolarHBondContact O-CB 3.39Å; T160-M164 VanDerWaalsContact O-CG 3.22Å; T160-M164 WeakPolarHBondContact O-CG 3.13Å; T160-M164 PolarHBondContact O-N 3.43Å; T160-R196 PolarHBondContact OG1-NH2 3.29Å
161V82.2Confident80.4Confident2 Ų223.3 Ų23.31%0.01212%0.119CC..Hα-helixtrans-67.7-43.1-177.8167.20000111.5F157 S158 I159 N165 K166 L167 I247F157-V161 HydrophobicContact CD1-CG2 3.75Å; F157-V161 HydrophobicContact CD2-CG2 4.5Å; F157-V161 HydrophobicContact CE1-CG2 3.49Å; F157-V161 VanDerWaalsContact CE1-CG2 3.49Å; F157-V161 HydrophobicContact CE2-CG2 4.27Å; F157-V161 HydrophobicContact CG-CG2 4.31Å; F157-V161 HydrophobicContact CZ-CG2 3.79Å; F157-V161 WeakPolarHBondContact O-CB 3.31Å; F157-V161 VanDerWaalsContact O-CG2 3.26Å; F157-V161 WeakPolarHBondContact O-CG2 3.24Å; F157-V161 PolarHBondContact O-N 3.37Å; S158-V161 PolarHBondContact O-N 3.27Å; I159-V161 VanDerWaalsContact C-N 3.27Å; I159-V161 PolarHBondContact O-N 2.98Å; V161-N165 PolarHBondContact O-N 2.96Å; V161-K166 HydrophobicContact CB-CB 4.43Å; V161-K166 HydrophobicContact CG1-CB 4.2Å; V161-K166 HydrophobicContact CG2-CB 4.39Å; V161-K166 HydrophobicContact CG2-CD 4.49Å; V161-K166 PolarHBondContact O-N 2.95Å; V161-L167 HydrophobicContact CG1-CD1 3.54Å; V161-L167 HydrophobicContact CG1-CD2 4.05Å; V161-L167 HydrophobicContact CG1-CG 3.43Å; V161-L167 VanDerWaalsContact CG1-CG 3.43Å; V161-I247 HydrophobicContact CB-CD1 4.4Å; V161-I247 HydrophobicContact CG1-CD1 3.84Å; V161-I247 HydrophobicContact CG2-CD1 3.56Å
162L78.6Confident78.5Confident23 Ų2325 Ų2512%0.1213%0.129CC..Hα-helixtrans-71.3-45.9178.3-69.7171.8000112.1F95 L104 S158 I159 N165F95-L162 HydrophobicContact CE1-CD1 4.49Å; L104-L162 HydrophobicContact CD2-CD1 4.07Å; L104-L162 HydrophobicContact CG-CD1 4.46Å; S158-L162 WeakPolarHBondContact O-CB 3.38Å; S158-L162 VanDerWaalsContact O-CG 3.27Å; S158-L162 WeakPolarHBondContact O-CG 3.27Å; S158-L162 PolarHBondContact O-N 3.43Å; I159-L162 PolarHBondContact O-N 2.87Å; L162-N165 PolarHBondContact O-N 2.89Å
163V73.2Confident76.6Confident17 Ų1726.9 Ų26.910%0.10315%0.146CC..Hα-helixtrans-69.6-42.5-176.9173.80000111.4I91 F95 I159 N165 F572I91-V163 HydrophobicContact CG2-CG2 3.9Å; F95-V163 HydrophobicContact CE1-CG2 4.32Å; F95-V163 HydrophobicContact CZ-CG2 3.6Å; I159-V163 HydrophobicContact CG2-CG2 3.97Å; I159-V163 VanDerWaalsContact O-CB 3.23Å; I159-V163 WeakPolarHBondContact O-CB 3Å; I159-V163 WeakPolarHBondContact O-CG2 3.26Å; I159-V163 PolarHBondContact O-N 3.31Å; V163-N165 PolarHBondContact O-N 3.08Å; V163-F572 HydrophobicContact CG1-CD1 3.9Å; V163-F572 HydrophobicContact CG1-CE1 3.52Å; V163-F572 WeakPolarHBondContact O-CD1 3.21Å
164M72.3Confident74.9Confident55 Ų5532.5 Ų32.527%0.27118%0.183SC..THydrogen-bonded Turntrans-86.314.5-178.8-55.7-68.8164.700112.5T160 K166 R571T160-M164 HydrophobicContact CG2-CG 4.11Å; T160-M164 WeakPolarHBondContact O-CB 3.39Å; T160-M164 VanDerWaalsContact O-CG 3.22Å; T160-M164 WeakPolarHBondContact O-CG 3.13Å; T160-M164 PolarHBondContact O-N 3.43Å; M164-K166 HydrophobicContact CB-CG 4.08Å; M164-K166 PolarHBondContact O-N 3.06Å; M164-R571 HydrophobicContact CE-CG 4.19Å; M164-R571 HydrophobicContact SD-CG 3.84Å
165N70.7Confident73.5Confident10 Ų1036.3 Ų36.35%0.05320%0.202CC..THydrogen-bonded Turntrans45.537.8-176.2-74.6-49.7000113.4D82 R83 V161 L162 V163 L167 T168 F572D82-N165 HydrophobicContact CB-CB 4.46Å; R83-N165 PolarHBondContact N-ND2 2.7Å; R83-N165 PolarHBondContact N-OD1 2.99Å; R83-N165 VanDerWaalsContact N-OD1 3.13Å; R83-N165 PolarHBondContact O-ND2 3.02Å; V161-N165 PolarHBondContact O-N 2.96Å; L162-N165 PolarHBondContact O-N 2.89Å; V163-N165 PolarHBondContact O-N 3.08Å; N165-L167 PolarHBondContact O-N 3.41Å; N165-T168 HydrophobicContact CB-CG2 4.24Å; N165-T168 PolarHBondContact O-N 3.37Å; N165-T168 VanDerWaalsContact O-N 3.08Å; N165-T168 PolarHBondContact O-OG1 2.85Å; N165-F572 PolarHBondContact ND2-O 3.14Å
166K72.5Confident72Confident69 Ų6935 Ų3530%0.320%0.201SC..THydrogen-bonded Turntrans-69.9-2.2-179.6-70.4-169.9173.3-165.30113.2V161 M164 I247 K251V161-K166 HydrophobicContact CB-CB 4.43Å; V161-K166 HydrophobicContact CG1-CB 4.2Å; V161-K166 HydrophobicContact CG2-CB 4.39Å; V161-K166 HydrophobicContact CG2-CD 4.49Å; V161-K166 PolarHBondContact O-N 2.95Å; M164-K166 HydrophobicContact CB-CG 4.08Å; M164-K166 PolarHBondContact O-N 3.06Å; K166-I247 WeakPolarHBondContact O-CG2 3.3Å; K166-K251 WeakPolarHBondContact O-CE 3.37Å; K166-K251 PolarHBondContact O-NZ 3.46Å
167L73.1Confident71.2Confident10 Ų1039 Ų395%0.05222%0.223CC..THydrogen-bonded Turntrans-101.211.7173.3-66.3167.2000112.8F74 R77 L78 S79 V161 N165 I247F74-L167 HydrophobicContact CB-CD2 3.8Å; F74-L167 HydrophobicContact CD1-CD1 4.11Å; F74-L167 HydrophobicContact CD1-CD2 4.2Å; F74-L167 HydrophobicContact CG-CD2 4.18Å; R77-L167 HydrophobicContact CB-CD1 3.82Å; L78-L167 WeakPolarHBondContact CA-O 3.37Å; L78-L167 WeakPolarHBondContact CD1-O 3.41Å; S79-L167 PolarHBondContact N-O 2.94Å; V161-L167 HydrophobicContact CG1-CD1 3.54Å; V161-L167 HydrophobicContact CG1-CD2 4.05Å; V161-L167 HydrophobicContact CG1-CG 3.43Å; V161-L167 VanDerWaalsContact CG1-CG 3.43Å; N165-L167 PolarHBondContact O-N 3.41Å; L167-I247 HydrophobicContact CD2-CD1 4.21Å; L167-I247 HydrophobicContact CD2-CG1 4.22Å; L167-I247 HydrophobicContact CD2-CG2 4.24Å
168T69.8Low70.6Confident1 Ų141.7 Ų41.71%0.00624%0.237CC..BIsolated β-bridgetrans-95142.517257.80000113.1S79 T81 D82 N165 K251 S574S79-T168 WeakPolarHBondContact O-CA 3.45Å; S79-T168 WeakPolarHBondContact OG-CG2 3.25Å; T81-T168 VanDerWaalsContact O-CG2 3.3Å; T81-T168 WeakPolarHBondContact O-CG2 3.24Å; D82-T168 VanDerWaalsContact OD1-CB 3.23Å; D82-T168 WeakPolarHBondContact OD1-CB 3.44Å; D82-T168 VanDerWaalsContact OD1-CG2 3.25Å; D82-T168 WeakPolarHBondContact OD1-CG2 3.29Å; D82-T168 PolarHBondContact OD1-OG1 3.49Å; N165-T168 HydrophobicContact CB-CG2 4.24Å; N165-T168 PolarHBondContact O-N 3.37Å; N165-T168 VanDerWaalsContact O-N 3.08Å; N165-T168 PolarHBondContact O-OG1 2.85Å; T168-K251 VanDerWaalsContact O-CE 3.23Å; T168-K251 WeakPolarHBondContact O-CE 3.41Å; T168-K251 PolarHBondContact O-NZ 2.97Å; T168-S574 WeakPolarHBondContact OG1-CB 3.4Å; T168-S574 PolarHBondContact OG1-OG 3.23Å; T168-S574 VanDerWaalsContact OG1-OG 3.13Å
169L68.9Low70.1Confident7 Ų750.1 Ų50.14%0.03727%0.273CS..  trans-79.8118.7-178.9-67.9172000110.1L78 S79 V80 Y171 K251 F254 Q255 L283L78-L169 HydrophobicContact CD1-CD2 4.01Å; L78-L169 HydrophobicContact CD1-CG 4.25Å; L78-L169 HydrophobicContact CD2-CD1 4.25Å; L78-L169 HydrophobicContact CD2-CD2 4.19Å; L78-L169 HydrophobicContact CD2-CG 4.37Å; L78-L169 HydrophobicContact CG-CD1 4.46Å; L78-L169 HydrophobicContact CG-CD2 4.33Å; L78-L169 HydrophobicContact CG-CG 4.24Å; S79-L169 PolarHBondContact O-N 3.32Å; V80-L169 HydrophobicContact CG2-CD1 4.28Å; L169-Y171 HydrophobicContact CB-CE2 4.08Å; L169-K251 HydrophobicContact CD2-CB 4.36Å; L169-K251 HydrophobicContact CD2-CG 4.25Å; L169-F254 HydrophobicContact CD1-CB 4.28Å; L169-F254 HydrophobicContact CD2-CB 3.97Å; L169-Q255 HydrophobicContact CD2-CG 4.02Å; L169-L283 HydrophobicContact CD1-CD1 3.64Å
170N68.4Low69.7Low27 Ų2751.6 Ų51.614%0.14429%0.285CS..  trans-104103.6178.2-76.4-9.2000111.5S172 Q255 S574N170-S172 PolarHBondContact O-N 2.83Å; N170-Q255 VanDerWaalsContact C-NE2 3.25Å; N170-Q255 VanDerWaalsContact N-NE2 3.1Å; N170-Q255 PolarHBondContact O-NE2 3.48Å; N170-S574 PolarHBondContact ND2-O 3.12Å; N170-S574 WeakPolarHBondContact OD1-CB 3.26Å; N170-S574 PolarHBondContact OD1-OG 3.37Å
171Y63.6Low69.2Low42 Ų4251.1 Ų51.117%0.16528%0.281CS..THydrogen-bonded Turntrans-74.6-2.2-179-67.6-83.3000114.6L169 H286 L287 E290 Q464 W468L169-Y171 HydrophobicContact CB-CE2 4.08Å; Y171-H286 AromaticContact CE2-CD2 3.76Å; Y171-H286 AromaticContact CE2-NE2 3.31Å; Y171-H286 VanDerWaalsContact CE2-NE2 3.31Å; Y171-H286 WeakPolarHBondContact CE2-NE2 3.03Å; Y171-H286 AromaticContact CZ-CD2 3.95Å; Y171-H286 AromaticContact CZ-NE2 3.91Å; Y171-H286 PolarHBondContact OH-CD2 2.96Å; Y171-L287 WeakPolarHBondContact OH-CD2 3.24Å; Y171-E290 HydrophobicContact CE1-CG 4.46Å; Y171-E290 WeakPolarHBondContact CE1-OE1 3.31Å; Y171-E290 WeakPolarHBondContact CE1-OE2 3.32Å; Y171-E290 VanDerWaalsContact CZ-OE2 3.27Å; Y171-E290 PolarHBondContact OH-OE2 3.49Å; Y171-Q464 HydrophobicContact CD2-CG 3.75Å; Y171-Q464 HydrophobicContact CE2-CG 4.29Å; Y171-Q464 HydrophobicContact CG-CG 4.34Å; Y171-W468 HydrophobicContact CD1-CH2 4.5Å; Y171-W468 HydrophobicContact CD1-CZ2 4.05Å; Y171-W468 HydrophobicContact CD2-CH2 4.18Å; Y171-W468 HydrophobicContact CD2-CZ2 4.09Å; Y171-W468 HydrophobicContact CE1-CH2 4.06Å; Y171-W468 HydrophobicContact CE1-CZ2 4.01Å; Y171-W468 AromaticContact CE2-CH2 3.67Å; Y171-W468 HydrophobicContact CE2-CH2 3.67Å; Y171-W468 HydrophobicContact CE2-CZ2 4.03Å; Y171-W468 HydrophobicContact CG-CZ2 4.06Å; Y171-W468 AromaticContact CZ-CH2 3.56Å; Y171-W468 AromaticContact CZ-CZ2 3.94Å
172S53.5Low68.9Low53 Ų5352.7 Ų52.737%0.37129%0.29SS..THydrogen-bonded Turntrans-82.8-17.617851.30000114N170N170-S172 PolarHBondContact O-N 2.83Å
173C53.8Low69Low74 Ų7458.8 Ų58.850%0.532%0.316SS..SBendtrans-90.3134.4-177.7-700000111.7
174P56Low69.1Low119 Ų11964.1 Ų64.177%0.77334%0.34SS*.  trans-62.6143.2173.827.1-33.4000110.2G176P174-G176 VanDerWaalsContact C-N 3.35Å; P174-G176 PolarHBondContact O-N 2.85Å
175I60.8Low69.2Low80 Ų8062.8 Ų62.841%0.4133%0.333SS..  trans-61.997.6175.6-58.1166.4000107.7K256I175-K256 HydrophobicContact CD1-CG 4.21Å; I175-K256 HydrophobicContact CG2-CG 4.34Å
176G61Low69.7Low24 Ų2466.7 Ų66.725%0.24735%0.352CS..  trans-69136.2179.600000110.9P174P174-G176 VanDerWaalsContact C-N 3.35Å; P174-G176 PolarHBondContact O-N 2.85Å
177N73.7Confident70Confident124 Ų12470.6 Ų70.666%0.66337%0.369SS*.  trans-57.2145.6164-81.4-23.5000109.4F179 V180 I181N177-F179 PolarHBondContact O-N 3.03Å; N177-V180 HydrophobicContact CB-CG2 4.22Å; N177-V180 WeakPolarHBondContact O-CA 3.31Å; N177-V180 WeakPolarHBondContact O-CB 3.31Å; N177-V180 PolarHBondContact O-N 2.83Å; N177-I181 PolarHBondContact O-N 3.46Å; N177-I181 VanDerWaalsContact O-N 3.16Å
178I75.6Confident70.4Confident58 Ų5873.9 Ų73.930%0.29739%0.389SS..Hα-helixtrans-51.4-36.6-179.1-63.7169.8000111.5L17 I21 I181 T182L17-I178 HydrophobicContact CD1-CD1 3.87Å; L17-I178 HydrophobicContact CD2-CD1 3.99Å; I21-I178 HydrophobicContact CD1-CG2 3.78Å; I21-I178 HydrophobicContact CG1-CG2 4.47Å; I178-I181 PolarHBondContact O-N 2.77Å; I178-T182 WeakPolarHBondContact O-CB 3.39Å; I178-T182 PolarHBondContact O-N 3.15Å; I178-T182 PolarHBondContact O-OG1 2.86Å
179F75.8Confident71.1Confident178 Ų17874.6 Ų74.678%0.78139%0.392SS*.Hα-helixtrans-63.5-39175.8-74.5-77.7000113.9N177 T182 K183N177-F179 PolarHBondContact O-N 3.03Å; F179-T182 PolarHBondContact O-N 3.32Å; F179-K183 WeakPolarHBondContact O-CB 3.39Å; F179-K183 PolarHBondContact O-N 2.98Å
180V76.9Confident71.9Confident81 Ų8178 Ų7849%0.49141%0.41SS..Hα-helixtrans-66.1-47.2177.5178.90000109.4N177 T182 K183 E184N177-V180 HydrophobicContact CB-CG2 4.22Å; N177-V180 WeakPolarHBondContact O-CA 3.31Å; N177-V180 WeakPolarHBondContact O-CB 3.31Å; N177-V180 PolarHBondContact O-N 2.83Å; V180-T182 VanDerWaalsContact C-N 3.33Å; V180-T182 PolarHBondContact O-N 3.44Å; V180-K183 PolarHBondContact O-N 2.93Å; V180-E184 WeakPolarHBondContact O-CB 3.05Å; V180-E184 PolarHBondContact O-N 2.92Å
181I73.8Confident72.7Confident20 Ų2083.1 Ų83.110%0.10344%0.436CS..Hα-helixtrans-55.8-49.9175.7-62172.6000110.1N177 I178 K183 E184 H185 D248N177-I181 PolarHBondContact O-N 3.46Å; N177-I181 VanDerWaalsContact O-N 3.16Å; I178-I181 PolarHBondContact O-N 2.77Å; I181-K183 PolarHBondContact O-N 2.69Å; I181-E184 PolarHBondContact O-N 3.32Å; I181-H185 PolarHBondContact O-CD2 3.06Å; I181-H185 PolarHBondContact O-N 2.78Å; I181-H185 VanDerWaalsContact O-N 3.14Å; I181-D248 HydrophobicContact CG2-CB 3.82Å
182T75.3Confident73.7Confident34 Ų3483.4 Ų83.421%0.20944%0.443CS..Hα-helixtrans-60.5-45.4-178.7-55.60000111.7I178 F179 V180 M186 F241I178-T182 WeakPolarHBondContact O-CB 3.39Å; I178-T182 PolarHBondContact O-N 3.15Å; I178-T182 PolarHBondContact O-OG1 2.86Å; F179-T182 PolarHBondContact O-N 3.32Å; V180-T182 VanDerWaalsContact C-N 3.33Å; V180-T182 PolarHBondContact O-N 3.44Å; T182-M186 PolarHBondContact O-N 3.03Å; T182-M186 VanDerWaalsContact O-N 3.07Å; T182-F241 HydrophobicContact CG2-CZ 3.75Å
183K81.4Confident75.3Confident152 Ų15280.9 Ų80.966%0.66143%0.425SS*.Hα-helixtrans-65.8-45.4-178.8-177-179.1177.1-1780112.2F179 V180 I181 H185 M186F179-K183 WeakPolarHBondContact O-CB 3.39Å; F179-K183 PolarHBondContact O-N 2.98Å; V180-K183 PolarHBondContact O-N 2.93Å; I181-K183 PolarHBondContact O-N 2.69Å; K183-H185 VanDerWaalsContact C-N 3.32Å; K183-H185 PolarHBondContact O-N 3.49Å; K183-M186 PolarHBondContact O-N 2.9Å
184E74.2Confident77Confident128 Ų12880 Ų8060%0.59842%0.417SS*.Hα-helixtrans-64.7-38.2-178.3-171.217717300111.8V180 I181 T188V180-E184 WeakPolarHBondContact O-CB 3.05Å; V180-E184 PolarHBondContact O-N 2.92Å; I181-E184 PolarHBondContact O-N 3.32Å; E184-T188 PolarHBondContact O-OG1 3.49Å
185H75.4Confident78.5Confident27 Ų2776.4 Ų76.413%0.12540%0.402CS..Hα-helixtrans-75.4-31.7177.2-69.5-46.4000113.6I181 K183 F187 T188 R189 F241 D248I181-H185 PolarHBondContact O-CD2 3.06Å; I181-H185 PolarHBondContact O-N 2.78Å; I181-H185 VanDerWaalsContact O-N 3.14Å; K183-H185 VanDerWaalsContact C-N 3.32Å; K183-H185 PolarHBondContact O-N 3.49Å; H185-F187 PolarHBondContact O-N 2.86Å; H185-T188 PolarHBondContact O-N 3.43Å; H185-R189 HydrophobicContact CB-CG 4.05Å; H185-R189 WeakPolarHBondContact O-CA 3.42Å; H185-R189 WeakPolarHBondContact O-CB 3.34Å; H185-R189 WeakPolarHBondContact O-CG 3.27Å; H185-R189 PolarHBondContact O-N 3.46Å; H185-F241 HydrophobicContact CB-CE2 4.35Å; H185-D248 IonicContact CD2-OD2 4Å; H185-D248 IonicContact CE1-OD2 2.55Å; H185-D248 PolarHBondContact CE1-OD2 2.8Å; H185-D248 IonicContact NE2-OD2 3.12Å; H185-D248 PolarHBondContact NE2-OD2 3.46Å
186M80Confident79.8Confident93 Ų9374.5 Ų74.546%0.45839%0.39SS..Hα-helixtrans-56.5-52.4-172.3-147.7-157.7-70.800112.5T182 K183 L190 F237 F241T182-M186 PolarHBondContact O-N 3.03Å; T182-M186 VanDerWaalsContact O-N 3.07Å; K183-M186 PolarHBondContact O-N 2.9Å; M186-L190 VanDerWaalsContact O-CB 3.31Å; M186-L190 WeakPolarHBondContact O-CB 3.49Å; M186-L190 PolarHBondContact O-N 2.8Å; M186-F237 HydrophobicContact CG-CZ 4.11Å; M186-F241 HydrophobicContact CB-CE2 4.09Å; M186-F241 HydrophobicContact CG-CE2 4.04Å
187F79.7Confident81.1Confident151 Ų15173.8 Ų73.866%0.66238%0.38SS*.Hα-helixtrans-71.2-47.7-178.8-70.7-75.8000112.9H185 R189 L190 L191H185-F187 PolarHBondContact O-N 2.86Å; F187-R189 VanDerWaalsContact C-N 3.26Å; F187-R189 PolarHBondContact O-N 3.36Å; F187-L190 PolarHBondContact O-N 3.1Å; F187-L191 PolarHBondContact O-N 3.31Å; F187-L191 VanDerWaalsContact O-N 3.1Å
188T81.2Confident81.7Confident78 Ų7873.3 Ų73.348%0.47938%0.377SS..Hα-helixtrans-59.8-41.6-179.7-520000110.8E184 H185 T192E184-T188 PolarHBondContact O-OG1 3.49Å; H185-T188 PolarHBondContact O-N 3.43Å; T188-T192 VanDerWaalsContact O-CG2 3.26Å; T188-T192 WeakPolarHBondContact O-CG2 3.28Å; T188-T192 PolarHBondContact O-N 3.22Å; T188-T192 VanDerWaalsContact O-N 3.1Å; T188-T192 PolarHBondContact O-OG1 3.05Å
189R84.7Confident82.2Confident17 Ų1777.4 Ų77.46%0.06439%0.39CS..Hα-helixtrans-74.8-37.4-179.5-61-51.8177.4155.811.3112.4H185 F187 L191 T192 T193 F237 S244H185-R189 HydrophobicContact CB-CG 4.05Å; H185-R189 WeakPolarHBondContact O-CA 3.42Å; H185-R189 WeakPolarHBondContact O-CB 3.34Å; H185-R189 WeakPolarHBondContact O-CG 3.27Å; H185-R189 PolarHBondContact O-N 3.46Å; F187-R189 VanDerWaalsContact C-N 3.26Å; F187-R189 PolarHBondContact O-N 3.36Å; R189-L191 PolarHBondContact O-N 2.88Å; R189-T192 WeakPolarHBondContact CA-OG1 3.35Å; R189-T192 PolarHBondContact O-N 2.93Å; R189-T192 PolarHBondContact O-OG1 3.25Å; R189-T193 VanDerWaalsContact O-CB 3.32Å; R189-T193 WeakPolarHBondContact O-CB 2.9Å; R189-T193 PolarHBondContact O-N 2.66Å; R189-T193 PolarHBondContact O-OG1 2.91Å; R189-F237 HydrophobicContact CB-CE2 4.48Å; R189-S244 PolarHBondContact NE-OG 2.75Å; R189-S244 VanDerWaalsContact NE-OG 3.15Å; R189-S244 PolarHBondContact NH2-OG 3.24Å; R189-S244 VanDerWaalsContact NH2-OG 3.09Å
190L84.7Confident82.8Confident78 Ų7869.4 Ų69.441%0.40836%0.355SS..Hα-helixtrans-56-51.2173-176.163.8000111.1M186 F187 T192 T193 V194 F237M186-L190 VanDerWaalsContact O-CB 3.31Å; M186-L190 WeakPolarHBondContact O-CB 3.49Å; M186-L190 PolarHBondContact O-N 2.8Å; F187-L190 PolarHBondContact O-N 3.1Å; L190-T192 PolarHBondContact O-N 2.9Å; L190-T193 WeakPolarHBondContact O-CB 3.32Å; L190-T193 PolarHBondContact O-N 3.44Å; L190-T193 VanDerWaalsContact O-N 3.15Å; L190-V194 WeakPolarHBondContact O-CG2 3.43Å; L190-V194 PolarHBondContact O-N 3.49Å; L190-F237 HydrophobicContact CB-CD2 4.27Å; L190-F237 HydrophobicContact CB-CE2 3.99Å; L190-F237 HydrophobicContact CD1-CD2 4.05Å; L190-F237 HydrophobicContact CD1-CE2 4.29Å; L190-F237 HydrophobicContact CD1-CG 4.45Å
191L85.7Confident83.2Confident134 Ų13466.6 Ų66.670%0.70234%0.337SS*.Hα-helixtrans-63.6-44.4-179.3-170.865.6000112.4F187 R189 T193 V194 G195F187-L191 PolarHBondContact O-N 3.31Å; F187-L191 VanDerWaalsContact O-N 3.1Å; R189-L191 PolarHBondContact O-N 2.88Å; L191-T193 VanDerWaalsContact C-N 3.25Å; L191-T193 PolarHBondContact O-N 3.05Å; L191-V194 PolarHBondContact O-N 2.9Å; L191-G195 PolarHBondContact O-N 3.48Å
192T84.5Confident83.7Confident49 Ų4969.2 Ų69.230%0.30136%0.355SS..Hα-helixtrans-64.8-30.5176.160.30000112.8T188 R189 L190 R196T188-T192 VanDerWaalsContact O-CG2 3.26Å; T188-T192 WeakPolarHBondContact O-CG2 3.28Å; T188-T192 PolarHBondContact O-N 3.22Å; T188-T192 VanDerWaalsContact O-N 3.1Å; T188-T192 PolarHBondContact O-OG1 3.05Å; R189-T192 WeakPolarHBondContact CA-OG1 3.35Å; R189-T192 PolarHBondContact O-N 2.93Å; R189-T192 PolarHBondContact O-OG1 3.25Å; L190-T192 PolarHBondContact O-N 2.9Å; T192-R196 WeakPolarHBondContact O-CB 3.5Å; T192-R196 WeakPolarHBondContact O-CG 3.34Å; T192-R196 PolarHBondContact O-N 3.28Å
193T87.6Confident84.2Confident0 Ų070.6 Ų70.60%036%0.361CS..Hα-helixtrans-69.2-47.9176.9-56.70000110M153 R189 L190 L191 G195 R196 V197 L233 T236 F237M153-T193 HydrophobicContact CE-CG2 4.23Å; R189-T193 VanDerWaalsContact O-CB 3.32Å; R189-T193 WeakPolarHBondContact O-CB 2.9Å; R189-T193 PolarHBondContact O-N 2.66Å; R189-T193 PolarHBondContact O-OG1 2.91Å; L190-T193 WeakPolarHBondContact O-CB 3.32Å; L190-T193 PolarHBondContact O-N 3.44Å; L190-T193 VanDerWaalsContact O-N 3.15Å; L191-T193 VanDerWaalsContact C-N 3.25Å; L191-T193 PolarHBondContact O-N 3.05Å; T193-G195 VanDerWaalsContact C-N 3.32Å; T193-G195 PolarHBondContact O-N 3.05Å; T193-R196 PolarHBondContact O-N 3.48Å; T193-V197 HydrophobicContact CG2-CG2 4.23Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 2.98Å; T193-V197 PolarHBondContact O-N 3.11Å; T193-L233 HydrophobicContact CG2-CD1 4.14Å; T193-T236 WeakPolarHBondContact CG2-OG1 3.46Å; T193-F237 HydrophobicContact CG2-CB 4.04Å
194V88.6Confident84.3Confident55 Ų5565.2 Ų65.233%0.33334%0.337SS..Hα-helixtrans-54.6-50.2175174.30000110.4L190 L191 R196 V197 L198 L233L190-V194 WeakPolarHBondContact O-CG2 3.43Å; L190-V194 PolarHBondContact O-N 3.49Å; L191-V194 PolarHBondContact O-N 2.9Å; V194-R196 VanDerWaalsContact C-N 3.35Å; V194-R196 PolarHBondContact O-N 3.36Å; V194-V197 PolarHBondContact O-N 3.43Å; V194-L198 HydrophobicContact CG1-CD1 3.97Å; V194-L198 HydrophobicContact CG1-CG 4.46Å; V194-L198 WeakPolarHBondContact O-CB 3.39Å; V194-L198 VanDerWaalsContact O-CG 3.29Å; V194-L198 WeakPolarHBondContact O-CG 3.33Å; V194-L198 PolarHBondContact O-N 3.46Å; V194-L233 HydrophobicContact CG2-CD1 3.8Å
195G88.1Confident84.6Confident43 Ų4359.8 Ų59.844%0.44331%0.314SS..Hα-helixtrans-60.4-39.7178.700000113.8L191 T193 Y199L191-G195 PolarHBondContact O-N 3.48Å; T193-G195 VanDerWaalsContact C-N 3.32Å; T193-G195 PolarHBondContact O-N 3.05Å; G195-Y199 PolarHBondContact O-N 2.95Å; G195-Y199 VanDerWaalsContact O-N 3.16Å
196R88.5Confident84.8Confident41 Ų4163.3 Ų63.316%0.15534%0.337CS..Hα-helixtrans-72.5-37.4178.7-73.8173.2179.9-165.5-3.6113.1M153 L156 T160 T192 T193 V194 Y199 F200 Q240M153-R196 HydrophobicContact CE-CB 3.73Å; M153-R196 HydrophobicContact CE-CG 4.45Å; M153-R196 HydrophobicContact SD-CB 3.64Å; M153-R196 HydrophobicContact SD-CG 4.38Å; L156-R196 HydrophobicContact CD1-CG 4.42Å; T160-R196 PolarHBondContact OG1-NH2 3.29Å; T192-R196 WeakPolarHBondContact O-CB 3.5Å; T192-R196 WeakPolarHBondContact O-CG 3.34Å; T192-R196 PolarHBondContact O-N 3.28Å; T193-R196 PolarHBondContact O-N 3.48Å; V194-R196 VanDerWaalsContact C-N 3.35Å; V194-R196 PolarHBondContact O-N 3.36Å; R196-Y199 PolarHBondContact O-N 3.28Å; R196-F200 WeakPolarHBondContact O-CB 3.35Å; R196-F200 PolarHBondContact O-N 2.93Å; R196-Q240 VanDerWaalsContact NH1-CD 3.29Å
197V87.5Confident84.8Confident8 Ų861.6 Ų61.65%0.04833%0.334CS..Hα-helixtrans-65.7-43.2175.21720000110.1T193 V194 Y199 F200 L201 I232 T236T193-V197 HydrophobicContact CG2-CG2 4.23Å; T193-V197 VanDerWaalsContact O-CG2 3.32Å; T193-V197 WeakPolarHBondContact O-CG2 2.98Å; T193-V197 PolarHBondContact O-N 3.11Å; V194-V197 PolarHBondContact O-N 3.43Å; V197-Y199 PolarHBondContact O-N 2.65Å; V197-F200 PolarHBondContact O-N 2.99Å; V197-F200 VanDerWaalsContact O-N 3.1Å; V197-L201 HydrophobicContact CG1-CD1 4.39Å; V197-L201 WeakPolarHBondContact O-CG 3.05Å; V197-L201 PolarHBondContact O-N 3.03Å; V197-L201 VanDerWaalsContact O-N 3.08Å; V197-I232 HydrophobicContact CG1-CG2 3.86Å; V197-I232 HydrophobicContact CG2-CG2 4.16Å; V197-T236 HydrophobicContact CG2-CG2 4.3Å; V197-T236 WeakPolarHBondContact CG2-OG1 3.46Å
198L87Confident84.5Confident115 Ų11555.6 Ų55.660%0.60231%0.31SS*.Hα-helixtrans-60.4-32.1174.7-72.4173.7000112.8V194 P202V194-L198 HydrophobicContact CG1-CD1 3.97Å; V194-L198 HydrophobicContact CG1-CG 4.46Å; V194-L198 WeakPolarHBondContact O-CB 3.39Å; V194-L198 VanDerWaalsContact O-CG 3.29Å; V194-L198 WeakPolarHBondContact O-CG 3.33Å; V194-L198 PolarHBondContact O-N 3.46Å; L198-P202 WeakPolarHBondContact O-CD 3.24Å; L198-P202 WeakPolarHBondContact O-CG 3.34Å
199Y86.6Confident83.8Confident144 Ų14455.5 Ų55.557%0.56531%0.307SS*.Hα-helixtrans-77-35.7173.2-176.4-93.9000112.9F152 G195 R196 V197 P202 L203F152-Y199 HydrophobicContact CE1-CD1 4.44Å; F152-Y199 AromaticContact CZ-CD1 3.87Å; F152-Y199 HydrophobicContact CZ-CD1 3.87Å; F152-Y199 HydrophobicContact CZ-CE1 4.07Å; G195-Y199 PolarHBondContact O-N 2.95Å; G195-Y199 VanDerWaalsContact O-N 3.16Å; R196-Y199 PolarHBondContact O-N 3.28Å; V197-Y199 PolarHBondContact O-N 2.65Å; Y199-P202 WeakPolarHBondContact O-CD 3.38Å; Y199-P202 WeakPolarHBondContact O-CG 3.46Å; Y199-L203 HydrophobicContact CE1-CD2 4.13Å; Y199-L203 WeakPolarHBondContact O-CB 3.34Å; Y199-L203 PolarHBondContact O-N 3.3Å
200F88.4Confident82.9Confident9 Ų961.2 Ų61.24%0.03934%0.338CS..Hα-helixtrans-66.6-43.4-179.4173.6-102.2000112.9I145 C149 F152 R196 V197 L203 Y204I145-F200 HydrophobicContact CG1-CE1 4.21Å; C149-F200 VanDerWaalsContact CA-CZ 3.43Å; C149-F200 HydrophobicContact CB-CD1 3.99Å; C149-F200 HydrophobicContact CB-CE1 3.47Å; C149-F200 VanDerWaalsContact CB-CE1 3.47Å; C149-F200 HydrophobicContact CB-CE2 4.34Å; C149-F200 HydrophobicContact CB-CZ 3.66Å; C149-F200 VanDerWaalsContact SG-CD1 3.54Å; F152-F200 HydrophobicContact CB-CD2 3.84Å; F152-F200 HydrophobicContact CB-CE2 3.82Å; F152-F200 HydrophobicContact CD1-CB 3.95Å; F152-F200 AromaticContact CD1-CD2 3.37Å; F152-F200 HydrophobicContact CD1-CD2 3.37Å; F152-F200 HydrophobicContact CD1-CE2 4.24Å; F152-F200 AromaticContact CD1-CG 4Å; F152-F200 HydrophobicContact CD1-CG 4Å; F152-F200 HydrophobicContact CD2-CD2 4.32Å; F152-F200 HydrophobicContact CE1-CB 3.81Å; F152-F200 AromaticContact CE1-CD2 3.9Å; F152-F200 HydrophobicContact CE1-CD2 3.9Å; F152-F200 HydrophobicContact CE1-CG 4.31Å; F152-F200 AromaticContact CG-CD2 3.59Å; F152-F200 HydrophobicContact CG-CD2 3.59Å; F152-F200 HydrophobicContact CG-CE2 4.06Å; R196-F200 WeakPolarHBondContact O-CB 3.35Å; R196-F200 PolarHBondContact O-N 2.93Å; V197-F200 PolarHBondContact O-N 2.99Å; V197-F200 VanDerWaalsContact O-N 3.1Å; F200-L203 PolarHBondContact O-N 2.99Å; F200-Y204 HydrophobicContact CE1-CD2 4.26Å; F200-Y204 HydrophobicContact CE1-CG 4.3Å; F200-Y204 HydrophobicContact CE2-CD2 4.23Å; F200-Y204 AromaticContact CZ-CD2 3.6Å; F200-Y204 HydrophobicContact CZ-CD2 3.6Å; F200-Y204 HydrophobicContact CZ-CE2 4.46Å; F200-Y204 HydrophobicContact CZ-CG 4.03Å; F200-Y204 WeakPolarHBondContact O-CB 3.44Å; F200-Y204 PolarHBondContact O-N 3.39Å
201L85.5Confident81.8Confident23 Ų2365.2 Ų65.212%0.1235%0.352CS..Hα-helixtrans-55.3-51.5-176.9-69.1171.9000114V197 Y204 A205V197-L201 HydrophobicContact CG1-CD1 4.39Å; V197-L201 WeakPolarHBondContact O-CG 3.05Å; V197-L201 PolarHBondContact O-N 3.03Å; V197-L201 VanDerWaalsContact O-N 3.08Å; L201-Y204 PolarHBondContact O-N 3.28Å; L201-A205 PolarHBondContact O-N 3.43Å
202P83.1Confident80.7Confident74 Ų7466.6 Ų66.648%0.48135%0.348SS..Hα-helixtrans-68.5-35.2176.426.9-34.3000112.1L198 Y199 A205 V206L198-P202 WeakPolarHBondContact O-CD 3.24Å; L198-P202 WeakPolarHBondContact O-CG 3.34Å; Y199-P202 WeakPolarHBondContact O-CD 3.38Å; Y199-P202 WeakPolarHBondContact O-CG 3.46Å; P202-A205 WeakPolarHBondContact O-CB 3.47Å; P202-A205 PolarHBondContact O-N 2.87Å; P202-V206 WeakPolarHBondContact O-CG2 3.29Å; P202-V206 PolarHBondContact O-N 3.46Å
203L85.3Confident79.3Confident63 Ų6373 Ų7333%0.3337%0.374SS..Hα-helixtrans-62.2-45.1176.3-175.470.8000111.2F152 Y199 F200 A205 V206 C207F152-L203 HydrophobicContact CD2-CD2 4.32Å; F152-L203 HydrophobicContact CE2-CD2 3.58Å; F152-L203 HydrophobicContact CZ-CD2 3.92Å; Y199-L203 HydrophobicContact CE1-CD2 4.13Å; Y199-L203 WeakPolarHBondContact O-CB 3.34Å; Y199-L203 PolarHBondContact O-N 3.3Å; F200-L203 PolarHBondContact O-N 2.99Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 2.86Å; L203-V206 PolarHBondContact O-N 2.73Å; L203-C207 PolarHBondContact O-N 2.97Å; L203-C207 PolarHBondContact O-SG 3.07Å; L203-C207 VanDerWaalsContact O-SG 3.37Å
204Y84.6Confident77.7Confident39 Ų3977.8 Ų77.815%0.15341%0.406CS..Hα-helixtrans-62.7-39.8176.1-175.2-88.7000111.2I145 T148 F200 L201 V206 C207 S208 F219I145-Y204 HydrophobicContact CB-CE1 4.28Å; I145-Y204 HydrophobicContact CB-CE2 4.49Å; I145-Y204 HydrophobicContact CD1-CD1 3.97Å; I145-Y204 HydrophobicContact CD1-CE1 3.87Å; I145-Y204 HydrophobicContact CG1-CD1 4.15Å; I145-Y204 HydrophobicContact CG1-CD2 4.47Å; I145-Y204 HydrophobicContact CG1-CE1 3.9Å; I145-Y204 HydrophobicContact CG1-CE2 4.25Å; I145-Y204 HydrophobicContact CG1-CG 4.41Å; T148-Y204 HydrophobicContact CG2-CE2 4.31Å; T148-Y204 VanDerWaalsContact OG1-CE2 3.25Å; T148-Y204 WeakPolarHBondContact OG1-CE2 3.36Å; F200-Y204 HydrophobicContact CE1-CD2 4.26Å; F200-Y204 HydrophobicContact CE1-CG 4.3Å; F200-Y204 HydrophobicContact CE2-CD2 4.23Å; F200-Y204 AromaticContact CZ-CD2 3.6Å; F200-Y204 HydrophobicContact CZ-CD2 3.6Å; F200-Y204 HydrophobicContact CZ-CE2 4.46Å; F200-Y204 HydrophobicContact CZ-CG 4.03Å; F200-Y204 WeakPolarHBondContact O-CB 3.44Å; F200-Y204 PolarHBondContact O-N 3.39Å; L201-Y204 PolarHBondContact O-N 3.28Å; Y204-V206 VanDerWaalsContact C-N 3.35Å; Y204-V206 PolarHBondContact O-N 2.8Å; Y204-C207 PolarHBondContact O-N 3.34Å; Y204-S208 VanDerWaalsContact O-CB 3.26Å; Y204-S208 WeakPolarHBondContact O-CB 3.42Å; Y204-S208 PolarHBondContact O-N 3.39Å; Y204-S208 PolarHBondContact O-OG 3.23Å; Y204-F219 AromaticContact CD1-CE2 3.64Å; Y204-F219 HydrophobicContact CD1-CE2 3.64Å; Y204-F219 HydrophobicContact CD1-CZ 4.31Å; Y204-F219 HydrophobicContact CE1-CD2 4.49Å; Y204-F219 AromaticContact CE1-CE2 3.99Å; Y204-F219 HydrophobicContact CE1-CE2 3.99Å
205A79.3Confident76.4Confident15 Ų1581.1 Ų81.112%0.12442%0.418CS..Hα-helixtrans-58.9-43.6174.700000112.8L201 P202 L203 S208 N209 F219L201-A205 PolarHBondContact O-N 3.43Å; P202-A205 WeakPolarHBondContact O-CB 3.47Å; P202-A205 PolarHBondContact O-N 2.87Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 2.86Å; A205-S208 PolarHBondContact O-OG 2.86Å; A205-N209 WeakPolarHBondContact O-CB 3.37Å; A205-N209 PolarHBondContact O-N 2.84Å; A205-N209 PolarHBondContact O-ND2 3.43Å; A205-N209 VanDerWaalsContact O-ND2 3.13Å; A205-F219 HydrophobicContact CB-CD1 4.13Å; A205-F219 HydrophobicContact CB-CE1 3.17Å; A205-F219 HydrophobicContact CB-CE2 4.4Å; A205-F219 HydrophobicContact CB-CZ 3.34Å
206V80.8Confident75.2Confident101 Ų10186.6 Ų86.661%0.61243%0.425SS*.Hα-helixtrans-69.9-44.6179.9173.20000110.5P202 L203 Y204 L210P202-V206 WeakPolarHBondContact O-CG2 3.29Å; P202-V206 PolarHBondContact O-N 3.46Å; L203-V206 PolarHBondContact O-N 2.73Å; Y204-V206 VanDerWaalsContact C-N 3.35Å; Y204-V206 PolarHBondContact O-N 2.8Å; V206-L210 PolarHBondContact O-N 3.41Å
207C79.5Confident73.8Confident57 Ų5790.7 Ų90.739%0.38545%0.449SS..Hα-helixtrans-67.8-39.9178.8-68.70000112.5L203 Y204 N209 L210 F211L203-C207 PolarHBondContact O-N 2.97Å; L203-C207 PolarHBondContact O-SG 3.07Å; L203-C207 VanDerWaalsContact O-SG 3.37Å; Y204-C207 PolarHBondContact O-N 3.34Å; C207-N209 PolarHBondContact O-N 3.02Å; C207-L210 PolarHBondContact O-N 3.25Å; C207-L210 VanDerWaalsContact O-N 3.15Å; C207-F211 WeakPolarHBondContact O-CD2 3.33Å; C207-F211 PolarHBondContact O-N 3.22Å
208S72.5Confident72.9Confident25 Ų2592.3 Ų92.318%0.17546%0.461CS..Hα-helixtrans-63.8-42.2178.863.30000111.4Y204 A205 L210 F211 W212Y204-S208 VanDerWaalsContact O-CB 3.26Å; Y204-S208 WeakPolarHBondContact O-CB 3.42Å; Y204-S208 PolarHBondContact O-N 3.39Å; Y204-S208 PolarHBondContact O-OG 3.23Å; A205-S208 PolarHBondContact O-OG 2.86Å; S208-L210 PolarHBondContact O-N 3.43Å; S208-F211 PolarHBondContact O-N 2.59Å; S208-W212 PolarHBondContact O-N 2.92Å
209N67.2Low72.1Confident76 Ų7687.9 Ų87.941%0.40644%0.437SS..Hα-helixtrans-62.1-27174.7-74.4-23.7000113.5A205 C207A205-N209 WeakPolarHBondContact O-CB 3.37Å; A205-N209 PolarHBondContact O-N 2.84Å; A205-N209 PolarHBondContact O-ND2 3.43Å; A205-N209 VanDerWaalsContact O-ND2 3.13Å; C207-N209 PolarHBondContact O-N 3.02Å
210L66.1Low71.3Confident137 Ų13784.6 Ų84.672%0.71743%0.428SS*.Hα-helixtrans-80.2-34-179.3-163.374.6000112.6V206 C207 S208V206-L210 PolarHBondContact O-N 3.41Å; C207-L210 PolarHBondContact O-N 3.25Å; C207-L210 VanDerWaalsContact O-N 3.15Å; S208-L210 PolarHBondContact O-N 3.43Å
211F62.2Low70.7Confident162 Ų16292.8 Ų92.871%0.71146%0.459SS*.Hα-helixtrans-106.1-22.3-171.8-74.6-76.4000114.1C207 S208C207-F211 WeakPolarHBondContact O-CD2 3.33Å; C207-F211 PolarHBondContact O-N 3.22Å; S208-F211 PolarHBondContact O-N 2.59Å
212W61Low70.1Confident162 Ų16292.5 Ų92.561%0.61446%0.458SS*.SBendtrans-127.1135.7-173.1-63.662.4000109.6S208S208-W212 PolarHBondContact O-N 2.92Å
213H56.1Low69.7Low183 Ų18391.7 Ų91.785%0.84745%0.449SS*.  trans-44.2144.6-179.6-108.1-69000112.5Q215H213-Q215 PolarHBondContact O-N 2.6Å
214P53.6Low69.4Low102 Ų10294.3 Ų94.366%0.66246%0.462SS*.  trans-74.591.3-164.731.5-32.3000110.6
215Q61.9Low69.3Low125 Ų12593.9 Ų93.958%0.58446%0.463SS*.  trans-103.760.6160.4-68-168.1-5.500109.6H213 L217 S218 F219H213-Q215 PolarHBondContact O-N 2.6Å; Q215-L217 PolarHBondContact O-N 3.04Å; Q215-L217 VanDerWaalsContact O-N 3.14Å; Q215-S218 WeakPolarHBondContact O-CB 3.42Å; Q215-S218 PolarHBondContact O-N 3.16Å; Q215-S218 PolarHBondContact OE1-OG 3.47Å; Q215-S218 VanDerWaalsContact OE1-OG 3.1Å; Q215-F219 PolarHBondContact O-N 2.83Å
216W62.6Low69.5Low158 Ų15899.6 Ų99.660%0.59849%0.49SS*.Hα-helixtrans-55.5-33-178.9-162.261.1000112.4F219 I220W216-F219 WeakPolarHBondContact O-CB 3.2Å; W216-F219 PolarHBondContact O-N 2.66Å; W216-I220 HydrophobicContact CD2-CD1 4.05Å; W216-I220 HydrophobicContact CE3-CD1 3.77Å; W216-I220 HydrophobicContact CH2-CD1 4.12Å; W216-I220 HydrophobicContact CZ2-CD1 4.38Å; W216-I220 HydrophobicContact CZ3-CD1 3.81Å; W216-I220 WeakPolarHBondContact O-CG1 3.27Å; W216-I220 PolarHBondContact O-N 3.4Å; W216-I220 VanDerWaalsContact O-N 3.12Å
217L58.9Low69.7Low126 Ų126103.9 Ų103.966%0.6650%0.495SS*.Hα-helixtrans-61.1-46.3174.1-77.3154.5000112.6Q215 F219 I220 W221Q215-L217 PolarHBondContact O-N 3.04Å; Q215-L217 VanDerWaalsContact O-N 3.14Å; L217-F219 PolarHBondContact O-N 3.24Å; L217-I220 PolarHBondContact O-N 2.62Å; L217-W221 PolarHBondContact O-N 2.82Å; L217-W221 VanDerWaalsContact O-N 3.17Å
218S68.5Low70Confident43 Ų43101.2 Ų101.230%0.30148%0.477SS..Hα-helixtrans-61.1-34.4178.1-56.90000111.4Q215 L222Q215-S218 WeakPolarHBondContact O-CB 3.42Å; Q215-S218 PolarHBondContact O-N 3.16Å; Q215-S218 PolarHBondContact OE1-OG 3.47Å; Q215-S218 VanDerWaalsContact OE1-OG 3.1Å; S218-L222 WeakPolarHBondContact O-CB 3.18Å; S218-L222 PolarHBondContact O-N 3.26Å
219F69.8Low70.7Confident21 Ų21103.1 Ų103.19%0.09248%0.484CS..Hα-helixtrans-70.6-41.1177.7-175.5-107.3000113.2Y204 A205 Q215 W216 L217 W221 L222 I223Y204-F219 AromaticContact CD1-CE2 3.64Å; Y204-F219 HydrophobicContact CD1-CE2 3.64Å; Y204-F219 HydrophobicContact CD1-CZ 4.31Å; Y204-F219 HydrophobicContact CE1-CD2 4.49Å; Y204-F219 AromaticContact CE1-CE2 3.99Å; Y204-F219 HydrophobicContact CE1-CE2 3.99Å; A205-F219 HydrophobicContact CB-CD1 4.13Å; A205-F219 HydrophobicContact CB-CE1 3.17Å; A205-F219 HydrophobicContact CB-CE2 4.4Å; A205-F219 HydrophobicContact CB-CZ 3.34Å; Q215-F219 PolarHBondContact O-N 2.83Å; W216-F219 WeakPolarHBondContact O-CB 3.2Å; W216-F219 PolarHBondContact O-N 2.66Å; L217-F219 PolarHBondContact O-N 3.24Å; F219-W221 VanDerWaalsContact C-N 3.32Å; F219-W221 PolarHBondContact O-N 3.23Å; F219-L222 WeakPolarHBondContact O-CB 3.47Å; F219-L222 PolarHBondContact O-N 3.31Å; F219-I223 HydrophobicContact CD1-CD1 3.87Å; F219-I223 HydrophobicContact CD1-CG1 4.43Å; F219-I223 HydrophobicContact CE1-CD1 3.11Å; F219-I223 HydrophobicContact CE1-CG1 3.93Å; F219-I223 HydrophobicContact CE2-CD1 4.16Å; F219-I223 HydrophobicContact CE2-CG1 4.19Å; F219-I223 HydrophobicContact CZ-CD1 3.3Å; F219-I223 HydrophobicContact CZ-CG1 3.8Å; F219-I223 PolarHBondContact O-N 3.05Å
220I70.6Confident71.6Confident75 Ų75104 Ų10439%0.38549%0.488SS..Hα-helixtrans-60.9-44.7175.8-66.8168.3000110.2W216 L217 L222 I223 L224W216-I220 HydrophobicContact CD2-CD1 4.05Å; W216-I220 HydrophobicContact CE3-CD1 3.77Å; W216-I220 HydrophobicContact CH2-CD1 4.12Å; W216-I220 HydrophobicContact CZ2-CD1 4.38Å; W216-I220 HydrophobicContact CZ3-CD1 3.81Å; W216-I220 WeakPolarHBondContact O-CG1 3.27Å; W216-I220 PolarHBondContact O-N 3.4Å; W216-I220 VanDerWaalsContact O-N 3.12Å; L217-I220 PolarHBondContact O-N 2.62Å; I220-L222 VanDerWaalsContact C-N 3.3Å; I220-L222 PolarHBondContact O-N 2.94Å; I220-I223 PolarHBondContact O-N 3.13Å; I220-L224 WeakPolarHBondContact O-CB 3.41Å; I220-L224 PolarHBondContact O-N 2.7Å
221W75.8Confident72.7Confident181 Ų18197.8 Ų97.869%0.68646%0.456SS*.Hα-helixtrans-63.8-35.3175.7-73.9113.7000113L217 F219 L224 D225L217-W221 PolarHBondContact O-N 2.82Å; L217-W221 VanDerWaalsContact O-N 3.17Å; F219-W221 VanDerWaalsContact C-N 3.32Å; F219-W221 PolarHBondContact O-N 3.23Å; W221-L224 HydrophobicContact CE3-CD2 4.43Å; W221-L224 HydrophobicContact CZ3-CD2 4.27Å; W221-L224 PolarHBondContact O-N 3.49Å; W221-D225 PolarHBondContact O-N 3.4Å
222L72.8Confident74.1Confident17 Ų1790.2 Ų90.29%0.08942%0.423CS..Hα-helixtrans-67-41.9176.1-168.772.6000111.8R142 I145 S218 F219 I220 L224 D225 L228R142-L222 HydrophobicContact CG-CD1 3.76Å; I145-L222 HydrophobicContact CB-CD2 4.41Å; I145-L222 HydrophobicContact CD1-CD2 3.84Å; I145-L222 HydrophobicContact CG2-CD2 4.21Å; S218-L222 WeakPolarHBondContact O-CB 3.18Å; S218-L222 PolarHBondContact O-N 3.26Å; F219-L222 WeakPolarHBondContact O-CB 3.47Å; F219-L222 PolarHBondContact O-N 3.31Å; I220-L222 VanDerWaalsContact C-N 3.3Å; I220-L222 PolarHBondContact O-N 2.94Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L222-D225 PolarHBondContact O-N 3.31Å; L222-L228 HydrophobicContact CD1-CD2 3.43Å; L222-L228 VanDerWaalsContact CD1-CD2 3.43Å; L222-L228 HydrophobicContact CD2-CD2 4.49Å; L222-L228 HydrophobicContact CG-CD2 3.62Å
223I74.8Confident75.5Confident57 Ų5784.7 Ų84.729%0.29241%0.405SS..Hα-helixtrans-66.1-38.1174.2-71.8-177.7000110.9F219 I220 D225 I229F219-I223 HydrophobicContact CD1-CD1 3.87Å; F219-I223 HydrophobicContact CD1-CG1 4.43Å; F219-I223 HydrophobicContact CE1-CD1 3.11Å; F219-I223 HydrophobicContact CE1-CG1 3.93Å; F219-I223 HydrophobicContact CE2-CD1 4.16Å; F219-I223 HydrophobicContact CE2-CG1 4.19Å; F219-I223 HydrophobicContact CZ-CD1 3.3Å; F219-I223 HydrophobicContact CZ-CG1 3.8Å; F219-I223 PolarHBondContact O-N 3.05Å; I220-I223 PolarHBondContact O-N 3.13Å; I223-D225 PolarHBondContact O-N 2.92Å; I223-I229 HydrophobicContact CG2-CD1 4.45Å; I223-I229 WeakPolarHBondContact O-CD1 3.25Å
224L78.2Confident77.1Confident118 Ų11877.4 Ų77.462%0.61837%0.372SS*.Hα-helixtrans-72.4-9.7-178.9-153.474.5000113.2I220 W221 L222 I226I220-L224 WeakPolarHBondContact O-CB 3.41Å; I220-L224 PolarHBondContact O-N 2.7Å; W221-L224 HydrophobicContact CE3-CD2 4.43Å; W221-L224 HydrophobicContact CZ3-CD2 4.27Å; W221-L224 PolarHBondContact O-N 3.49Å; L222-L224 VanDerWaalsContact C-N 3.34Å; L224-I226 PolarHBondContact O-N 3.35Å
225D82.4Confident78.9Confident30 Ų3072.6 Ų72.616%0.1634%0.341CS..  trans-7191.9172.7-170.5-12000110.1Y127 R142 W221 L222 I223 R227 L228 I229Y127-D225 PolarHBondContact OH-OD2 3.44Å; R142-D225 IonicContact CZ-OD2 2.8Å; R142-D225 IonicContact NH1-OD2 2.98Å; R142-D225 PolarHBondContact NH1-OD2 2.88Å; R142-D225 IonicContact NH2-OD2 3.72Å; W221-D225 PolarHBondContact O-N 3.4Å; L222-D225 PolarHBondContact O-N 3.31Å; I223-D225 PolarHBondContact O-N 2.92Å; D225-R227 PolarHBondContact O-N 3.49Å; D225-R227 VanDerWaalsContact O-N 3.15Å; D225-R227 WeakPolarHBondContact OD1-CB 3.31Å; D225-R227 PolarHBondContact OD1-N 3.49Å; D225-R227 VanDerWaalsContact OD1-N 3.13Å; D225-L228 HydrophobicContact CB-CB 3.9Å; D225-L228 WeakPolarHBondContact O-CA 3.5Å; D225-L228 WeakPolarHBondContact O-CB 3.17Å; D225-L228 PolarHBondContact O-N 3.05Å; D225-L228 PolarHBondContact OD1-N 3.39Å; D225-I229 PolarHBondContact O-N 2.99Å
226I83.9Confident80.4Confident135 Ų13566.7 Ų66.769%0.69231%0.314SS*.Hα-helixtrans-52.9-36.6179-60.9172.7000111.3L224 L228 I229 L230L224-I226 PolarHBondContact O-N 3.35Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.35Å; I226-I229 PolarHBondContact O-N 3.38Å; I226-L230 WeakPolarHBondContact O-CB 3.27Å; I226-L230 PolarHBondContact O-N 3.33Å
227R85.3Confident81.8Confident192 Ų19260.4 Ų60.473%0.72529%0.291SS*.Hα-helixtrans-67.1-38.2179.3-66.3-177.4172.8-177.4-2.4111.2D225 L231D225-R227 PolarHBondContact O-N 3.49Å; D225-R227 VanDerWaalsContact O-N 3.15Å; D225-R227 WeakPolarHBondContact OD1-CB 3.31Å; D225-R227 PolarHBondContact OD1-N 3.49Å; D225-R227 VanDerWaalsContact OD1-N 3.13Å; R227-L231 WeakPolarHBondContact O-CB 3.39Å; R227-L231 PolarHBondContact O-N 3.04Å
228L85.9Confident83.4Confident1 Ų154.4 Ų54.41%0.00526%0.259CS..Hα-helixtrans-67.4-45.2176-178.763.8000111.4Y127 R142 I145 L222 D225 I226 L230 L231 I232Y127-L228 HydrophobicContact CD1-CD1 4.07Å; Y127-L228 HydrophobicContact CE1-CB 4.24Å; Y127-L228 HydrophobicContact CE1-CD1 4.09Å; R142-L228 HydrophobicContact CB-CD1 4.44Å; I145-L228 HydrophobicContact CG2-CD1 4.18Å; I145-L228 HydrophobicContact CG2-CD2 3.98Å; I145-L228 HydrophobicContact CG2-CG 4.5Å; L222-L228 HydrophobicContact CD1-CD2 3.43Å; L222-L228 VanDerWaalsContact CD1-CD2 3.43Å; L222-L228 HydrophobicContact CD2-CD2 4.49Å; L222-L228 HydrophobicContact CG-CD2 3.62Å; D225-L228 HydrophobicContact CB-CB 3.9Å; D225-L228 WeakPolarHBondContact O-CA 3.5Å; D225-L228 WeakPolarHBondContact O-CB 3.17Å; D225-L228 PolarHBondContact O-N 3.05Å; D225-L228 PolarHBondContact OD1-N 3.39Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.35Å; L228-L230 VanDerWaalsContact C-N 3.31Å; L228-L230 PolarHBondContact O-N 2.88Å; L228-L231 PolarHBondContact O-N 3.05Å; L228-I232 HydrophobicContact CD1-CD1 4.34Å; L228-I232 HydrophobicContact CD1-CG1 4.46Å; L228-I232 HydrophobicContact CG-CD1 4.03Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.5Å; L228-I232 PolarHBondContact O-N 3.13Å
229I86.5Confident84.5Confident64 Ų6452.4 Ų52.433%0.32825%0.245SC..Hα-helixtrans-58.8-45.6175.4-69.2-179.2000110.5I223 D225 I226 L231 I232 L233I223-I229 HydrophobicContact CG2-CD1 4.45Å; I223-I229 WeakPolarHBondContact O-CD1 3.25Å; D225-I229 PolarHBondContact O-N 2.99Å; I226-I229 PolarHBondContact O-N 3.38Å; I229-L231 VanDerWaalsContact C-N 3.34Å; I229-L231 PolarHBondContact O-N 3.03Å; I229-I232 PolarHBondContact O-N 3.06Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 2.97Å
230L87.5Confident85.5Confident94 Ų9451.4 Ų51.449%0.49224%0.241SC..Hα-helixtrans-61.7-42.8178-176.365.8000111.2I226 L228 L233 I234I226-L230 WeakPolarHBondContact O-CB 3.27Å; I226-L230 PolarHBondContact O-N 3.33Å; L228-L230 VanDerWaalsContact C-N 3.31Å; L228-L230 PolarHBondContact O-N 2.88Å; L230-L233 PolarHBondContact O-N 2.58Å; L230-I234 HydrophobicContact CD1-CD1 4.13Å; L230-I234 HydrophobicContact CD1-CG1 4.41Å; L230-I234 HydrophobicContact CD2-CD1 4.45Å; L230-I234 HydrophobicContact CG-CD1 3.84Å; L230-I234 HydrophobicContact CG-CG1 4.48Å; L230-I234 VanDerWaalsContact O-CG1 3.27Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 3.18Å
231L88.9Confident86.5Confident8 Ų848.1 Ų48.14%0.04222%0.224CC..Hα-helixtrans-65-40.7177.1-172.264.8000111.9L122 A123 Y127 L146 R227 L228 I229 L233 I234 T235L122-L231 HydrophobicContact CB-CD1 4.1Å; L122-L231 HydrophobicContact CD1-CD1 4.12Å; A123-L231 HydrophobicContact CB-CD2 4.38Å; Y127-L231 HydrophobicContact CD1-CD2 4.26Å; Y127-L231 HydrophobicContact CG-CD2 4.04Å; L146-L231 HydrophobicContact CD1-CG 4.42Å; L146-L231 HydrophobicContact CD2-CD2 3.73Å; L146-L231 HydrophobicContact CD2-CG 4.14Å; R227-L231 WeakPolarHBondContact O-CB 3.39Å; R227-L231 PolarHBondContact O-N 3.04Å; L228-L231 PolarHBondContact O-N 3.05Å; I229-L231 VanDerWaalsContact C-N 3.34Å; I229-L231 PolarHBondContact O-N 3.03Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-I234 PolarHBondContact O-N 2.63Å; L231-T235 HydrophobicContact CD1-CG2 4.16Å; L231-T235 HydrophobicContact CG-CG2 4.27Å; L231-T235 WeakPolarHBondContact O-CB 3.5Å; L231-T235 WeakPolarHBondContact O-CG2 3.21Å; L231-T235 PolarHBondContact O-N 3.15Å; L231-T235 PolarHBondContact O-OG1 3.48Å
232I90.3Very high87.2Confident2 Ų239.5 Ų39.51%0.0119%0.191CC..Hα-helixtrans-59.8-46.3172.5-70.3167.2000109.7I145 L146 C149 V197 L228 I229 T235 T236I145-I232 HydrophobicContact CD1-CD1 4.48Å; I145-I232 HydrophobicContact CG1-CD1 4.44Å; L146-I232 HydrophobicContact CD1-CB 4.37Å; L146-I232 HydrophobicContact CD1-CG1 3.68Å; C149-I232 HydrophobicContact CB-CG2 4.49Å; V197-I232 HydrophobicContact CG1-CG2 3.86Å; V197-I232 HydrophobicContact CG2-CG2 4.16Å; L228-I232 HydrophobicContact CD1-CD1 4.34Å; L228-I232 HydrophobicContact CD1-CG1 4.46Å; L228-I232 HydrophobicContact CG-CD1 4.03Å; L228-I232 VanDerWaalsContact O-CG1 3.29Å; L228-I232 WeakPolarHBondContact O-CG1 3.5Å; L228-I232 PolarHBondContact O-N 3.13Å; I229-I232 PolarHBondContact O-N 3.06Å; I232-T235 PolarHBondContact O-OG1 3.39Å; I232-T235 VanDerWaalsContact O-OG1 3.06Å; I232-T236 HydrophobicContact CG2-CG2 4.28Å; I232-T236 VanDerWaalsContact O-CB 3.28Å; I232-T236 WeakPolarHBondContact O-CB 3.23Å; I232-T236 WeakPolarHBondContact O-CG2 3.22Å; I232-T236 PolarHBondContact O-N 3.48Å; I232-T236 PolarHBondContact O-OG1 2.91Å
233L91.1Very high88.2Confident47 Ų4738.8 Ų38.825%0.24619%0.187CC..Hα-helixtrans-62.8-46.2179.8-175.566000112T193 V194 I229 L230 L231 T236 F237T193-L233 HydrophobicContact CG2-CD1 4.14Å; V194-L233 HydrophobicContact CG2-CD1 3.8Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 PolarHBondContact O-N 2.97Å; L230-L233 PolarHBondContact O-N 2.58Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L233-T236 PolarHBondContact O-OG1 3.37Å; L233-F237 WeakPolarHBondContact O-CB 3.42Å; L233-F237 PolarHBondContact O-N 3.21Å
234I90.7Very high88.8Confident29 Ų2936.1 Ų36.115%0.14917%0.174CC..Hα-helixtrans-66.1-48.9-179.3-66.5167.7000111M29 L122 L230 L231 T236 F237 H238M29-I234 HydrophobicContact CE-CG2 4.32Å; M29-I234 HydrophobicContact CG-CG2 4.27Å; M29-I234 HydrophobicContact SD-CG2 3.7Å; L122-I234 HydrophobicContact CD1-CG2 3.62Å; L230-I234 HydrophobicContact CD1-CD1 4.13Å; L230-I234 HydrophobicContact CD1-CG1 4.41Å; L230-I234 HydrophobicContact CD2-CD1 4.45Å; L230-I234 HydrophobicContact CG-CD1 3.84Å; L230-I234 HydrophobicContact CG-CG1 4.48Å; L230-I234 VanDerWaalsContact O-CG1 3.27Å; L230-I234 WeakPolarHBondContact O-CG1 3.35Å; L230-I234 PolarHBondContact O-N 3.18Å; L231-I234 PolarHBondContact O-N 2.63Å; I234-T236 PolarHBondContact O-N 3.45Å; I234-F237 PolarHBondContact O-N 2.9Å; I234-H238 PolarHBondContact O-N 2.89Å
235T91.1Very high89.3Confident2 Ų230.6 Ų30.61%0.01215%0.145CC..Hα-helixtrans-62.7-42.8-179.153.10000111.8V118 L146 L231 I232 H238 L239V118-T235 HydrophobicContact CB-CG2 4.14Å; V118-T235 HydrophobicContact CG1-CG2 3.73Å; L146-T235 HydrophobicContact CD1-CG2 4.19Å; L146-T235 WeakPolarHBondContact CD1-OG1 3.23Å; L231-T235 HydrophobicContact CD1-CG2 4.16Å; L231-T235 HydrophobicContact CG-CG2 4.27Å; L231-T235 WeakPolarHBondContact O-CB 3.5Å; L231-T235 WeakPolarHBondContact O-CG2 3.21Å; L231-T235 PolarHBondContact O-N 3.15Å; L231-T235 PolarHBondContact O-OG1 3.48Å; I232-T235 PolarHBondContact O-OG1 3.39Å; I232-T235 VanDerWaalsContact O-OG1 3.06Å; T235-H238 PolarHBondContact O-N 2.89Å; T235-L239 PolarHBondContact O-N 3.45Å; T235-L239 VanDerWaalsContact O-N 3.07Å
236T91.9Very high89.6Confident1 Ų129.2 Ų29.21%0.00614%0.138CC..Hα-helixtrans-71.2-35.917857.30000112.2C149 M153 T193 V197 I232 L233 I234 L239 Q240C149-T236 VanDerWaalsContact SG-CG2 3.53Å; M153-T236 HydrophobicContact CE-CG2 4.38Å; M153-T236 HydrophobicContact CG-CG2 3.73Å; T193-T236 WeakPolarHBondContact CG2-OG1 3.46Å; V197-T236 HydrophobicContact CG2-CG2 4.3Å; V197-T236 WeakPolarHBondContact CG2-OG1 3.46Å; I232-T236 HydrophobicContact CG2-CG2 4.28Å; I232-T236 VanDerWaalsContact O-CB 3.28Å; I232-T236 WeakPolarHBondContact O-CB 3.23Å; I232-T236 WeakPolarHBondContact O-CG2 3.22Å; I232-T236 PolarHBondContact O-N 3.48Å; I232-T236 PolarHBondContact O-OG1 2.91Å; L233-T236 PolarHBondContact O-OG1 3.37Å; I234-T236 PolarHBondContact O-N 3.45Å; T236-L239 PolarHBondContact O-N 3.26Å; T236-Q240 WeakPolarHBondContact O-CB 3.47Å; T236-Q240 VanDerWaalsContact O-CG 3.23Å; T236-Q240 WeakPolarHBondContact O-CG 3.46Å; T236-Q240 PolarHBondContact O-N 3Å
237F92.4Very high89.7Confident26 Ų2623 Ų2311%0.11411%0.106CC..Hα-helixtrans-63.3-47.1173.3172-108.2000110.9L25 M29 M186 R189 L190 T193 L233 I234 L239 Q240 F241L25-F237 HydrophobicContact CD1-CE1 4.42Å; M29-F237 HydrophobicContact CE-CD1 3.36Å; M29-F237 HydrophobicContact CE-CE1 3.68Å; M186-F237 HydrophobicContact CG-CZ 4.11Å; R189-F237 HydrophobicContact CB-CE2 4.48Å; L190-F237 HydrophobicContact CB-CD2 4.27Å; L190-F237 HydrophobicContact CB-CE2 3.99Å; L190-F237 HydrophobicContact CD1-CD2 4.05Å; L190-F237 HydrophobicContact CD1-CE2 4.29Å; L190-F237 HydrophobicContact CD1-CG 4.45Å; T193-F237 HydrophobicContact CG2-CB 4.04Å; L233-F237 WeakPolarHBondContact O-CB 3.42Å; L233-F237 PolarHBondContact O-N 3.21Å; I234-F237 PolarHBondContact O-N 2.9Å; F237-L239 VanDerWaalsContact C-N 3.31Å; F237-L239 PolarHBondContact O-N 3.5Å; F237-Q240 PolarHBondContact O-N 3.29Å; F237-F241 HydrophobicContact CE2-CB 4.33Å; F237-F241 HydrophobicContact CE2-CD2 4.35Å; F237-F241 HydrophobicContact CZ-CB 4.35Å; F237-F241 HydrophobicContact CZ-CD2 4.11Å; F237-F241 HydrophobicContact CZ-CG 4.41Å; F237-F241 WeakPolarHBondContact O-CB 3.42Å; F237-F241 PolarHBondContact O-N 3.39Å
238H92.8Very high89.7Confident0 Ų015.6 Ų15.60%08%0.081CC..Hα-helixtrans-55-46.8175.1175.9-96.2000111.7S22 M29 V118 I234 T235 S242S22-H238 PolarHBondContact O-NE2 3.26Å; S22-H238 PolarHBondContact OG-CE1 2.93Å; S22-H238 PolarHBondContact OG-NE2 3.49Å; S22-H238 VanDerWaalsContact OG-NE2 3.08Å; M29-H238 HydrophobicContact CE-CB 3.87Å; M29-H238 HydrophobicContact SD-CB 3.85Å; V118-H238 WeakPolarHBondContact CG2-ND1 3.4Å; I234-H238 PolarHBondContact O-N 2.89Å; T235-H238 PolarHBondContact O-N 2.89Å; H238-S242 PolarHBondContact NE2-OG 3.41Å; H238-S242 WeakPolarHBondContact O-CB 3.37Å; H238-S242 PolarHBondContact O-N 2.88Å; H238-S242 PolarHBondContact O-OG 2.85Å
239L92.4Very high89.7Confident1 Ų115.7 Ų15.71%0.0058%0.081CC..Hα-helixtrans-61.8-51.6178.8-176.7152.8000111.5N114 M153 T235 T236 F237 F241 W243N114-L239 HydrophobicContact CB-CD1 4.33Å; M153-L239 HydrophobicContact CB-CD2 4.23Å; T235-L239 PolarHBondContact O-N 3.45Å; T235-L239 VanDerWaalsContact O-N 3.07Å; T236-L239 PolarHBondContact O-N 3.26Å; F237-L239 VanDerWaalsContact C-N 3.31Å; F237-L239 PolarHBondContact O-N 3.5Å; L239-F241 PolarHBondContact O-N 3.21Å; L239-W243 HydrophobicContact CD1-CZ2 4.5Å; L239-W243 HydrophobicContact CD2-CD2 4.17Å; L239-W243 HydrophobicContact CD2-CE3 4.15Å; L239-W243 HydrophobicContact CD2-CZ3 4.44Å; L239-W243 HydrophobicContact CG-CD2 4.3Å; L239-W243 HydrophobicContact CG-CZ2 4.4Å; L239-W243 VanDerWaalsContact O-CB 3.3Å; L239-W243 WeakPolarHBondContact O-CB 3.3Å; L239-W243 VanDerWaalsContact O-CG 3.26Å; L239-W243 PolarHBondContact O-N 3.25Å
240Q90.7Very high89.7Confident0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-64.8-41.6-177.9-70-66.7-34.800112.3M153 R196 T236 F237 S244M153-Q240 HydrophobicContact CE-CG 3.58Å; M153-Q240 PolarHBondContact O-NE2 2.84Å; M153-Q240 VanDerWaalsContact O-NE2 3.15Å; R196-Q240 VanDerWaalsContact NH1-CD 3.29Å; T236-Q240 WeakPolarHBondContact O-CB 3.47Å; T236-Q240 VanDerWaalsContact O-CG 3.23Å; T236-Q240 WeakPolarHBondContact O-CG 3.46Å; T236-Q240 PolarHBondContact O-N 3Å; F237-Q240 PolarHBondContact O-N 3.29Å; Q240-S244 VanDerWaalsContact O-CB 3.26Å; Q240-S244 WeakPolarHBondContact O-CB 3.44Å; Q240-S244 PolarHBondContact O-N 3.47Å; Q240-S244 VanDerWaalsContact O-N 3.1Å; Q240-S244 PolarHBondContact O-OG 2.89Å
241F91.2Very high89.5Confident5 Ų59.3 Ų9.32%0.0225%0.047CC..Hα-helixtrans-67.3-54.5178.6-178-86.3000110.9I21 L25 T182 H185 M186 F237 L239 W243 S244 C245I21-F241 HydrophobicContact CG2-CE1 3.99Å; L25-F241 HydrophobicContact CD2-CB 4.11Å; L25-F241 HydrophobicContact CD2-CD1 3.33Å; L25-F241 HydrophobicContact CD2-CE1 3.89Å; L25-F241 HydrophobicContact CD2-CG 3.9Å; L25-F241 HydrophobicContact CG-CD1 4.5Å; T182-F241 HydrophobicContact CG2-CZ 3.75Å; H185-F241 HydrophobicContact CB-CE2 4.35Å; M186-F241 HydrophobicContact CB-CE2 4.09Å; M186-F241 HydrophobicContact CG-CE2 4.04Å; F237-F241 HydrophobicContact CE2-CB 4.33Å; F237-F241 HydrophobicContact CE2-CD2 4.35Å; F237-F241 HydrophobicContact CZ-CB 4.35Å; F237-F241 HydrophobicContact CZ-CD2 4.11Å; F237-F241 HydrophobicContact CZ-CG 4.41Å; F237-F241 WeakPolarHBondContact O-CB 3.42Å; F237-F241 PolarHBondContact O-N 3.39Å; L239-F241 PolarHBondContact O-N 3.21Å; F241-W243 VanDerWaalsContact C-N 3.32Å; F241-W243 PolarHBondContact O-N 3.4Å; F241-S244 PolarHBondContact O-N 3.41Å; F241-S244 VanDerWaalsContact O-N 3.13Å; F241-C245 VanDerWaalsContact CE1-SG 3.53Å; F241-C245 PolarHBondContact O-N 3.44Å; F241-C245 PolarHBondContact O-SG 3.44Å
242S91.3Very high89.2Confident1 Ų19.3 Ų9.31%0.0075%0.048CC..Hα-helixtrans-60.5-41.7-176.2-58.50000111.8S22 H238 A246S22-S242 PolarHBondContact OG-OG 3.29Å; H238-S242 PolarHBondContact NE2-OG 3.41Å; H238-S242 WeakPolarHBondContact O-CB 3.37Å; H238-S242 PolarHBondContact O-N 2.88Å; H238-S242 PolarHBondContact O-OG 2.85Å; S242-A246 WeakPolarHBondContact O-CB 3.47Å; S242-A246 PolarHBondContact O-N 3.39Å
243W92.2Very high88.8Confident1 Ų19.6 Ų9.60%0.0045%0.049CC..Hα-helixtrans-72.5-33.3178.5-6914.6000112.8T70 F74 S107 L110 F157 L239 F241 A246 I247T70-W243 HydrophobicContact CG2-CD2 3.84Å; T70-W243 HydrophobicContact CG2-CE3 4.32Å; T70-W243 HydrophobicContact CG2-CG 4.05Å; T70-W243 HydrophobicContact CG2-CZ2 4.21Å; F74-W243 HydrophobicContact CZ-CE3 4.34Å; S107-W243 WeakPolarHBondContact O-CH2 3.49Å; L110-W243 HydrophobicContact CB-CH2 4.36Å; L110-W243 HydrophobicContact CB-CZ2 4.2Å; F157-W243 HydrophobicContact CB-CE3 4.24Å; F157-W243 HydrophobicContact CD1-CB 4.24Å; F157-W243 HydrophobicContact CD1-CD2 4.47Å; F157-W243 AromaticContact CD1-CE3 3.5Å; F157-W243 HydrophobicContact CD1-CE3 3.5Å; F157-W243 HydrophobicContact CD1-CZ3 4.24Å; F157-W243 HydrophobicContact CE1-CB 3.65Å; F157-W243 AromaticContact CE1-CE3 3.99Å; F157-W243 HydrophobicContact CE1-CE3 3.99Å; F157-W243 HydrophobicContact CE2-CB 4.26Å; F157-W243 HydrophobicContact CG-CE3 4Å; F157-W243 HydrophobicContact CZ-CB 3.66Å; L239-W243 HydrophobicContact CD1-CZ2 4.5Å; L239-W243 HydrophobicContact CD2-CD2 4.17Å; L239-W243 HydrophobicContact CD2-CE3 4.15Å; L239-W243 HydrophobicContact CD2-CZ3 4.44Å; L239-W243 HydrophobicContact CG-CD2 4.3Å; L239-W243 HydrophobicContact CG-CZ2 4.4Å; L239-W243 VanDerWaalsContact O-CB 3.3Å; L239-W243 WeakPolarHBondContact O-CB 3.3Å; L239-W243 VanDerWaalsContact O-CG 3.26Å; L239-W243 PolarHBondContact O-N 3.25Å; F241-W243 VanDerWaalsContact C-N 3.32Å; F241-W243 PolarHBondContact O-N 3.4Å; W243-A246 PolarHBondContact O-N 3.08Å; W243-I247 WeakPolarHBondContact O-CG1 3.4Å; W243-I247 PolarHBondContact O-N 3.13Å
244S88.6Confident88.2Confident1 Ų17.4 Ų7.41%0.0074%0.038CC..Hα-helixtrans-65.6-52.6173.2-60.70000110.5F157 R189 Q240 F241 A246 I247 D248F157-S244 WeakPolarHBondContact CE2-OG 3.26Å; R189-S244 PolarHBondContact NE-OG 2.75Å; R189-S244 VanDerWaalsContact NE-OG 3.15Å; R189-S244 PolarHBondContact NH2-OG 3.24Å; R189-S244 VanDerWaalsContact NH2-OG 3.09Å; Q240-S244 VanDerWaalsContact O-CB 3.26Å; Q240-S244 WeakPolarHBondContact O-CB 3.44Å; Q240-S244 PolarHBondContact O-N 3.47Å; Q240-S244 VanDerWaalsContact O-N 3.1Å; Q240-S244 PolarHBondContact O-OG 2.89Å; F241-S244 PolarHBondContact O-N 3.41Å; F241-S244 VanDerWaalsContact O-N 3.13Å; S244-A246 PolarHBondContact O-N 2.73Å; S244-I247 PolarHBondContact O-N 2.82Å; S244-D248 PolarHBondContact O-N 2.8Å
245C87.6Confident87.5Confident2 Ų27.3 Ų7.31%0.0144%0.036CC..Hα-helixtrans-55.4-38.3175.9-69.80000111.7I21 F241 I247 D248 V249I21-C245 HydrophobicContact CG2-CB 4.33Å; F241-C245 VanDerWaalsContact CE1-SG 3.53Å; F241-C245 PolarHBondContact O-N 3.44Å; F241-C245 PolarHBondContact O-SG 3.44Å; C245-I247 PolarHBondContact O-N 2.58Å; C245-D248 PolarHBondContact O-N 2.89Å; C245-V249 VanDerWaalsContact O-CB 3.23Å; C245-V249 WeakPolarHBondContact O-CB 3.48Å; C245-V249 WeakPolarHBondContact O-CG2 3.09Å; C245-V249 PolarHBondContact O-N 2.98Å
246A89Confident86.6Confident1 Ų110.7 Ų10.71%0.0085%0.051CC..Hα-helixtrans-61.2-42.8176.200000113.2S18 S242 W243 S244 L250S18-A246 WeakPolarHBondContact OG-CA 3.19Å; S242-A246 WeakPolarHBondContact O-CB 3.47Å; S242-A246 PolarHBondContact O-N 3.39Å; W243-A246 PolarHBondContact O-N 3.08Å; S244-A246 PolarHBondContact O-N 2.73Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 PolarHBondContact O-N 2.96Å
247I87.2Confident85.4Confident5 Ų513.6 Ų13.63%0.0267%0.07CC..Hα-helixtrans-65.9-45.7175.7-68.3176000110.8F74 F157 V161 K166 L167 W243 S244 C245 L250 K251F74-I247 HydrophobicContact CB-CG1 4.46Å; F74-I247 HydrophobicContact CD2-CD1 4.01Å; F74-I247 HydrophobicContact CD2-CG1 3.67Å; F74-I247 HydrophobicContact CE2-CD1 4Å; F74-I247 HydrophobicContact CE2-CG1 4.07Å; F74-I247 HydrophobicContact CG-CD1 4.3Å; F74-I247 HydrophobicContact CG-CG1 4.09Å; F74-I247 HydrophobicContact CZ-CD1 4.32Å; F157-I247 HydrophobicContact CE1-CD1 3.64Å; F157-I247 HydrophobicContact CZ-CD1 3.72Å; V161-I247 HydrophobicContact CB-CD1 4.4Å; V161-I247 HydrophobicContact CG1-CD1 3.84Å; V161-I247 HydrophobicContact CG2-CD1 3.56Å; K166-I247 WeakPolarHBondContact O-CG2 3.3Å; L167-I247 HydrophobicContact CD2-CD1 4.21Å; L167-I247 HydrophobicContact CD2-CG1 4.22Å; L167-I247 HydrophobicContact CD2-CG2 4.24Å; W243-I247 WeakPolarHBondContact O-CG1 3.4Å; W243-I247 PolarHBondContact O-N 3.13Å; S244-I247 PolarHBondContact O-N 2.82Å; C245-I247 PolarHBondContact O-N 2.58Å; I247-L250 WeakPolarHBondContact O-CB 3.39Å; I247-L250 PolarHBondContact O-N 3.35Å; I247-K251 WeakPolarHBondContact O-CG 3.36Å; I247-K251 PolarHBondContact O-N 3.13Å
248D84.1Confident84.2Confident37 Ų3712.8 Ų12.820%0.1987%0.066CC..Hα-helixtrans-73.1-36.1-174.2-63.2-49.4000112I181 H185 S244 C245 K251 S252I181-D248 HydrophobicContact CG2-CB 3.82Å; H185-D248 IonicContact CD2-OD2 4Å; H185-D248 IonicContact CE1-OD2 2.55Å; H185-D248 PolarHBondContact CE1-OD2 2.8Å; H185-D248 IonicContact NE2-OD2 3.12Å; H185-D248 PolarHBondContact NE2-OD2 3.46Å; S244-D248 PolarHBondContact O-N 2.8Å; C245-D248 PolarHBondContact O-N 2.89Å; D248-K251 PolarHBondContact O-N 3.15Å; D248-S252 VanDerWaalsContact O-CB 3.23Å; D248-S252 WeakPolarHBondContact O-CB 3.37Å; D248-S252 PolarHBondContact O-N 3.49Å
249V86.7Confident82.7Confident2 Ų220.8 Ų20.81%0.01210%0.104CC..Hα-helixtrans-63.4-44.1169.6169.50000110.8L17 I21 C245 S252 Q253L17-V249 HydrophobicContact CB-CG1 3.76Å; L17-V249 HydrophobicContact CD1-CG1 3.97Å; I21-V249 HydrophobicContact CD1-CG2 3.9Å; C245-V249 VanDerWaalsContact O-CB 3.23Å; C245-V249 WeakPolarHBondContact O-CB 3.48Å; C245-V249 WeakPolarHBondContact O-CG2 3.09Å; C245-V249 PolarHBondContact O-N 2.98Å; V249-S252 PolarHBondContact O-N 3.08Å; V249-Q253 WeakPolarHBondContact O-CG 3.43Å; V249-Q253 PolarHBondContact O-N 2.82Å
250L86.6Confident81.2Confident0 Ų021.8 Ų21.80%011%0.109CC..Hα-helixtrans-58.5-51.8175.5178.770.8000110.6S14 F74 R75 L78 A246 I247 S252 Q253 F254S14-L250 WeakPolarHBondContact OG-CD1 3.41Å; F74-L250 HydrophobicContact CB-CD2 4.45Å; R75-L250 HydrophobicContact CB-CD1 4.27Å; R75-L250 HydrophobicContact CB-CD2 4.14Å; L78-L250 HydrophobicContact CD1-CD2 4.39Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 PolarHBondContact O-N 2.96Å; I247-L250 WeakPolarHBondContact O-CB 3.39Å; I247-L250 PolarHBondContact O-N 3.35Å; L250-S252 PolarHBondContact O-N 3.01Å; L250-Q253 PolarHBondContact O-N 3.49Å; L250-F254 HydrophobicContact CD1-CD2 3.85Å; L250-F254 HydrophobicContact CD1-CE2 3.52Å; L250-F254 HydrophobicContact CG-CD2 4.33Å; L250-F254 HydrophobicContact CG-CE2 4.43Å; L250-F254 WeakPolarHBondContact O-CD2 2.87Å; L250-F254 PolarHBondContact O-N 3.21Å; L250-F254 VanDerWaalsContact O-N 3.14Å
251K83.9Confident79.5Confident24 Ų2426 Ų2610%0.10414%0.137CC..Hα-helixtrans-56.3-49.6176.1-74.3-170.1-178.9-163.90112.2L78 K166 T168 L169 I247 D248 Q253 F254 Q255L78-K251 HydrophobicContact CD1-CG 4.4Å; K166-K251 WeakPolarHBondContact O-CE 3.37Å; K166-K251 PolarHBondContact O-NZ 3.46Å; T168-K251 VanDerWaalsContact O-CE 3.23Å; T168-K251 WeakPolarHBondContact O-CE 3.41Å; T168-K251 PolarHBondContact O-NZ 2.97Å; L169-K251 HydrophobicContact CD2-CB 4.36Å; L169-K251 HydrophobicContact CD2-CG 4.25Å; I247-K251 WeakPolarHBondContact O-CG 3.36Å; I247-K251 PolarHBondContact O-N 3.13Å; D248-K251 PolarHBondContact O-N 3.15Å; K251-Q253 VanDerWaalsContact C-N 3.27Å; K251-Q253 PolarHBondContact O-N 3.02Å; K251-F254 PolarHBondContact O-N 3.48Å; K251-F254 VanDerWaalsContact O-N 3.08Å; K251-Q255 WeakPolarHBondContact O-CB 3.25Å; K251-Q255 VanDerWaalsContact O-CG 3.27Å; K251-Q255 WeakPolarHBondContact O-CG 3.5Å; K251-Q255 PolarHBondContact O-N 3.21Å
252S81.7Confident77.7Confident8 Ų827 Ų276%0.05614%0.142CC..Hα-helixtrans-55.7-41.1179.4175.80000111.8D248 V249 L250 K256D248-S252 VanDerWaalsContact O-CB 3.23Å; D248-S252 WeakPolarHBondContact O-CB 3.37Å; D248-S252 PolarHBondContact O-N 3.49Å; V249-S252 PolarHBondContact O-N 3.08Å; L250-S252 PolarHBondContact O-N 3.01Å; S252-K256 WeakPolarHBondContact O-CG 3.23Å; S252-K256 PolarHBondContact O-N 2.94Å
253Q82.6Confident75.8Confident8 Ų831.4 Ų31.44%0.03717%0.173CC..Hα-helixtrans-69.1-37.8177.2-64.8-35.4-67.900113.1R10 Y13 V249 L250 K251R10-Q253 HydrophobicContact CB-CB 4.33Å; R10-Q253 WeakPolarHBondContact CD-O 3.36Å; R10-Q253 PolarHBondContact NH1-O 3.22Å; Y13-Q253 HydrophobicContact CD1-CG 4.1Å; V249-Q253 WeakPolarHBondContact O-CG 3.43Å; V249-Q253 PolarHBondContact O-N 2.82Å; L250-Q253 PolarHBondContact O-N 3.49Å; K251-Q253 VanDerWaalsContact C-N 3.27Å; K251-Q253 PolarHBondContact O-N 3.02Å
254F77.6Confident73.8Confident2 Ų234.3 Ų34.31%0.00919%0.193CC..Hα-helixtrans-76.2-24.2179.3-82.2-97.1000113L7 R10 L78 L169 L250 K251 L283 L287L7-F254 HydrophobicContact CB-CE1 4.44Å; L7-F254 HydrophobicContact CD2-CD1 4.04Å; L7-F254 HydrophobicContact CD2-CE1 3.73Å; R10-F254 HydrophobicContact CB-CE2 4.47Å; L78-F254 HydrophobicContact CD2-CB 4.07Å; L78-F254 HydrophobicContact CD2-CD1 3.91Å; L78-F254 HydrophobicContact CD2-CD2 3.9Å; L78-F254 HydrophobicContact CD2-CE1 4.32Å; L78-F254 HydrophobicContact CD2-CE2 4.33Å; L78-F254 HydrophobicContact CD2-CG 3.67Å; L169-F254 HydrophobicContact CD1-CB 4.28Å; L169-F254 HydrophobicContact CD2-CB 3.97Å; L250-F254 HydrophobicContact CD1-CD2 3.85Å; L250-F254 HydrophobicContact CD1-CE2 3.52Å; L250-F254 HydrophobicContact CG-CD2 4.33Å; L250-F254 HydrophobicContact CG-CE2 4.43Å; L250-F254 WeakPolarHBondContact O-CD2 2.87Å; L250-F254 PolarHBondContact O-N 3.21Å; L250-F254 VanDerWaalsContact O-N 3.14Å; K251-F254 PolarHBondContact O-N 3.48Å; K251-F254 VanDerWaalsContact O-N 3.08Å; F254-L283 HydrophobicContact CD1-CD2 4.08Å; F254-L283 HydrophobicContact CE1-CD2 3.9Å; F254-L287 HydrophobicContact CD1-CD1 4.33Å
255Q75.2Confident72Confident26 Ų2636 Ų3612%0.12120%0.204CC..Hα-helixtrans-83.8-9.9175.4-70.5173.6-26.200114.3L169 N170 K251L169-Q255 HydrophobicContact CD2-CG 4.02Å; N170-Q255 VanDerWaalsContact C-NE2 3.25Å; N170-Q255 VanDerWaalsContact N-NE2 3.1Å; N170-Q255 PolarHBondContact O-NE2 3.48Å; K251-Q255 WeakPolarHBondContact O-CB 3.25Å; K251-Q255 VanDerWaalsContact O-CG 3.27Å; K251-Q255 WeakPolarHBondContact O-CG 3.5Å; K251-Q255 PolarHBondContact O-N 3.21Å
256K72.8Confident70.4Confident73 Ų7337.6 Ų37.632%0.31721%0.212SC..SBendtrans-64.9138.3175.2-81.2172.6-179.2-176.80110.1R10 I175 S252 I258R10-K256 PolarHBondContact NH1-O 2.99Å; R10-K256 PolarHBondContact NH2-O 3.35Å; R10-K256 VanDerWaalsContact NH2-O 3.17Å; I175-K256 HydrophobicContact CD1-CG 4.21Å; I175-K256 HydrophobicContact CG2-CG 4.34Å; S252-K256 WeakPolarHBondContact O-CG 3.23Å; S252-K256 PolarHBondContact O-N 2.94Å; K256-I258 PolarHBondContact O-N 2.8Å
257P66.6Low68.5Low62 Ų6241.6 Ų41.640%0.40323%0.233SC..PPolyproline II helixtrans-56.3139.8176.124.3-33.3000110.1R10R10-P257 PolarHBondContact NH2-O 2.79Å
258I67.4Low66.5Low9 Ų945.2 Ų45.25%0.04626%0.257CS..PPolyproline II helixtrans-84117.6179.2-64.9167.9000107.9L3 K256 I260 L287 R291L3-I258 HydrophobicContact CD1-CD1 3.81Å; K256-I258 PolarHBondContact O-N 2.8Å; I258-I260 VanDerWaalsContact C-N 3.33Å; I258-I260 HydrophobicContact CG2-CB 4.01Å; I258-I260 HydrophobicContact CG2-CD1 3.65Å; I258-I260 HydrophobicContact CG2-CG1 3.63Å; I258-I260 PolarHBondContact O-N 2.92Å; I258-L287 HydrophobicContact CD1-CB 3.98Å; I258-R291 WeakPolarHBondContact O-CD 3.17Å; I258-R291 PolarHBondContact O-NE 2.69Å; I258-R291 PolarHBondContact O-NH1 3.37Å; I258-R291 PolarHBondContact O-NH2 3.01Å
259E62.2Low64.5Low169 Ų16948.7 Ų48.779%0.7928%0.284SS*.  trans-87.76.6-176.4-67.5-177.2178.700114.5
260I59.3Low62.6Low22 Ų2251 Ų5111%0.11330%0.3CS..  trans-64.7136-174.3-55169.8000111.1M1 E6 I258 R291M1-I260 WeakPolarHBondContact O-CG2 3.05Å; E6-I260 HydrophobicContact CB-CD1 3.74Å; E6-I260 HydrophobicContact CG-CD1 4.02Å; I258-I260 VanDerWaalsContact C-N 3.33Å; I258-I260 HydrophobicContact CG2-CB 4.01Å; I258-I260 HydrophobicContact CG2-CD1 3.65Å; I258-I260 HydrophobicContact CG2-CG1 3.63Å; I258-I260 PolarHBondContact O-N 2.92Å; I260-R291 PolarHBondContact O-NH2 2.82Å; I260-R291 VanDerWaalsContact O-NH2 3.09Å
261P56.1Low60.6Low89 Ų8953.7 Ų53.758%0.57832%0.319SS*.  trans-67.613017224.9-31.7000111.4S263P261-S263 PolarHBondContact O-N 2.73Å
262L53.1Low59Low25 Ų2553.2 Ų53.213%0.13132%0.318CS..G310 helixtrans-67.1-3.6-174.1-155.667.4000114S264 V265 L266 L295 V302L262-S264 PolarHBondContact O-N 3.23Å; L262-V265 HydrophobicContact CD1-CB 3.76Å; L262-V265 HydrophobicContact CD1-CG1 4.15Å; L262-V265 HydrophobicContact CD1-CG2 4.07Å; L262-V265 HydrophobicContact CG-CB 4.25Å; L262-V265 PolarHBondContact O-N 3.17Å; L262-L266 HydrophobicContact CB-CD1 4.31Å; L262-L266 HydrophobicContact CD2-CD1 3.2Å; L262-L266 HydrophobicContact CD2-CG 3.9Å; L262-L266 HydrophobicContact CG-CD1 3.64Å; L262-L266 HydrophobicContact CG-CG 4.01Å; L262-L266 PolarHBondContact O-N 2.91Å; L262-L295 HydrophobicContact CB-CD1 3.89Å; L262-L295 HydrophobicContact CD1-CD1 3.62Å; L262-L295 HydrophobicContact CD2-CD1 3.69Å; L262-L295 HydrophobicContact CG-CD1 3.94Å; L262-V302 HydrophobicContact CD2-CG1 3.75Å; L262-V302 HydrophobicContact CD2-CG2 4.22Å
263S50.7Low57.4Low94 Ų9458 Ų5866%0.65734%0.339SS*.G310 helixtrans-58.6-18.3175.652.50000113.7P261P261-S263 PolarHBondContact O-N 2.73Å
264S51.3Low55.7Low61 Ų6159.1 Ų59.143%0.42735%0.353SS..G310 helixtrans-92.1-12.117459.90000115.1L262L262-S264 PolarHBondContact O-N 3.23Å
265V50.9Low54.4Low38 Ų3861 Ų6123%0.2337%0.365CS..THydrogen-bonded Turntrans-105.3-26.7-178.2-179.10000111.2L262 T288L262-V265 HydrophobicContact CD1-CB 3.76Å; L262-V265 HydrophobicContact CD1-CG1 4.15Å; L262-V265 HydrophobicContact CD1-CG2 4.07Å; L262-V265 HydrophobicContact CG-CB 4.25Å; L262-V265 PolarHBondContact O-N 3.17Å; V265-T288 HydrophobicContact CG1-CG2 4.43Å
266L54.3Low53.3Low34 Ų3460.8 Ų60.818%0.17836%0.364CS..  trans-97.119.8-178.8-84.5167000113.7L262 P268 V272 L318L262-L266 HydrophobicContact CB-CD1 4.31Å; L262-L266 HydrophobicContact CD2-CD1 3.2Å; L262-L266 HydrophobicContact CD2-CG 3.9Å; L262-L266 HydrophobicContact CG-CD1 3.64Å; L262-L266 HydrophobicContact CG-CG 4.01Å; L262-L266 PolarHBondContact O-N 2.91Å; L266-P268 WeakPolarHBondContact O-CD 3.11Å; L266-V272 HydrophobicContact CD2-CG2 4.12Å; L266-L318 HydrophobicContact CD2-CD1 3.92Å; L266-L318 HydrophobicContact CD2-CD2 3.8Å; L266-L318 HydrophobicContact CD2-CG 4.47Å
267D47.9Very low52.3Low85 Ų8561.5 Ų61.546%0.45538%0.379SS..  trans-59.3113.4172.3-102.3-22.1000108.6S269 S270D267-S269 PolarHBondContact O-N 2.71Å; D267-S270 CarbonylContact O-C 3.57Å; D267-S270 PolarHBondContact O-N 2.92Å; D267-S270 PolarHBondContact O-OG 3.39Å; D267-S270 VanDerWaalsContact O-OG 3.14Å
268P46.6Very low51.4Low82 Ų8261.2 Ų61.253%0.53239%0.387SS..THydrogen-bonded Turntrans-65.1-11.6-173.425-32.6000112.9L266L266-P268 WeakPolarHBondContact O-CD 3.11Å
269S41.9Very low50.8Low109 Ų10961.9 Ų61.976%0.76239%0.392SS*.THydrogen-bonded Turntrans-77.7-23.8172.248.20000114D267D267-S269 PolarHBondContact O-N 2.71Å
270S46.1Very low50.4Low50 Ų5058 Ų5835%0.3539%0.39SS..SBendtrans-108.4111.2171.954.60000108.1D267 V272D267-S270 CarbonylContact O-C 3.57Å; D267-S270 PolarHBondContact O-N 2.92Å; D267-S270 PolarHBondContact O-OG 3.39Å; D267-S270 VanDerWaalsContact O-OG 3.14Å; S270-V272 PolarHBondContact O-N 2.94Å
271S44.7Very low50.6Low58 Ų5860.9 Ų60.941%0.40641%0.405SS..  trans-51.3129.5178.354.10000109.7Q273 G274 V275S271-Q273 CarbonylContact O-C 3.42Å; S271-Q273 PolarHBondContact O-N 3.44Å; S271-Q273 VanDerWaalsContact O-N 3.09Å; S271-G274 WeakPolarHBondContact O-CA 3.12Å; S271-G274 PolarHBondContact O-N 2.84Å; S271-G274 WeakPolarHBondContact OG-CA 3.48Å; S271-G274 PolarHBondContact OG-N 3.48Å; S271-V275 PolarHBondContact O-N 3.46Å; S271-V275 VanDerWaalsContact O-N 3.1Å
272V50.7Low51Low13 Ų1359.9 Ų59.98%0.07940%0.399CS..Hα-helixtrans-53.4-31170.31720000109.4L266 S270 V275 L276 L318 I322L266-V272 HydrophobicContact CD2-CG2 4.12Å; S270-V272 PolarHBondContact O-N 2.94Å; V272-V275 PolarHBondContact O-N 3.41Å; V272-L276 HydrophobicContact CG1-CD1 3.78Å; V272-L276 WeakPolarHBondContact O-CB 3.18Å; V272-L276 WeakPolarHBondContact O-CG 3.47Å; V272-L276 PolarHBondContact O-N 3.47Å; V272-L318 HydrophobicContact CG2-CD2 3.68Å; V272-I322 HydrophobicContact CG1-CG1 4.5Å
273Q47.1Very low51.8Low108 Ų10860.1 Ų60.151%0.50540%0.4SS..Hα-helixtrans-59.4-44.6167.9-162.5162.55.200112.9S271 L276 S277S271-Q273 CarbonylContact O-C 3.42Å; S271-Q273 PolarHBondContact O-N 3.44Å; S271-Q273 VanDerWaalsContact O-N 3.09Å; Q273-L276 PolarHBondContact O-N 3.27Å; Q273-S277 WeakPolarHBondContact O-CA 3.29Å; Q273-S277 WeakPolarHBondContact O-CB 3.5Å; Q273-S277 PolarHBondContact O-N 2.9Å; Q273-S277 PolarHBondContact O-OG 3.23Å
274G48.5Very low52.7Low32 Ų3256.9 Ų56.933%0.3337%0.374SS..Hα-helixtrans-67.9-30175.600000114.5S271 G278S271-G274 WeakPolarHBondContact O-CA 3.12Å; S271-G274 PolarHBondContact O-N 2.84Å; S271-G274 WeakPolarHBondContact OG-CA 3.48Å; S271-G274 PolarHBondContact OG-N 3.48Å; G274-G278 WeakPolarHBondContact O-CA 3.43Å; G274-G278 PolarHBondContact O-N 2.99Å
275V48.7Very low53.5Low43 Ų4355.3 Ų55.326%0.26136%0.36SS..Hα-helixtrans-72.8-43.7172.1-179.30000110.1S271 V272 C279S271-V275 PolarHBondContact O-N 3.46Å; S271-V275 VanDerWaalsContact O-N 3.1Å; V272-V275 PolarHBondContact O-N 3.41Å; V275-C279 WeakPolarHBondContact O-CB 3.35Å; V275-C279 PolarHBondContact O-N 2.68Å; V275-C279 PolarHBondContact O-SG 3.13Å
276L53.3Low54.5Low20 Ų2053.9 Ų53.911%0.10535%0.351CS..Hα-helixtrans-79.4-31.2-178.8-68.6167000113.4V272 Q273 Q285 T288 L325V272-L276 HydrophobicContact CG1-CD1 3.78Å; V272-L276 WeakPolarHBondContact O-CB 3.18Å; V272-L276 WeakPolarHBondContact O-CG 3.47Å; V272-L276 PolarHBondContact O-N 3.47Å; Q273-L276 PolarHBondContact O-N 3.27Å; L276-Q285 VanDerWaalsContact O-CD 3.29Å; L276-Q285 WeakPolarHBondContact O-CG 3.37Å; L276-Q285 PolarHBondContact O-NE2 2.97Å; L276-T288 HydrophobicContact CD2-CG2 3.67Å; L276-L325 HydrophobicContact CD1-CD2 3.47Å; L276-L325 VanDerWaalsContact CD1-CD2 3.47Å; L276-L325 HydrophobicContact CG-CD2 4.49Å
277S51.1Low55.5Low88 Ų8852.3 Ų52.362%0.61534%0.343SS*.Hα-helixtrans-94-20.5177.978.90000113.5Q273Q273-S277 WeakPolarHBondContact O-CA 3.29Å; Q273-S277 WeakPolarHBondContact O-CB 3.5Å; Q273-S277 PolarHBondContact O-N 2.9Å; Q273-S277 PolarHBondContact O-OG 3.23Å
278G47.9Very low56.6Low56 Ų5649 Ų4958%0.57733%0.326SS*.Hα-helixtrans-98.6-8.8179.100000114.8G274 A280G274-G278 WeakPolarHBondContact O-CA 3.43Å; G274-G278 PolarHBondContact O-N 2.99Å; G278-A280 PolarHBondContact O-N 3.41Å; G278-A280 VanDerWaalsContact O-N 3.08Å
279C53.5Low58Low23 Ų2345.6 Ų45.616%0.15530%0.303CS..  trans-63.6110.1170.5-86.30000110.2V275 N281 E284 Q285V275-C279 WeakPolarHBondContact O-CB 3.35Å; V275-C279 PolarHBondContact O-N 2.68Å; V275-C279 PolarHBondContact O-SG 3.13Å; C279-N281 PolarHBondContact O-N 2.89Å; C279-N281 VanDerWaalsContact O-N 3.14Å; C279-E284 HydrophobicContact CB-CB 4.28Å; C279-Q285 HydrophobicContact CB-CG 3.59Å; C279-Q285 PolarHBondContact O-NE2 3.45Å
280A54.6Low59.7Low89 Ų8941.3 Ų41.374%0.73627%0.271SS*.SBendtrans-62.6-18.3178.500000113.5G278G278-A280 PolarHBondContact O-N 3.41Å; G278-A280 VanDerWaalsContact O-N 3.08Å
281N64Low61Low82 Ų8241 Ų4144%0.43926%0.262SS..  trans-108.5121.5-177.1-68.2-33.6000111.5C279 L283 E284 Q285C279-N281 PolarHBondContact O-N 2.89Å; C279-N281 VanDerWaalsContact O-N 3.14Å; N281-L283 PolarHBondContact O-N 3.42Å; N281-L283 VanDerWaalsContact O-N 3.17Å; N281-E284 HydrophobicContact CB-CB 4.26Å; N281-E284 HydrophobicContact CB-CG 4.02Å; N281-E284 PolarHBondContact ND2-OE1 3.29Å; N281-E284 WeakPolarHBondContact O-CB 3.19Å; N281-E284 PolarHBondContact O-N 3.14Å; N281-Q285 PolarHBondContact O-N 3.46Å
282P64.9Low62.6Low68 Ų6839.1 Ų39.144%0.44225%0.247SC..Hα-helixtrans-62.9-24.7178.124.7-34.1000113.1H286P282-H286 WeakPolarHBondContact O-CB 3.36Å; P282-H286 PolarHBondContact O-N 2.97Å; P282-H286 VanDerWaalsContact O-N 3.08Å
283L68.9Low63.9Low30 Ų3038.7 Ų38.716%0.15725%0.245CC..Hα-helixtrans-65.9-40.2173.4-177.965.9000111.9L78 V80 L169 F254 N281 H286 L287L78-L283 HydrophobicContact CD2-CD2 4.33Å; V80-L283 HydrophobicContact CG2-CD1 3.68Å; L169-L283 HydrophobicContact CD1-CD1 3.64Å; F254-L283 HydrophobicContact CD1-CD2 4.08Å; F254-L283 HydrophobicContact CE1-CD2 3.9Å; N281-L283 PolarHBondContact O-N 3.42Å; N281-L283 VanDerWaalsContact O-N 3.17Å; L283-H286 PolarHBondContact O-N 3.43Å; L283-L287 HydrophobicContact CD1-CD1 4.13Å; L283-L287 HydrophobicContact CD1-CG 4.32Å; L283-L287 HydrophobicContact CG-CD1 3.95Å; L283-L287 HydrophobicContact CG-CG 4.49Å; L283-L287 WeakPolarHBondContact O-CB 3.39Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.36Å; L283-L287 PolarHBondContact O-N 3.47Å
284E69.1Low65.1Low25 Ų2536.6 Ų36.612%0.11724%0.237CC..Hα-helixtrans-67.5-41.7178.9-74.6167.8-157.800110.8L3 L7 C279 N281 H286 L287 T288L3-E284 HydrophobicContact CD2-CB 4.13Å; L3-E284 HydrophobicContact CD2-CG 4.28Å; L7-E284 HydrophobicContact CD1-CG 3.54Å; C279-E284 HydrophobicContact CB-CB 4.28Å; N281-E284 HydrophobicContact CB-CB 4.26Å; N281-E284 HydrophobicContact CB-CG 4.02Å; N281-E284 PolarHBondContact ND2-OE1 3.29Å; N281-E284 WeakPolarHBondContact O-CB 3.19Å; N281-E284 PolarHBondContact O-N 3.14Å; E284-H286 VanDerWaalsContact C-N 3.34Å; E284-H286 PolarHBondContact O-N 3.28Å; E284-L287 PolarHBondContact O-N 2.98Å; E284-T288 WeakPolarHBondContact O-CB 3.44Å; E284-T288 PolarHBondContact O-N 3.01Å; E284-T288 PolarHBondContact O-OG1 2.76Å
285Q68.8Low66.3Low28 Ų2835.5 Ų35.513%0.13122%0.224CC..Hα-helixtrans-59.3-45.8174.4-66.5175.7-20.100111.4L276 C279 N281 T288 L289 V459L276-Q285 VanDerWaalsContact O-CD 3.29Å; L276-Q285 WeakPolarHBondContact O-CG 3.37Å; L276-Q285 PolarHBondContact O-NE2 2.97Å; C279-Q285 HydrophobicContact CB-CG 3.59Å; C279-Q285 PolarHBondContact O-NE2 3.45Å; N281-Q285 PolarHBondContact O-N 3.46Å; Q285-T288 PolarHBondContact O-N 3.32Å; Q285-L289 PolarHBondContact O-N 3.22Å; Q285-V459 VanDerWaalsContact OE1-CG1 3.31Å
286H72.9Confident67.7Low8 Ų833.5 Ų33.54%0.03721%0.212CC..Hα-helixtrans-63.9-48.8179.7-165.168.3000112.2V80 Y171 P282 L283 E284 T288 L289 E290 V465 W468V80-H286 HydrophobicContact CB-CB 4.35Å; V80-H286 HydrophobicContact CG1-CB 4.16Å; V80-H286 WeakPolarHBondContact CG1-CD2 3.35Å; V80-H286 WeakPolarHBondContact CG1-CE1 3.23Å; V80-H286 WeakPolarHBondContact CG1-ND1 3.49Å; V80-H286 WeakPolarHBondContact CG1-NE2 2.71Å; V80-H286 HydrophobicContact CG2-CB 3.72Å; V80-H286 WeakPolarHBondContact CG2-CD2 3.41Å; Y171-H286 AromaticContact CE2-CD2 3.76Å; Y171-H286 AromaticContact CE2-NE2 3.31Å; Y171-H286 VanDerWaalsContact CE2-NE2 3.31Å; Y171-H286 WeakPolarHBondContact CE2-NE2 3.03Å; Y171-H286 AromaticContact CZ-CD2 3.95Å; Y171-H286 AromaticContact CZ-NE2 3.91Å; Y171-H286 PolarHBondContact OH-CD2 2.96Å; P282-H286 WeakPolarHBondContact O-CB 3.36Å; P282-H286 PolarHBondContact O-N 2.97Å; P282-H286 VanDerWaalsContact O-N 3.08Å; L283-H286 PolarHBondContact O-N 3.43Å; E284-H286 VanDerWaalsContact C-N 3.34Å; E284-H286 PolarHBondContact O-N 3.28Å; H286-T288 VanDerWaalsContact C-N 3.27Å; H286-T288 PolarHBondContact O-N 3.22Å; H286-L289 WeakPolarHBondContact O-CB 3.5Å; H286-L289 PolarHBondContact O-N 2.75Å; H286-L289 VanDerWaalsContact O-N 3.11Å; H286-E290 PolarHBondContact O-N 2.76Å; H286-V465 WeakPolarHBondContact ND1-CG2 3.47Å; H286-W468 AromaticContact CD2-CH2 3.39Å; H286-W468 WeakPolarHBondContact CD2-CH2 3.49Å; H286-W468 AromaticContact CD2-CZ3 3.35Å; H286-W468 WeakPolarHBondContact CD2-CZ3 3.31Å; H286-W468 AromaticContact CE1-CE3 3.71Å; H286-W468 AromaticContact CE1-CH2 3.43Å; H286-W468 VanDerWaalsContact CE1-CH2 3.43Å; H286-W468 WeakPolarHBondContact CE1-CH2 3.49Å; H286-W468 AromaticContact CE1-CZ3 2.97Å; H286-W468 WeakPolarHBondContact CE1-CZ3 3.42Å; H286-W468 AromaticContact CG-CZ3 3.49Å; H286-W468 VanDerWaalsContact CG-CZ3 3.49Å; H286-W468 AromaticContact ND1-CE3 3.98Å; H286-W468 AromaticContact ND1-CZ3 3.26Å; H286-W468 VanDerWaalsContact ND1-CZ3 3.26Å; H286-W468 WeakPolarHBondContact ND1-CZ3 3.43Å; H286-W468 AromaticContact NE2-CH2 3Å; H286-W468 WeakPolarHBondContact NE2-CH2 3.15Å; H286-W468 AromaticContact NE2-CZ3 3.07Å; H286-W468 WeakPolarHBondContact NE2-CZ3 3.19Å; H286-W468 VanDerWaalsContact O-CZ3 3.23Å; H286-W468 WeakPolarHBondContact O-CZ3 3.46Å
287L73.5Confident68.9Low1 Ų135.2 Ų35.21%0.00523%0.229CC..Hα-helixtrans-65.1-31.6178.9-68.5173.5000112.5L7 Y171 F254 I258 L283 E284 E290 R291L7-L287 HydrophobicContact CD1-CD1 4.34Å; L7-L287 HydrophobicContact CD2-CD1 3.32Å; L7-L287 HydrophobicContact CG-CD1 4.45Å; Y171-L287 WeakPolarHBondContact OH-CD2 3.24Å; F254-L287 HydrophobicContact CD1-CD1 4.33Å; I258-L287 HydrophobicContact CD1-CB 3.98Å; L283-L287 HydrophobicContact CD1-CD1 4.13Å; L283-L287 HydrophobicContact CD1-CG 4.32Å; L283-L287 HydrophobicContact CG-CD1 3.95Å; L283-L287 HydrophobicContact CG-CG 4.49Å; L283-L287 WeakPolarHBondContact O-CB 3.39Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.36Å; L283-L287 PolarHBondContact O-N 3.47Å; E284-L287 PolarHBondContact O-N 2.98Å; L287-E290 WeakPolarHBondContact CD2-OE2 3.35Å; L287-R291 WeakPolarHBondContact O-CB 3.31Å; L287-R291 PolarHBondContact O-N 3.03Å; L287-R291 VanDerWaalsContact O-N 3.08Å
288T71.8Confident70.1Confident17 Ų1736.2 Ų36.210%0.10423%0.232CC..Hα-helixtrans-68.1-40.3173.5-54.10000110.9L3 V265 L276 E284 Q285 H286 R291 L292L3-T288 WeakPolarHBondContact CD2-OG1 3.41Å; V265-T288 HydrophobicContact CG1-CG2 4.43Å; L276-T288 HydrophobicContact CD2-CG2 3.67Å; E284-T288 WeakPolarHBondContact O-CB 3.44Å; E284-T288 PolarHBondContact O-N 3.01Å; E284-T288 PolarHBondContact O-OG1 2.76Å; Q285-T288 PolarHBondContact O-N 3.32Å; H286-T288 VanDerWaalsContact C-N 3.27Å; H286-T288 PolarHBondContact O-N 3.22Å; T288-R291 PolarHBondContact O-N 2.93Å; T288-L292 WeakPolarHBondContact O-CB 3.41Å; T288-L292 PolarHBondContact O-N 3.34Å
289L76.9Confident71.4Confident9 Ų936.3 Ų36.35%0.04722%0.219CC..Hα-helixtrans-67.8-42.4177.2-171.169000112.2Q285 H286 R291 L292 A293 L329 V465 W468 I472Q285-L289 PolarHBondContact O-N 3.22Å; H286-L289 WeakPolarHBondContact O-CB 3.5Å; H286-L289 PolarHBondContact O-N 2.75Å; H286-L289 VanDerWaalsContact O-N 3.11Å; L289-R291 VanDerWaalsContact C-N 3.33Å; L289-R291 PolarHBondContact O-N 3.24Å; L289-L292 WeakPolarHBondContact O-CB 3.44Å; L289-L292 PolarHBondContact O-N 3.48Å; L289-A293 PolarHBondContact O-N 2.81Å; L289-L329 HydrophobicContact CD2-CD1 4.33Å; L289-V465 HydrophobicContact CD2-CB 4.24Å; L289-V465 HydrophobicContact CD2-CG1 3.63Å; L289-V465 HydrophobicContact CD2-CG2 4.41Å; L289-W468 HydrophobicContact CB-CE3 4.21Å; L289-W468 HydrophobicContact CD2-CB 4.22Å; L289-W468 HydrophobicContact CD2-CE3 4.13Å; L289-W468 HydrophobicContact CG-CB 4.14Å; L289-W468 HydrophobicContact CG-CE3 4.18Å; L289-I472 HydrophobicContact CD1-CD1 3.47Å; L289-I472 VanDerWaalsContact CD1-CD1 3.47Å; L289-I472 HydrophobicContact CG-CD1 4.13Å
290E76.6Confident72.8Confident19 Ų1940.9 Ų40.99%0.08924%0.238CC..Hα-helixtrans-53.1-52.6171.8-174.2178.4173.600110.8Y171 H286 L287 L292 A293 D294 W468Y171-E290 HydrophobicContact CE1-CG 4.46Å; Y171-E290 WeakPolarHBondContact CE1-OE1 3.31Å; Y171-E290 WeakPolarHBondContact CE1-OE2 3.32Å; Y171-E290 VanDerWaalsContact CZ-OE2 3.27Å; Y171-E290 PolarHBondContact OH-OE2 3.49Å; H286-E290 PolarHBondContact O-N 2.76Å; L287-E290 WeakPolarHBondContact CD2-OE2 3.35Å; E290-L292 VanDerWaalsContact C-N 3.27Å; E290-L292 PolarHBondContact O-N 2.87Å; E290-A293 WeakPolarHBondContact O-CB 3.37Å; E290-A293 PolarHBondContact O-N 3.31Å; E290-A293 VanDerWaalsContact O-N 3.11Å; E290-D294 PolarHBondContact O-N 3.5Å; E290-W468 HydrophobicContact CB-CD2 4.25Å; E290-W468 HydrophobicContact CB-CE3 4.06Å; E290-W468 HydrophobicContact CB-CH2 3.39Å; E290-W468 HydrophobicContact CB-CZ2 3.61Å; E290-W468 HydrophobicContact CB-CZ3 3.59Å; E290-W468 HydrophobicContact CG-CH2 3.69Å; E290-W468 HydrophobicContact CG-CZ2 3.44Å; E290-W468 VanDerWaalsContact CG-CZ2 3.44Å; E290-W468 HydrophobicContact CG-CZ3 4.36Å
291R74Confident73.9Confident45 Ų4542.5 Ų42.517%0.1723%0.234CC..Hα-helixtrans-62.6-37.5-179.1-178.654.4174.1170.6-5.6111.8I258 I260 L287 T288 L289 L295I258-R291 WeakPolarHBondContact O-CD 3.17Å; I258-R291 PolarHBondContact O-NE 2.69Å; I258-R291 PolarHBondContact O-NH1 3.37Å; I258-R291 PolarHBondContact O-NH2 3.01Å; I260-R291 PolarHBondContact O-NH2 2.82Å; I260-R291 VanDerWaalsContact O-NH2 3.09Å; L287-R291 WeakPolarHBondContact O-CB 3.31Å; L287-R291 PolarHBondContact O-N 3.03Å; L287-R291 VanDerWaalsContact O-N 3.08Å; T288-R291 PolarHBondContact O-N 2.93Å; L289-R291 VanDerWaalsContact C-N 3.33Å; L289-R291 PolarHBondContact O-N 3.24Å; R291-L295 HydrophobicContact CG-CD1 3.92Å; R291-L295 HydrophobicContact CG-CG 4.43Å; R291-L295 WeakPolarHBondContact O-CB 3.33Å; R291-L295 VanDerWaalsContact O-CG 3.26Å; R291-L295 WeakPolarHBondContact O-CG 3.23Å; R291-L295 PolarHBondContact O-N 3.36Å
292L77.1Confident74.3Confident17 Ų1739.1 Ų39.19%0.08922%0.217CC..Hα-helixtrans-63.5-43.4175.4-177.161.3000111.2T288 L289 E290 L295 V296 I322 I472T288-L292 WeakPolarHBondContact O-CB 3.41Å; T288-L292 PolarHBondContact O-N 3.34Å; L289-L292 WeakPolarHBondContact O-CB 3.44Å; L289-L292 PolarHBondContact O-N 3.48Å; E290-L292 VanDerWaalsContact C-N 3.27Å; E290-L292 PolarHBondContact O-N 2.87Å; L292-L295 PolarHBondContact O-N 3.13Å; L292-V296 HydrophobicContact CD1-CG2 4.04Å; L292-V296 HydrophobicContact CG-CG2 4.37Å; L292-V296 WeakPolarHBondContact O-CB 3.21Å; L292-V296 VanDerWaalsContact O-CG2 3.23Å; L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.48Å; L292-I322 HydrophobicContact CD1-CD1 4.4Å; L292-I322 HydrophobicContact CD2-CD1 4.4Å; L292-I322 HydrophobicContact CD2-CG1 4.37Å; L292-I322 HydrophobicContact CD2-CG2 4.17Å; L292-I472 HydrophobicContact CB-CD1 4.23Å; L292-I472 HydrophobicContact CD2-CD1 4.02Å; L292-I472 HydrophobicContact CG-CD1 4.01Å; L292-I472 HydrophobicContact CG-CG1 4.43Å
293A78.6Confident75.1Confident5 Ų537.4 Ų37.44%0.04120%0.201CC..Hα-helixtrans-60-49176.300000112L289 E290 L295 V296 A297 W468 I472L289-A293 PolarHBondContact O-N 2.81Å; E290-A293 WeakPolarHBondContact O-CB 3.37Å; E290-A293 PolarHBondContact O-N 3.31Å; E290-A293 VanDerWaalsContact O-N 3.11Å; A293-L295 VanDerWaalsContact C-N 3.35Å; A293-L295 PolarHBondContact O-N 3.29Å; A293-V296 PolarHBondContact O-N 3.01Å; A293-A297 WeakPolarHBondContact O-CB 3.26Å; A293-A297 PolarHBondContact O-N 3.37Å; A293-W468 HydrophobicContact CB-CB 4.05Å; A293-W468 HydrophobicContact CB-CG 4.14Å; A293-I472 HydrophobicContact CB-CD1 4.1Å; A293-I472 HydrophobicContact CB-CG1 3.75Å
294D73.2Confident75.6Confident63 Ų6338.7 Ų38.734%0.33721%0.212SC..Hα-helixtrans-59.2-44.5177.6-77.1-14000112.3E290 A297 T298E290-D294 PolarHBondContact O-N 3.5Å; D294-A297 PolarHBondContact O-N 3.29Å; D294-T298 WeakPolarHBondContact O-CB 3.36Å; D294-T298 WeakPolarHBondContact O-CG2 3.38Å; D294-T298 PolarHBondContact O-N 3.2Å; D294-T298 PolarHBondContact O-OG1 3.04Å
295L72Confident76Confident10 Ų1039.1 Ų39.15%0.05222%0.219CC..Hα-helixtrans-71.5-39.6-177.3-75.9174.8000112.6L262 R291 L292 A293 A297 T298 N299 V302L262-L295 HydrophobicContact CB-CD1 3.89Å; L262-L295 HydrophobicContact CD1-CD1 3.62Å; L262-L295 HydrophobicContact CD2-CD1 3.69Å; L262-L295 HydrophobicContact CG-CD1 3.94Å; R291-L295 HydrophobicContact CG-CD1 3.92Å; R291-L295 HydrophobicContact CG-CG 4.43Å; R291-L295 WeakPolarHBondContact O-CB 3.33Å; R291-L295 VanDerWaalsContact O-CG 3.26Å; R291-L295 WeakPolarHBondContact O-CG 3.23Å; R291-L295 PolarHBondContact O-N 3.36Å; L292-L295 PolarHBondContact O-N 3.13Å; A293-L295 VanDerWaalsContact C-N 3.35Å; A293-L295 PolarHBondContact O-N 3.29Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 3.45Å; L295-T298 PolarHBondContact O-N 3.3Å; L295-N299 HydrophobicContact CD2-CB 4.5Å; L295-N299 WeakPolarHBondContact O-CB 3.1Å; L295-N299 PolarHBondContact O-N 3.5Å; L295-V302 HydrophobicContact CB-CG1 4.39Å
296V79.8Confident76.5Confident0 Ų037.8 Ų37.80%021%0.212CC..Hα-helixtrans-61.7-40.7174.4165.30000110.1L292 A293 R303 I306 C475 L476L292-V296 HydrophobicContact CD1-CG2 4.04Å; L292-V296 HydrophobicContact CG-CG2 4.37Å; L292-V296 WeakPolarHBondContact O-CB 3.21Å; L292-V296 VanDerWaalsContact O-CG2 3.23Å; L292-V296 WeakPolarHBondContact O-CG2 3.44Å; L292-V296 PolarHBondContact O-N 3.48Å; A293-V296 PolarHBondContact O-N 3.01Å; V296-R303 HydrophobicContact CG1-CG 4.46Å; V296-R303 VanDerWaalsContact O-CD 3.26Å; V296-R303 WeakPolarHBondContact O-CD 3.33Å; V296-R303 WeakPolarHBondContact O-CG 3.36Å; V296-R303 PolarHBondContact O-NH1 3.08Å; V296-I306 HydrophobicContact CG2-CD1 3.92Å; V296-C475 HydrophobicContact CG1-CB 3.63Å; V296-L476 HydrophobicContact CG1-CD2 3.8Å; V296-L476 HydrophobicContact CG1-CG 3.66Å; V296-L476 HydrophobicContact CG2-CD2 4.24Å; V296-L476 HydrophobicContact CG2-CG 4.41Å
297A78.4Confident76.9Confident56 Ų5637.6 Ų37.646%0.46321%0.211SC..Hα-helixtrans-67.7-40.2177.900000112.8A293 D294 L295A293-A297 WeakPolarHBondContact O-CB 3.26Å; A293-A297 PolarHBondContact O-N 3.37Å; D294-A297 PolarHBondContact O-N 3.29Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 3.45Å
298T75.7Confident77Confident110 Ų11039.8 Ų39.868%0.67523%0.227SC*.Hα-helixtrans-99.1-31.1-168.756.10000115.4D294 L295D294-T298 WeakPolarHBondContact O-CB 3.36Å; D294-T298 WeakPolarHBondContact O-CG2 3.38Å; D294-T298 PolarHBondContact O-N 3.2Å; D294-T298 PolarHBondContact O-OG1 3.04Å; L295-T298 PolarHBondContact O-N 3.3Å
299N75.8Confident77Confident57 Ų5742.2 Ų42.231%0.30524%0.239SC..  trans-115.9110.6-166.5-168-24.5000112.9L295 N301 V302 R303L295-N299 HydrophobicContact CD2-CB 4.5Å; L295-N299 WeakPolarHBondContact O-CB 3.1Å; L295-N299 PolarHBondContact O-N 3.5Å; N299-N301 VanDerWaalsContact C-N 3.35Å; N299-N301 PolarHBondContact O-N 3.39Å; N299-N301 WeakPolarHBondContact OD1-CB 3.4Å; N299-N301 PolarHBondContact OD1-N 2.93Å; N299-V302 HydrophobicContact CB-CB 4.25Å; N299-V302 HydrophobicContact CB-CG2 3.95Å; N299-V302 PolarHBondContact O-N 3.25Å; N299-R303 PolarHBondContact O-N 3.48Å
300Q82Confident76.5Confident119 Ų11943.3 Ų43.356%0.55625%0.247SC*.Hα-helixtrans-63.6-35.4178-173.9173.94.800113.4V302 R303 S304Q300-V302 VanDerWaalsContact C-N 3.26Å; Q300-V302 PolarHBondContact O-N 2.9Å; Q300-R303 PolarHBondContact O-N 3Å; Q300-S304 PolarHBondContact O-N 3.2Å; Q300-S304 PolarHBondContact O-OG 3.01Å
301N77.4Confident75.7Confident123 Ų12347.2 Ų47.266%0.65827%0.265SS*.Hα-helixtrans-65.8-32.4179.4-65.3-28.4000111.9N299 S304 S305N299-N301 VanDerWaalsContact C-N 3.35Å; N299-N301 PolarHBondContact O-N 3.39Å; N299-N301 WeakPolarHBondContact OD1-CB 3.4Å; N299-N301 PolarHBondContact OD1-N 2.93Å; N301-S304 WeakPolarHBondContact CA-OG 3.26Å; N301-S304 PolarHBondContact O-OG 2.87Å; N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.01Å; N301-S305 VanDerWaalsContact O-N 3.08Å
302V74Confident74.9Confident12 Ų1254.4 Ų54.47%0.07331%0.306CS..Hα-helixtrans-68.9-45.9175.1174.50000109.7L262 L295 N299 Q300 S304 S305 I306L262-V302 HydrophobicContact CD2-CG1 3.75Å; L262-V302 HydrophobicContact CD2-CG2 4.22Å; L295-V302 HydrophobicContact CB-CG1 4.39Å; N299-V302 HydrophobicContact CB-CB 4.25Å; N299-V302 HydrophobicContact CB-CG2 3.95Å; N299-V302 PolarHBondContact O-N 3.25Å; Q300-V302 VanDerWaalsContact C-N 3.26Å; Q300-V302 PolarHBondContact O-N 2.9Å; V302-S304 PolarHBondContact O-N 3.5Å; V302-S305 PolarHBondContact O-N 3.45Å; V302-S305 PolarHBondContact O-OG 3.31Å; V302-I306 HydrophobicContact CG1-CD1 4Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 3.43Å
303R81.3Confident74.2Confident32 Ų3256.5 Ų56.512%0.12133%0.331CS..Hα-helixtrans-61.4-44.5177.1-65-166.7-61.3-94.74.2112.6V296 N299 Q300 S305 I306 F307 L476 A479 E483V296-R303 HydrophobicContact CG1-CG 4.46Å; V296-R303 VanDerWaalsContact O-CD 3.26Å; V296-R303 WeakPolarHBondContact O-CD 3.33Å; V296-R303 WeakPolarHBondContact O-CG 3.36Å; V296-R303 PolarHBondContact O-NH1 3.08Å; N299-R303 PolarHBondContact O-N 3.48Å; Q300-R303 PolarHBondContact O-N 3Å; R303-S305 VanDerWaalsContact C-N 3.3Å; R303-S305 PolarHBondContact O-N 2.73Å; R303-I306 WeakPolarHBondContact O-CB 3.26Å; R303-I306 PolarHBondContact O-N 2.86Å; R303-F307 HydrophobicContact CB-CE2 4.06Å; R303-F307 WeakPolarHBondContact O-CD2 3.31Å; R303-F307 WeakPolarHBondContact O-CG 3.45Å; R303-F307 PolarHBondContact O-N 3.02Å; R303-L476 HydrophobicContact CG-CD2 4.13Å; R303-A479 VanDerWaalsContact CD-CB 3.41Å; R303-E483 VanDerWaalsContact CB-OE2 3.25Å; R303-E483 WeakPolarHBondContact CB-OE2 3.38Å; R303-E483 IonicContact CZ-OE1 3.7Å; R303-E483 IonicContact CZ-OE2 3.89Å; R303-E483 IonicContact NE-OE1 3.29Å; R303-E483 PolarHBondContact NE-OE1 3.41Å; R303-E483 IonicContact NE-OE2 2.83Å; R303-E483 PolarHBondContact NE-OE2 3.35Å; R303-E483 IonicContact NH2-OE1 3.69Å; R303-E483 PolarHBondContact NH2-OE1 2.95Å; R303-E483 IonicContact NH2-OE2 3.41Å
304S78Confident73.7Confident56 Ų5658.4 Ų58.439%0.39235%0.352SS..Hα-helixtrans-62.1-37.3176.367.50000112.2Q300 N301 V302 I306 F307 S308Q300-S304 PolarHBondContact O-N 3.2Å; Q300-S304 PolarHBondContact O-OG 3.01Å; N301-S304 WeakPolarHBondContact CA-OG 3.26Å; N301-S304 PolarHBondContact O-OG 2.87Å; V302-S304 PolarHBondContact O-N 3.5Å; S304-I306 VanDerWaalsContact C-N 3.34Å; S304-I306 PolarHBondContact O-N 2.74Å; S304-F307 PolarHBondContact O-N 2.91Å; S304-S308 WeakPolarHBondContact O-CB 3.17Å; S304-S308 PolarHBondContact O-N 3.37Å
305S77.9Confident73.6Confident35 Ų3562.9 Ų62.925%0.24536%0.364CS..Hα-helixtrans-64.6-36173.278.10000112.9N301 V302 R303 S308N301-S305 WeakPolarHBondContact O-CB 3.46Å; N301-S305 PolarHBondContact O-N 3.01Å; N301-S305 VanDerWaalsContact O-N 3.08Å; V302-S305 PolarHBondContact O-N 3.45Å; V302-S305 PolarHBondContact O-OG 3.31Å; R303-S305 VanDerWaalsContact C-N 3.3Å; R303-S305 PolarHBondContact O-N 2.73Å; S305-S308 WeakPolarHBondContact O-CB 3.28Å; S305-S308 PolarHBondContact O-N 2.86Å; S305-S308 PolarHBondContact O-OG 3.03Å
306I79.5Confident73.7Confident0 Ų063.2 Ų63.20%037%0.367CS..Hα-helixtrans-67.2-39.4176.8-68.2165.5000110.9V296 V302 R303 S304 S308 W319 I322 L476V296-I306 HydrophobicContact CG2-CD1 3.92Å; V302-I306 HydrophobicContact CG1-CD1 4Å; V302-I306 WeakPolarHBondContact O-CG1 3.43Å; V302-I306 PolarHBondContact O-N 3.43Å; R303-I306 WeakPolarHBondContact O-CB 3.26Å; R303-I306 PolarHBondContact O-N 2.86Å; S304-I306 VanDerWaalsContact C-N 3.34Å; S304-I306 PolarHBondContact O-N 2.74Å; I306-S308 VanDerWaalsContact C-N 3.32Å; I306-W319 HydrophobicContact CG2-CB 4.23Å; I306-W319 HydrophobicContact CG2-CE3 4.45Å; I306-W319 PolarHBondContact O-N 3.05Å; I306-I322 HydrophobicContact CD1-CD1 3.87Å; I306-I322 HydrophobicContact CG1-CD1 3.88Å; I306-I322 HydrophobicContact CG2-CD1 4.14Å; I306-L476 HydrophobicContact CD1-CD2 4.03Å; I306-L476 HydrophobicContact CG2-CD1 4.36Å; I306-L476 HydrophobicContact CG2-CD2 4.23Å
307F81.7Confident73.6Confident4 Ų464.6 Ų64.62%0.01838%0.375CS..Hα-helixtrans-76.4-19175.5-56.5-42.1000113.1R303 S304 W319 L476 A479 A480 E483 D484 F486 V489R303-F307 HydrophobicContact CB-CE2 4.06Å; R303-F307 WeakPolarHBondContact O-CD2 3.31Å; R303-F307 WeakPolarHBondContact O-CG 3.45Å; R303-F307 PolarHBondContact O-N 3.02Å; S304-F307 PolarHBondContact O-N 2.91Å; F307-W319 HydrophobicContact CE1-CE3 4.44Å; F307-L476 HydrophobicContact CE1-CD2 4.15Å; F307-L476 HydrophobicContact CZ-CB 4.4Å; F307-L476 HydrophobicContact CZ-CD2 3.91Å; F307-A479 HydrophobicContact CE2-CB 4.48Å; F307-A480 HydrophobicContact CE1-CB 4.33Å; F307-A480 HydrophobicContact CZ-CB 4.05Å; F307-E483 HydrophobicContact CD2-CB 3.98Å; F307-E483 HydrophobicContact CE2-CB 3.82Å; F307-D484 HydrophobicContact CD1-CB 4.32Å; F307-D484 HydrophobicContact CD2-CB 4.39Å; F307-D484 HydrophobicContact CG-CB 4.24Å; F307-F486 WeakPolarHBondContact O-CD2 3.41Å; F307-V489 HydrophobicContact CD1-CG2 4.07Å; F307-V489 HydrophobicContact CE1-CG2 3.54Å; F307-V489 HydrophobicContact CZ-CG2 4.42Å
308S75.9Confident73.5Confident47 Ų4762.8 Ų62.833%0.32936%0.357SS..SBendtrans-66149-177.777.80000113.3S304 S305 I306 S310S304-S308 WeakPolarHBondContact O-CB 3.17Å; S304-S308 PolarHBondContact O-N 3.37Å; S305-S308 WeakPolarHBondContact O-CB 3.28Å; S305-S308 PolarHBondContact O-N 2.86Å; S305-S308 PolarHBondContact O-OG 3.03Å; I306-S308 VanDerWaalsContact C-N 3.32Å; S308-S310 PolarHBondContact O-N 3.03Å; S308-S310 PolarHBondContact O-OG 3.22Å
309L72.2Confident73.9Confident68 Ų6857.9 Ų57.936%0.35633%0.327SS..  trans-73.496175.3-58.7179.4000109.1H311 G314 F486L309-H311 PolarHBondContact O-N 3.43Å; L309-G314 WeakPolarHBondContact CD2-O 3.4Å; L309-F486 HydrophobicContact CD1-CD1 3.98Å; L309-F486 HydrophobicContact CD1-CE1 3.45Å; L309-F486 VanDerWaalsContact CD1-CE1 3.45Å; L309-F486 HydrophobicContact CD1-CE2 4.17Å; L309-F486 HydrophobicContact CD1-CZ 3.56Å; L309-F486 HydrophobicContact CD2-CD1 4.31Å; L309-F486 HydrophobicContact CD2-CD2 4.09Å; L309-F486 HydrophobicContact CD2-CE1 4.47Å; L309-F486 HydrophobicContact CD2-CE2 4.27Å; L309-F486 HydrophobicContact CD2-CG 4.12Å; L309-F486 HydrophobicContact CD2-CZ 4.45Å; L309-F486 HydrophobicContact CG-CD1 4.25Å; L309-F486 HydrophobicContact CG-CD2 4.06Å; L309-F486 HydrophobicContact CG-CE1 3.92Å; L309-F486 HydrophobicContact CG-CE2 3.71Å; L309-F486 HydrophobicContact CG-CG 4.32Å; L309-F486 HydrophobicContact CG-CZ 3.64Å
310S64.8Low74.2Confident31 Ų3160.4 Ų60.422%0.21733%0.332CS..  trans-80.7-12.6-170.116.80000114.2S308 V317S308-S310 PolarHBondContact O-N 3.03Å; S308-S310 PolarHBondContact O-OG 3.22Å; S310-V317 PolarHBondContact OG-N 2.89Å
311H61.4Low74.1Confident102 Ų10256.6 Ų56.647%0.47231%0.314SS..BIsolated β-bridgetrans-130151.1177.7-75.3-91.6000111.4L309 G313 G314 V317L309-H311 PolarHBondContact O-N 3.43Å; H311-G313 PolarHBondContact O-N 3.1Å; H311-G314 PolarHBondContact O-N 3.16Å; H311-V317 HydrophobicContact CB-CG2 4.44Å; H311-V317 WeakPolarHBondContact CD2-CG2 3.49Å
312L57.2Low74.4Confident195 Ų19550.9 Ų50.9100%1.02128%0.284SS*.THydrogen-bonded Turntrans-47.5-16173.2-78147.4000114.6
313G61.6Low75Confident61 Ų6150.6 Ų50.663%0.62928%0.282SS*.THydrogen-bonded Turntrans-87.110.1175.700000116.1H311 R315H311-G313 PolarHBondContact O-N 3.1Å; G313-R315 VanDerWaalsContact C-N 3.28Å; G313-R315 PolarHBondContact O-N 3.4Å
314G67.8Low75.2Confident46 Ų4652.4 Ų52.447%0.47429%0.294SS..THydrogen-bonded Turntrans63.230.5174.200000114.3L309 H311L309-G314 WeakPolarHBondContact CD2-O 3.4Å; H311-G314 PolarHBondContact O-N 3.16Å
315R70.5Confident75.4Confident157 Ų15751.9 Ų51.959%0.59229%0.286SS*.BIsolated β-bridgetrans-113.8139178.4-68.6177.7-179.7-170.80.4111G313 V317G313-R315 VanDerWaalsContact C-N 3.28Å; G313-R315 PolarHBondContact O-N 3.4Å; R315-V317 VanDerWaalsContact C-N 3.31Å; R315-V317 HydrophobicContact CB-CG2 4.31Å; R315-V317 PolarHBondContact O-N 3.49Å
316P75.6Confident75.8Confident17 Ų1750.2 Ų50.211%0.1128%0.275CS..  trans-77.980.517534.9-38.5000109.4W319 R320 S488P316-W319 HydrophobicContact CB-CB 4.12Å; P316-R320 PolarHBondContact O-N 2.94Å; P316-S488 WeakPolarHBondContact CG-OG 3.47Å
317V76Confident76.3Confident29 Ų2950.4 Ų50.418%0.17628%0.276CS..Hα-helixtrans-69.4-39.2-172.4174.30000111.7S310 H311 R315 R320 Q321S310-V317 PolarHBondContact OG-N 2.89Å; H311-V317 HydrophobicContact CB-CG2 4.44Å; H311-V317 WeakPolarHBondContact CD2-CG2 3.49Å; R315-V317 VanDerWaalsContact C-N 3.31Å; R315-V317 HydrophobicContact CB-CG2 4.31Å; R315-V317 PolarHBondContact O-N 3.49Å; V317-R320 PolarHBondContact O-N 2.99Å; V317-Q321 HydrophobicContact CG1-CG 4.3Å; V317-Q321 WeakPolarHBondContact O-CG 3.37Å; V317-Q321 PolarHBondContact O-N 3.02Å
318L76.2Confident76.5Confident17 Ų1755.5 Ų55.59%0.08930%0.3CS..Hα-helixtrans-62.5-48.7177.9-69.4172.3000112.2L266 V272 R320 Q321 I322L266-L318 HydrophobicContact CD2-CD1 3.92Å; L266-L318 HydrophobicContact CD2-CD2 3.8Å; L266-L318 HydrophobicContact CD2-CG 4.47Å; V272-L318 HydrophobicContact CG2-CD2 3.68Å; L318-R320 VanDerWaalsContact C-N 3.31Å; L318-R320 PolarHBondContact O-N 3.18Å; L318-Q321 PolarHBondContact O-N 3.19Å; L318-I322 WeakPolarHBondContact O-CG1 3.3Å; L318-I322 PolarHBondContact O-N 3.13Å
319W84.2Confident76.8Confident8 Ų854.2 Ų54.23%0.0329%0.289CS..Hα-helixtrans-52.3-49.4171.3167.3-116.9000111.7I306 F307 P316 Q321 I322 S323 L473 L476 S488 V489 T492 I496I306-W319 HydrophobicContact CG2-CB 4.23Å; I306-W319 HydrophobicContact CG2-CE3 4.45Å; I306-W319 PolarHBondContact O-N 3.05Å; F307-W319 HydrophobicContact CE1-CE3 4.44Å; P316-W319 HydrophobicContact CB-CB 4.12Å; W319-Q321 VanDerWaalsContact C-N 3.34Å; W319-Q321 PolarHBondContact O-N 3.1Å; W319-I322 PolarHBondContact O-N 3.33Å; W319-S323 VanDerWaalsContact O-CB 3.23Å; W319-S323 WeakPolarHBondContact O-CB 3.4Å; W319-S323 PolarHBondContact O-N 3.06Å; W319-S323 PolarHBondContact O-OG 2.93Å; W319-L473 HydrophobicContact CH2-CD1 3.87Å; W319-L473 HydrophobicContact CZ3-CD1 4.41Å; W319-L476 HydrophobicContact CE3-CD1 4.03Å; W319-L476 HydrophobicContact CZ3-CB 3.75Å; W319-L476 HydrophobicContact CZ3-CD1 3.72Å; W319-L476 HydrophobicContact CZ3-CG 4.32Å; W319-S488 PolarHBondContact NE1-O 3.15Å; W319-V489 HydrophobicContact CD2-CG2 3.92Å; W319-V489 HydrophobicContact CE3-CG2 4.02Å; W319-V489 HydrophobicContact CH2-CB 4.28Å; W319-V489 HydrophobicContact CH2-CG1 3.81Å; W319-V489 HydrophobicContact CH2-CG2 3.77Å; W319-V489 HydrophobicContact CZ2-CB 3.99Å; W319-V489 HydrophobicContact CZ2-CG1 3.83Å; W319-V489 HydrophobicContact CZ2-CG2 3.67Å; W319-V489 HydrophobicContact CZ3-CG2 3.94Å; W319-T492 WeakPolarHBondContact CZ2-OG1 3.46Å; W319-I496 HydrophobicContact CH2-CD1 3.96Å; W319-I496 HydrophobicContact CZ2-CD1 4.06Å
320R83.3Confident77.6Confident110 Ų11051 Ų5142%0.41527%0.272SS..Hα-helixtrans-62.8-40-178.7-172.8176.6-71.8128.4-0.6112.1P316 V317 L318 S323 N324P316-R320 PolarHBondContact O-N 2.94Å; V317-R320 PolarHBondContact O-N 2.99Å; L318-R320 VanDerWaalsContact C-N 3.31Å; L318-R320 PolarHBondContact O-N 3.18Å; R320-S323 WeakPolarHBondContact CA-OG 3.14Å; R320-S323 PolarHBondContact O-OG 3.39Å; R320-N324 WeakPolarHBondContact O-CB 3.49Å; R320-N324 PolarHBondContact O-N 3.08Å; R320-N324 PolarHBondContact O-ND2 3.38Å; R320-N324 VanDerWaalsContact O-ND2 3.16Å
321Q79.6Confident78.7Confident38 Ų3853.2 Ų53.218%0.17828%0.279CS..Hα-helixtrans-66.9-48.5178.4-73.5176.94.700111.9V317 L318 W319 L325V317-Q321 HydrophobicContact CG1-CG 4.3Å; V317-Q321 WeakPolarHBondContact O-CG 3.37Å; V317-Q321 PolarHBondContact O-N 3.02Å; L318-Q321 PolarHBondContact O-N 3.19Å; W319-Q321 VanDerWaalsContact C-N 3.34Å; W319-Q321 PolarHBondContact O-N 3.1Å; Q321-L325 PolarHBondContact O-N 3.48Å; Q321-L325 VanDerWaalsContact O-N 3.1Å
322I82.9Confident79.8Confident4 Ų452 Ų522%0.02127%0.274CS..Hα-helixtrans-67.2-47.1-178.5-65.5169.6000110.7V272 L292 I306 L318 W319 N324 L325 C326 I472 L476V272-I322 HydrophobicContact CG1-CG1 4.5Å; L292-I322 HydrophobicContact CD1-CD1 4.4Å; L292-I322 HydrophobicContact CD2-CD1 4.4Å; L292-I322 HydrophobicContact CD2-CG1 4.37Å; L292-I322 HydrophobicContact CD2-CG2 4.17Å; I306-I322 HydrophobicContact CD1-CD1 3.87Å; I306-I322 HydrophobicContact CG1-CD1 3.88Å; I306-I322 HydrophobicContact CG2-CD1 4.14Å; L318-I322 WeakPolarHBondContact O-CG1 3.3Å; L318-I322 PolarHBondContact O-N 3.13Å; W319-I322 PolarHBondContact O-N 3.33Å; I322-N324 PolarHBondContact O-N 3.38Å; I322-L325 WeakPolarHBondContact O-CB 3.43Å; I322-L325 PolarHBondContact O-N 3.33Å; I322-C326 PolarHBondContact O-N 3.12Å; I322-C326 PolarHBondContact O-SG 3.35Å; I322-I472 HydrophobicContact CG2-CG2 3.71Å; I322-L476 HydrophobicContact CG2-CD1 4.18Å
323S87.5Confident81.2Confident5 Ų542.7 Ų42.74%0.03523%0.225CC..Hα-helixtrans-61.4-46.1178.158.10000111.4W319 R320 L325 C326 F327W319-S323 VanDerWaalsContact O-CB 3.23Å; W319-S323 WeakPolarHBondContact O-CB 3.4Å; W319-S323 PolarHBondContact O-N 3.06Å; W319-S323 PolarHBondContact O-OG 2.93Å; R320-S323 WeakPolarHBondContact CA-OG 3.14Å; R320-S323 PolarHBondContact O-OG 3.39Å; S323-L325 VanDerWaalsContact C-N 3.29Å; S323-L325 PolarHBondContact O-N 2.85Å; S323-C326 PolarHBondContact O-N 3.21Å; S323-F327 WeakPolarHBondContact O-CB 3.45Å; S323-F327 WeakPolarHBondContact O-CD2 3.29Å; S323-F327 PolarHBondContact O-N 3.18Å
324N85.2Confident82.4Confident70 Ų7040.1 Ų40.137%0.37420%0.197SC..Hα-helixtrans-58.9-39.9177.2-77-16.1000112.3R320 I322 F327 Q328R320-N324 WeakPolarHBondContact O-CB 3.49Å; R320-N324 PolarHBondContact O-N 3.08Å; R320-N324 PolarHBondContact O-ND2 3.38Å; R320-N324 VanDerWaalsContact O-ND2 3.16Å; I322-N324 PolarHBondContact O-N 3.38Å; N324-F327 PolarHBondContact O-N 3.21Å; N324-Q328 WeakPolarHBondContact O-CB 3.47Å; N324-Q328 VanDerWaalsContact O-CG 3.24Å; N324-Q328 WeakPolarHBondContact O-CG 3.34Å; N324-Q328 PolarHBondContact O-N 3.03Å
325L82.9Confident83.2Confident45 Ų4540.8 Ų40.824%0.23619%0.194CC..Hα-helixtrans-62.7-49.5175179.271.4000111.3L276 Q321 I322 S323 F327 Q328 L329L276-L325 HydrophobicContact CD1-CD2 3.47Å; L276-L325 VanDerWaalsContact CD1-CD2 3.47Å; L276-L325 HydrophobicContact CG-CD2 4.49Å; Q321-L325 PolarHBondContact O-N 3.48Å; Q321-L325 VanDerWaalsContact O-N 3.1Å; I322-L325 WeakPolarHBondContact O-CB 3.43Å; I322-L325 PolarHBondContact O-N 3.33Å; S323-L325 VanDerWaalsContact C-N 3.29Å; S323-L325 PolarHBondContact O-N 2.85Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.06Å; L325-Q328 PolarHBondContact O-N 3.34Å; L325-L329 HydrophobicContact CD1-CD1 4.38Å; L325-L329 HydrophobicContact CG-CD1 4.11Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.48Å
326C86.5Confident83.8Confident1 Ų134 Ų341%0.00717%0.169CC..Hα-helixtrans-61.6-41.5178-67.50000111.9I322 S323 L329 I330 A469 L473I322-C326 PolarHBondContact O-N 3.12Å; I322-C326 PolarHBondContact O-SG 3.35Å; S323-C326 PolarHBondContact O-N 3.21Å; C326-L329 PolarHBondContact O-N 3.26Å; C326-I330 VanDerWaalsContact O-CG1 3.29Å; C326-I330 WeakPolarHBondContact O-CG1 3.26Å; C326-I330 PolarHBondContact O-N 3.45Å; C326-A469 HydrophobicContact CB-CB 4.23Å; C326-L473 HydrophobicContact CB-CB 4.42Å
327F88.2Confident84.1Confident4 Ų433.1 Ų33.12%0.01816%0.164CC..Hα-helixtrans-58.3-51.2174.2-82.5-64.6000111.1S323 N324 L325 L329 I330 E331 R495 I496 L499S323-F327 WeakPolarHBondContact O-CB 3.45Å; S323-F327 WeakPolarHBondContact O-CD2 3.29Å; S323-F327 PolarHBondContact O-N 3.18Å; N324-F327 PolarHBondContact O-N 3.21Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.06Å; F327-L329 VanDerWaalsContact C-N 3.33Å; F327-L329 PolarHBondContact O-N 2.9Å; F327-I330 PolarHBondContact O-N 3.47Å; F327-E331 WeakPolarHBondContact O-CB 3.49Å; F327-E331 WeakPolarHBondContact O-CG 3.45Å; F327-E331 PolarHBondContact O-N 3.3Å; F327-R495 HydrophobicContact CE1-CB 4.39Å; F327-R495 HydrophobicContact CE1-CG 3.67Å; F327-R495 HydrophobicContact CZ-CB 4.27Å; F327-R495 HydrophobicContact CZ-CG 3.92Å; F327-I496 HydrophobicContact CE1-CG1 4.45Å; F327-I496 HydrophobicContact CE2-CG1 4.44Å; F327-I496 HydrophobicContact CZ-CG1 3.65Å; F327-L499 HydrophobicContact CD1-CD1 4.27Å; F327-L499 HydrophobicContact CD1-CD2 3.49Å; F327-L499 VanDerWaalsContact CD1-CD2 3.49Å; F327-L499 HydrophobicContact CD1-CG 4.33Å; F327-L499 HydrophobicContact CE1-CB 4.24Å; F327-L499 HydrophobicContact CE1-CD2 3.69Å; F327-L499 HydrophobicContact CE1-CG 4.43Å; F327-L499 HydrophobicContact CG-CD2 4.49Å
328Q85.8Confident84.5Confident110 Ų11037.2 Ų37.251%0.51418%0.176SC..Hα-helixtrans-57.6-45179.7-75.9173.1-6.900112.2N324 L325 Q332N324-Q328 WeakPolarHBondContact O-CB 3.47Å; N324-Q328 VanDerWaalsContact O-CG 3.24Å; N324-Q328 WeakPolarHBondContact O-CG 3.34Å; N324-Q328 PolarHBondContact O-N 3.03Å; L325-Q328 PolarHBondContact O-N 3.34Å; Q328-Q332 WeakPolarHBondContact O-CB 3.35Å; Q328-Q332 PolarHBondContact O-N 2.9Å
329L83.4Confident84.7Confident20 Ų2039.7 Ų39.711%0.10519%0.188CC..Hα-helixtrans-63.7-46.1179.7-69.9170.1000112.1L289 L325 C326 F327 F333 T461 V465 I466 A469L289-L329 HydrophobicContact CD2-CD1 4.33Å; L325-L329 HydrophobicContact CD1-CD1 4.38Å; L325-L329 HydrophobicContact CG-CD1 4.11Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-L329 PolarHBondContact O-N 3.48Å; C326-L329 PolarHBondContact O-N 3.26Å; F327-L329 VanDerWaalsContact C-N 3.33Å; F327-L329 PolarHBondContact O-N 2.9Å; L329-F333 WeakPolarHBondContact O-CB 3.5Å; L329-F333 PolarHBondContact O-N 3.44Å; L329-F333 VanDerWaalsContact O-N 3.08Å; L329-T461 HydrophobicContact CD2-CG2 4.06Å; L329-V465 HydrophobicContact CD1-CG1 3.69Å; L329-V465 HydrophobicContact CD2-CG1 3.87Å; L329-V465 HydrophobicContact CG-CG1 4.27Å; L329-I466 HydrophobicContact CB-CD1 4.33Å; L329-I466 VanDerWaalsContact O-CD1 3.32Å; L329-I466 WeakPolarHBondContact O-CD1 3.45Å; L329-A469 HydrophobicContact CB-CB 4.34Å; L329-A469 HydrophobicContact CD1-CB 4.19Å
330I88Confident84.2Confident0 Ų039.8 Ų39.80%019%0.189CC..Hα-helixtrans-72.9-41.9-178.7-62.3166.5000110.9C326 F327 Q332 F333 L334 A469 L473 L499 F500 F586C326-I330 VanDerWaalsContact O-CG1 3.29Å; C326-I330 WeakPolarHBondContact O-CG1 3.26Å; C326-I330 PolarHBondContact O-N 3.45Å; F327-I330 PolarHBondContact O-N 3.47Å; I330-Q332 VanDerWaalsContact C-N 3.35Å; I330-Q332 PolarHBondContact O-N 3.33Å; I330-F333 PolarHBondContact O-N 2.84Å; I330-L334 HydrophobicContact CG2-CD1 4.05Å; I330-L334 HydrophobicContact CG2-CG 4.38Å; I330-L334 VanDerWaalsContact O-CB 3.31Å; I330-L334 WeakPolarHBondContact O-CB 3.39Å; I330-L334 VanDerWaalsContact O-CG 3.3Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.19Å; I330-A469 HydrophobicContact CD1-CB 4.29Å; I330-A469 HydrophobicContact CG1-CB 4.16Å; I330-L473 HydrophobicContact CD1-CD2 4.48Å; I330-L499 HydrophobicContact CB-CD1 4.32Å; I330-L499 HydrophobicContact CB-CD2 3.86Å; I330-L499 HydrophobicContact CB-CG 4.23Å; I330-L499 HydrophobicContact CD1-CD2 3.69Å; I330-L499 HydrophobicContact CG1-CD2 4.38Å; I330-L499 HydrophobicContact CG2-CD1 3.83Å; I330-L499 HydrophobicContact CG2-CD2 3.77Å; I330-L499 HydrophobicContact CG2-CG 3.63Å; I330-F500 HydrophobicContact CD1-CE1 4.49Å; I330-F586 HydrophobicContact CG2-CE1 4.13Å; I330-F586 HydrophobicContact CG2-CZ 4.07Å
331E88.5Confident84Confident78 Ų7834.8 Ų34.836%0.36417%0.171SC..Hα-helixtrans-62.8-40.1177.3-73.1174.6174.800111.5F327 L334 S335 R495 L499F327-E331 WeakPolarHBondContact O-CB 3.49Å; F327-E331 WeakPolarHBondContact O-CG 3.45Å; F327-E331 PolarHBondContact O-N 3.3Å; E331-L334 WeakPolarHBondContact O-CB 3.26Å; E331-L334 PolarHBondContact O-N 2.93Å; E331-S335 PolarHBondContact O-N 2.77Å; E331-R495 IonicContact OE1-CZ 3.45Å; E331-R495 IonicContact OE1-NE 2.65Å; E331-R495 IonicContact OE1-NH2 2.73Å; E331-R495 PolarHBondContact OE1-NH2 2.81Å; E331-R495 IonicContact OE2-NH2 2.61Å; E331-L499 HydrophobicContact CG-CD1 3.65Å
332Q84.8Confident84Confident77 Ų7736.2 Ų36.236%0.3618%0.182SC..Hα-helixtrans-68.2-40.6175.5-172.4173.56.600112.2Q328 I330 L334 S335 N336 T444Q328-Q332 WeakPolarHBondContact O-CB 3.35Å; Q328-Q332 PolarHBondContact O-N 2.9Å; I330-Q332 VanDerWaalsContact C-N 3.35Å; I330-Q332 PolarHBondContact O-N 3.33Å; Q332-L334 VanDerWaalsContact C-N 3.31Å; Q332-L334 PolarHBondContact O-N 2.9Å; Q332-S335 PolarHBondContact O-N 3.44Å; Q332-S335 PolarHBondContact O-OG 3.17Å; Q332-N336 WeakPolarHBondContact O-CB 3.25Å; Q332-N336 PolarHBondContact O-N 3.01Å; Q332-N336 VanDerWaalsContact O-N 3.15Å; Q332-N336 PolarHBondContact O-ND2 3.29Å; Q332-T444 HydrophobicContact CB-CG2 4.45Å; Q332-T444 HydrophobicContact CG-CG2 3.93Å; Q332-T444 VanDerWaalsContact NE2-CB 3.29Å; Q332-T444 PolarHBondContact NE2-O 2.88Å
333F85.9Confident83.4Confident0 Ų041 Ų410%020%0.2CC..Hα-helixtrans-62.5-40.7172.1171.9-104.4000111.6L329 I330 N336 A337 L439 F440 A443 I466 V507 V582 F586L329-F333 WeakPolarHBondContact O-CB 3.5Å; L329-F333 PolarHBondContact O-N 3.44Å; L329-F333 VanDerWaalsContact O-N 3.08Å; I330-F333 PolarHBondContact O-N 2.84Å; F333-N336 WeakPolarHBondContact O-CB 3.32Å; F333-N336 PolarHBondContact O-N 3.38Å; F333-A337 WeakPolarHBondContact O-CB 3.46Å; F333-A337 PolarHBondContact O-N 3.39Å; F333-L439 HydrophobicContact CE2-CD1 4.22Å; F333-L439 HydrophobicContact CE2-CG 4.17Å; F333-F440 HydrophobicContact CE2-CD1 4.12Å; F333-F440 HydrophobicContact CE2-CE1 4.14Å; F333-F440 HydrophobicContact CZ-CD1 4.07Å; F333-F440 AromaticContact CZ-CE1 3.64Å; F333-F440 HydrophobicContact CZ-CE1 3.64Å; F333-F440 HydrophobicContact CZ-CZ 4.25Å; F333-A443 HydrophobicContact CD2-CB 3.79Å; F333-I466 HydrophobicContact CB-CD1 3.57Å; F333-I466 HydrophobicContact CB-CG1 3.93Å; F333-I466 HydrophobicContact CD1-CG1 4.45Å; F333-I466 HydrophobicContact CD1-CG2 4Å; F333-I466 HydrophobicContact CD2-CG1 4.09Å; F333-I466 HydrophobicContact CE1-CG2 4.4Å; F333-I466 HydrophobicContact CG-CD1 4.11Å; F333-I466 HydrophobicContact CG-CG1 3.89Å; F333-I466 HydrophobicContact CG-CG2 4.29Å; F333-V507 HydrophobicContact CE1-CG2 3.69Å; F333-V507 HydrophobicContact CZ-CG2 3.99Å; F333-V582 HydrophobicContact CE1-CG1 4.28Å; F333-V582 HydrophobicContact CZ-CG1 4.25Å; F333-F586 HydrophobicContact CE1-CE2 4.2Å
334L87.4Confident82.2Confident6 Ų641 Ų413%0.03120%0.201CC..Hα-helixtrans-62.5-45.6177.2-84.9173.9000112.8I330 E331 Q332 N336 A337 R338 L499 D502 A506I330-L334 HydrophobicContact CG2-CD1 4.05Å; I330-L334 HydrophobicContact CG2-CG 4.38Å; I330-L334 VanDerWaalsContact O-CB 3.31Å; I330-L334 WeakPolarHBondContact O-CB 3.39Å; I330-L334 VanDerWaalsContact O-CG 3.3Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.19Å; E331-L334 WeakPolarHBondContact O-CB 3.26Å; E331-L334 PolarHBondContact O-N 2.93Å; Q332-L334 VanDerWaalsContact C-N 3.31Å; Q332-L334 PolarHBondContact O-N 2.9Å; L334-N336 VanDerWaalsContact C-N 3.28Å; L334-N336 PolarHBondContact O-N 2.89Å; L334-A337 PolarHBondContact O-N 3.07Å; L334-R338 WeakPolarHBondContact O-CB 3.49Å; L334-R338 VanDerWaalsContact O-CG 3.24Å; L334-R338 WeakPolarHBondContact O-CG 3.17Å; L334-R338 PolarHBondContact O-N 3Å; L334-L499 HydrophobicContact CD1-CD1 3.9Å; L334-D502 HydrophobicContact CD1-CB 4.15Å; L334-D502 WeakPolarHBondContact CD2-O 3.24Å; L334-A506 HydrophobicContact CD2-CB 3.55Å
335S85.6Confident81.2Confident61 Ų6140.2 Ų40.243%0.42720%0.199SC..Hα-helixtrans-60.1-42.9176.162.20000110.9E331 Q332 R338 E339E331-S335 PolarHBondContact O-N 2.77Å; Q332-S335 PolarHBondContact O-N 3.44Å; Q332-S335 PolarHBondContact O-OG 3.17Å; S335-R338 PolarHBondContact O-N 2.98Å; S335-E339 WeakPolarHBondContact O-CB 3.33Å; S335-E339 PolarHBondContact O-N 3.46Å
336N81.4Confident80Confident13 Ų1342.9 Ų42.97%0.0721%0.213CC..Hα-helixtrans-66.3-41.6178.5-75.5-9.7000112.5Q332 F333 L334 E339 S340 L439 A443 T444 I446Q332-N336 WeakPolarHBondContact O-CB 3.25Å; Q332-N336 PolarHBondContact O-N 3.01Å; Q332-N336 VanDerWaalsContact O-N 3.15Å; Q332-N336 PolarHBondContact O-ND2 3.29Å; F333-N336 WeakPolarHBondContact O-CB 3.32Å; F333-N336 PolarHBondContact O-N 3.38Å; L334-N336 VanDerWaalsContact C-N 3.28Å; L334-N336 PolarHBondContact O-N 2.89Å; N336-E339 PolarHBondContact O-N 2.88Å; N336-S340 WeakPolarHBondContact O-CB 3.35Å; N336-S340 PolarHBondContact O-N 3.37Å; N336-L439 HydrophobicContact CB-CD1 4.06Å; N336-A443 PolarHBondContact ND2-O 2.92Å; N336-T444 WeakPolarHBondContact ND2-CA 3.45Å; N336-I446 HydrophobicContact CB-CD1 3.54Å; N336-I446 HydrophobicContact CB-CG1 4.02Å
337A82.6Confident78.3Confident0 Ų046.7 Ų46.70%023%0.233CC..Hα-helixtrans-66.4-43.3175.900000111.4F333 L334 S340 N341 L439 A506F333-A337 WeakPolarHBondContact O-CB 3.46Å; F333-A337 PolarHBondContact O-N 3.39Å; L334-A337 PolarHBondContact O-N 3.07Å; A337-S340 PolarHBondContact O-N 3.47Å; A337-N341 WeakPolarHBondContact O-CB 3.44Å; A337-N341 PolarHBondContact O-N 3.29Å; A337-N341 PolarHBondContact O-ND2 3.35Å; A337-N341 PolarHBondContact O-OD1 3.46Å; A337-L439 HydrophobicContact CB-CD1 4.1Å; A337-L439 HydrophobicContact CB-CD2 4.06Å; A337-A506 HydrophobicContact CB-CB 4.35Å
338R84.6Confident76.4Confident115 Ų11552.4 Ų52.443%0.43426%0.263SS..Hα-helixtrans-62.4-45.9175.4-73.7173.1179.7173.61.4111.1L334 S335 N341 T342 D502L334-R338 WeakPolarHBondContact O-CB 3.49Å; L334-R338 VanDerWaalsContact O-CG 3.24Å; L334-R338 WeakPolarHBondContact O-CG 3.17Å; L334-R338 PolarHBondContact O-N 3Å; S335-R338 PolarHBondContact O-N 2.98Å; R338-N341 WeakPolarHBondContact O-CB 3.44Å; R338-N341 PolarHBondContact O-N 3.04Å; R338-T342 WeakPolarHBondContact O-CG2 3.36Å; R338-T342 PolarHBondContact O-N 3.3Å; R338-T342 PolarHBondContact O-OG1 3.03Å; R338-D502 IonicContact CZ-OD2 2.66Å; R338-D502 IonicContact NH2-OD1 3.4Å; R338-D502 IonicContact NH2-OD2 3.52Å; R338-D502 PolarHBondContact NH2-OD2 3.33Å
339E80.6Confident74.4Confident69 Ų6953.5 Ų53.532%0.32227%0.272SS..Hα-helixtrans-59.7-48.3175.9-172.5-178.6-171.600111.2S335 N336 N341 T342 R343S335-E339 WeakPolarHBondContact O-CB 3.33Å; S335-E339 PolarHBondContact O-N 3.46Å; N336-E339 PolarHBondContact O-N 2.88Å; E339-N341 VanDerWaalsContact C-N 3.27Å; E339-N341 PolarHBondContact O-N 3.26Å; E339-T342 WeakPolarHBondContact CA-OG1 3.37Å; E339-T342 PolarHBondContact O-N 2.99Å; E339-T342 VanDerWaalsContact O-N 3.13Å; E339-T342 PolarHBondContact O-OG1 3.46Å; E339-R343 WeakPolarHBondContact O-CG 3.48Å; E339-R343 PolarHBondContact O-N 2.8Å; E339-R343 IonicContact OE1-CZ 3.24Å; E339-R343 VanDerWaalsContact OE1-CZ 3.27Å; E339-R343 IonicContact OE1-NE 3.98Å; E339-R343 PolarHBondContact OE1-NE 2.97Å; E339-R343 IonicContact OE1-NH2 2.76Å; E339-R343 PolarHBondContact OE1-NH2 3.4Å; E339-R343 IonicContact OE2-NH2 2.78Å
340S73.7Confident72.2Confident10 Ų1055.5 Ų55.57%0.0729%0.286CS..Hα-helixtrans-58.7-40176.4-172.30000112.1N336 A337 G344 S435 H510N336-S340 WeakPolarHBondContact O-CB 3.35Å; N336-S340 PolarHBondContact O-N 3.37Å; A337-S340 PolarHBondContact O-N 3.47Å; S340-G344 PolarHBondContact O-N 2.99Å; S340-S435 PolarHBondContact OG-OG 3.27Å; S340-H510 PolarHBondContact OG-CE1 3.42Å
341N79.5Confident69.6Low5 Ų561.8 Ų61.83%0.02733%0.326CS..Hα-helixtrans-66.5-40.1177-69.9-17.1000111.7A337 R338 E339 G344 T345 A506 K509 H510A337-N341 WeakPolarHBondContact O-CB 3.44Å; A337-N341 PolarHBondContact O-N 3.29Å; A337-N341 PolarHBondContact O-ND2 3.35Å; A337-N341 PolarHBondContact O-OD1 3.46Å; R338-N341 WeakPolarHBondContact O-CB 3.44Å; R338-N341 PolarHBondContact O-N 3.04Å; E339-N341 VanDerWaalsContact C-N 3.27Å; E339-N341 PolarHBondContact O-N 3.26Å; N341-G344 PolarHBondContact O-N 3.23Å; N341-T345 PolarHBondContact O-N 3.4Å; N341-T345 PolarHBondContact O-OG1 3.44Å; N341-A506 PolarHBondContact ND2-O 2.99Å; N341-K509 HydrophobicContact CB-CD 4.47Å; N341-H510 WeakPolarHBondContact OD1-CA 3.35Å; N341-H510 WeakPolarHBondContact OD1-CB 3.32Å; N341-H510 PolarHBondContact OD1-ND1 2.88Å
342T78.2Confident67Low67 Ų6765.7 Ų65.741%0.41135%0.349SS..Hα-helixtrans-67.3-39.8176.957.70000112.8R338 E339 G344 T345 N346R338-T342 WeakPolarHBondContact O-CG2 3.36Å; R338-T342 PolarHBondContact O-N 3.3Å; R338-T342 PolarHBondContact O-OG1 3.03Å; E339-T342 WeakPolarHBondContact CA-OG1 3.37Å; E339-T342 PolarHBondContact O-N 2.99Å; E339-T342 VanDerWaalsContact O-N 3.13Å; E339-T342 PolarHBondContact O-OG1 3.46Å; T342-G344 VanDerWaalsContact C-N 3.31Å; T342-G344 PolarHBondContact O-N 3.25Å; T342-T345 WeakPolarHBondContact CA-OG1 3.31Å; T342-T345 PolarHBondContact O-N 2.89Å; T342-T345 PolarHBondContact O-OG1 2.87Å; T342-N346 PolarHBondContact O-N 3.14Å; T342-N346 PolarHBondContact O-ND2 2.97Å
343R70.9Confident64.4Low104 Ų10467.5 Ų67.539%0.39235%0.352SS..Hα-helixtrans-61.4-43.5173.3-69.9179.2-175.6179.8-1.7110.7E339 T345 N346 L347E339-R343 WeakPolarHBondContact O-CG 3.48Å; E339-R343 PolarHBondContact O-N 2.8Å; E339-R343 IonicContact OE1-CZ 3.24Å; E339-R343 VanDerWaalsContact OE1-CZ 3.27Å; E339-R343 IonicContact OE1-NE 3.98Å; E339-R343 PolarHBondContact OE1-NE 2.97Å; E339-R343 IonicContact OE1-NH2 2.76Å; E339-R343 PolarHBondContact OE1-NH2 3.4Å; E339-R343 IonicContact OE2-NH2 2.78Å; R343-T345 PolarHBondContact O-N 2.68Å; R343-N346 PolarHBondContact O-N 2.87Å; R343-L347 WeakPolarHBondContact O-CG 3.29Å; R343-L347 PolarHBondContact O-N 3.3Å; R343-L347 VanDerWaalsContact O-N 3.08Å
344G62.7Low61.7Low5 Ų571.6 Ų71.65%0.05238%0.379CS..Hα-helixtrans-58.1-47.1175.100000113.4S340 N341 T342 N346 L347 L348 F513S340-G344 PolarHBondContact O-N 2.99Å; N341-G344 PolarHBondContact O-N 3.23Å; T342-G344 VanDerWaalsContact C-N 3.31Å; T342-G344 PolarHBondContact O-N 3.25Å; G344-N346 VanDerWaalsContact C-N 3.33Å; G344-N346 PolarHBondContact O-N 3.25Å; G344-L347 PolarHBondContact O-N 3.39Å; G344-L348 PolarHBondContact O-N 3.43Å; G344-F513 VanDerWaalsContact O-CE2 3.26Å; G344-F513 WeakPolarHBondContact O-CE2 3.29Å; G344-F513 WeakPolarHBondContact O-CZ 3.36Å
345T63.4Low59Low54 Ų5481 Ų8133%0.33142%0.42SS..Hα-helixtrans-65.4-35.6177.949.60000112.8N341 T342 R343 L348 N349N341-T345 PolarHBondContact O-N 3.4Å; N341-T345 PolarHBondContact O-OG1 3.44Å; T342-T345 WeakPolarHBondContact CA-OG1 3.31Å; T342-T345 PolarHBondContact O-N 2.89Å; T342-T345 PolarHBondContact O-OG1 2.87Å; R343-T345 PolarHBondContact O-N 2.68Å; T345-L348 PolarHBondContact O-N 2.9Å; T345-N349 PolarHBondContact O-N 3.36Å; T345-N349 PolarHBondContact O-ND2 3.4Å
346N58.4Low56.3Low101 Ų10185.1 Ų85.154%0.5444%0.437SS..Hα-helixtrans-68.7-34.6177.9-68.6-14.5000112.1T342 R343 G344 N349 T350T342-N346 PolarHBondContact O-N 3.14Å; T342-N346 PolarHBondContact O-ND2 2.97Å; R343-N346 PolarHBondContact O-N 2.87Å; G344-N346 VanDerWaalsContact C-N 3.33Å; G344-N346 PolarHBondContact O-N 3.25Å; N346-N349 PolarHBondContact O-N 3.07Å; N346-T350 PolarHBondContact O-N 3.24Å
347L49.7Very low53.9Low81 Ų8188.7 Ų88.742%0.42446%0.455SS..Hα-helixtrans-67.7-40.2176.3-71.1169.8000112.3R343 G344 N349 T350R343-L347 WeakPolarHBondContact O-CG 3.29Å; R343-L347 PolarHBondContact O-N 3.3Å; R343-L347 VanDerWaalsContact O-N 3.08Å; G344-L347 PolarHBondContact O-N 3.39Å; L347-N349 PolarHBondContact O-N 3.3Å; L347-T350 PolarHBondContact O-N 2.85Å; L347-T350 VanDerWaalsContact O-N 3.12Å; L347-T350 PolarHBondContact O-OG1 3.45Å
348L48.7Very low51.3Low125 Ų12596.1 Ų96.165%0.65450%0.495SS*.Hα-helixtrans-65.3-23.8173.8-95.5122.3000113.7G344 T345 T350 F513G344-L348 PolarHBondContact O-N 3.43Å; T345-L348 PolarHBondContact O-N 2.9Å; L348-T350 VanDerWaalsContact C-N 3.33Å; L348-F513 HydrophobicContact CD1-CD2 4.16Å; L348-F513 HydrophobicContact CD1-CE2 3.25Å; L348-F513 HydrophobicContact CD1-CZ 3.79Å
349N43.6Very low48.9Very low132 Ų13295.8 Ų95.871%0.70650%0.497SS*.THydrogen-bonded Turntrans-84.6-4.7176-68.1-18000113.2T345 N346 L347T345-N349 PolarHBondContact O-N 3.36Å; T345-N349 PolarHBondContact O-ND2 3.4Å; N346-N349 PolarHBondContact O-N 3.07Å; L347-N349 PolarHBondContact O-N 3.3Å
350T37Very low46.8Very low63 Ų63100.3 Ų100.339%0.38752%0.516SS..SBendtrans-84.9132.5174.859.40000111.5N346 L347 L348 L352N346-T350 PolarHBondContact O-N 3.24Å; L347-T350 PolarHBondContact O-N 2.85Å; L347-T350 VanDerWaalsContact O-N 3.12Å; L347-T350 PolarHBondContact O-OG1 3.45Å; L348-T350 VanDerWaalsContact C-N 3.33Å; T350-L352 PolarHBondContact O-N 3.43Å
351P34.5Very low45.3Very low131 Ų131103.5 Ų103.585%0.85153%0.527SS*.THydrogen-bonded Turntrans-69.60.6-173.427-34.5000114.9
352L34.2Very low43.3Very low160 Ų160108.2 Ų108.284%0.83855%0.547SS*.THydrogen-bonded Turntrans-104.7-5-173.5-95.8142.6000114.4T350T350-L352 PolarHBondContact O-N 3.43Å
353W29.5Very low41.3Very low115 Ų115110 Ų11044%0.43655%0.551SS.*SBendtrans-82135.3174.2-9566.1000111.1K355 I357W353-K355 PolarHBondContact O-N 2.84Å; W353-I357 HydrophobicContact CE3-CD1 3.83Å; W353-I357 HydrophobicContact CZ3-CD1 3.52Å
354P28.4Very low39.9Very low87 Ų87109.4 Ų109.457%0.56555%0.549SS*.  trans-61.5112.8175.524.9-30.3000108.5N356 I357P354-N356 PolarHBondContact O-N 3.29Å; P354-I357 HydrophobicContact CG-CG1 4.27Å
355K32.3Very low38.9Very low202 Ų202112.3 Ų112.388%0.87856%0.563SS**SBendtrans-60.7-4.2177.1-73.3-178.7175.9177.70113.9W353W353-K355 PolarHBondContact O-N 2.84Å
356N28.1Very low37.7Very low149 Ų149114.1 Ų114.180%0.79758%0.576SS**  trans-123.474.6177.1-72-23.8000110.2P354 D358P354-N356 PolarHBondContact O-N 3.29Å; N356-D358 PolarHBondContact O-N 3.39Å
357I30.2Very low36.7Very low87 Ų87113.9 Ų113.945%0.44658%0.582SS.*  trans-89.295.7154.1-59.8177.5000105.6W353 P354 F359W353-I357 HydrophobicContact CE3-CD1 3.83Å; W353-I357 HydrophobicContact CZ3-CD1 3.52Å; P354-I357 HydrophobicContact CG-CG1 4.27Å; I357-F359 HydrophobicContact CG2-CD2 4.48Å; I357-F359 HydrophobicContact CG2-CE2 4.34Å; I357-F359 VanDerWaalsContact O-CD2 3.27Å; I357-F359 WeakPolarHBondContact O-CD2 3.39Å; I357-F359 PolarHBondContact O-N 2.85Å
358D29.6Very low36.5Very low157 Ų157114.4 Ų114.484%0.8459%0.592SS**  trans-63.7104.3173.6-130.5-6.6000108N356 K360N356-D358 PolarHBondContact O-N 3.39Å; D358-K360 VanDerWaalsContact C-N 3.33Å; D358-K360 PolarHBondContact O-N 3.23Å
359F34Very low35.9Very low107 Ų107113.8 Ų113.847%0.46958%0.584SS.*  trans-7188.8-178.7-85.5-94.1000109.7I357 Y361 V514I357-F359 HydrophobicContact CG2-CD2 4.48Å; I357-F359 HydrophobicContact CG2-CE2 4.34Å; I357-F359 VanDerWaalsContact O-CD2 3.27Å; I357-F359 WeakPolarHBondContact O-CD2 3.39Å; I357-F359 PolarHBondContact O-N 2.85Å; F359-Y361 HydrophobicContact CB-CD2 4.41Å; F359-Y361 AromaticContact CD1-CD2 3.96Å; F359-Y361 HydrophobicContact CD1-CD2 3.96Å; F359-Y361 HydrophobicContact CD1-CE2 4.29Å; F359-Y361 PolarHBondContact O-N 2.69Å; F359-V514 WeakPolarHBondContact CE1-O 3.35Å
360K36.5Very low35.5Very low165 Ų165110.6 Ų110.672%0.71757%0.566SS**THydrogen-bonded Turntrans-76.947.7-175.2-155.5179.1-173.5177.40113.4D358D358-K360 VanDerWaalsContact C-N 3.33Å; D358-K360 PolarHBondContact O-N 3.23Å
361Y41.9Very low35.6Very low76 Ų76111.2 Ų111.230%0.29857%0.572SS.*THydrogen-bonded Turntrans-130.410.1-166.9-59.3-60000115.5F359 Q363 Y364 Y433 Y569F359-Y361 HydrophobicContact CB-CD2 4.41Å; F359-Y361 AromaticContact CD1-CD2 3.96Å; F359-Y361 HydrophobicContact CD1-CD2 3.96Å; F359-Y361 HydrophobicContact CD1-CE2 4.29Å; F359-Y361 PolarHBondContact O-N 2.69Å; Y361-Q363 PolarHBondContact O-N 2.79Å; Y361-Y364 HydrophobicContact CD1-CD2 4.3Å; Y361-Y364 HydrophobicContact CD1-CE2 4.06Å; Y361-Y433 VanDerWaalsContact CD2-OH 3.24Å; Y361-Y433 WeakPolarHBondContact CD2-OH 3.1Å; Y361-Y433 AromaticContact CE2-CE2 3.83Å; Y361-Y433 HydrophobicContact CE2-CE2 3.83Å; Y361-Y433 AromaticContact CE2-CZ 3.81Å; Y361-Y433 WeakPolarHBondContact CE2-OH 3.34Å; Y361-Y433 AromaticContact CZ-CE2 3.79Å; Y361-Y569 WeakPolarHBondContact CB-OH 3.38Å; Y361-Y569 AromaticContact CD1-CD2 3.79Å; Y361-Y569 HydrophobicContact CD1-CD2 3.79Å; Y361-Y569 HydrophobicContact CD1-CE1 4.34Å; Y361-Y569 AromaticContact CD1-CE2 2.84Å; Y361-Y569 HydrophobicContact CD1-CE2 2.84Å; Y361-Y569 AromaticContact CD1-CZ 3.18Å; Y361-Y569 WeakPolarHBondContact CD1-OH 3.3Å; Y361-Y569 HydrophobicContact CD2-CE2 4.29Å; Y361-Y569 AromaticContact CD2-CZ 3.76Å; Y361-Y569 WeakPolarHBondContact CD2-OH 2.93Å; Y361-Y569 AromaticContact CE1-CD2 3.72Å; Y361-Y569 HydrophobicContact CE1-CD2 3.72Å; Y361-Y569 HydrophobicContact CE1-CE1 4.15Å; Y361-Y569 AromaticContact CE1-CE2 3.14Å; Y361-Y569 HydrophobicContact CE1-CE2 3.14Å; Y361-Y569 HydrophobicContact CE1-CG 4.48Å; Y361-Y569 AromaticContact CE1-CZ 3.36Å; Y361-Y569 AromaticContact CE2-CZ 3.98Å; Y361-Y569 AromaticContact CG-CE2 3.44Å; Y361-Y569 HydrophobicContact CG-CE2 3.44Å; Y361-Y569 VanDerWaalsContact CG-CE2 3.44Å; Y361-Y569 AromaticContact CG-CZ 3.31Å; Y361-Y569 AromaticContact CZ-CZ 3.75Å
362K36.6Very low35.7Very low105 Ų105110.4 Ų110.446%0.45756%0.561SS.*THydrogen-bonded Turntrans-61.3-8.3173.2-151.8174.2-174.3178.50114.5L365 N377K362-L365 WeakPolarHBondContact O-CD1 2.92Å; K362-N377 PolarHBondContact NZ-ND2 2.84Å; K362-N377 PolarHBondContact NZ-OD1 3.38Å
363Q37.9Very low35.7Very low104 Ų104104.4 Ų104.449%0.48653%0.529SS..THydrogen-bonded Turntrans-104.34-168.2-52.51791.700113.9Y361Y361-Q363 PolarHBondContact O-N 2.79Å
364Y40.7Very low35.9Very low92 Ų92108.6 Ų108.636%0.36155%0.545SS..  trans-118.19.7-173.9-58-90000112.6Y361 K566 Y569Y361-Y364 HydrophobicContact CD1-CD2 4.3Å; Y361-Y364 HydrophobicContact CD1-CE2 4.06Å; Y364-K566 HydrophobicContact CD1-CB 4.26Å; Y364-K566 HydrophobicContact CD1-CD 4.17Å; Y364-K566 HydrophobicContact CD1-CG 4.3Å; Y364-K566 HydrophobicContact CE1-CB 3.45Å; Y364-K566 VanDerWaalsContact CE1-CB 3.45Å; Y364-K566 HydrophobicContact CE1-CD 3.71Å; Y364-K566 HydrophobicContact CE1-CG 3.4Å; Y364-Y569 HydrophobicContact CD2-CD2 4.4Å; Y364-Y569 HydrophobicContact CD2-CE2 4.03Å; Y364-Y569 HydrophobicContact CE2-CE2 4.37Å; Y364-Y569 HydrophobicContact CG-CD2 4.48Å; Y364-Y569 HydrophobicContact CG-CE2 4.38Å
365L41.6Very low36.5Very low65 Ų65112.1 Ų112.134%0.3455%0.554SS.*SBendtrans-71.8146.7170.7-72.9117.8000109.3K362 S367 F369 L373K362-L365 WeakPolarHBondContact O-CD1 2.92Å; L365-S367 PolarHBondContact O-N 3.06Å; L365-F369 HydrophobicContact CB-CB 4.1Å; L365-F369 HydrophobicContact CB-CD1 4.24Å; L365-F369 HydrophobicContact CB-CG 4.49Å; L365-F369 HydrophobicContact CD1-CD1 4.45Å; L365-F369 HydrophobicContact CD2-CB 4.41Å; L365-F369 HydrophobicContact CD2-CD1 3.41Å; L365-F369 VanDerWaalsContact CD2-CD1 3.41Å; L365-F369 HydrophobicContact CD2-CE1 3.7Å; L365-F369 HydrophobicContact CD2-CG 3.93Å; L365-F369 HydrophobicContact CD2-CZ 4.45Å; L365-F369 HydrophobicContact CG-CD1 4.21Å; L365-L373 HydrophobicContact CD1-CD1 4.38Å
366P38.7Very low36.5Very low92 Ų92112.7 Ų112.760%0.59755%0.551SS**  trans-45.9138169.9-25.333000110.5S368 F369P366-S368 PolarHBondContact O-N 3.39Å; P366-F369 WeakPolarHBondContact O-CB 3.32Å; P366-F369 PolarHBondContact O-N 2.81Å
367S37.7Very low36.9Very low97 Ų97110.3 Ų110.368%0.67854%0.538SS*.Hα-helixtrans-56.8-19.4-175.549.20000114.1L365 F369 E370L365-S367 PolarHBondContact O-N 3.06Å; S367-F369 PolarHBondContact O-N 2.97Å; S367-E370 PolarHBondContact O-N 2.9Å
368S43.7Very low37.2Very low91 Ų91111.7 Ų111.764%0.63656%0.555SS**Hα-helixtrans-64.2-20169.855.80000114.3P366P366-S368 PolarHBondContact O-N 3.39Å
369F36.1Very low37.1Very low112 Ų112108.2 Ų108.249%0.49155%0.548SS..Hα-helixtrans-101.5-23.1-178.3-154.6-91.9000112.4L365 P366 S367 L373L365-F369 HydrophobicContact CB-CB 4.1Å; L365-F369 HydrophobicContact CB-CD1 4.24Å; L365-F369 HydrophobicContact CB-CG 4.49Å; L365-F369 HydrophobicContact CD1-CD1 4.45Å; L365-F369 HydrophobicContact CD2-CB 4.41Å; L365-F369 HydrophobicContact CD2-CD1 3.41Å; L365-F369 VanDerWaalsContact CD2-CD1 3.41Å; L365-F369 HydrophobicContact CD2-CE1 3.7Å; L365-F369 HydrophobicContact CD2-CG 3.93Å; L365-F369 HydrophobicContact CD2-CZ 4.45Å; L365-F369 HydrophobicContact CG-CD1 4.21Å; P366-F369 WeakPolarHBondContact O-CB 3.32Å; P366-F369 PolarHBondContact O-N 2.81Å; S367-F369 PolarHBondContact O-N 2.97Å; F369-L373 HydrophobicContact CD1-CD1 3.61Å; F369-L373 HydrophobicContact CD1-CG 4.26Å; F369-L373 HydrophobicContact CE1-CD1 3.82Å; F369-L373 HydrophobicContact CE1-CG 4.32Å
370E36.4Very low36.8Very low66 Ų66113.3 Ų113.331%0.30857%0.57SS.*Hα-helixtrans-76.9-31.4-175.6-151.4179.5-17300112.8S367 N372 L373 R374S367-E370 PolarHBondContact O-N 2.9Å; E370-N372 VanDerWaalsContact C-N 3.3Å; E370-N372 PolarHBondContact O-N 3.12Å; E370-L373 PolarHBondContact O-N 3.31Å; E370-R374 PolarHBondContact O-N 3.27Å
371S38.4Very low36.3Very low76 Ų76112.9 Ų112.953%0.53158%0.575SS.*Hα-helixtrans-62.6-35.3175.155.90000112.7
372N36.8Very low35.6Very low113 Ų113116.7 Ų116.760%0.60460%0.6SS**Hα-helixtrans-80.2-20.8178.7-71.9-45000113.4E370E370-N372 VanDerWaalsContact C-N 3.3Å; E370-N372 PolarHBondContact O-N 3.12Å
373L33.7Very low35.2Very low34 Ų34117.1 Ų117.118%0.17862%0.616CS.*Hα-helixtrans-87.2-25.1-179.6-82.5169.8000113.7L365 F369 E370 Q375 N377L365-L373 HydrophobicContact CD1-CD1 4.38Å; F369-L373 HydrophobicContact CD1-CD1 3.61Å; F369-L373 HydrophobicContact CD1-CG 4.26Å; F369-L373 HydrophobicContact CE1-CD1 3.82Å; F369-L373 HydrophobicContact CE1-CG 4.32Å; E370-L373 PolarHBondContact O-N 3.31Å; L373-Q375 VanDerWaalsContact C-N 3.28Å; L373-Q375 PolarHBondContact O-N 3.33Å; L373-N377 PolarHBondContact O-ND2 3.49Å
374R34.6Very low34.8Very low204 Ų204116.2 Ų116.277%0.7763%0.626SS**THydrogen-bonded Turntrans-69.6-23.5177.9-86-175.5176.9167.72.8113.5E370 R376E370-R374 PolarHBondContact O-N 3.27Å; R374-R376 VanDerWaalsContact C-N 3.33Å; R374-R376 PolarHBondContact O-N 3.49Å
375Q40.6Very low34.1Very low160 Ų160117.9 Ų117.975%0.74865%0.646SS**THydrogen-bonded Turntrans-80.4-9.8-176.3-149.6172.78.600114.2L373L373-Q375 VanDerWaalsContact C-N 3.28Å; L373-Q375 PolarHBondContact O-N 3.33Å
376R32.5Very low33.5Very low215 Ų215120.9 Ų120.981%0.81166%0.663SS**SBendtrans-122.3-6.3-166.6-104.7178170147.7-3.3117.1R374R374-R376 VanDerWaalsContact C-N 3.33Å; R374-R376 PolarHBondContact O-N 3.49Å
377N36Very low33Very low99 Ų99124.5 Ų124.553%0.52967%0.672SS.*  trans-95.210.7-175.4-61.5-47.2000114.7K362 L373 A379K362-N377 PolarHBondContact NZ-ND2 2.84Å; K362-N377 PolarHBondContact NZ-OD1 3.38Å; L373-N377 PolarHBondContact O-ND2 3.49Å; N377-A379 VanDerWaalsContact C-N 3.34Å; N377-A379 PolarHBondContact O-N 3.03Å
378S36.2Very low32.5Very low116 Ų116126.8 Ų126.881%0.81168%0.676SS**SBendtrans-87.310.7-178.441.90000114.6
379A28.4Very low31.7Very low84 Ų84128 Ų12869%0.69468%0.679SS**SBendtrans-131.5125-178.200000112.8N377N377-A379 VanDerWaalsContact C-N 3.34Å; N377-A379 PolarHBondContact O-N 3.03Å
380K28.9Very low31.4Very low213 Ų213127 Ų12793%0.92669%0.686SS**  trans8873166.7-72.9179.9171.2178.70118.5
381L25.3Very low30.9Very low157 Ų157130.5 Ų130.582%0.82271%0.707SS**  trans-63.1149.3137.2-146.884.8000111.1
382L27.8Very low30.3Very low156 Ų156134.5 Ų134.582%0.81772%0.72SS**  trans118.7139.7149.3-67.4159.5000119.7
383S28.1Very low30.1Very low114 Ų114137.1 Ų137.180%0.79773%0.728SS**  trans78.8101.9169.470.10000116.4
384A27.8Very low30.5Very low85 Ų85139.9 Ų139.970%0.70275%0.748SS**  cis94.8116.837.600000115.2
385T27.7Very low30.3Very low127 Ų127136 Ų13678%0.77975%0.753SS**  trans60.2153.6137.941.40000120.1
386N27.9Very low29.9Very low128 Ų128131.4 Ų131.468%0.68475%0.747SS**  cis-156.8167.55.3-111.6-9.5000104.2
387E27.9Very low30.4Very low168 Ų168125.8 Ų125.879%0.78574%0.741SS**  17012470.3-135.9156.8-133.900109.3
388N27.2Very low30.6Very low145 Ų145126.5 Ų126.578%0.77574%0.744SS**  19.6155.8123.4-69.9-3.6000121.1
389V28.2Very low30.8Very low116 Ų116128.5 Ų128.570%0.70374%0.744SS**  cis-175.9148.36.8135.40000110.6
390S28.8Very low31.3Very low91 Ų91129.4 Ų129.464%0.63675%0.751SS**  trans35.4163.9145.687.50000129
391D25.8Very low32Very low140 Ų140125.1 Ų125.175%0.74973%0.729SS**  trans107.5140.9150.8-72.46.4000118
392M27.1Very low33Very low160 Ų160124.2 Ų124.279%0.78873%0.725SS**  cis-169.6140-14.9-170.8159.8175.200108.5
393Q30.9Very low33.6Very low167 Ų167124.2 Ų124.278%0.7873%0.725SS**  trans3.3-179.8147.1-96.9-150.2-46.700123.4
394P43Very low34.7Very low92 Ų92124.6 Ų124.660%0.59772%0.717SS**  -147.3-163.4-50.742.4-21.7000113.6
395S30.5Very low35.5Very low124 Ų124123 Ų12387%0.86770%0.697SS**  trans121.4138.6138.977.90000116.9
396G32.1Very low36.2Very low62 Ų62119.4 Ų119.464%0.63968%0.68SS**  trans165.4105.9175.400000114.1
397S42.9Very low37Very low98 Ų98115.3 Ų115.369%0.68567%0.668SS**  trans-18.5134.7176.459.20000119.2R401S397-R401 PolarHBondContact O-NH2 2.91Å
398I39.2Very low37.9Very low114 Ų114115.6 Ų115.659%0.58566%0.662SS**  59.6100.462.3-45.8161.5000107.5R401I398-R401 VanDerWaalsContact N-CZ 3.3Å
399I40.6Very low38.9Very low158 Ų158111.4 Ų111.481%0.8164%0.641SS**SBend-165.8-10.5103.7-84.2149000113.6R401I399-R401 VanDerWaalsContact C-N 3.26Å; I399-R401 PolarHBondContact O-N 3.43Å
400A39.2Very low39.9Very low103 Ų103111.5 Ų111.585%0.85164%0.638SS**SBendtrans-86.616.5-178.800000115.1
401R43.9Very low40.9Very low123 Ų123113.4 Ų113.446%0.46464%0.64SS.*  trans-97.410.4-156.5-83.4-168-156136.912.1117.1S397 I398 I399 N405S397-R401 PolarHBondContact O-NH2 2.91Å; I398-R401 VanDerWaalsContact N-CZ 3.3Å; I399-R401 VanDerWaalsContact C-N 3.26Å; I399-R401 PolarHBondContact O-N 3.43Å; R401-N405 VanDerWaalsContact C-ND2 3.35Å; R401-N405 WeakPolarHBondContact CA-ND2 3.39Å; R401-N405 WeakPolarHBondContact CB-ND2 3.45Å; R401-N405 VanDerWaalsContact CG-ND2 3.29Å; R401-N405 WeakPolarHBondContact CG-ND2 3.17Å; R401-N405 WeakPolarHBondContact O-CB 3.39Å; R401-N405 VanDerWaalsContact O-CG 3.24Å; R401-N405 PolarHBondContact O-ND2 3.5Å
402N45.6Very low42.4Very low138 Ų138109.2 Ų109.274%0.73862%0.621SS**SBendtrans-109.3-15.9-165.6-69.7-9.2000116.9
403L40.2Very low43.4Very low156 Ų156107.8 Ų107.882%0.81761%0.611SS**SBendtrans-112.4-47.1178.6-110.788.9000114.7N405 A406L403-N405 PolarHBondContact O-N 3.27Å; L403-A406 PolarHBondContact O-N 3.25Å; L403-A406 VanDerWaalsContact O-N 3.07Å
404I51.2Low44.4Very low122 Ų122103.7 Ų103.763%0.62660%0.597SS**Hα-helixtrans-68.7-26.7175.5-67169.4000110.9R408I404-R408 WeakPolarHBondContact O-CB 3.22Å; I404-R408 PolarHBondContact O-N 2.88Å
405N46.4Very low44.8Very low50 Ų50106.1 Ų106.127%0.26760%0.595SS.*Hα-helixtrans-77-14.5172.6-68.3-15.9000113.2R401 L403 T409R401-N405 VanDerWaalsContact C-ND2 3.35Å; R401-N405 WeakPolarHBondContact CA-ND2 3.39Å; R401-N405 WeakPolarHBondContact CB-ND2 3.45Å; R401-N405 VanDerWaalsContact CG-ND2 3.29Å; R401-N405 WeakPolarHBondContact CG-ND2 3.17Å; R401-N405 WeakPolarHBondContact O-CB 3.39Å; R401-N405 VanDerWaalsContact O-CG 3.24Å; R401-N405 PolarHBondContact O-ND2 3.5Å; L403-N405 PolarHBondContact O-N 3.27Å; N405-T409 HydrophobicContact CB-CG2 4.42Å; N405-T409 VanDerWaalsContact O-CA 3.29Å; N405-T409 WeakPolarHBondContact O-CA 3.16Å; N405-T409 WeakPolarHBondContact O-CB 3.37Å; N405-T409 WeakPolarHBondContact O-CG2 3.27Å; N405-T409 PolarHBondContact O-N 3.36Å; N405-T409 PolarHBondContact O-OG1 2.98Å
406A42.4Very low45.7Very low52 Ų52103.3 Ų103.343%0.4357%0.573SS.*Hα-helixtrans-71.1-44173.200000110.6L403 T409 L410L403-A406 PolarHBondContact O-N 3.25Å; L403-A406 VanDerWaalsContact O-N 3.07Å; A406-T409 WeakPolarHBondContact CA-OG1 3.26Å; A406-T409 PolarHBondContact O-N 3.34Å; A406-T409 PolarHBondContact O-OG1 2.89Å; A406-L410 WeakPolarHBondContact O-CB 3.17Å; A406-L410 PolarHBondContact O-N 3.2Å
407G44.3Very low46.3Very low42 Ų42110 Ų11043%0.43358%0.579SS.*Hα-helixtrans-68.6-43.7172.900000112.8L410 L411G407-L410 PolarHBondContact O-N 2.81Å; G407-L411 WeakPolarHBondContact O-CB 3.22Å; G407-L411 PolarHBondContact O-N 3.35Å
408R47Very low46.3Very low175 Ų175109.3 Ų109.366%0.6657%0.567SS**Hα-helixtrans-70-25.7172-95.4-176.3-173.31512.1113.8I404 S412I404-R408 WeakPolarHBondContact O-CB 3.22Å; I404-R408 PolarHBondContact O-N 2.88Å; R408-S412 VanDerWaalsContact O-CA 3.3Å; R408-S412 WeakPolarHBondContact O-CA 3.39Å; R408-S412 WeakPolarHBondContact O-CB 3.18Å; R408-S412 PolarHBondContact O-N 3.1Å; R408-S412 PolarHBondContact O-OG 2.84Å
409T47.2Very low46.9Very low56 Ų56106.3 Ų106.334%0.34456%0.556SS.*Hα-helixtrans-83.8-24.2173.756.20000111.8N405 A406 S412 K413N405-T409 HydrophobicContact CB-CG2 4.42Å; N405-T409 VanDerWaalsContact O-CA 3.29Å; N405-T409 WeakPolarHBondContact O-CA 3.16Å; N405-T409 WeakPolarHBondContact O-CB 3.37Å; N405-T409 WeakPolarHBondContact O-CG2 3.27Å; N405-T409 PolarHBondContact O-N 3.36Å; N405-T409 PolarHBondContact O-OG1 2.98Å; A406-T409 WeakPolarHBondContact CA-OG1 3.26Å; A406-T409 PolarHBondContact O-N 3.34Å; A406-T409 PolarHBondContact O-OG1 2.89Å; T409-S412 WeakPolarHBondContact CA-OG 3.24Å; T409-K413 WeakPolarHBondContact O-CA 3.35Å; T409-K413 WeakPolarHBondContact O-CB 3.27Å; T409-K413 WeakPolarHBondContact O-CD 2.95Å; T409-K413 WeakPolarHBondContact O-CG 3.4Å; T409-K413 PolarHBondContact O-N 3.07Å
410L50.5Low47.2Very low119 Ų119109.3 Ų109.362%0.62356%0.557SS**Hα-helixtrans-72.6-47.8166-103.8157.1000110.6A406 G407 S412 K413 V414A406-L410 WeakPolarHBondContact O-CB 3.17Å; A406-L410 PolarHBondContact O-N 3.2Å; G407-L410 PolarHBondContact O-N 2.81Å; L410-S412 PolarHBondContact O-N 3.03Å; L410-K413 PolarHBondContact O-N 3.37Å; L410-V414 VanDerWaalsContact O-CB 3.26Å; L410-V414 WeakPolarHBondContact O-CB 3.24Å; L410-V414 WeakPolarHBondContact O-CG2 3.3Å; L410-V414 PolarHBondContact O-N 2.99Å
411L49.7Very low47.7Very low131 Ų131107.1 Ų107.169%0.68653%0.533SS*.Hα-helixtrans-65.6-35.7173.8-91.1151.4000112.4G407 Y415G407-L411 WeakPolarHBondContact O-CB 3.22Å; G407-L411 PolarHBondContact O-N 3.35Å; L411-Y415 WeakPolarHBondContact O-CA 3.16Å; L411-Y415 WeakPolarHBondContact O-CB 3.12Å; L411-Y415 PolarHBondContact O-N 3.45Å
412S56.3Low48.1Very low51 Ų51108.7 Ų108.736%0.35755%0.546SS..Hα-helixtrans-81.7-25.6174.481.70000112.5R408 T409 L410 T416R408-S412 VanDerWaalsContact O-CA 3.3Å; R408-S412 WeakPolarHBondContact O-CA 3.39Å; R408-S412 WeakPolarHBondContact O-CB 3.18Å; R408-S412 PolarHBondContact O-N 3.1Å; R408-S412 PolarHBondContact O-OG 2.84Å; T409-S412 WeakPolarHBondContact CA-OG 3.24Å; L410-S412 PolarHBondContact O-N 3.03Å; S412-T416 WeakPolarHBondContact O-CA 3.23Å; S412-T416 WeakPolarHBondContact O-CB 3.46Å; S412-T416 WeakPolarHBondContact O-CG2 3.41Å; S412-T416 PolarHBondContact O-N 3.04Å; S412-T416 PolarHBondContact O-OG1 3.49Å
413K47.7Very low48.3Very low130 Ų130107.6 Ų107.657%0.56554%0.539SS*.Hα-helixtrans-76.5-34.9170.2-77.8169179.9176.20111.3T409 L410 T416 R417T409-K413 WeakPolarHBondContact O-CA 3.35Å; T409-K413 WeakPolarHBondContact O-CB 3.27Å; T409-K413 WeakPolarHBondContact O-CD 2.95Å; T409-K413 WeakPolarHBondContact O-CG 3.4Å; T409-K413 PolarHBondContact O-N 3.07Å; L410-K413 PolarHBondContact O-N 3.37Å; K413-T416 WeakPolarHBondContact CA-OG1 3.43Å; K413-R417 WeakPolarHBondContact O-CA 3.42Å; K413-R417 WeakPolarHBondContact O-CB 3.1Å; K413-R417 VanDerWaalsContact O-CG 3.25Å; K413-R417 WeakPolarHBondContact O-CG 3.08Å; K413-R417 PolarHBondContact O-N 3.12Å
414V52.1Low48.9Very low82 Ų82103.5 Ų103.550%0.49752%0.515SS..Hα-helixtrans-70-50.9169.9173.10000108.5L410 T416 R417 L418L410-V414 VanDerWaalsContact O-CB 3.26Å; L410-V414 WeakPolarHBondContact O-CB 3.24Å; L410-V414 WeakPolarHBondContact O-CG2 3.3Å; L410-V414 PolarHBondContact O-N 2.99Å; V414-T416 VanDerWaalsContact C-N 3.34Å; V414-T416 PolarHBondContact O-N 2.93Å; V414-R417 PolarHBondContact O-N 2.55Å; V414-L418 WeakPolarHBondContact O-CA 3.27Å; V414-L418 WeakPolarHBondContact O-CB 3.01Å; V414-L418 PolarHBondContact O-N 2.89Å
415Y51.6Low49.1Very low142 Ų142100.9 Ų100.956%0.55751%0.508SS*.Hα-helixtrans-61.5-37.7175.8-177.2-96.7000112.3L411 S419 F424L411-Y415 WeakPolarHBondContact O-CA 3.16Å; L411-Y415 WeakPolarHBondContact O-CB 3.12Å; L411-Y415 PolarHBondContact O-N 3.45Å; Y415-S419 WeakPolarHBondContact O-CA 3.48Å; Y415-S419 WeakPolarHBondContact O-CB 3.2Å; Y415-S419 PolarHBondContact O-N 3.39Å; Y415-S419 PolarHBondContact O-OG 3.36Å; Y415-F424 HydrophobicContact CE2-CE1 4.1Å; Y415-F424 HydrophobicContact CE2-CZ 4.41Å
416T49.1Very low49.6Very low65 Ų65102.7 Ų102.740%0.39952%0.517SS..Hα-helixtrans-80.1-27.7176.4590000113.2S412 K413 V414 S419 R420S412-T416 WeakPolarHBondContact O-CA 3.23Å; S412-T416 WeakPolarHBondContact O-CB 3.46Å; S412-T416 WeakPolarHBondContact O-CG2 3.41Å; S412-T416 PolarHBondContact O-N 3.04Å; S412-T416 PolarHBondContact O-OG1 3.49Å; K413-T416 WeakPolarHBondContact CA-OG1 3.43Å; V414-T416 VanDerWaalsContact C-N 3.34Å; V414-T416 PolarHBondContact O-N 2.93Å; T416-S419 WeakPolarHBondContact CA-OG 3.38Å; T416-S419 PolarHBondContact O-OG 3.3Å; T416-R420 WeakPolarHBondContact O-CB 3.32Å; T416-R420 WeakPolarHBondContact O-CG 3.18Å; T416-R420 PolarHBondContact O-N 3.28Å
417R45.7Very low50Low203 Ų203102.9 Ų102.977%0.76651%0.51SS*.Hα-helixtrans-73.8-41.5169.1-83.2-166169.2-164.2-1.1111.1K413 V414 R420 T421K413-R417 WeakPolarHBondContact O-CA 3.42Å; K413-R417 WeakPolarHBondContact O-CB 3.1Å; K413-R417 VanDerWaalsContact O-CG 3.25Å; K413-R417 WeakPolarHBondContact O-CG 3.08Å; K413-R417 PolarHBondContact O-N 3.12Å; V414-R417 PolarHBondContact O-N 2.55Å; R417-R420 CarbonylContact O-C 3.55Å; R417-R420 PolarHBondContact O-N 2.83Å; R417-T421 WeakPolarHBondContact O-CG2 2.93Å; R417-T421 PolarHBondContact O-N 3.09Å
418L43.4Very low50.6Low84 Ų84104 Ų10444%0.4451%0.511SS..Hα-helixtrans-71.4-40.3177.3-145.777.2000109.6V414 R420 T421 F424V414-L418 WeakPolarHBondContact O-CA 3.27Å; V414-L418 WeakPolarHBondContact O-CB 3.01Å; V414-L418 PolarHBondContact O-N 2.89Å; L418-R420 VanDerWaalsContact C-N 3.29Å; L418-R420 PolarHBondContact O-N 2.65Å; L418-T421 WeakPolarHBondContact O-CB 3.2Å; L418-T421 PolarHBondContact O-N 3.15Å; L418-T421 PolarHBondContact O-OG1 3.45Å; L418-F424 HydrophobicContact CB-CD2 4.31Å; L418-F424 HydrophobicContact CD2-CD2 3.72Å; L418-F424 HydrophobicContact CD2-CE2 3.56Å; L418-F424 HydrophobicContact CG-CD2 3.9Å; L418-F424 HydrophobicContact CG-CE2 4.27Å; L418-F424 WeakPolarHBondContact O-CB 3.22Å
419S50.8Low50.9Low50 Ų5098 Ų9835%0.3550%0.496SS..Hα-helixtrans-72-20.4172.481.50000113.4Y415 T416Y415-S419 WeakPolarHBondContact O-CA 3.48Å; Y415-S419 WeakPolarHBondContact O-CB 3.2Å; Y415-S419 PolarHBondContact O-N 3.39Å; Y415-S419 PolarHBondContact O-OG 3.36Å; T416-S419 WeakPolarHBondContact CA-OG 3.38Å; T416-S419 PolarHBondContact O-OG 3.3Å
420R46.8Very low51.3Low222 Ų222101.7 Ų101.784%0.83851%0.51SS*.Hα-helixtrans-81.3-16165.6-85.9179.3174.8179.8-0.6113.2T416 R417 L418T416-R420 WeakPolarHBondContact O-CB 3.32Å; T416-R420 WeakPolarHBondContact O-CG 3.18Å; T416-R420 PolarHBondContact O-N 3.28Å; R417-R420 CarbonylContact O-C 3.55Å; R417-R420 PolarHBondContact O-N 2.83Å; L418-R420 VanDerWaalsContact C-N 3.29Å; L418-R420 PolarHBondContact O-N 2.65Å
421T49.5Very low51.6Low56 Ų5697.2 Ų97.234%0.34449%0.486SS..SBendtrans-74.9130.7166.464.70000108.3R417 L418 L423 F424R417-T421 WeakPolarHBondContact O-CG2 2.93Å; R417-T421 PolarHBondContact O-N 3.09Å; L418-T421 WeakPolarHBondContact O-CB 3.2Å; L418-T421 PolarHBondContact O-N 3.15Å; L418-T421 PolarHBondContact O-OG1 3.45Å; T421-L423 PolarHBondContact O-N 2.86Å; T421-F424 PolarHBondContact O-N 2.95Å
422Q52.3Low51.7Low156 Ų15695.2 Ų95.273%0.72948%0.481SS*.Hα-helixtrans-49.5-21.7174.3-70178.5-30.700112.4F424 S425 I426Q422-F424 PolarHBondContact O-N 3.44Å; Q422-S425 PolarHBondContact O-OG 3.41Å; Q422-I426 HydrophobicContact CB-CD1 4.25Å; Q422-I426 VanDerWaalsContact O-CB 3.31Å; Q422-I426 WeakPolarHBondContact O-CB 3.45Å; Q422-I426 WeakPolarHBondContact O-CD1 3.44Å; Q422-I426 WeakPolarHBondContact O-CG1 3.16Å; Q422-I426 PolarHBondContact O-N 3.14Å
423L50.9Low51.9Low115 Ų11594.4 Ų94.460%0.60247%0.47SS*.Hα-helixtrans-60.1-39.9175.9-70.2171.9000114.2T421 I426 L427T421-L423 PolarHBondContact O-N 2.86Å; L423-I426 PolarHBondContact O-N 3.46Å; L423-L427 VanDerWaalsContact O-CB 3.24Å; L423-L427 WeakPolarHBondContact O-CB 3.43Å; L423-L427 WeakPolarHBondContact O-CD1 3.5Å; L423-L427 VanDerWaalsContact O-CG 3.24Å; L423-L427 WeakPolarHBondContact O-CG 3.31Å; L423-L427 PolarHBondContact O-N 3.02Å
424F52.7Low52.5Low70 Ų7088.6 Ų88.631%0.30745%0.446SS..Hα-helixtrans-76.1-37.6-177-134.4-90.4000111.8Y415 L418 T421 Q422 I426 L427 S428Y415-F424 HydrophobicContact CE2-CE1 4.1Å; Y415-F424 HydrophobicContact CE2-CZ 4.41Å; L418-F424 HydrophobicContact CB-CD2 4.31Å; L418-F424 HydrophobicContact CD2-CD2 3.72Å; L418-F424 HydrophobicContact CD2-CE2 3.56Å; L418-F424 HydrophobicContact CG-CD2 3.9Å; L418-F424 HydrophobicContact CG-CE2 4.27Å; L418-F424 WeakPolarHBondContact O-CB 3.22Å; T421-F424 PolarHBondContact O-N 2.95Å; Q422-F424 PolarHBondContact O-N 3.44Å; F424-I426 VanDerWaalsContact C-N 3.29Å; F424-I426 PolarHBondContact O-N 3.15Å; F424-L427 PolarHBondContact O-N 3.31Å; F424-S428 VanDerWaalsContact O-CB 3.28Å; F424-S428 WeakPolarHBondContact O-CB 3.38Å; F424-S428 PolarHBondContact O-N 3.34Å; F424-S428 PolarHBondContact O-OG 3.2Å
425S54.2Low53.1Low68 Ų6887.3 Ų87.348%0.47644%0.441SS..Hα-helixtrans-66.7-33172.7610000111.8Q422 S428 S429Q422-S425 PolarHBondContact O-OG 3.41Å; S425-S428 PolarHBondContact O-OG 2.66Å; S425-S429 WeakPolarHBondContact O-CB 3.42Å; S425-S429 PolarHBondContact O-N 3.33Å; S425-S429 VanDerWaalsContact O-N 3.09Å
426I56.9Low53.8Low87 Ų8780.8 Ų80.845%0.44642%0.416SS..Hα-helixtrans-68.9-47.4171-68.3164.1000110.2I88 Q422 L423 F424 S428 S429I88-I426 HydrophobicContact CD1-CG2 4.23Å; I88-I426 VanDerWaalsContact CD1-O 3.29Å; I88-I426 WeakPolarHBondContact CD1-O 3.31Å; Q422-I426 HydrophobicContact CB-CD1 4.25Å; Q422-I426 VanDerWaalsContact O-CB 3.31Å; Q422-I426 WeakPolarHBondContact O-CB 3.45Å; Q422-I426 WeakPolarHBondContact O-CD1 3.44Å; Q422-I426 WeakPolarHBondContact O-CG1 3.16Å; Q422-I426 PolarHBondContact O-N 3.14Å; L423-I426 PolarHBondContact O-N 3.46Å; F424-I426 VanDerWaalsContact C-N 3.29Å; F424-I426 PolarHBondContact O-N 3.15Å; I426-S428 VanDerWaalsContact C-N 3.32Å; I426-S428 PolarHBondContact O-N 3.16Å; I426-S429 WeakPolarHBondContact O-CB 3.24Å; I426-S429 PolarHBondContact O-N 3.24Å; I426-S429 VanDerWaalsContact O-N 3.15Å; I426-S429 PolarHBondContact O-OG 2.89Å
427L52.2Low54.6Low56 Ų5678.1 Ų78.129%0.29340%0.401SS..Hα-helixtrans-65.5-32.9-179-81.1159.4000113.4I88 Y89 L423 F424I88-L427 HydrophobicContact CG2-CD2 3.98Å; I88-L427 PolarHBondContact N-O 2.79Å; Y89-L427 PolarHBondContact N-O 2.87Å; Y89-L427 VanDerWaalsContact N-O 3.16Å; L423-L427 VanDerWaalsContact O-CB 3.24Å; L423-L427 WeakPolarHBondContact O-CB 3.43Å; L423-L427 WeakPolarHBondContact O-CD1 3.5Å; L423-L427 VanDerWaalsContact O-CG 3.24Å; L423-L427 WeakPolarHBondContact O-CG 3.31Å; L423-L427 PolarHBondContact O-N 3.02Å; F424-L427 PolarHBondContact O-N 3.31Å
428S55.6Low55.8Low65 Ų6569.4 Ų69.446%0.45537%0.369SS..THydrogen-bonded Turntrans-89.2-3.8176.373.30000113.5F424 S425 I426 E430F424-S428 VanDerWaalsContact O-CB 3.28Å; F424-S428 WeakPolarHBondContact O-CB 3.38Å; F424-S428 PolarHBondContact O-N 3.34Å; F424-S428 PolarHBondContact O-OG 3.2Å; S425-S428 PolarHBondContact O-OG 2.66Å; I426-S428 VanDerWaalsContact C-N 3.32Å; I426-S428 PolarHBondContact O-N 3.16Å; S428-E430 PolarHBondContact O-N 3.02Å
429S53.9Low57.2Low49 Ų4965.5 Ų65.534%0.34335%0.348SS..PPolyproline II helixtrans-65129.4177.166.30000109.8S425 I426S425-S429 WeakPolarHBondContact O-CB 3.42Å; S425-S429 PolarHBondContact O-N 3.33Å; S425-S429 VanDerWaalsContact O-N 3.09Å; I426-S429 WeakPolarHBondContact O-CB 3.24Å; I426-S429 PolarHBondContact O-N 3.24Å; I426-S429 VanDerWaalsContact O-N 3.15Å; I426-S429 PolarHBondContact O-OG 2.89Å
430E55.6Low58.4Low135 Ų13563.2 Ų63.263%0.63133%0.332SS*.BIsolated β-bridgetrans-66.3133.1171.1-71.5-171.2166.500108.6N87 S428N87-E430 WeakPolarHBondContact OD1-CG 3.38Å; S428-E430 PolarHBondContact O-N 3.02Å
431I56.5Low59.4Low25 Ų2552.7 Ų52.713%0.12829%0.293CS..PPolyproline II helixtrans-68.6123.5174.3-66.7162.6000106.9F85 R86 I88 I91 Y433 A434 F572F85-I431 HydrophobicContact CB-CD1 4.44Å; F85-I431 WeakPolarHBondContact O-CD1 3.46Å; R86-I431 PolarHBondContact O-N 3.36Å; I88-I431 HydrophobicContact CG1-CG1 4.33Å; I91-I431 HydrophobicContact CD1-CD1 4.27Å; I431-Y433 PolarHBondContact O-N 3.34Å; I431-A434 HydrophobicContact CB-CB 3.98Å; I431-A434 HydrophobicContact CG2-CB 4.29Å; I431-A434 WeakPolarHBondContact O-CB 3.41Å; I431-A434 PolarHBondContact O-N 3.33Å; I431-F572 HydrophobicContact CD1-CD2 4.09Å; I431-F572 HydrophobicContact CD1-CE2 3.81Å; I431-F572 HydrophobicContact CD1-CZ 4.34Å; I431-F572 HydrophobicContact CG1-CE2 4.27Å; I431-F572 HydrophobicContact CG2-CD2 3.87Å; I431-F572 HydrophobicContact CG2-CE2 3.96Å
432P52.8Low60.1Low89 Ų8950.8 Ų50.858%0.57828%0.281SS*.THydrogen-bonded Turntrans-57137.9-179.823.4-33000109.6A434P432-A434 PolarHBondContact O-N 3.48Å
433Y59.7Low60.3Low33 Ų3343.3 Ų43.313%0.12925%0.246CC..THydrogen-bonded Turntrans65.26.5-176.4-52.6-73.9000116.5Y361 I431 S435 T436 A437 V514 Y569Y361-Y433 VanDerWaalsContact CD2-OH 3.24Å; Y361-Y433 WeakPolarHBondContact CD2-OH 3.1Å; Y361-Y433 AromaticContact CE2-CE2 3.83Å; Y361-Y433 HydrophobicContact CE2-CE2 3.83Å; Y361-Y433 AromaticContact CE2-CZ 3.81Å; Y361-Y433 WeakPolarHBondContact CE2-OH 3.34Å; Y361-Y433 AromaticContact CZ-CE2 3.79Å; I431-Y433 PolarHBondContact O-N 3.34Å; Y433-S435 PolarHBondContact O-N 3.01Å; Y433-T436 PolarHBondContact O-N 2.83Å; Y433-A437 PolarHBondContact O-N 2.88Å; Y433-V514 HydrophobicContact CD1-CG1 3.22Å; Y433-V514 HydrophobicContact CE1-CG1 3.23Å; Y433-V514 WeakPolarHBondContact CE1-O 3.37Å; Y433-Y569 HydrophobicContact CD2-CD1 4.17Å; Y433-Y569 AromaticContact CD2-CE1 3.94Å; Y433-Y569 HydrophobicContact CD2-CE1 3.94Å; Y433-Y569 HydrophobicContact CE1-CE1 4.49Å; Y433-Y569 AromaticContact CE2-CD1 3.97Å; Y433-Y569 HydrophobicContact CE2-CD1 3.97Å; Y433-Y569 AromaticContact CE2-CE1 3.35Å; Y433-Y569 HydrophobicContact CE2-CE1 3.35Å; Y433-Y569 AromaticContact CZ-CE1 3.67Å; Y433-Y569 PolarHBondContact OH-OH 3.49Å
434A60.4Low60.3Low8 Ų838.4 Ų38.47%0.06622%0.221CC..Hα-helixtrans-60.4-31.317800000113V84 R86 I431 P432 H438V84-A434 HydrophobicContact CG1-CB 4.36Å; R86-A434 HydrophobicContact CG-CB 4.4Å; I431-A434 HydrophobicContact CB-CB 3.98Å; I431-A434 HydrophobicContact CG2-CB 4.29Å; I431-A434 WeakPolarHBondContact O-CB 3.41Å; I431-A434 PolarHBondContact O-N 3.33Å; P432-A434 PolarHBondContact O-N 3.48Å; A434-H438 WeakPolarHBondContact O-CB 3.29Å; A434-H438 PolarHBondContact O-N 2.87Å
435S64.4Low60.3Low55 Ų5536.4 Ų36.439%0.38521%0.213SC..Hα-helixtrans-65.6-40.6174.2-1680000112.3S340 Y433 H438 L439S340-S435 PolarHBondContact OG-OG 3.27Å; Y433-S435 PolarHBondContact O-N 3.01Å; S435-H438 PolarHBondContact O-N 2.62Å; S435-L439 WeakPolarHBondContact O-CB 3.14Å; S435-L439 PolarHBondContact O-N 2.72Å
436T66.7Low60Low5 Ų533.6 Ų33.63%0.03119%0.193CC..Hα-helixtrans-69.1-48175.9-54.50000110.4Y433 H438 L439 F440 H510 V514 Y570 P579Y433-T436 PolarHBondContact O-N 2.83Å; T436-H438 VanDerWaalsContact C-N 3.26Å; T436-H438 PolarHBondContact O-N 2.87Å; T436-L439 PolarHBondContact O-N 2.88Å; T436-L439 VanDerWaalsContact O-N 3.15Å; T436-F440 HydrophobicContact CG2-CD2 3.77Å; T436-F440 HydrophobicContact CG2-CE2 3.85Å; T436-F440 VanDerWaalsContact O-CD2 3.29Å; T436-F440 WeakPolarHBondContact O-CD2 3.28Å; T436-F440 PolarHBondContact O-N 2.99Å; T436-H510 WeakPolarHBondContact CG2-NE2 3.47Å; T436-H510 PolarHBondContact OG1-NE2 3.24Å; T436-H510 VanDerWaalsContact OG1-NE2 3.08Å; T436-V514 HydrophobicContact CG2-CG1 4.49Å; T436-V514 WeakPolarHBondContact OG1-CG2 3.28Å; T436-Y570 VanDerWaalsContact CG2-OH 3.28Å; T436-Y570 WeakPolarHBondContact CG2-OH 3.15Å; T436-P579 HydrophobicContact CG2-CG 4.45Å
437A65.6Low59Low10 Ų1032.8 Ų32.88%0.08321%0.205CC..Hα-helixtrans-54.6-45.117400000110.9V84 Y433 F440 S441 Y570 A573V84-A437 HydrophobicContact CB-CB 4.47Å; V84-A437 HydrophobicContact CG1-CB 3.69Å; V84-A437 HydrophobicContact CG2-CB 3.96Å; Y433-A437 PolarHBondContact O-N 2.88Å; A437-F440 PolarHBondContact O-N 2.93Å; A437-S441 WeakPolarHBondContact O-CB 3.22Å; A437-S441 PolarHBondContact O-N 3.38Å; A437-S441 PolarHBondContact O-OG 3.34Å; A437-Y570 HydrophobicContact CB-CD1 4.07Å; A437-Y570 HydrophobicContact CB-CE1 3.73Å; A437-A573 HydrophobicContact CB-CB 4.46Å
438H69.9Low58.5Low20 Ų2035.5 Ų35.59%0.09321%0.213CC..Hα-helixtrans-65-43.8177.1-173.3-71.4000112.1V84 A434 S435 T436 F440 S441 T442V84-H438 HydrophobicContact CB-CB 4.46Å; V84-H438 HydrophobicContact CG1-CB 4.28Å; A434-H438 WeakPolarHBondContact O-CB 3.29Å; A434-H438 PolarHBondContact O-N 2.87Å; S435-H438 PolarHBondContact O-N 2.62Å; T436-H438 VanDerWaalsContact C-N 3.26Å; T436-H438 PolarHBondContact O-N 2.87Å; H438-F440 VanDerWaalsContact C-N 3.31Å; H438-F440 PolarHBondContact O-N 3.31Å; H438-S441 PolarHBondContact O-N 3.38Å; H438-T442 PolarHBondContact CE1-OG1 3.25Å; H438-T442 VanDerWaalsContact CE1-OG1 3.26Å; H438-T442 PolarHBondContact ND1-OG1 2.8Å; H438-T442 PolarHBondContact O-N 3.14Å; H438-T442 PolarHBondContact O-OG1 3.39Å
439L74.2Confident57.7Low1 Ų134.4 Ų34.41%0.00521%0.207CC..Hα-helixtrans-58.2-44.8177.317664000111.5F333 N336 A337 S435 T436 A443 I446F333-L439 HydrophobicContact CE2-CD1 4.22Å; F333-L439 HydrophobicContact CE2-CG 4.17Å; N336-L439 HydrophobicContact CB-CD1 4.06Å; A337-L439 HydrophobicContact CB-CD1 4.1Å; A337-L439 HydrophobicContact CB-CD2 4.06Å; S435-L439 WeakPolarHBondContact O-CB 3.14Å; S435-L439 PolarHBondContact O-N 2.72Å; T436-L439 PolarHBondContact O-N 2.88Å; T436-L439 VanDerWaalsContact O-N 3.15Å; L439-A443 VanDerWaalsContact O-CA 3.29Å; L439-A443 WeakPolarHBondContact O-CA 3.38Å; L439-I446 HydrophobicContact CD1-CD1 3.82Å
440F75.1Confident56.8Low2 Ų239.5 Ų39.51%0.00923%0.231CC..Hα-helixtrans-87.2-21-177.2-72.1-80.6000113.8F333 T436 A437 H438 G463 V507 H510 L578 P579 V582F333-F440 HydrophobicContact CE2-CD1 4.12Å; F333-F440 HydrophobicContact CE2-CE1 4.14Å; F333-F440 HydrophobicContact CZ-CD1 4.07Å; F333-F440 AromaticContact CZ-CE1 3.64Å; F333-F440 HydrophobicContact CZ-CE1 3.64Å; F333-F440 HydrophobicContact CZ-CZ 4.25Å; T436-F440 HydrophobicContact CG2-CD2 3.77Å; T436-F440 HydrophobicContact CG2-CE2 3.85Å; T436-F440 VanDerWaalsContact O-CD2 3.29Å; T436-F440 WeakPolarHBondContact O-CD2 3.28Å; T436-F440 PolarHBondContact O-N 2.99Å; A437-F440 PolarHBondContact O-N 2.93Å; H438-F440 VanDerWaalsContact C-N 3.31Å; H438-F440 PolarHBondContact O-N 3.31Å; F440-G463 WeakPolarHBondContact O-CA 3.48Å; F440-G463 PolarHBondContact O-N 3.37Å; F440-V507 HydrophobicContact CZ-CG1 4.19Å; F440-H510 AromaticContact CE2-CD2 3.78Å; F440-L578 HydrophobicContact CB-CD2 4.21Å; F440-L578 VanDerWaalsContact O-CD2 3.27Å; F440-L578 WeakPolarHBondContact O-CD2 3.04Å; F440-P579 HydrophobicContact CB-CG 4.33Å; F440-P579 HydrophobicContact CD1-CB 4.28Å; F440-P579 HydrophobicContact CD2-CB 3.84Å; F440-P579 HydrophobicContact CD2-CG 3.74Å; F440-P579 HydrophobicContact CE1-CB 4.17Å; F440-P579 HydrophobicContact CE2-CB 3.76Å; F440-P579 HydrophobicContact CE2-CG 4.16Å; F440-P579 HydrophobicContact CG-CB 4.12Å; F440-P579 HydrophobicContact CG-CG 3.94Å; F440-P579 HydrophobicContact CZ-CB 3.93Å; F440-V582 HydrophobicContact CD1-CB 4.29Å; F440-V582 HydrophobicContact CD1-CG2 4.07Å; F440-V582 HydrophobicContact CE1-CB 3.97Å; F440-V582 HydrophobicContact CE1-CG1 3.98Å; F440-V582 HydrophobicContact CE1-CG2 4.26Å
441S68.2Low55.7Low2 Ų238 Ų381%0.01423%0.228CC..Hα-helixtrans-93.5-27.3179600000114.6T81 V84 A437 H438 S462T81-S441 WeakPolarHBondContact CB-O 3.19Å; T81-S441 WeakPolarHBondContact CG2-O 3.35Å; V84-S441 WeakPolarHBondContact CG2-OG 3.49Å; A437-S441 WeakPolarHBondContact O-CB 3.22Å; A437-S441 PolarHBondContact O-N 3.38Å; A437-S441 PolarHBondContact O-OG 3.34Å; H438-S441 PolarHBondContact O-N 3.38Å; S441-S462 WeakPolarHBondContact O-CA 3.45Å
442T65Low54.8Low15 Ų1544.2 Ų44.29%0.09226%0.26CS..SBendtrans-126.644.9-176.743.20000110.2H438 T444 D445 T461H438-T442 PolarHBondContact CE1-OG1 3.25Å; H438-T442 VanDerWaalsContact CE1-OG1 3.26Å; H438-T442 PolarHBondContact ND1-OG1 2.8Å; H438-T442 PolarHBondContact O-N 3.14Å; H438-T442 PolarHBondContact O-OG1 3.39Å; T442-T444 PolarHBondContact O-N 3.43Å; T442-D445 PolarHBondContact O-N 3.09Å; T442-T461 CarbonylContact C-O 3.43Å
443A55.8Low54Low0 Ų044.7 Ų44.70%026%0.258CS..THydrogen-bonded Turntrans-44.2-15.9-16800000116.9F333 N336 L439 T461 I466F333-A443 HydrophobicContact CD2-CB 3.79Å; N336-A443 PolarHBondContact ND2-O 2.92Å; L439-A443 VanDerWaalsContact O-CA 3.29Å; L439-A443 WeakPolarHBondContact O-CA 3.38Å; A443-T461 PolarHBondContact N-O 3.23Å; A443-I466 HydrophobicContact CB-CG1 4.13Å
444T51.7Low53.2Low12 Ų1248 Ų487%0.07427%0.273CS..THydrogen-bonded Turntrans-115.1-9.4-177.149.90000115.6Q332 N336 T442 V459 T461Q332-T444 HydrophobicContact CB-CG2 4.45Å; Q332-T444 HydrophobicContact CG-CG2 3.93Å; Q332-T444 VanDerWaalsContact NE2-CB 3.29Å; Q332-T444 PolarHBondContact NE2-O 2.88Å; N336-T444 WeakPolarHBondContact ND2-CA 3.45Å; T442-T444 PolarHBondContact O-N 3.43Å; T444-V459 PolarHBondContact OG1-O 2.71Å; T444-T461 WeakPolarHBondContact CB-OG1 3.38Å; T444-T461 HydrophobicContact CG2-CG2 4.03Å; T444-T461 WeakPolarHBondContact CG2-OG1 3.26Å; T444-T461 PolarHBondContact OG1-OG1 3.45Å
445D52.2Low52.1Low28 Ų2853 Ų5315%0.1530%0.298CS..  trans-108.614.4-160.6-111.3-11000116T442 G447 Y448T442-D445 PolarHBondContact O-N 3.09Å; D445-G447 PolarHBondContact O-N 3.33Å; D445-Y448 PolarHBondContact O-N 2.84Å
446I46.7Very low50.8Low9 Ų956.2 Ų56.25%0.04631%0.306CS..G310 helixtrans-62.3-21.6-173.7-56.8-167.3000113.3N336 L439N336-I446 HydrophobicContact CB-CD1 3.54Å; N336-I446 HydrophobicContact CB-CG1 4.02Å; L439-I446 HydrophobicContact CD1-CD1 3.82Å
447G37.7Very low49.4Very low69 Ų6961.7 Ų61.771%0.71134%0.341SS*.G310 helixtrans-72.3-21.1179.300000116.1D445D445-G447 PolarHBondContact O-N 3.33Å
448Y40.8Very low48.1Very low113 Ų11364.5 Ų64.544%0.44335%0.354SS..G310 helixtrans-111.35.3-172.8-73.7-79.9000114.6D445 N450 D451 L458D445-Y448 PolarHBondContact O-N 2.84Å; Y448-N450 PolarHBondContact O-N 3.46Å; Y448-D451 HydrophobicContact CD1-CB 4.23Å; Y448-D451 PolarHBondContact O-N 3.23Å; Y448-L458 HydrophobicContact CD2-CD2 4.02Å; Y448-L458 HydrophobicContact CE2-CD1 4.45Å; Y448-L458 HydrophobicContact CE2-CD2 3.77Å
449A38.8Very low46.9Very low42 Ų4266.7 Ų66.735%0.34737%0.369SS..THydrogen-bonded Turntrans-61.3-11.2-17900000114.7
450N35.2Very low45.7Very low156 Ų15670.4 Ų70.483%0.83438%0.383SS*.THydrogen-bonded Turntrans-104-10.5176.1-67.6-13.5000113.8Y448Y448-N450 PolarHBondContact O-N 3.46Å
451D31.3Very low44.8Very low105 Ų10570.6 Ų70.656%0.56138%0.384SS*.  trans-96.4122.2176.6-97.9-24.5000109.6Y448 D453Y448-D451 HydrophobicContact CD1-CB 4.23Å; Y448-D451 PolarHBondContact O-N 3.23Å; D451-D453 PolarHBondContact O-N 3.06Å
452L39Very low44.8Very low154 Ų15471 Ų7181%0.80639%0.387SS*.  trans-68.712175.4-84.2149.7000113.3F454L452-F454 HydrophobicContact CD2-CE2 4.31Å; L452-F454 VanDerWaalsContact O-CD2 3.23Å; L452-F454 WeakPolarHBondContact O-CD2 3.5Å; L452-F454 PolarHBondContact O-N 3.43Å
453D34.9Very low45.3Very low99 Ų9970.2 Ų70.253%0.52938%0.382SS..  trans-92.282.9-171.3-156.510.4000111.1D451 D455D451-D453 PolarHBondContact O-N 3.06Å; D453-D455 PolarHBondContact O-N 3.26Å
454F43.3Very low46.4Very low104 Ų10470.6 Ų70.646%0.45638%0.384SS..THydrogen-bonded Turntrans-76.76.9-178.9-65.3-79.4000114.4L452L452-F454 HydrophobicContact CD2-CE2 4.31Å; L452-F454 VanDerWaalsContact O-CD2 3.23Å; L452-F454 WeakPolarHBondContact O-CD2 3.5Å; L452-F454 PolarHBondContact O-N 3.43Å
455D38.5Very low47.7Very low111 Ų11170.4 Ų70.459%0.59438%0.383SS*.THydrogen-bonded Turntrans-100.7-2.8-169-84.3-18.3000115.6R99 D453R99-D455 IonicContact CZ-OD1 3.98Å; R99-D455 IonicContact NH1-OD1 2.75Å; R99-D455 IonicContact NH2-OD1 3.14Å; R99-D455 PolarHBondContact NH2-OD1 3Å; D453-D455 PolarHBondContact O-N 3.26Å
456K36.8Very low49.4Very low124 Ų12469.1 Ų69.154%0.53938%0.376SS..SBendtrans-87.5128.4169.4-72.1-179.2-176.8168.70111.2L458K456-L458 HydrophobicContact CB-CD1 3.83Å; K456-L458 HydrophobicContact CD-CD1 4.31Å; K456-L458 PolarHBondContact O-N 3.3Å
457P36.9Very low51.1Low120 Ų12068.8 Ų68.878%0.77937%0.374SS*.  trans-75.862.5170.534.1-33.8000109V459P457-V459 PolarHBondContact O-N 3.16Å
458L37.6Very low53.4Low68 Ų6866 Ų6636%0.35634%0.342SS..  trans-68.4131163.1-99.487.8000107.3Y448 K456 R460Y448-L458 HydrophobicContact CD2-CD2 4.02Å; Y448-L458 HydrophobicContact CE2-CD1 4.45Å; Y448-L458 HydrophobicContact CE2-CD2 3.77Å; K456-L458 HydrophobicContact CB-CD1 3.83Å; K456-L458 HydrophobicContact CD-CD1 4.31Å; K456-L458 PolarHBondContact O-N 3.3Å; L458-R460 VanDerWaalsContact C-N 3.31Å; L458-R460 PolarHBondContact O-N 3.16Å
459V44.5Very low55.6Low66 Ų6660.7 Ų60.740%0.432%0.321SS..  trans-57.395-179.5-1770000108Q285 T444 P457 T461Q285-V459 VanDerWaalsContact OE1-CG1 3.31Å; T444-V459 PolarHBondContact OG1-O 2.71Å; P457-V459 PolarHBondContact O-N 3.16Å; V459-T461 HydrophobicContact CB-CG2 4.44Å; V459-T461 HydrophobicContact CG1-CG2 3.58Å; V459-T461 PolarHBondContact O-N 2.96Å
460R50.8Low57.9Low80 Ų8058.7 Ų58.730%0.30231%0.305SS..  trans-65.3106.3171.5-62-175.3179.2-175-2.4105.7T81 L458T81-R460 HydrophobicContact CG2-CB 3.53Å; T81-R460 WeakPolarHBondContact CG2-O 3.46Å; T81-R460 VanDerWaalsContact OG1-CB 3.32Å; T81-R460 WeakPolarHBondContact OG1-CB 2.87Å; L458-R460 VanDerWaalsContact C-N 3.31Å; L458-R460 PolarHBondContact O-N 3.16Å
461T55.3Low60.4Low5 Ų554.3 Ų54.33%0.03128%0.28CS..  trans-104.2131.3176.261.80000110.5T81 L329 T442 A443 T444 V459 V465T81-T461 VanDerWaalsContact CG2-C 3.43Å; L329-T461 HydrophobicContact CD2-CG2 4.06Å; T442-T461 CarbonylContact C-O 3.43Å; A443-T461 PolarHBondContact N-O 3.23Å; T444-T461 WeakPolarHBondContact CB-OG1 3.38Å; T444-T461 HydrophobicContact CG2-CG2 4.03Å; T444-T461 WeakPolarHBondContact CG2-OG1 3.26Å; T444-T461 PolarHBondContact OG1-OG1 3.45Å; V459-T461 HydrophobicContact CB-CG2 4.44Å; V459-T461 HydrophobicContact CG1-CG2 3.58Å; V459-T461 PolarHBondContact O-N 2.96Å; T461-V465 HydrophobicContact CG2-CB 4.49Å; T461-V465 HydrophobicContact CG2-CG1 4.11Å; T461-V465 HydrophobicContact CG2-CG2 4.27Å
462S69Low63Low10 Ų1049.4 Ų49.47%0.0725%0.253CS..  trans-82160.3172.5171.20000110S441 Q464 V465S441-S462 WeakPolarHBondContact O-CA 3.45Å; S462-Q464 PolarHBondContact O-N 3.03Å; S462-Q464 PolarHBondContact OG-N 3.42Å; S462-V465 WeakPolarHBondContact O-CB 3.5Å; S462-V465 PolarHBondContact O-N 2.97Å
463G73.6Confident65.5Low0 Ų042.1 Ų42.10%022%0.215CC..Hα-helixtrans-55.3-21168.600000112.4F440 V465 I466 I467F440-G463 WeakPolarHBondContact O-CA 3.48Å; F440-G463 PolarHBondContact O-N 3.37Å; G463-V465 VanDerWaalsContact C-N 3.3Å; G463-V465 PolarHBondContact O-N 3.24Å; G463-I466 WeakPolarHBondContact O-CB 3.42Å; G463-I466 PolarHBondContact O-N 3Å; G463-I466 VanDerWaalsContact O-N 3.11Å; G463-I467 PolarHBondContact O-N 3.26Å
464Q79.9Confident68Low8 Ų837.4 Ų37.44%0.03719%0.19CC..Hα-helixtrans-61.8-35.4170-172.263.550.200112.8Y171 S462 I466 I467 W468 L578 R581Y171-Q464 HydrophobicContact CD2-CG 3.75Å; Y171-Q464 HydrophobicContact CE2-CG 4.29Å; Y171-Q464 HydrophobicContact CG-CG 4.34Å; S462-Q464 PolarHBondContact O-N 3.03Å; S462-Q464 PolarHBondContact OG-N 3.42Å; Q464-I466 VanDerWaalsContact C-N 3.26Å; Q464-I466 PolarHBondContact O-N 3.49Å; Q464-I467 WeakPolarHBondContact O-CB 3.47Å; Q464-I467 PolarHBondContact O-N 3.37Å; Q464-W468 HydrophobicContact CG-CD2 4.12Å; Q464-W468 HydrophobicContact CG-CE3 4.36Å; Q464-W468 HydrophobicContact CG-CH2 3.78Å; Q464-W468 HydrophobicContact CG-CZ2 3.5Å; Q464-W468 VanDerWaalsContact CG-CZ2 3.5Å; Q464-W468 HydrophobicContact CG-CZ3 4.24Å; Q464-W468 PolarHBondContact O-N 3.2Å; Q464-L578 HydrophobicContact CB-CD1 4.48Å; Q464-R581 VanDerWaalsContact OE1-CZ 3.23Å
465V79.9Confident70.2Confident8 Ų833.7 Ų33.75%0.04818%0.176CC..Hα-helixtrans-61.9-38.7173.1171.20000110.5H286 L289 L329 T461 S462 G463 W468 A469H286-V465 WeakPolarHBondContact ND1-CG2 3.47Å; L289-V465 HydrophobicContact CD2-CB 4.24Å; L289-V465 HydrophobicContact CD2-CG1 3.63Å; L289-V465 HydrophobicContact CD2-CG2 4.41Å; L329-V465 HydrophobicContact CD1-CG1 3.69Å; L329-V465 HydrophobicContact CD2-CG1 3.87Å; L329-V465 HydrophobicContact CG-CG1 4.27Å; T461-V465 HydrophobicContact CG2-CB 4.49Å; T461-V465 HydrophobicContact CG2-CG1 4.11Å; T461-V465 HydrophobicContact CG2-CG2 4.27Å; S462-V465 WeakPolarHBondContact O-CB 3.5Å; S462-V465 PolarHBondContact O-N 2.97Å; G463-V465 VanDerWaalsContact C-N 3.3Å; G463-V465 PolarHBondContact O-N 3.24Å; V465-W468 PolarHBondContact O-N 3.39Å; V465-A469 VanDerWaalsContact O-CB 3.26Å; V465-A469 WeakPolarHBondContact O-CB 3.33Å; V465-A469 PolarHBondContact O-N 3.47Å
466I86.6Confident72.6Confident0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-69-39.2178-54.5-54.5000110.9L329 F333 A443 G463 Q464 T470 V582 F586L329-I466 HydrophobicContact CB-CD1 4.33Å; L329-I466 VanDerWaalsContact O-CD1 3.32Å; L329-I466 WeakPolarHBondContact O-CD1 3.45Å; F333-I466 HydrophobicContact CB-CD1 3.57Å; F333-I466 HydrophobicContact CB-CG1 3.93Å; F333-I466 HydrophobicContact CD1-CG1 4.45Å; F333-I466 HydrophobicContact CD1-CG2 4Å; F333-I466 HydrophobicContact CD2-CG1 4.09Å; F333-I466 HydrophobicContact CE1-CG2 4.4Å; F333-I466 HydrophobicContact CG-CD1 4.11Å; F333-I466 HydrophobicContact CG-CG1 3.89Å; F333-I466 HydrophobicContact CG-CG2 4.29Å; A443-I466 HydrophobicContact CB-CG1 4.13Å; G463-I466 WeakPolarHBondContact O-CB 3.42Å; G463-I466 PolarHBondContact O-N 3Å; G463-I466 VanDerWaalsContact O-N 3.11Å; Q464-I466 VanDerWaalsContact C-N 3.26Å; Q464-I466 PolarHBondContact O-N 3.49Å; I466-T470 VanDerWaalsContact O-CB 3.29Å; I466-T470 WeakPolarHBondContact O-CB 3.36Å; I466-T470 PolarHBondContact O-N 3.45Å; I466-T470 PolarHBondContact O-OG1 3.4Å; I466-V582 HydrophobicContact CG2-CG1 4.35Å; I466-F586 HydrophobicContact CG2-CE2 3.97Å; I466-F586 HydrophobicContact CG2-CZ 3.84Å
467I83Confident75.1Confident2 Ų222.5 Ų22.51%0.0112%0.123CC..Hα-helixtrans-56.2-54.8172.3-67.6170.2000109.6G463 Q464 A469 T470 E471 L578 R581 V582 T585G463-I467 PolarHBondContact O-N 3.26Å; Q464-I467 WeakPolarHBondContact O-CB 3.47Å; Q464-I467 PolarHBondContact O-N 3.37Å; I467-A469 PolarHBondContact O-N 3Å; I467-T470 PolarHBondContact O-N 3.4Å; I467-E471 HydrophobicContact CG2-CG 4.42Å; I467-E471 WeakPolarHBondContact CG2-OE1 3.49Å; I467-E471 WeakPolarHBondContact O-CG 3.23Å; I467-E471 PolarHBondContact O-N 3.34Å; I467-L578 HydrophobicContact CD1-CD1 4.03Å; I467-R581 HydrophobicContact CD1-CB 3.67Å; I467-V582 HydrophobicContact CD1-CG2 4.09Å; I467-V582 HydrophobicContact CG1-CG2 3.78Å; I467-T585 HydrophobicContact CG2-CG2 4.22Å
468W85.1Confident77.5Confident12 Ų1218.8 Ų18.85%0.04510%0.096CC..Hα-helixtrans-66.3-39.7-178.6-64.1-34.2000113.7Y171 H286 L289 E290 A293 Q464 V465 T470 E471 I472Y171-W468 HydrophobicContact CD1-CH2 4.5Å; Y171-W468 HydrophobicContact CD1-CZ2 4.05Å; Y171-W468 HydrophobicContact CD2-CH2 4.18Å; Y171-W468 HydrophobicContact CD2-CZ2 4.09Å; Y171-W468 HydrophobicContact CE1-CH2 4.06Å; Y171-W468 HydrophobicContact CE1-CZ2 4.01Å; Y171-W468 AromaticContact CE2-CH2 3.67Å; Y171-W468 HydrophobicContact CE2-CH2 3.67Å; Y171-W468 HydrophobicContact CE2-CZ2 4.03Å; Y171-W468 HydrophobicContact CG-CZ2 4.06Å; Y171-W468 AromaticContact CZ-CH2 3.56Å; Y171-W468 AromaticContact CZ-CZ2 3.94Å; H286-W468 AromaticContact CD2-CH2 3.39Å; H286-W468 WeakPolarHBondContact CD2-CH2 3.49Å; H286-W468 AromaticContact CD2-CZ3 3.35Å; H286-W468 WeakPolarHBondContact CD2-CZ3 3.31Å; H286-W468 AromaticContact CE1-CE3 3.71Å; H286-W468 AromaticContact CE1-CH2 3.43Å; H286-W468 VanDerWaalsContact CE1-CH2 3.43Å; H286-W468 WeakPolarHBondContact CE1-CH2 3.49Å; H286-W468 AromaticContact CE1-CZ3 2.97Å; H286-W468 WeakPolarHBondContact CE1-CZ3 3.42Å; H286-W468 AromaticContact CG-CZ3 3.49Å; H286-W468 VanDerWaalsContact CG-CZ3 3.49Å; H286-W468 AromaticContact ND1-CE3 3.98Å; H286-W468 AromaticContact ND1-CZ3 3.26Å; H286-W468 VanDerWaalsContact ND1-CZ3 3.26Å; H286-W468 WeakPolarHBondContact ND1-CZ3 3.43Å; H286-W468 AromaticContact NE2-CH2 3Å; H286-W468 WeakPolarHBondContact NE2-CH2 3.15Å; H286-W468 AromaticContact NE2-CZ3 3.07Å; H286-W468 WeakPolarHBondContact NE2-CZ3 3.19Å; H286-W468 VanDerWaalsContact O-CZ3 3.23Å; H286-W468 WeakPolarHBondContact O-CZ3 3.46Å; L289-W468 HydrophobicContact CB-CE3 4.21Å; L289-W468 HydrophobicContact CD2-CB 4.22Å; L289-W468 HydrophobicContact CD2-CE3 4.13Å; L289-W468 HydrophobicContact CG-CB 4.14Å; L289-W468 HydrophobicContact CG-CE3 4.18Å; E290-W468 HydrophobicContact CB-CD2 4.25Å; E290-W468 HydrophobicContact CB-CE3 4.06Å; E290-W468 HydrophobicContact CB-CH2 3.39Å; E290-W468 HydrophobicContact CB-CZ2 3.61Å; E290-W468 HydrophobicContact CB-CZ3 3.59Å; E290-W468 HydrophobicContact CG-CH2 3.69Å; E290-W468 HydrophobicContact CG-CZ2 3.44Å; E290-W468 VanDerWaalsContact CG-CZ2 3.44Å; E290-W468 HydrophobicContact CG-CZ3 4.36Å; A293-W468 HydrophobicContact CB-CB 4.05Å; A293-W468 HydrophobicContact CB-CG 4.14Å; Q464-W468 HydrophobicContact CG-CD2 4.12Å; Q464-W468 HydrophobicContact CG-CE3 4.36Å; Q464-W468 HydrophobicContact CG-CH2 3.78Å; Q464-W468 HydrophobicContact CG-CZ2 3.5Å; Q464-W468 VanDerWaalsContact CG-CZ2 3.5Å; Q464-W468 HydrophobicContact CG-CZ3 4.24Å; Q464-W468 PolarHBondContact O-N 3.2Å; V465-W468 PolarHBondContact O-N 3.39Å; W468-T470 VanDerWaalsContact C-N 3.26Å; W468-T470 PolarHBondContact O-N 2.91Å; W468-E471 PolarHBondContact O-N 3.04Å; W468-I472 WeakPolarHBondContact O-CB 3.16Å; W468-I472 WeakPolarHBondContact O-CD1 3.32Å; W468-I472 WeakPolarHBondContact O-CG1 3.16Å; W468-I472 PolarHBondContact O-N 3.05Å
469A87Confident79.8Confident0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-60.5-40.1175.600000111.3C326 L329 I330 V465 I467 L473C326-A469 HydrophobicContact CB-CB 4.23Å; L329-A469 HydrophobicContact CB-CB 4.34Å; L329-A469 HydrophobicContact CD1-CB 4.19Å; I330-A469 HydrophobicContact CD1-CB 4.29Å; I330-A469 HydrophobicContact CG1-CB 4.16Å; V465-A469 VanDerWaalsContact O-CB 3.26Å; V465-A469 WeakPolarHBondContact O-CB 3.33Å; V465-A469 PolarHBondContact O-N 3.47Å; I467-A469 PolarHBondContact O-N 3Å; A469-L473 WeakPolarHBondContact O-CB 3.44Å; A469-L473 PolarHBondContact O-N 3.15Å; A469-L473 VanDerWaalsContact O-N 3.12Å
470T88.4Confident81.9Confident1 Ų113.1 Ų13.11%0.0067%0.066CC..Hα-helixtrans-68.2-44.3176.2-53.70000111.1I466 I467 W468 L473 A474 F500 T585 F586 A589I466-T470 VanDerWaalsContact O-CB 3.29Å; I466-T470 WeakPolarHBondContact O-CB 3.36Å; I466-T470 PolarHBondContact O-N 3.45Å; I466-T470 PolarHBondContact O-OG1 3.4Å; I467-T470 PolarHBondContact O-N 3.4Å; W468-T470 VanDerWaalsContact C-N 3.26Å; W468-T470 PolarHBondContact O-N 2.91Å; T470-L473 PolarHBondContact O-N 2.94Å; T470-A474 WeakPolarHBondContact O-CB 3.28Å; T470-A474 PolarHBondContact O-N 2.9Å; T470-F500 HydrophobicContact CG2-CD1 4.01Å; T470-F500 HydrophobicContact CG2-CE1 3.71Å; T470-F500 HydrophobicContact CG2-CZ 4.43Å; T470-T585 HydrophobicContact CG2-CG2 3.86Å; T470-F586 HydrophobicContact CG2-CD1 3.89Å; T470-F586 HydrophobicContact CG2-CE1 4.04Å; T470-A589 HydrophobicContact CG2-CB 3.76Å
471E86.9Confident83.4Confident64 Ų6414.3 Ų14.330%0.2997%0.071SC..Hα-helixtrans-62.9-47.6176.5-74.9171.917800112.4I467 W468 L473 A474 C475 T585 W588I467-E471 HydrophobicContact CG2-CG 4.42Å; I467-E471 WeakPolarHBondContact CG2-OE1 3.49Å; I467-E471 WeakPolarHBondContact O-CG 3.23Å; I467-E471 PolarHBondContact O-N 3.34Å; W468-E471 PolarHBondContact O-N 3.04Å; E471-L473 VanDerWaalsContact C-N 3.33Å; E471-L473 PolarHBondContact O-N 3.48Å; E471-A474 PolarHBondContact O-N 2.98Å; E471-C475 VanDerWaalsContact O-CB 3.25Å; E471-C475 WeakPolarHBondContact O-CB 3.45Å; E471-C475 PolarHBondContact O-N 2.84Å; E471-C475 PolarHBondContact O-SG 2.94Å; E471-C475 VanDerWaalsContact O-SG 3.36Å; E471-T585 HydrophobicContact CG-CG2 3.84Å; E471-W588 HydrophobicContact CG-CZ3 4.22Å
472I85.7Confident84.9Confident1 Ų120.4 Ų20.41%0.00510%0.103CC..Hα-helixtrans-55.9-50.5176.4-71161.3000109.9L289 L292 A293 I322 W468 L476L289-I472 HydrophobicContact CD1-CD1 3.47Å; L289-I472 VanDerWaalsContact CD1-CD1 3.47Å; L289-I472 HydrophobicContact CG-CD1 4.13Å; L292-I472 HydrophobicContact CB-CD1 4.23Å; L292-I472 HydrophobicContact CD2-CD1 4.02Å; L292-I472 HydrophobicContact CG-CD1 4.01Å; L292-I472 HydrophobicContact CG-CG1 4.43Å; A293-I472 HydrophobicContact CB-CD1 4.1Å; A293-I472 HydrophobicContact CB-CG1 3.75Å; I322-I472 HydrophobicContact CG2-CG2 3.71Å; W468-I472 WeakPolarHBondContact O-CB 3.16Å; W468-I472 WeakPolarHBondContact O-CD1 3.32Å; W468-I472 WeakPolarHBondContact O-CG1 3.16Å; W468-I472 PolarHBondContact O-N 3.05Å; I472-L476 HydrophobicContact CG2-CD1 3.86Å; I472-L476 WeakPolarHBondContact O-CB 3.23Å; I472-L476 VanDerWaalsContact O-CG 3.27Å; I472-L476 WeakPolarHBondContact O-CG 3.24Å; I472-L476 PolarHBondContact O-N 3.37Å
473L91.4Very high85.7Confident1 Ų121.6 Ų21.61%0.00511%0.108CC..Hα-helixtrans-66.7-41.9-177.3-168.564.1000111.2W319 C326 I330 A469 T470 E471 T477 I496 L499 F500W319-L473 HydrophobicContact CH2-CD1 3.87Å; W319-L473 HydrophobicContact CZ3-CD1 4.41Å; C326-L473 HydrophobicContact CB-CB 4.42Å; I330-L473 HydrophobicContact CD1-CD2 4.48Å; A469-L473 WeakPolarHBondContact O-CB 3.44Å; A469-L473 PolarHBondContact O-N 3.15Å; A469-L473 VanDerWaalsContact O-N 3.12Å; T470-L473 PolarHBondContact O-N 2.94Å; E471-L473 VanDerWaalsContact C-N 3.33Å; E471-L473 PolarHBondContact O-N 3.48Å; L473-T477 VanDerWaalsContact O-CB 3.26Å; L473-T477 WeakPolarHBondContact O-CB 3.37Å; L473-T477 PolarHBondContact O-N 2.86Å; L473-T477 PolarHBondContact O-OG1 2.9Å; L473-I496 HydrophobicContact CD1-CD1 3.97Å; L473-I496 HydrophobicContact CD1-CG1 4.12Å; L473-I496 HydrophobicContact CD2-CB 4.48Å; L473-I496 HydrophobicContact CD2-CG1 4.21Å; L473-I496 HydrophobicContact CD2-CG2 3.87Å; L473-I496 HydrophobicContact CG-CD1 4.4Å; L473-I496 HydrophobicContact CG-CG1 4.27Å; L473-I496 HydrophobicContact CG-CG2 3.86Å; L473-L499 HydrophobicContact CD2-CD2 3.97Å; L473-F500 HydrophobicContact CB-CE1 4.26Å; L473-F500 HydrophobicContact CB-CZ 3.91Å; L473-F500 HydrophobicContact CD2-CE1 3.86Å; L473-F500 HydrophobicContact CD2-CZ 3.9Å; L473-F500 HydrophobicContact CG-CE1 4.32Å; L473-F500 HydrophobicContact CG-CZ 3.9Å
474A88.6Confident86.2Confident0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-67.1-47.8178.700000111.9T470 E471 L476 T477 L478 F500 W588 A589T470-A474 WeakPolarHBondContact O-CB 3.28Å; T470-A474 PolarHBondContact O-N 2.9Å; E471-A474 PolarHBondContact O-N 2.98Å; A474-L476 PolarHBondContact O-N 3.41Å; A474-T477 PolarHBondContact O-N 3.29Å; A474-T477 VanDerWaalsContact O-N 3.15Å; A474-L478 WeakPolarHBondContact O-CB 3.26Å; A474-L478 VanDerWaalsContact O-CG 3.27Å; A474-L478 WeakPolarHBondContact O-CG 3.27Å; A474-L478 PolarHBondContact O-N 3.43Å; A474-F500 HydrophobicContact CB-CE2 4.13Å; A474-F500 HydrophobicContact CB-CZ 3.97Å; A474-W588 HydrophobicContact CB-CE3 4.44Å; A474-W588 HydrophobicContact CB-CH2 3.93Å; A474-W588 HydrophobicContact CB-CZ3 3.55Å; A474-A589 HydrophobicContact CB-CB 3.79Å
475C88.2Confident86.3Confident26 Ų2630.2 Ų30.218%0.17615%0.148CC..Hα-helixtrans-62.3-43178-73.40000112.1V296 E471 T477 L478 A479V296-C475 HydrophobicContact CG1-CB 3.63Å; E471-C475 VanDerWaalsContact O-CB 3.25Å; E471-C475 WeakPolarHBondContact O-CB 3.45Å; E471-C475 PolarHBondContact O-N 2.84Å; E471-C475 PolarHBondContact O-SG 2.94Å; E471-C475 VanDerWaalsContact O-SG 3.36Å; C475-T477 VanDerWaalsContact C-N 3.32Å; C475-T477 PolarHBondContact O-N 3.36Å; C475-L478 PolarHBondContact O-N 2.68Å; C475-A479 VanDerWaalsContact O-CB 3.23Å; C475-A479 WeakPolarHBondContact O-CB 3.31Å; C475-A479 PolarHBondContact O-N 2.82Å
476L88.8Confident86.4Confident1 Ų134.6 Ų34.61%0.00517%0.167CC..Hα-helixtrans-63.7-39.4173.7-71.3171.7000111.3V296 R303 I306 F307 W319 I322 I472 A474 A479 A480V296-L476 HydrophobicContact CG1-CD2 3.8Å; V296-L476 HydrophobicContact CG1-CG 3.66Å; V296-L476 HydrophobicContact CG2-CD2 4.24Å; V296-L476 HydrophobicContact CG2-CG 4.41Å; R303-L476 HydrophobicContact CG-CD2 4.13Å; I306-L476 HydrophobicContact CD1-CD2 4.03Å; I306-L476 HydrophobicContact CG2-CD1 4.36Å; I306-L476 HydrophobicContact CG2-CD2 4.23Å; F307-L476 HydrophobicContact CE1-CD2 4.15Å; F307-L476 HydrophobicContact CZ-CB 4.4Å; F307-L476 HydrophobicContact CZ-CD2 3.91Å; W319-L476 HydrophobicContact CE3-CD1 4.03Å; W319-L476 HydrophobicContact CZ3-CB 3.75Å; W319-L476 HydrophobicContact CZ3-CD1 3.72Å; W319-L476 HydrophobicContact CZ3-CG 4.32Å; I322-L476 HydrophobicContact CG2-CD1 4.18Å; I472-L476 HydrophobicContact CG2-CD1 3.86Å; I472-L476 WeakPolarHBondContact O-CB 3.23Å; I472-L476 VanDerWaalsContact O-CG 3.27Å; I472-L476 WeakPolarHBondContact O-CG 3.24Å; I472-L476 PolarHBondContact O-N 3.37Å; A474-L476 PolarHBondContact O-N 3.41Å; L476-A479 PolarHBondContact O-N 3.37Å; L476-A480 WeakPolarHBondContact O-CB 3.24Å; L476-A480 PolarHBondContact O-N 2.73Å
477T89Confident86.3Confident0 Ų035.1 Ų35.10%017%0.173CC..Hα-helixtrans-65.6-42.4178-57.20000112.3L473 A474 C475 V489 L493 I496 Y597L473-T477 VanDerWaalsContact O-CB 3.26Å; L473-T477 WeakPolarHBondContact O-CB 3.37Å; L473-T477 PolarHBondContact O-N 2.86Å; L473-T477 PolarHBondContact O-OG1 2.9Å; A474-T477 PolarHBondContact O-N 3.29Å; A474-T477 VanDerWaalsContact O-N 3.15Å; C475-T477 VanDerWaalsContact C-N 3.32Å; C475-T477 PolarHBondContact O-N 3.36Å; T477-V489 HydrophobicContact CG2-CG1 4.4Å; T477-L493 HydrophobicContact CG2-CD1 3.52Å; T477-I496 WeakPolarHBondContact OG1-CD1 3.33Å; T477-Y597 HydrophobicContact CG2-CE2 3.82Å; T477-Y597 WeakPolarHBondContact O-CE2 3.28Å; T477-Y597 PolarHBondContact O-OH 3.15Å
478L87.4Confident86.3Confident42 Ų4235.4 Ų35.422%0.2218%0.175CC..Hα-helixtrans-66.6-44.6176.2-69170.1000111.6A474 C475 A480 Y481 N592 Q596A474-L478 WeakPolarHBondContact O-CB 3.26Å; A474-L478 VanDerWaalsContact O-CG 3.27Å; A474-L478 WeakPolarHBondContact O-CG 3.27Å; A474-L478 PolarHBondContact O-N 3.43Å; C475-L478 PolarHBondContact O-N 2.68Å; L478-A480 VanDerWaalsContact C-N 3.34Å; L478-A480 PolarHBondContact O-N 3.06Å; L478-Y481 WeakPolarHBondContact O-CB 3.4Å; L478-Y481 PolarHBondContact O-N 2.9Å; L478-N592 HydrophobicContact CD1-CB 3.99Å; L478-N592 HydrophobicContact CD2-CB 4.1Å; L478-N592 WeakPolarHBondContact CD2-O 3.09Å; L478-Q596 HydrophobicContact CD2-CB 3.81Å; L478-Q596 HydrophobicContact CD2-CG 4.21Å
479A87Confident86.2Confident13 Ų1334.9 Ų34.911%0.10717%0.173CC..Hα-helixtrans-66.8-35.1178.700000112.8R303 F307 C475 L476 Y481 N482 E483R303-A479 VanDerWaalsContact CD-CB 3.41Å; F307-A479 HydrophobicContact CE2-CB 4.48Å; C475-A479 VanDerWaalsContact O-CB 3.23Å; C475-A479 WeakPolarHBondContact O-CB 3.31Å; C475-A479 PolarHBondContact O-N 2.82Å; L476-A479 PolarHBondContact O-N 3.37Å; A479-Y481 PolarHBondContact O-N 2.89Å; A479-Y481 VanDerWaalsContact O-N 3.08Å; A479-N482 PolarHBondContact O-N 2.99Å; A479-E483 WeakPolarHBondContact O-CB 3.41Å; A479-E483 PolarHBondContact O-N 3.48Å
480A87.6Confident86Confident1 Ų139.9 Ų39.91%0.00820%0.196CC..Hα-helixtrans-57.9-24.8179.900000113.5F307 L476 L478 N482 D484 V489F307-A480 HydrophobicContact CE1-CB 4.33Å; F307-A480 HydrophobicContact CZ-CB 4.05Å; L476-A480 WeakPolarHBondContact O-CB 3.24Å; L476-A480 PolarHBondContact O-N 2.73Å; L478-A480 VanDerWaalsContact C-N 3.34Å; L478-A480 PolarHBondContact O-N 3.06Å; A480-N482 PolarHBondContact O-N 3.48Å; A480-D484 HydrophobicContact CB-CB 3.68Å; A480-D484 WeakPolarHBondContact O-CB 3.29Å; A480-D484 PolarHBondContact O-N 3.05Å; A480-V489 HydrophobicContact CB-CB 3.56Å; A480-V489 HydrophobicContact CB-CG1 3.84Å; A480-V489 HydrophobicContact CB-CG2 3.59Å
481Y84Confident85.8Confident106 Ų10647.5 Ų47.542%0.41623%0.232SC..Hα-helixtrans-56-35.9176-171.5-91.1000112.5L478 A479 Q596 Y597L478-Y481 WeakPolarHBondContact O-CB 3.4Å; L478-Y481 PolarHBondContact O-N 2.9Å; A479-Y481 PolarHBondContact O-N 2.89Å; A479-Y481 VanDerWaalsContact O-N 3.08Å; Y481-Q596 VanDerWaalsContact CD1-NE2 3.28Å; Y481-Q596 HydrophobicContact CD2-CG 4.19Å; Y481-Q596 HydrophobicContact CG-CG 4.13Å; Y481-Y597 HydrophobicContact CD2-CD1 4.13Å; Y481-Y597 AromaticContact CD2-CE1 3.79Å; Y481-Y597 HydrophobicContact CD2-CE1 3.79Å; Y481-Y597 PolarHBondContact N-OH 3.49Å
482N85Confident85.8Confident133 Ų13346.3 Ų46.371%0.71123%0.229SC*.Hα-helixtrans-110.8-26.3-179.9-65.1-40000113.7A479 A480A479-N482 PolarHBondContact O-N 2.99Å; A480-N482 PolarHBondContact O-N 3.48Å
483E86Confident85.9Confident35 Ų3546.5 Ų46.516%0.16423%0.23CC..Hα-helixtrans-105.6-20.3-166.5-62.4176.8-169.400114R303 F307 A479 Q485R303-E483 VanDerWaalsContact CB-OE2 3.25Å; R303-E483 WeakPolarHBondContact CB-OE2 3.38Å; R303-E483 IonicContact CZ-OE1 3.7Å; R303-E483 IonicContact CZ-OE2 3.89Å; R303-E483 IonicContact NE-OE1 3.29Å; R303-E483 PolarHBondContact NE-OE1 3.41Å; R303-E483 IonicContact NE-OE2 2.83Å; R303-E483 PolarHBondContact NE-OE2 3.35Å; R303-E483 IonicContact NH2-OE1 3.69Å; R303-E483 PolarHBondContact NH2-OE1 2.95Å; R303-E483 IonicContact NH2-OE2 3.41Å; F307-E483 HydrophobicContact CD2-CB 3.98Å; F307-E483 HydrophobicContact CE2-CB 3.82Å; A479-E483 WeakPolarHBondContact O-CB 3.41Å; A479-E483 PolarHBondContact O-N 3.48Å; E483-Q485 PolarHBondContact O-N 3.09Å; E483-Q485 VanDerWaalsContact O-N 3.14Å
484D85.1Confident85.6Confident13 Ų1346.9 Ų46.97%0.0723%0.234CC..  trans-87.384.2-176.4179.919.6000111.5F307 A480 F486 G487 S488 V489F307-D484 HydrophobicContact CD1-CB 4.32Å; F307-D484 HydrophobicContact CD2-CB 4.39Å; F307-D484 HydrophobicContact CG-CB 4.24Å; A480-D484 HydrophobicContact CB-CB 3.68Å; A480-D484 WeakPolarHBondContact O-CB 3.29Å; A480-D484 PolarHBondContact O-N 3.05Å; D484-F486 PolarHBondContact O-N 2.93Å; D484-F486 VanDerWaalsContact O-N 3.12Å; D484-F486 PolarHBondContact OD1-N 3.32Å; D484-G487 PolarHBondContact O-N 2.91Å; D484-G487 PolarHBondContact OD1-N 3.46Å; D484-G487 WeakPolarHBondContact OD2-CA 3.34Å; D484-S488 VanDerWaalsContact CG-N 3.35Å; D484-S488 PolarHBondContact OD1-N 3.14Å; D484-S488 PolarHBondContact OD1-OG 3.36Å; D484-S488 PolarHBondContact OD2-N 2.66Å; D484-V489 PolarHBondContact OD2-N 3.4Å
485Q82.1Confident85.6Confident175 Ų17552.6 Ų52.682%0.81826%0.256SS*.THydrogen-bonded Turntrans-60.3-21.1180-64.1-177.1-7.600114E483E483-Q485 PolarHBondContact O-N 3.09Å; E483-Q485 VanDerWaalsContact O-N 3.14Å
486F82.1Confident85.7Confident100 Ų10051.3 Ų51.344%0.43925%0.247SC..THydrogen-bonded Turntrans-102.1-2.5-175-57.6-71.3000113.3F307 L309 D484 S488F307-F486 WeakPolarHBondContact O-CD2 3.41Å; L309-F486 HydrophobicContact CD1-CD1 3.98Å; L309-F486 HydrophobicContact CD1-CE1 3.45Å; L309-F486 VanDerWaalsContact CD1-CE1 3.45Å; L309-F486 HydrophobicContact CD1-CE2 4.17Å; L309-F486 HydrophobicContact CD1-CZ 3.56Å; L309-F486 HydrophobicContact CD2-CD1 4.31Å; L309-F486 HydrophobicContact CD2-CD2 4.09Å; L309-F486 HydrophobicContact CD2-CE1 4.47Å; L309-F486 HydrophobicContact CD2-CE2 4.27Å; L309-F486 HydrophobicContact CD2-CG 4.12Å; L309-F486 HydrophobicContact CD2-CZ 4.45Å; L309-F486 HydrophobicContact CG-CD1 4.25Å; L309-F486 HydrophobicContact CG-CD2 4.06Å; L309-F486 HydrophobicContact CG-CE1 3.92Å; L309-F486 HydrophobicContact CG-CE2 3.71Å; L309-F486 HydrophobicContact CG-CG 4.32Å; L309-F486 HydrophobicContact CG-CZ 3.64Å; D484-F486 PolarHBondContact O-N 2.93Å; D484-F486 VanDerWaalsContact O-N 3.12Å; D484-F486 PolarHBondContact OD1-N 3.32Å; F486-S488 PolarHBondContact O-N 2.86Å
487G83.4Confident85.7Confident12 Ų1251.4 Ų51.412%0.12425%0.248CC..  trans61.623.9-17700000113.7D484 V489 Q490 Q491D484-G487 PolarHBondContact O-N 2.91Å; D484-G487 PolarHBondContact OD1-N 3.46Å; D484-G487 WeakPolarHBondContact OD2-CA 3.34Å; G487-V489 VanDerWaalsContact C-N 3.3Å; G487-V489 PolarHBondContact O-N 2.99Å; G487-Q490 PolarHBondContact O-N 3.46Å; G487-Q491 WeakPolarHBondContact O-CG 3.23Å; G487-Q491 PolarHBondContact O-N 2.89Å
488S83Confident85.7Confident8 Ų853.3 Ų53.36%0.05626%0.258CS..THydrogen-bonded Turntrans-57.8-40.8-179-49.10000112.7P316 W319 D484 F486P316-S488 WeakPolarHBondContact CG-OG 3.47Å; W319-S488 PolarHBondContact NE1-O 3.15Å; D484-S488 VanDerWaalsContact CG-N 3.35Å; D484-S488 PolarHBondContact OD1-N 3.14Å; D484-S488 PolarHBondContact OD1-OG 3.36Å; D484-S488 PolarHBondContact OD2-N 2.66Å; F486-S488 PolarHBondContact O-N 2.86Å
489V84Confident85.9Confident0 Ų051.8 Ų51.80%025%0.25CC..THydrogen-bonded Turntrans-79.6-37.7179.7-176.80000110.5F307 W319 T477 A480 D484 G487 Q491 T492 L493 I496F307-V489 HydrophobicContact CD1-CG2 4.07Å; F307-V489 HydrophobicContact CE1-CG2 3.54Å; F307-V489 HydrophobicContact CZ-CG2 4.42Å; W319-V489 HydrophobicContact CD2-CG2 3.92Å; W319-V489 HydrophobicContact CE3-CG2 4.02Å; W319-V489 HydrophobicContact CH2-CB 4.28Å; W319-V489 HydrophobicContact CH2-CG1 3.81Å; W319-V489 HydrophobicContact CH2-CG2 3.77Å; W319-V489 HydrophobicContact CZ2-CB 3.99Å; W319-V489 HydrophobicContact CZ2-CG1 3.83Å; W319-V489 HydrophobicContact CZ2-CG2 3.67Å; W319-V489 HydrophobicContact CZ3-CG2 3.94Å; T477-V489 HydrophobicContact CG2-CG1 4.4Å; A480-V489 HydrophobicContact CB-CB 3.56Å; A480-V489 HydrophobicContact CB-CG1 3.84Å; A480-V489 HydrophobicContact CB-CG2 3.59Å; D484-V489 PolarHBondContact OD2-N 3.4Å; G487-V489 VanDerWaalsContact C-N 3.3Å; G487-V489 PolarHBondContact O-N 2.99Å; V489-Q491 VanDerWaalsContact C-N 3.26Å; V489-Q491 PolarHBondContact O-N 3.21Å; V489-T492 CarbonylContact O-C 3.59Å; V489-T492 WeakPolarHBondContact O-CA 3.34Å; V489-T492 PolarHBondContact O-N 3.01Å; V489-T492 PolarHBondContact O-OG1 3.47Å; V489-L493 PolarHBondContact O-N 3.45Å; V489-I496 HydrophobicContact CG1-CD1 4.05Å
490Q83.3Confident86.1Confident105 Ų10551.1 Ų51.149%0.49125%0.245SC..G310 helixtrans-58.1-38178.8-65.4-176.7-9.700111.9G487 T492 L493G487-Q490 PolarHBondContact O-N 3.46Å; Q490-T492 PolarHBondContact O-N 3.37Å; Q490-L493 WeakPolarHBondContact O-CB 3.32Å; Q490-L493 PolarHBondContact O-N 2.98Å
491Q83.7Confident86.1Confident162 Ų16251.6 Ų51.676%0.75725%0.248SC*.G310 helixtrans-59.9-27.1173.8-70.2178.31200113.5G487 V489G487-Q491 WeakPolarHBondContact O-CG 3.23Å; G487-Q491 PolarHBondContact O-N 2.89Å; V489-Q491 VanDerWaalsContact C-N 3.26Å; V489-Q491 PolarHBondContact O-N 3.21Å
492T86Confident86.4Confident39 Ų3948.5 Ų48.524%0.23924%0.239CC..G310 helixtrans-107.2-1-178.6530000113.8W319 V489 Q490 G494 R495 I496W319-T492 WeakPolarHBondContact CZ2-OG1 3.46Å; V489-T492 CarbonylContact O-C 3.59Å; V489-T492 WeakPolarHBondContact O-CA 3.34Å; V489-T492 PolarHBondContact O-N 3.01Å; V489-T492 PolarHBondContact O-OG1 3.47Å; Q490-T492 PolarHBondContact O-N 3.37Å; T492-G494 VanDerWaalsContact C-N 3.32Å; T492-G494 PolarHBondContact O-N 2.85Å; T492-R495 WeakPolarHBondContact O-CB 3.48Å; T492-R495 PolarHBondContact O-N 3.1Å; T492-I496 WeakPolarHBondContact O-CG1 3.17Å; T492-I496 PolarHBondContact O-N 2.88Å; T492-I496 VanDerWaalsContact O-N 3.07Å
493L88.2Confident86.5Confident4 Ų442.1 Ų42.12%0.02121%0.205CC..Hα-helixtrans-57-43.6-171.3179.161.1000112.5T477 V489 Q490 R495 I496 L497 Y597 L604T477-L493 HydrophobicContact CG2-CD1 3.52Å; V489-L493 PolarHBondContact O-N 3.45Å; Q490-L493 WeakPolarHBondContact O-CB 3.32Å; Q490-L493 PolarHBondContact O-N 2.98Å; L493-R495 VanDerWaalsContact C-N 3.3Å; L493-R495 PolarHBondContact O-N 3.25Å; L493-I496 PolarHBondContact O-N 3.3Å; L493-L497 HydrophobicContact CD1-CD1 4.19Å; L493-L497 HydrophobicContact CD1-CG 4.12Å; L493-L497 HydrophobicContact CG-CD1 4.16Å; L493-L497 HydrophobicContact CG-CG 4.47Å; L493-L497 WeakPolarHBondContact O-CG 3.22Å; L493-L497 PolarHBondContact O-N 3.1Å; L493-Y597 HydrophobicContact CD1-CD2 4.13Å; L493-Y597 HydrophobicContact CD1-CE2 4.1Å; L493-Y597 HydrophobicContact CD1-CG 4.36Å; L493-Y597 HydrophobicContact CD2-CD1 3.36Å; L493-Y597 HydrophobicContact CD2-CD2 4.26Å; L493-Y597 HydrophobicContact CD2-CE1 3.63Å; L493-Y597 HydrophobicContact CD2-CG 3.69Å; L493-L604 HydrophobicContact CB-CD2 3.93Å; L493-L604 HydrophobicContact CD2-CD1 4.16Å; L493-L604 HydrophobicContact CD2-CD2 3.84Å; L493-L604 HydrophobicContact CG-CD1 4.39Å; L493-L604 HydrophobicContact CG-CD2 4.01Å
494G85.2Confident86.6Confident10 Ų1041 Ų4110%0.10320%0.2CC..Hα-helixtrans-59.3-40.8177.700000112.8T492 L498T492-G494 VanDerWaalsContact C-N 3.32Å; T492-G494 PolarHBondContact O-N 2.85Å; G494-L498 WeakPolarHBondContact O-CB 3.47Å; G494-L498 WeakPolarHBondContact O-CG 3.29Å; G494-L498 PolarHBondContact O-N 3.49Å; G494-L498 VanDerWaalsContact O-N 3.1Å
495R88.8Confident86.7Confident119 Ų11945.1 Ų45.145%0.44922%0.219SC..Hα-helixtrans-67.5-39.2176.9-170.1-175.6172.8-175.1-3111.6F327 E331 T492 L493 L499F327-R495 HydrophobicContact CE1-CB 4.39Å; F327-R495 HydrophobicContact CE1-CG 3.67Å; F327-R495 HydrophobicContact CZ-CB 4.27Å; F327-R495 HydrophobicContact CZ-CG 3.92Å; E331-R495 IonicContact OE1-CZ 3.45Å; E331-R495 IonicContact OE1-NE 2.65Å; E331-R495 IonicContact OE1-NH2 2.73Å; E331-R495 PolarHBondContact OE1-NH2 2.81Å; E331-R495 IonicContact OE2-NH2 2.61Å; T492-R495 WeakPolarHBondContact O-CB 3.48Å; T492-R495 PolarHBondContact O-N 3.1Å; L493-R495 VanDerWaalsContact C-N 3.3Å; L493-R495 PolarHBondContact O-N 3.25Å; R495-L499 WeakPolarHBondContact O-CB 3.4Å; R495-L499 PolarHBondContact O-N 3.35Å
496I90Very high86.9Confident0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-63.7-49.9178.6-63.6171.2000110.6W319 F327 L473 T477 V489 T492 L493 L498 L499 F500W319-I496 HydrophobicContact CH2-CD1 3.96Å; W319-I496 HydrophobicContact CZ2-CD1 4.06Å; F327-I496 HydrophobicContact CE1-CG1 4.45Å; F327-I496 HydrophobicContact CE2-CG1 4.44Å; F327-I496 HydrophobicContact CZ-CG1 3.65Å; L473-I496 HydrophobicContact CD1-CD1 3.97Å; L473-I496 HydrophobicContact CD1-CG1 4.12Å; L473-I496 HydrophobicContact CD2-CB 4.48Å; L473-I496 HydrophobicContact CD2-CG1 4.21Å; L473-I496 HydrophobicContact CD2-CG2 3.87Å; L473-I496 HydrophobicContact CG-CD1 4.4Å; L473-I496 HydrophobicContact CG-CG1 4.27Å; L473-I496 HydrophobicContact CG-CG2 3.86Å; T477-I496 WeakPolarHBondContact OG1-CD1 3.33Å; V489-I496 HydrophobicContact CG1-CD1 4.05Å; T492-I496 WeakPolarHBondContact O-CG1 3.17Å; T492-I496 PolarHBondContact O-N 2.88Å; T492-I496 VanDerWaalsContact O-N 3.07Å; L493-I496 PolarHBondContact O-N 3.3Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.45Å; I496-L499 WeakPolarHBondContact O-CB 3.47Å; I496-L499 PolarHBondContact O-N 2.8Å; I496-F500 HydrophobicContact CG2-CD2 3.99Å; I496-F500 HydrophobicContact CG2-CE2 3.45Å; I496-F500 VanDerWaalsContact CG2-CE2 3.45Å; I496-F500 HydrophobicContact CG2-CZ 3.77Å; I496-F500 PolarHBondContact O-N 3.39Å
497L88.6Confident87Confident3 Ų332.4 Ų32.42%0.01616%0.162CC..Hα-helixtrans-62.7-41.7-179.8-68.7177.5000112L493 F500 A501 C593 L594 F601 L604 L614L493-L497 HydrophobicContact CD1-CD1 4.19Å; L493-L497 HydrophobicContact CD1-CG 4.12Å; L493-L497 HydrophobicContact CG-CD1 4.16Å; L493-L497 HydrophobicContact CG-CG 4.47Å; L493-L497 WeakPolarHBondContact O-CG 3.22Å; L493-L497 PolarHBondContact O-N 3.1Å; L497-F500 PolarHBondContact O-N 3.48Å; L497-A501 WeakPolarHBondContact O-CB 3.39Å; L497-A501 PolarHBondContact O-N 2.98Å; L497-C593 HydrophobicContact CD2-CB 3.54Å; L497-L594 HydrophobicContact CD1-CD2 4.36Å; L497-L594 HydrophobicContact CD2-CD2 4.17Å; L497-F601 HydrophobicContact CD1-CE1 3.72Å; L497-F601 HydrophobicContact CD1-CZ 4.16Å; L497-L604 HydrophobicContact CD1-CD1 4.27Å; L497-L614 HydrophobicContact CB-CD1 4.13Å; L497-L614 HydrophobicContact CB-CD2 4.22Å
498L89.1Confident86.9Confident40 Ų4033.6 Ų33.621%0.20916%0.164CC..Hα-helixtrans-61.9-42.2173.8-82.6178000112.4G494 I496 F500 A501 D502 L606G494-L498 WeakPolarHBondContact O-CB 3.47Å; G494-L498 WeakPolarHBondContact O-CG 3.29Å; G494-L498 PolarHBondContact O-N 3.49Å; G494-L498 VanDerWaalsContact O-N 3.1Å; I496-L498 VanDerWaalsContact C-N 3.34Å; I496-L498 PolarHBondContact O-N 3.45Å; L498-F500 PolarHBondContact O-N 2.63Å; L498-A501 PolarHBondContact O-N 3.39Å; L498-D502 VanDerWaalsContact O-CB 3.31Å; L498-D502 WeakPolarHBondContact O-CB 3.32Å; L498-D502 PolarHBondContact O-N 2.75Å; L498-L606 HydrophobicContact CD1-CD2 3.45Å; L498-L606 VanDerWaalsContact CD1-CD2 3.45Å; L498-L606 HydrophobicContact CG-CD2 3.96Å
499L91.8Very high86.9Confident9 Ų938.5 Ų38.55%0.04718%0.184CC..Hα-helixtrans-60.8-44.3177.7-172.977.4000111.7F327 I330 E331 L334 L473 R495 I496 G503F327-L499 HydrophobicContact CD1-CD1 4.27Å; F327-L499 HydrophobicContact CD1-CD2 3.49Å; F327-L499 VanDerWaalsContact CD1-CD2 3.49Å; F327-L499 HydrophobicContact CD1-CG 4.33Å; F327-L499 HydrophobicContact CE1-CB 4.24Å; F327-L499 HydrophobicContact CE1-CD2 3.69Å; F327-L499 HydrophobicContact CE1-CG 4.43Å; F327-L499 HydrophobicContact CG-CD2 4.49Å; I330-L499 HydrophobicContact CB-CD1 4.32Å; I330-L499 HydrophobicContact CB-CD2 3.86Å; I330-L499 HydrophobicContact CB-CG 4.23Å; I330-L499 HydrophobicContact CD1-CD2 3.69Å; I330-L499 HydrophobicContact CG1-CD2 4.38Å; I330-L499 HydrophobicContact CG2-CD1 3.83Å; I330-L499 HydrophobicContact CG2-CD2 3.77Å; I330-L499 HydrophobicContact CG2-CG 3.63Å; E331-L499 HydrophobicContact CG-CD1 3.65Å; L334-L499 HydrophobicContact CD1-CD1 3.9Å; L473-L499 HydrophobicContact CD2-CD2 3.97Å; R495-L499 WeakPolarHBondContact O-CB 3.4Å; R495-L499 PolarHBondContact O-N 3.35Å; I496-L499 WeakPolarHBondContact O-CB 3.47Å; I496-L499 PolarHBondContact O-N 2.8Å; L499-G503 PolarHBondContact O-N 2.79Å
500F90.9Very high86.6Confident0 Ų038.6 Ų38.60%019%0.185CC..Hα-helixtrans-67-40.6177.1-64.1-28.2000112.5I330 T470 L473 A474 I496 L497 L498 G503 L504 F586 A589 V590I330-F500 HydrophobicContact CD1-CE1 4.49Å; T470-F500 HydrophobicContact CG2-CD1 4.01Å; T470-F500 HydrophobicContact CG2-CE1 3.71Å; T470-F500 HydrophobicContact CG2-CZ 4.43Å; L473-F500 HydrophobicContact CB-CE1 4.26Å; L473-F500 HydrophobicContact CB-CZ 3.91Å; L473-F500 HydrophobicContact CD2-CE1 3.86Å; L473-F500 HydrophobicContact CD2-CZ 3.9Å; L473-F500 HydrophobicContact CG-CE1 4.32Å; L473-F500 HydrophobicContact CG-CZ 3.9Å; A474-F500 HydrophobicContact CB-CE2 4.13Å; A474-F500 HydrophobicContact CB-CZ 3.97Å; I496-F500 HydrophobicContact CG2-CD2 3.99Å; I496-F500 HydrophobicContact CG2-CE2 3.45Å; I496-F500 VanDerWaalsContact CG2-CE2 3.45Å; I496-F500 HydrophobicContact CG2-CZ 3.77Å; I496-F500 PolarHBondContact O-N 3.39Å; L497-F500 PolarHBondContact O-N 3.48Å; L498-F500 PolarHBondContact O-N 2.63Å; F500-G503 PolarHBondContact O-N 3.15Å; F500-L504 WeakPolarHBondContact O-CB 3.35Å; F500-L504 PolarHBondContact O-N 3.09Å; F500-F586 HydrophobicContact CD1-CD1 4.33Å; F500-F586 HydrophobicContact CD1-CE1 4.37Å; F500-A589 HydrophobicContact CD1-CB 4.39Å; F500-A589 HydrophobicContact CD2-CB 3.97Å; F500-A589 HydrophobicContact CE1-CB 4.38Å; F500-A589 HydrophobicContact CE2-CB 3.95Å; F500-A589 HydrophobicContact CG-CB 4.2Å; F500-A589 HydrophobicContact CZ-CB 4.16Å; F500-V590 HydrophobicContact CB-CG2 3.52Å
501A87.7Confident86.3Confident10 Ų1033.6 Ų33.68%0.08316%0.162CC..Hα-helixtrans-63.4-47.8176.300000112L497 L498 G503 L504 E505 L614 L617L497-A501 WeakPolarHBondContact O-CB 3.39Å; L497-A501 PolarHBondContact O-N 2.98Å; L498-A501 PolarHBondContact O-N 3.39Å; A501-G503 VanDerWaalsContact C-N 3.29Å; A501-G503 PolarHBondContact O-N 3.03Å; A501-L504 PolarHBondContact O-N 3.34Å; A501-E505 PolarHBondContact O-N 3.45Å; A501-L614 HydrophobicContact CB-CD2 3.97Å; A501-L617 HydrophobicContact CB-CD1 3.54Å
502D90Very high85.8Confident41 Ų4129.6 Ų29.622%0.21914%0.14CC..Hα-helixtrans-60.6-40.3174.9-86.27.7000111.2L334 R338 L498 A506L334-D502 HydrophobicContact CD1-CB 4.15Å; L334-D502 WeakPolarHBondContact CD2-O 3.24Å; R338-D502 IonicContact CZ-OD2 2.66Å; R338-D502 IonicContact NH2-OD1 3.4Å; R338-D502 IonicContact NH2-OD2 3.52Å; R338-D502 PolarHBondContact NH2-OD2 3.33Å; L498-D502 VanDerWaalsContact O-CB 3.31Å; L498-D502 WeakPolarHBondContact O-CB 3.32Å; L498-D502 PolarHBondContact O-N 2.75Å; D502-A506 VanDerWaalsContact O-CB 3.31Å; D502-A506 WeakPolarHBondContact O-CB 3.36Å; D502-A506 PolarHBondContact O-N 2.94Å
503G88.6Confident85Confident0 Ų031.5 Ų31.50%015%0.145CC..Hα-helixtrans-55.6-54.4173.600000112.1L499 F500 A501 A506 V507L499-G503 PolarHBondContact O-N 2.79Å; F500-G503 PolarHBondContact O-N 3.15Å; A501-G503 VanDerWaalsContact C-N 3.29Å; A501-G503 PolarHBondContact O-N 3.03Å; G503-A506 PolarHBondContact O-N 3.44Å; G503-V507 VanDerWaalsContact O-CG2 3.31Å; G503-V507 WeakPolarHBondContact O-CG2 3.37Å; G503-V507 PolarHBondContact O-N 3.2Å
504L87.3Confident83.9Confident11 Ų1131.8 Ų31.86%0.05815%0.147CC..Hα-helixtrans-59.8-47.8179-174.762.8000111.5F500 A501 A506 V507 E508 Y583 F586 C587 V590 L617F500-L504 WeakPolarHBondContact O-CB 3.35Å; F500-L504 PolarHBondContact O-N 3.09Å; A501-L504 PolarHBondContact O-N 3.34Å; L504-A506 PolarHBondContact O-N 2.9Å; L504-V507 PolarHBondContact O-N 2.84Å; L504-E508 WeakPolarHBondContact O-CB 3.41Å; L504-E508 PolarHBondContact O-N 3.29Å; L504-Y583 HydrophobicContact CD1-CD2 3.81Å; L504-Y583 HydrophobicContact CD1-CE2 3.55Å; L504-F586 HydrophobicContact CB-CB 4.27Å; L504-F586 HydrophobicContact CD1-CB 4.21Å; L504-C587 HydrophobicContact CD1-CB 4.18Å; L504-V590 HydrophobicContact CD2-CG2 4.39Å; L504-L617 HydrophobicContact CD2-CD2 4.46Å
505E86.5Confident82.8Confident99 Ų9933.3 Ų33.346%0.46316%0.162SC..Hα-helixtrans-61.9-44.6180-173.5-177.4171.200111.8A501 E508 K509A501-E505 PolarHBondContact O-N 3.45Å; E505-E508 PolarHBondContact O-N 2.93Å; E505-K509 VanDerWaalsContact O-CB 3.25Å; E505-K509 WeakPolarHBondContact O-CB 3.28Å; E505-K509 PolarHBondContact O-N 2.92Å
506A86.1Confident81.5Confident7 Ų729.4 Ų29.46%0.05815%0.15CC..Hα-helixtrans-65.2-42.5-179.100000112.3L334 A337 N341 D502 G503 L504 H510L334-A506 HydrophobicContact CD2-CB 3.55Å; A337-A506 HydrophobicContact CB-CB 4.35Å; N341-A506 PolarHBondContact ND2-O 2.99Å; D502-A506 VanDerWaalsContact O-CB 3.31Å; D502-A506 WeakPolarHBondContact O-CB 3.36Å; D502-A506 PolarHBondContact O-N 2.94Å; G503-A506 PolarHBondContact O-N 3.44Å; L504-A506 PolarHBondContact O-N 2.9Å; A506-H510 WeakPolarHBondContact O-CB 3.31Å; A506-H510 PolarHBondContact O-N 3.03Å
507V85Confident80Confident1 Ų130.9 Ų30.91%0.00616%0.158CC..Hα-helixtrans-68.9-45.1177.21740000110.7F333 F440 G503 L504 K509 H510 L511 V582 Y583 F586F333-V507 HydrophobicContact CE1-CG2 3.69Å; F333-V507 HydrophobicContact CZ-CG2 3.99Å; F440-V507 HydrophobicContact CZ-CG1 4.19Å; G503-V507 VanDerWaalsContact O-CG2 3.31Å; G503-V507 WeakPolarHBondContact O-CG2 3.37Å; G503-V507 PolarHBondContact O-N 3.2Å; L504-V507 PolarHBondContact O-N 2.84Å; V507-K509 VanDerWaalsContact C-N 3.34Å; V507-K509 PolarHBondContact O-N 3.11Å; V507-H510 WeakPolarHBondContact O-CB 3.41Å; V507-H510 PolarHBondContact O-N 3.3Å; V507-H510 VanDerWaalsContact O-N 3.15Å; V507-L511 HydrophobicContact CG1-CD1 3.88Å; V507-L511 HydrophobicContact CG1-CG 4.2Å; V507-L511 WeakPolarHBondContact O-CB 3.05Å; V507-L511 WeakPolarHBondContact O-CG 3.21Å; V507-L511 PolarHBondContact O-N 2.91Å; V507-V582 HydrophobicContact CG2-CG1 4.22Å; V507-Y583 HydrophobicContact CG1-CD2 4.07Å; V507-Y583 HydrophobicContact CG1-CG 4.44Å; V507-F586 HydrophobicContact CG2-CD2 4.23Å; V507-F586 HydrophobicContact CG2-CE2 4.21Å
508E81.9Confident78.2Confident38 Ų3834.3 Ų34.318%0.17818%0.182CC..Hα-helixtrans-60.3-44.1177.8-167.8-172.7178.900111.3L504 E505 H510 L511 R512 L517 Y583L504-E508 WeakPolarHBondContact O-CB 3.41Å; L504-E508 PolarHBondContact O-N 3.29Å; E505-E508 PolarHBondContact O-N 2.93Å; E508-H510 VanDerWaalsContact C-N 3.33Å; E508-H510 PolarHBondContact O-N 3.23Å; E508-L511 PolarHBondContact O-N 3.34Å; E508-R512 WeakPolarHBondContact O-CB 3.23Å; E508-R512 WeakPolarHBondContact O-CG 3.38Å; E508-R512 PolarHBondContact O-N 3.37Å; E508-R512 IonicContact OE1-CZ 3.71Å; E508-R512 IonicContact OE1-NE 3.9Å; E508-R512 IonicContact OE1-NH1 2.77Å; E508-R512 PolarHBondContact OE1-NH1 3.01Å; E508-R512 IonicContact OE1-NH2 3.69Å; E508-R512 PolarHBondContact OE1-NH2 3.36Å; E508-L517 HydrophobicContact CB-CD1 4.4Å; E508-L517 HydrophobicContact CG-CD1 3.74Å; E508-Y583 HydrophobicContact CB-CE2 4.15Å; E508-Y583 HydrophobicContact CG-CE2 4.28Å
509K82.1Confident75.9Confident110 Ų11037.6 Ų37.648%0.47820%0.204SC..Hα-helixtrans-60.6-42.4174.7-175.4176.8-178.81780111.7N341 E505 V507 F513N341-K509 HydrophobicContact CB-CD 4.47Å; E505-K509 VanDerWaalsContact O-CB 3.25Å; E505-K509 WeakPolarHBondContact O-CB 3.28Å; E505-K509 PolarHBondContact O-N 2.92Å; V507-K509 VanDerWaalsContact C-N 3.34Å; V507-K509 PolarHBondContact O-N 3.11Å; K509-F513 WeakPolarHBondContact O-CB 3.29Å; K509-F513 PolarHBondContact O-N 2.85Å
510H78.9Confident73.2Confident3 Ų343.8 Ų43.81%0.01423%0.233CC..Hα-helixtrans-64.5-48.7176.9-169.278.5000111.6S340 N341 T436 F440 A506 V507 E508 R512 F513 V514S340-H510 PolarHBondContact OG-CE1 3.42Å; N341-H510 WeakPolarHBondContact OD1-CA 3.35Å; N341-H510 WeakPolarHBondContact OD1-CB 3.32Å; N341-H510 PolarHBondContact OD1-ND1 2.88Å; T436-H510 WeakPolarHBondContact CG2-NE2 3.47Å; T436-H510 PolarHBondContact OG1-NE2 3.24Å; T436-H510 VanDerWaalsContact OG1-NE2 3.08Å; F440-H510 AromaticContact CE2-CD2 3.78Å; A506-H510 WeakPolarHBondContact O-CB 3.31Å; A506-H510 PolarHBondContact O-N 3.03Å; V507-H510 WeakPolarHBondContact O-CB 3.41Å; V507-H510 PolarHBondContact O-N 3.3Å; V507-H510 VanDerWaalsContact O-N 3.15Å; E508-H510 VanDerWaalsContact C-N 3.33Å; E508-H510 PolarHBondContact O-N 3.23Å; H510-R512 VanDerWaalsContact C-N 3.29Å; H510-R512 PolarHBondContact O-N 2.92Å; H510-F513 WeakPolarHBondContact O-CB 3.46Å; H510-F513 PolarHBondContact O-N 3.47Å; H510-F513 VanDerWaalsContact O-N 3.13Å; H510-V514 WeakPolarHBondContact O-CB 3.25Å; H510-V514 WeakPolarHBondContact O-CG2 3.22Å; H510-V514 PolarHBondContact O-N 2.65Å
511L75.2Confident70.4Confident0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-63.7-35179.6-69177.2000112.2V507 E508 V514 G515 L516 L517 P579 W580 Y583V507-L511 HydrophobicContact CG1-CD1 3.88Å; V507-L511 HydrophobicContact CG1-CG 4.2Å; V507-L511 WeakPolarHBondContact O-CB 3.05Å; V507-L511 WeakPolarHBondContact O-CG 3.21Å; V507-L511 PolarHBondContact O-N 2.91Å; E508-L511 PolarHBondContact O-N 3.34Å; L511-V514 PolarHBondContact O-N 3.17Å; L511-G515 PolarHBondContact O-N 3.05Å; L511-L516 HydrophobicContact CB-CB 4.31Å; L511-L516 HydrophobicContact CD2-CB 4.09Å; L511-L516 HydrophobicContact CD2-CD1 3.64Å; L511-L516 PolarHBondContact O-N 2.88Å; L511-L517 HydrophobicContact CB-CB 4.23Å; L511-L517 HydrophobicContact CB-CD1 3.55Å; L511-L517 HydrophobicContact CB-CG 3.77Å; L511-L517 HydrophobicContact CD1-CD1 3.87Å; L511-L517 HydrophobicContact CD1-CG 4.31Å; L511-L517 HydrophobicContact CG-CD1 4.37Å; L511-L517 PolarHBondContact O-N 2.97Å; L511-L517 VanDerWaalsContact O-N 3.12Å; L511-P579 HydrophobicContact CD2-CB 3.98Å; L511-W580 HydrophobicContact CD1-CE3 4.19Å; L511-W580 HydrophobicContact CD1-CZ3 4.07Å; L511-Y583 HydrophobicContact CD1-CD2 4.14Å; L511-Y583 HydrophobicContact CD1-CG 4.06Å
512R73.7Confident67.7Low77 Ų7756.4 Ų56.429%0.29128%0.283SS..Hα-helixtrans-64.6-45.5170.9-78.2-179.6173.7147.75.4112.2E508 H510 V514 G515 L517E508-R512 WeakPolarHBondContact O-CB 3.23Å; E508-R512 WeakPolarHBondContact O-CG 3.38Å; E508-R512 PolarHBondContact O-N 3.37Å; E508-R512 IonicContact OE1-CZ 3.71Å; E508-R512 IonicContact OE1-NE 3.9Å; E508-R512 IonicContact OE1-NH1 2.77Å; E508-R512 PolarHBondContact OE1-NH1 3.01Å; E508-R512 IonicContact OE1-NH2 3.69Å; E508-R512 PolarHBondContact OE1-NH2 3.36Å; H510-R512 VanDerWaalsContact C-N 3.29Å; H510-R512 PolarHBondContact O-N 2.92Å; R512-V514 PolarHBondContact O-N 3.39Å; R512-G515 PolarHBondContact O-N 3.49Å; R512-L517 WeakPolarHBondContact CA-O 3.29Å; R512-L517 HydrophobicContact CG-CB 3.76Å
513F69.4Low64.9Low80 Ų8062.7 Ų62.735%0.35131%0.311SS..Hα-helixtrans-57.4-40177.1177.8-93.4000111.8G344 L348 K509 H510 G515G344-F513 VanDerWaalsContact O-CE2 3.26Å; G344-F513 WeakPolarHBondContact O-CE2 3.29Å; G344-F513 WeakPolarHBondContact O-CZ 3.36Å; L348-F513 HydrophobicContact CD1-CD2 4.16Å; L348-F513 HydrophobicContact CD1-CE2 3.25Å; L348-F513 HydrophobicContact CD1-CZ 3.79Å; K509-F513 WeakPolarHBondContact O-CB 3.29Å; K509-F513 PolarHBondContact O-N 2.85Å; H510-F513 WeakPolarHBondContact O-CB 3.46Å; H510-F513 PolarHBondContact O-N 3.47Å; H510-F513 VanDerWaalsContact O-N 3.13Å; F513-G515 PolarHBondContact O-N 2.84Å
514V65.4Low62.1Low10 Ų1066.5 Ų66.56%0.06134%0.343CS..THydrogen-bonded Turntrans-80.2-3.8-178.8-177.90000112F359 Y433 T436 H510 L511 R512 L516F359-V514 WeakPolarHBondContact CE1-O 3.35Å; Y433-V514 HydrophobicContact CD1-CG1 3.22Å; Y433-V514 HydrophobicContact CE1-CG1 3.23Å; Y433-V514 WeakPolarHBondContact CE1-O 3.37Å; T436-V514 HydrophobicContact CG2-CG1 4.49Å; T436-V514 WeakPolarHBondContact OG1-CG2 3.28Å; H510-V514 WeakPolarHBondContact O-CB 3.25Å; H510-V514 WeakPolarHBondContact O-CG2 3.22Å; H510-V514 PolarHBondContact O-N 2.65Å; L511-V514 PolarHBondContact O-N 3.17Å; R512-V514 PolarHBondContact O-N 3.39Å; V514-L516 HydrophobicContact CB-CD1 4.34Å; V514-L516 HydrophobicContact CB-CG 4.4Å; V514-L516 HydrophobicContact CG1-CD1 3.75Å; V514-L516 HydrophobicContact CG1-CG 3.92Å; V514-L516 PolarHBondContact O-N 3.16Å
515G62.3Low59.6Low42 Ų4270 Ų7043%0.43336%0.364SS..THydrogen-bonded Turntrans73.512.1-178.600000114.2L511 R512 F513L511-G515 PolarHBondContact O-N 3.05Å; R512-G515 PolarHBondContact O-N 3.49Å; F513-G515 PolarHBondContact O-N 2.84Å
516L62Low56.9Low36 Ų3672.1 Ų72.119%0.18838%0.379CS..SBendtrans-79.5-31176.3-69.8172.2000111.6L511 V514 W580L511-L516 HydrophobicContact CB-CB 4.31Å; L511-L516 HydrophobicContact CD2-CB 4.09Å; L511-L516 HydrophobicContact CD2-CD1 3.64Å; L511-L516 PolarHBondContact O-N 2.88Å; V514-L516 HydrophobicContact CB-CD1 4.34Å; V514-L516 HydrophobicContact CB-CG 4.4Å; V514-L516 HydrophobicContact CG1-CD1 3.75Å; V514-L516 HydrophobicContact CG1-CG 3.92Å; V514-L516 PolarHBondContact O-N 3.16Å; L516-W580 HydrophobicContact CB-CH2 4.16Å; L516-W580 HydrophobicContact CB-CZ2 3.74Å; L516-W580 HydrophobicContact CD2-CZ2 4.43Å; L516-W580 WeakPolarHBondContact O-CH2 3.38Å; L516-W580 WeakPolarHBondContact O-CZ2 3.04Å
517L57.4Low54.1Low32 Ų3276.8 Ų76.817%0.16841%0.41CS..SBendtrans-110.8120.4171.2-77.2173.3000110.1E508 L511 R512 W580 Y583E508-L517 HydrophobicContact CB-CD1 4.4Å; E508-L517 HydrophobicContact CG-CD1 3.74Å; L511-L517 HydrophobicContact CB-CB 4.23Å; L511-L517 HydrophobicContact CB-CD1 3.55Å; L511-L517 HydrophobicContact CB-CG 3.77Å; L511-L517 HydrophobicContact CD1-CD1 3.87Å; L511-L517 HydrophobicContact CD1-CG 4.31Å; L511-L517 HydrophobicContact CG-CD1 4.37Å; L511-L517 PolarHBondContact O-N 2.97Å; L511-L517 VanDerWaalsContact O-N 3.12Å; R512-L517 WeakPolarHBondContact CA-O 3.29Å; R512-L517 HydrophobicContact CG-CB 3.76Å; L517-W580 HydrophobicContact CD2-CH2 3.77Å; L517-W580 HydrophobicContact CD2-CZ3 3.69Å; L517-W580 HydrophobicContact CG-CH2 3.91Å; L517-W580 HydrophobicContact CG-CZ3 3.98Å; L517-Y583 HydrophobicContact CD1-CE2 4.31Å
518S50.2Low51.3Low74 Ų7482.9 Ų82.952%0.51745%0.449SS..  trans-84.6146.1173.873.30000111.5Q520 Y521S518-Q520 PolarHBondContact O-N 3.31Å; S518-Q520 VanDerWaalsContact O-N 3.13Å; S518-Y521 PolarHBondContact O-N 3.13Å
519T40.6Very low48.9Very low110 Ų11087 Ų8768%0.67548%0.477SS*.G310 helixtrans-63.5-11.9175.841.20000113.6Y521 K522T519-Y521 PolarHBondContact O-N 2.83Å; T519-K522 PolarHBondContact O-N 3.32Å
520Q35.6Very low46.4Very low139 Ų13986.9 Ų86.965%0.6549%0.49SS*.G310 helixtrans-70.8-8.6178.1-72.2-173.3-16.300114.2S518 K522 Q523S518-Q520 PolarHBondContact O-N 3.31Å; S518-Q520 VanDerWaalsContact O-N 3.13Å; Q520-K522 PolarHBondContact O-N 3.45Å; Q520-Q523 PolarHBondContact O-N 2.87Å
521Y32.3Very low43.7Very low119 Ų11993.6 Ų93.647%0.46753%0.526SS..G310 helixtrans-61.2-29.2173.6-168.7-106.2000113.4S518 T519 K624S518-Y521 PolarHBondContact O-N 3.13Å; T519-Y521 PolarHBondContact O-N 2.83Å; Y521-K624 WeakPolarHBondContact OH-CE 3.46Å; Y521-K624 PolarHBondContact OH-NZ 3.14Å
522K32Very low41.5Very low156 Ų15698.1 Ų98.168%0.67856%0.557SS**G310 helixtrans-84.3-9.4-175.6-85.8-171.8174.5-173.70115.5T519 Q520T519-K522 PolarHBondContact O-N 3.32Å; Q520-K522 PolarHBondContact O-N 3.45Å
523Q30.3Very low39.5Very low173 Ų173102.9 Ų102.981%0.80858%0.58SS**THydrogen-bonded Turntrans-120.3-8.3-172.8-83.5176.7-16.800114.9Q520Q520-Q523 PolarHBondContact O-N 2.87Å
524A30.3Very low37.7Very low79 Ų79108.6 Ų108.665%0.65360%0.601SS**SBendtrans-90.74-177.500000114.8
525V35.5Very low35.8Very low85 Ų85113.5 Ų113.552%0.51563%0.632SS.*SBendtrans-105.4-0.1-170.5-174.80000113.3I623V525-I623 HydrophobicContact CG1-CG2 3.71Å
526N28.5Very low34.2Very low143 Ų143116.5 Ų116.577%0.76565%0.646SS**  trans-101.128.9-176-71.9-3.1000115
527C28.6Very low32.7Very low105 Ų105121 Ų12171%0.70968%0.675SS**  trans-110.8123.8173.7-77.70000110.8V529C527-V529 PolarHBondContact O-N 2.99Å
528P24.7Very low31.2Very low129 Ų129126.8 Ų126.884%0.83870%0.704SS**  trans-72.2127.1174.531.2-30.3000108.3
529V32.3Very low30.2Very low125 Ų125130.9 Ų130.976%0.75872%0.72SS**  trans-105.4118.3172.9179.40000107.4C527C527-V529 PolarHBondContact O-N 2.99Å
530S29.2Very low29.4Very low107 Ų107130.8 Ų130.875%0.74872%0.723SS**  trans-60.8136.6-178.1410000114.1
531D23.3Very low28.9Very low145 Ų145128.8 Ų128.878%0.77573%0.73SS**  trans-41.7127.8169.6-63.6-53.6000114.3
532S27.8Very low28.5Very low94 Ų94126.9 Ų126.966%0.65775%0.748SS**  trans174.1146.7137.844.60000111
533F32.3Very low28.3Very low177 Ų177127 Ų12778%0.77675%0.75SS**  trans99.262174.5-55.2-79.3000118.1
534Y31.1Very low28Very low200 Ų200127.4 Ų127.478%0.78476%0.757SS**  62.8103.9112.4-70-63.6000120.8
535T26.2Very low27.9Very low114 Ų114129.8 Ų129.870%0.69976%0.755SS**  69.2130.9119.53.70000123.3
536S28.3Very low27.6Very low104 Ų104130.7 Ų130.773%0.72776%0.76SS**  trans76.8127.2140.462.90000116.7
537T30.1Very low27.5Very low131 Ų131130.1 Ų130.180%0.80477%0.765SS**  cis-163.1140.442.1-49.30000110.4
538I26Very low27.7Very low154 Ų154133 Ų13379%0.7977%0.772SS**  trans-78145172.7-66.4162000110
539L28.8Very low27.8Very low160 Ų160135.4 Ų135.484%0.83877%0.769SS**  trans165.1103.8143.6-88155.1000107.9
540S23.8Very low27.5Very low107 Ų107134.9 Ų134.975%0.74877%0.771SS**  94.6130.179.7-172.70000113.1
541A26Very low27.6Very low97 Ų97137.5 Ų137.580%0.80278%0.776SS**  trans72.4101.5158.800000119.9
542G24.4Very low27.8Very low80 Ų80138.1 Ų138.183%0.82578%0.779SS**  83.785123.300000118.7
543H26Very low27.7Very low157 Ų157143 Ų14373%0.72779%0.788SS**  trans-171.2116.6133.2-138.25.3000110.6Q545H543-Q545 PolarHBondContact O-N 3Å
544L25.1Very low27.6Very low182 Ų182143 Ų14395%0.95380%0.796SS**  trans-71.190.4167.2-88151.9000109.2
545Q28.7Very low27.3Very low130 Ų130139.3 Ų139.361%0.60780%0.799SS**  trans-142.1112.7164.3-75.5-172.8100110.1H543H543-Q545 PolarHBondContact O-N 3Å
546T27.6Very low27.3Very low103 Ų103136.8 Ų136.863%0.63280%0.795SS**  trans48.8127.9154.459.90000120.1
547P26.4Very low27.3Very low132 Ų132138.5 Ų138.586%0.85780%0.797SS**SBendtrans-105.983.3152.535.2-22.7000109.7
548L32.9Very low27.1Very low165 Ų165137.8 Ų137.886%0.86480%0.797SS**  trans-158.725.1158.1-111.6153.6000113.5
549K27.6Very low27.2Very low179 Ų179138.8 Ų138.878%0.77880%0.796SS**  trans-102.36.1179.3-93.7-177.1178.11760115.6
550S26.4Very low27.3Very low114 Ų114135.8 Ų135.880%0.79779%0.786SS**  trans-116.263.6178.167.50000113
551L31.2Very low27.8Very low163 Ų163136.2 Ų136.285%0.85379%0.789SS**  trans-129.734160.7-150.489.2000111.4
552N26Very low28.1Very low158 Ų158138.3 Ų138.385%0.84579%0.787SS**  trans-109.862.2170.7-81.3-11.8000109.4
553K27.3Very low28.5Very low195 Ų195137.5 Ų137.585%0.84876%0.764SS**  trans-168.160.2168.7-124.2178.1-177.6-177.10112.7
554L28.8Very low28.8Very low179 Ų179137.9 Ų137.994%0.93777%0.77SS**  trans-14470.8157.9-108.7117.5000108.5
555S24.8Very low29Very low122 Ų122134.4 Ų134.485%0.85376%0.76SS**  trans-82.8122.3159.457.10000108
556G25.8Very low29.3Very low60 Ų60132.2 Ų132.262%0.61975%0.748SS**  trans140.2124.8170.300000112.6
557D28.3Very low29.6Very low141 Ų141134.5 Ų134.575%0.75476%0.756SS**  trans89.488.2155.8-52.1-16.6000118.7
558S27.7Very low30.2Very low116 Ų116132.9 Ų132.981%0.81174%0.744SS**  trans28.592.2132.360.40000117.9
559F28.4Very low30.5Very low175 Ų175127.4 Ų127.477%0.76871%0.712SS**  trans-88.2126.3163.4-89.7-91.3000111
560P30.4Very low31.3Very low97 Ų97120.6 Ų120.663%0.6368%0.681SS**  trans-76.2149.2-178.131.7-32.9000111.6N562P560-N562 PolarHBondContact O-N 3.47Å
561S32.9Very low32.2Very low116 Ų116122.3 Ų122.381%0.81167%0.67SS**THydrogen-bonded Turntrans-60.215.1-170.551.60000118.4
562N33.1Very low33Very low141 Ų141116.5 Ų116.575%0.75464%0.638SS**THydrogen-bonded Turntrans-92.8-1179.6-85.8-17.3000114.8P560 L564P560-N562 PolarHBondContact O-N 3.47Å; N562-L564 VanDerWaalsContact C-N 3.35Å; N562-L564 PolarHBondContact O-N 3.04Å
563D32.5Very low34.3Very low63 Ų63109.8 Ų109.834%0.33761%0.605SS.*G310 helixtrans-82.9-2-177.3-75.3-30.3000114.9C565 K566D563-C565 VanDerWaalsContact C-N 3.31Å; D563-C565 PolarHBondContact O-N 2.91Å; D563-K566 WeakPolarHBondContact O-CB 3.47Å; D563-K566 PolarHBondContact O-N 2.81Å; D563-K566 VanDerWaalsContact OD1-CD 3.28Å; D563-K566 WeakPolarHBondContact OD1-CD 3.44Å; D563-K566 VanDerWaalsContact OD1-CE 3.23Å; D563-K566 WeakPolarHBondContact OD1-CE 3.49Å; D563-K566 IonicContact OD1-NZ 2.82Å; D563-K566 PolarHBondContact OD1-NZ 2.96Å
564L32.6Very low35.6Very low165 Ų165101.9 Ų101.986%0.86457%0.574SS**G310 helixtrans-72.5-21.2-177.6-134.179.3000114N562 K566N562-L564 VanDerWaalsContact C-N 3.35Å; N562-L564 PolarHBondContact O-N 3.04Å; L564-K566 VanDerWaalsContact C-N 3.35Å
565C30.1Very low37.3Very low109 Ų10994 Ų9474%0.73653%0.533SS*.G310 helixtrans-85.6-3.7175.5-92.90000113.9D563 L567 T568D563-C565 VanDerWaalsContact C-N 3.31Å; D563-C565 PolarHBondContact O-N 2.91Å; C565-L567 VanDerWaalsContact C-N 3.32Å; C565-L567 PolarHBondContact O-N 3Å; C565-T568 PolarHBondContact O-OG1 3.45Å
566K35.1Very low39.1Very low84 Ų8490.7 Ų90.737%0.36551%0.513SS..G310 helixtrans-84.9-0.3-175.1-75.3-165.9-177.3160.60114.5Y364 D563 L564Y364-K566 HydrophobicContact CD1-CB 4.26Å; Y364-K566 HydrophobicContact CD1-CD 4.17Å; Y364-K566 HydrophobicContact CD1-CG 4.3Å; Y364-K566 HydrophobicContact CE1-CB 3.45Å; Y364-K566 VanDerWaalsContact CE1-CB 3.45Å; Y364-K566 HydrophobicContact CE1-CD 3.71Å; Y364-K566 HydrophobicContact CE1-CG 3.4Å; D563-K566 WeakPolarHBondContact O-CB 3.47Å; D563-K566 PolarHBondContact O-N 2.81Å; D563-K566 VanDerWaalsContact OD1-CD 3.28Å; D563-K566 WeakPolarHBondContact OD1-CD 3.44Å; D563-K566 VanDerWaalsContact OD1-CE 3.23Å; D563-K566 WeakPolarHBondContact OD1-CE 3.49Å; D563-K566 IonicContact OD1-NZ 2.82Å; D563-K566 PolarHBondContact OD1-NZ 2.96Å; L564-K566 VanDerWaalsContact C-N 3.35Å
567L33.6Very low41.1Very low151 Ų15189.9 Ų89.979%0.79150%0.498SS*.  trans-91.59.3-169.8-143.484.4000115.3C565C565-L567 VanDerWaalsContact C-N 3.32Å; C565-L567 PolarHBondContact O-N 3Å
568T39.4Very low43.3Very low98 Ų9883.6 Ų83.660%0.60146%0.464SS*.  trans-89.5-0.1-170.1-7.30000114.7C565C565-T568 PolarHBondContact O-OG1 3.45Å
569Y38.6Very low45.6Very low49 Ų4978.2 Ų78.219%0.19243%0.426CS..THydrogen-bonded Turntrans-77.7-26.8-163.1-130.6-64.8000115Y361 Y364 Y433Y361-Y569 WeakPolarHBondContact CB-OH 3.38Å; Y361-Y569 AromaticContact CD1-CD2 3.79Å; Y361-Y569 HydrophobicContact CD1-CD2 3.79Å; Y361-Y569 HydrophobicContact CD1-CE1 4.34Å; Y361-Y569 AromaticContact CD1-CE2 2.84Å; Y361-Y569 HydrophobicContact CD1-CE2 2.84Å; Y361-Y569 AromaticContact CD1-CZ 3.18Å; Y361-Y569 WeakPolarHBondContact CD1-OH 3.3Å; Y361-Y569 HydrophobicContact CD2-CE2 4.29Å; Y361-Y569 AromaticContact CD2-CZ 3.76Å; Y361-Y569 WeakPolarHBondContact CD2-OH 2.93Å; Y361-Y569 AromaticContact CE1-CD2 3.72Å; Y361-Y569 HydrophobicContact CE1-CD2 3.72Å; Y361-Y569 HydrophobicContact CE1-CE1 4.15Å; Y361-Y569 AromaticContact CE1-CE2 3.14Å; Y361-Y569 HydrophobicContact CE1-CE2 3.14Å; Y361-Y569 HydrophobicContact CE1-CG 4.48Å; Y361-Y569 AromaticContact CE1-CZ 3.36Å; Y361-Y569 AromaticContact CE2-CZ 3.98Å; Y361-Y569 AromaticContact CG-CE2 3.44Å; Y361-Y569 HydrophobicContact CG-CE2 3.44Å; Y361-Y569 VanDerWaalsContact CG-CE2 3.44Å; Y361-Y569 AromaticContact CG-CZ 3.31Å; Y361-Y569 AromaticContact CZ-CZ 3.75Å; Y364-Y569 HydrophobicContact CD2-CD2 4.4Å; Y364-Y569 HydrophobicContact CD2-CE2 4.03Å; Y364-Y569 HydrophobicContact CE2-CE2 4.37Å; Y364-Y569 HydrophobicContact CG-CD2 4.48Å; Y364-Y569 HydrophobicContact CG-CE2 4.38Å; Y433-Y569 HydrophobicContact CD2-CD1 4.17Å; Y433-Y569 AromaticContact CD2-CE1 3.94Å; Y433-Y569 HydrophobicContact CD2-CE1 3.94Å; Y433-Y569 HydrophobicContact CE1-CE1 4.49Å; Y433-Y569 AromaticContact CE2-CD1 3.97Å; Y433-Y569 HydrophobicContact CE2-CD1 3.97Å; Y433-Y569 AromaticContact CE2-CE1 3.35Å; Y433-Y569 HydrophobicContact CE2-CE1 3.35Å; Y433-Y569 AromaticContact CZ-CE1 3.67Å; Y433-Y569 PolarHBondContact OH-OH 3.49Å
570Y44.8Very low47.8Very low36 Ų3674.6 Ų74.614%0.14141%0.408CS..THydrogen-bonded Turntrans-148.754.4173.7-89.2-83.9000109T436 A437 F572 A573 A576T436-Y570 VanDerWaalsContact CG2-OH 3.28Å; T436-Y570 WeakPolarHBondContact CG2-OH 3.15Å; A437-Y570 HydrophobicContact CB-CD1 4.07Å; A437-Y570 HydrophobicContact CB-CE1 3.73Å; Y570-F572 PolarHBondContact O-N 3.08Å; Y570-A573 HydrophobicContact CD1-CB 3.52Å; Y570-A573 HydrophobicContact CE1-CB 4.34Å; Y570-A573 HydrophobicContact CG-CB 4.23Å; Y570-A573 PolarHBondContact O-N 3.08Å; Y570-A576 HydrophobicContact CD2-CB 4.1Å; Y570-A576 HydrophobicContact CG-CB 4.23Å
571R44.5Very low49.9Very low151 Ų15172.9 Ų72.957%0.5739%0.389SS*.THydrogen-bonded Turntrans-59-17.2-175-168.4170.3-176.6175.8-0.4113.7M164M164-R571 HydrophobicContact CE-CG 4.19Å; M164-R571 HydrophobicContact SD-CG 3.84Å
572F48.8Very low52.3Low41 Ų4167.4 Ų67.418%0.1835%0.35CS..THydrogen-bonded Turntrans-117.30.1-177.3-54-76.3000114.3I91 V163 N165 I431 Y570I91-F572 HydrophobicContact CD1-CE1 3.95Å; I91-F572 HydrophobicContact CD1-CZ 4.04Å; V163-F572 HydrophobicContact CG1-CD1 3.9Å; V163-F572 HydrophobicContact CG1-CE1 3.52Å; V163-F572 WeakPolarHBondContact O-CD1 3.21Å; N165-F572 PolarHBondContact ND2-O 3.14Å; I431-F572 HydrophobicContact CD1-CD2 4.09Å; I431-F572 HydrophobicContact CD1-CE2 3.81Å; I431-F572 HydrophobicContact CD1-CZ 4.34Å; I431-F572 HydrophobicContact CG1-CE2 4.27Å; I431-F572 HydrophobicContact CG2-CD2 3.87Å; I431-F572 HydrophobicContact CG2-CE2 3.96Å; Y570-F572 PolarHBondContact O-N 3.08Å
573A52Low54.7Low17 Ų1762.5 Ų62.514%0.1432%0.321CS..  trans-103.8144.1171.900000109.6D82 A437 Y570D82-A573 WeakPolarHBondContact OD2-CA 3.46Å; A437-A573 HydrophobicContact CB-CB 4.46Å; Y570-A573 HydrophobicContact CD1-CB 3.52Å; Y570-A573 HydrophobicContact CE1-CB 4.34Å; Y570-A573 HydrophobicContact CG-CB 4.23Å; Y570-A573 PolarHBondContact O-N 3.08Å
574S55.3Low56.8Low28 Ų2862 Ų6220%0.19633%0.327CS..SBendtrans-77.5-37.6-177.363.30000112.2D82 T168 N170D82-S574 WeakPolarHBondContact OD1-CB 3.49Å; D82-S574 PolarHBondContact OD1-OG 2.94Å; D82-S574 PolarHBondContact OD2-N 3.02Å; D82-S574 PolarHBondContact OD2-OG 3.4Å; T168-S574 WeakPolarHBondContact OG1-CB 3.4Å; T168-S574 PolarHBondContact OG1-OG 3.23Å; T168-S574 VanDerWaalsContact OG1-OG 3.13Å; N170-S574 PolarHBondContact ND2-O 3.12Å; N170-S574 WeakPolarHBondContact OD1-CB 3.26Å; N170-S574 PolarHBondContact OD1-OG 3.37Å
575D64.3Low59.1Low14 Ų1454.9 Ų54.98%0.07529%0.29CS..  trans-119.296.6176-173.64.7000111.1S577 L578 R581D575-S577 PolarHBondContact O-N 3.37Å; D575-S577 WeakPolarHBondContact OD1-CB 3.35Å; D575-S577 PolarHBondContact OD1-N 2.8Å; D575-S577 PolarHBondContact OD1-OG 2.97Å; D575-L578 HydrophobicContact CB-CB 4.07Å; D575-L578 VanDerWaalsContact O-CB 3.24Å; D575-L578 WeakPolarHBondContact O-CB 2.93Å; D575-L578 PolarHBondContact O-N 3.02Å; D575-L578 VanDerWaalsContact O-N 3.17Å; D575-R581 IonicContact OD2-CZ 3.8Å; D575-R581 IonicContact OD2-NH1 3.67Å; D575-R581 PolarHBondContact OD2-NH1 3.44Å
576A62Low61.8Low53 Ų5349.7 Ų49.744%0.43826%0.255SS..THydrogen-bonded Turntrans-64.9-18.8176.700000113.2Y570Y570-A576 HydrophobicContact CD2-CB 4.1Å; Y570-A576 HydrophobicContact CG-CB 4.23Å
577S68.6Low64.1Low43 Ų4346.9 Ų46.930%0.30125%0.245SC..THydrogen-bonded Turntrans-87.2-8.9178.275.90000113.1D575 W580 R581D575-S577 PolarHBondContact O-N 3.37Å; D575-S577 WeakPolarHBondContact OD1-CB 3.35Å; D575-S577 PolarHBondContact OD1-N 2.8Å; D575-S577 PolarHBondContact OD1-OG 2.97Å; S577-W580 WeakPolarHBondContact O-CB 3.01Å; S577-W580 PolarHBondContact O-N 3.1Å; S577-R581 WeakPolarHBondContact O-CG 3.11Å; S577-R581 PolarHBondContact O-N 3.03Å; S577-R581 WeakPolarHBondContact OG-CD 3.18Å
578L73.8Confident66.6Low9 Ų944.3 Ų44.35%0.04723%0.225CC..Hα-helixtrans-55.1-45.1-171.5-169.968.3000114.1F440 Q464 I467 D575 W580 R581 V582F440-L578 HydrophobicContact CB-CD2 4.21Å; F440-L578 VanDerWaalsContact O-CD2 3.27Å; F440-L578 WeakPolarHBondContact O-CD2 3.04Å; Q464-L578 HydrophobicContact CB-CD1 4.48Å; I467-L578 HydrophobicContact CD1-CD1 4.03Å; D575-L578 HydrophobicContact CB-CB 4.07Å; D575-L578 VanDerWaalsContact O-CB 3.24Å; D575-L578 WeakPolarHBondContact O-CB 2.93Å; D575-L578 PolarHBondContact O-N 3.02Å; D575-L578 VanDerWaalsContact O-N 3.17Å; L578-W580 VanDerWaalsContact C-N 3.28Å; L578-W580 PolarHBondContact O-N 2.93Å; L578-R581 PolarHBondContact O-N 3.08Å; L578-V582 WeakPolarHBondContact O-CG2 3.34Å; L578-V582 PolarHBondContact O-N 2.96Å
579P76.7Confident68.7Low3 Ų339.7 Ų39.72%0.01920%0.197CC..Hα-helixtrans-60.5-37.8177.2-23.535.2000113.1T436 F440 L511 Y583T436-P579 HydrophobicContact CG2-CG 4.45Å; F440-P579 HydrophobicContact CB-CG 4.33Å; F440-P579 HydrophobicContact CD1-CB 4.28Å; F440-P579 HydrophobicContact CD2-CB 3.84Å; F440-P579 HydrophobicContact CD2-CG 3.74Å; F440-P579 HydrophobicContact CE1-CB 4.17Å; F440-P579 HydrophobicContact CE2-CB 3.76Å; F440-P579 HydrophobicContact CE2-CG 4.16Å; F440-P579 HydrophobicContact CG-CB 4.12Å; F440-P579 HydrophobicContact CG-CG 3.94Å; F440-P579 HydrophobicContact CZ-CB 3.93Å; L511-P579 HydrophobicContact CD2-CB 3.98Å; P579-Y583 WeakPolarHBondContact O-CB 2.94Å; P579-Y583 PolarHBondContact O-N 3.29Å; P579-Y583 VanDerWaalsContact O-N 3.07Å
580W75.4Confident70.8Confident99 Ų9937.4 Ų37.438%0.37519%0.188SC..Hα-helixtrans-72.1-37.9178.2-67.5114.7000112.3L511 L516 L517 S577 L578 Y583 A584L511-W580 HydrophobicContact CD1-CE3 4.19Å; L511-W580 HydrophobicContact CD1-CZ3 4.07Å; L516-W580 HydrophobicContact CB-CH2 4.16Å; L516-W580 HydrophobicContact CB-CZ2 3.74Å; L516-W580 HydrophobicContact CD2-CZ2 4.43Å; L516-W580 WeakPolarHBondContact O-CH2 3.38Å; L516-W580 WeakPolarHBondContact O-CZ2 3.04Å; L517-W580 HydrophobicContact CD2-CH2 3.77Å; L517-W580 HydrophobicContact CD2-CZ3 3.69Å; L517-W580 HydrophobicContact CG-CH2 3.91Å; L517-W580 HydrophobicContact CG-CZ3 3.98Å; S577-W580 WeakPolarHBondContact O-CB 3.01Å; S577-W580 PolarHBondContact O-N 3.1Å; L578-W580 VanDerWaalsContact C-N 3.28Å; L578-W580 PolarHBondContact O-N 2.93Å; W580-Y583 HydrophobicContact CE3-CD1 4.49Å; W580-Y583 PolarHBondContact O-N 2.93Å; W580-A584 VanDerWaalsContact O-CB 3.28Å; W580-A584 WeakPolarHBondContact O-CB 3.44Å; W580-A584 PolarHBondContact O-N 3.35Å
581R74.9Confident72.5Confident60 Ų6037 Ų3723%0.22619%0.189CC..Hα-helixtrans-63.5-46.4174.9-69.2174.962.8-141.2-6.5110.7Q464 I467 D575 S577 L578 Y583 A584 T585Q464-R581 VanDerWaalsContact OE1-CZ 3.23Å; I467-R581 HydrophobicContact CD1-CB 3.67Å; D575-R581 IonicContact OD2-CZ 3.8Å; D575-R581 IonicContact OD2-NH1 3.67Å; D575-R581 PolarHBondContact OD2-NH1 3.44Å; S577-R581 WeakPolarHBondContact O-CG 3.11Å; S577-R581 PolarHBondContact O-N 3.03Å; S577-R581 WeakPolarHBondContact OG-CD 3.18Å; L578-R581 PolarHBondContact O-N 3.08Å; R581-Y583 PolarHBondContact O-N 3.04Å; R581-A584 PolarHBondContact O-N 3.05Å; R581-T585 WeakPolarHBondContact O-CB 3.36Å; R581-T585 PolarHBondContact O-N 3.42Å; R581-T585 PolarHBondContact O-OG1 3.41Å
582V82.5Confident74.3Confident1 Ų132.4 Ų32.41%0.00618%0.176CC..Hα-helixtrans-58.2-47.2174.7173.50000111.1F333 F440 I466 I467 V507 L578 A584 T585 F586F333-V582 HydrophobicContact CE1-CG1 4.28Å; F333-V582 HydrophobicContact CZ-CG1 4.25Å; F440-V582 HydrophobicContact CD1-CB 4.29Å; F440-V582 HydrophobicContact CD1-CG2 4.07Å; F440-V582 HydrophobicContact CE1-CB 3.97Å; F440-V582 HydrophobicContact CE1-CG1 3.98Å; F440-V582 HydrophobicContact CE1-CG2 4.26Å; I466-V582 HydrophobicContact CG2-CG1 4.35Å; I467-V582 HydrophobicContact CD1-CG2 4.09Å; I467-V582 HydrophobicContact CG1-CG2 3.78Å; V507-V582 HydrophobicContact CG2-CG1 4.22Å; L578-V582 WeakPolarHBondContact O-CG2 3.34Å; L578-V582 PolarHBondContact O-N 2.96Å; V582-A584 PolarHBondContact O-N 3.5Å; V582-T585 PolarHBondContact O-N 3.38Å; V582-F586 HydrophobicContact CG1-CD2 3.8Å; V582-F586 HydrophobicContact CG1-CE2 3.6Å; V582-F586 VanDerWaalsContact O-CD2 3.27Å; V582-F586 WeakPolarHBondContact O-CD2 3.42Å; V582-F586 PolarHBondContact O-N 3.34Å
583Y82.9Confident76.1Confident38 Ų3830.5 Ų30.515%0.14917%0.168CC..Hα-helixtrans-59-46.8175.6174.9-98.9000112.5L504 V507 E508 L511 L517 P579 W580 R581 T585 F586 C587L504-Y583 HydrophobicContact CD1-CD2 3.81Å; L504-Y583 HydrophobicContact CD1-CE2 3.55Å; V507-Y583 HydrophobicContact CG1-CD2 4.07Å; V507-Y583 HydrophobicContact CG1-CG 4.44Å; E508-Y583 HydrophobicContact CB-CE2 4.15Å; E508-Y583 HydrophobicContact CG-CE2 4.28Å; L511-Y583 HydrophobicContact CD1-CD2 4.14Å; L511-Y583 HydrophobicContact CD1-CG 4.06Å; L517-Y583 HydrophobicContact CD1-CE2 4.31Å; P579-Y583 WeakPolarHBondContact O-CB 2.94Å; P579-Y583 PolarHBondContact O-N 3.29Å; P579-Y583 VanDerWaalsContact O-N 3.07Å; W580-Y583 HydrophobicContact CE3-CD1 4.49Å; W580-Y583 PolarHBondContact O-N 2.93Å; R581-Y583 PolarHBondContact O-N 3.04Å; Y583-T585 PolarHBondContact O-N 2.88Å; Y583-F586 PolarHBondContact O-N 2.75Å; Y583-C587 WeakPolarHBondContact O-CB 3.33Å; Y583-C587 PolarHBondContact O-N 2.55Å
584A76.7Confident77.6Confident54 Ų5429.9 Ų29.945%0.44616%0.162SC..Hα-helixtrans-63.1-40.9178.900000112W580 R581 V582 C587 W588W580-A584 VanDerWaalsContact O-CB 3.28Å; W580-A584 WeakPolarHBondContact O-CB 3.44Å; W580-A584 PolarHBondContact O-N 3.35Å; R581-A584 PolarHBondContact O-N 3.05Å; V582-A584 PolarHBondContact O-N 3.5Å; A584-C587 PolarHBondContact O-N 2.72Å; A584-W588 VanDerWaalsContact O-CB 3.31Å; A584-W588 WeakPolarHBondContact O-CB 3.45Å; A584-W588 PolarHBondContact O-N 2.69Å
585T81.4Confident78.8Confident15 Ų1531.9 Ų31.99%0.09218%0.176CC..Hα-helixtrans-64.9-43.5177.5-56.20000111.6I467 T470 E471 R581 V582 Y583 W588 A589I467-T585 HydrophobicContact CG2-CG2 4.22Å; T470-T585 HydrophobicContact CG2-CG2 3.86Å; E471-T585 HydrophobicContact CG-CG2 3.84Å; R581-T585 WeakPolarHBondContact O-CB 3.36Å; R581-T585 PolarHBondContact O-N 3.42Å; R581-T585 PolarHBondContact O-OG1 3.41Å; V582-T585 PolarHBondContact O-N 3.38Å; Y583-T585 PolarHBondContact O-N 2.88Å; T585-W588 PolarHBondContact O-N 2.69Å; T585-A589 VanDerWaalsContact O-CB 3.31Å; T585-A589 WeakPolarHBondContact O-CB 3.26Å; T585-A589 PolarHBondContact O-N 2.91Å
586F86.9Confident79.8Confident0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-62.4-44.8173.1-80.5-62.5000111.7I330 F333 I466 T470 F500 L504 V507 V582 Y583 W588 A589 V590I330-F586 HydrophobicContact CG2-CE1 4.13Å; I330-F586 HydrophobicContact CG2-CZ 4.07Å; F333-F586 HydrophobicContact CE1-CE2 4.2Å; I466-F586 HydrophobicContact CG2-CE2 3.97Å; I466-F586 HydrophobicContact CG2-CZ 3.84Å; T470-F586 HydrophobicContact CG2-CD1 3.89Å; T470-F586 HydrophobicContact CG2-CE1 4.04Å; F500-F586 HydrophobicContact CD1-CD1 4.33Å; F500-F586 HydrophobicContact CD1-CE1 4.37Å; L504-F586 HydrophobicContact CB-CB 4.27Å; L504-F586 HydrophobicContact CD1-CB 4.21Å; V507-F586 HydrophobicContact CG2-CD2 4.23Å; V507-F586 HydrophobicContact CG2-CE2 4.21Å; V582-F586 HydrophobicContact CG1-CD2 3.8Å; V582-F586 HydrophobicContact CG1-CE2 3.6Å; V582-F586 VanDerWaalsContact O-CD2 3.27Å; V582-F586 WeakPolarHBondContact O-CD2 3.42Å; V582-F586 PolarHBondContact O-N 3.34Å; Y583-F586 PolarHBondContact O-N 2.75Å; F586-W588 VanDerWaalsContact C-N 3.34Å; F586-W588 PolarHBondContact O-N 3.49Å; F586-A589 PolarHBondContact O-N 2.68Å; F586-V590 WeakPolarHBondContact O-CB 3.36Å; F586-V590 VanDerWaalsContact O-CG2 3.3Å; F586-V590 WeakPolarHBondContact O-CG2 3.43Å; F586-V590 PolarHBondContact O-N 2.95Å
587C83.4Confident80.8Confident25 Ų2532.5 Ų32.517%0.16917%0.169CC..Hα-helixtrans-59.3-44.9177.5-173.80000111.6L504 Y583 A584 T591L504-C587 HydrophobicContact CD1-CB 4.18Å; Y583-C587 WeakPolarHBondContact O-CB 3.33Å; Y583-C587 PolarHBondContact O-N 2.55Å; A584-C587 PolarHBondContact O-N 2.72Å; C587-T591 WeakPolarHBondContact O-CB 3.36Å; C587-T591 PolarHBondContact O-N 3.47Å; C587-T591 PolarHBondContact O-OG1 2.67Å
588W85.3Confident81.1Confident97 Ų9734 Ų3437%0.36717%0.174SC..Hα-helixtrans-62-47.3174.8167.985.7000111.9E471 A474 A584 T585 F586 T591 N592E471-W588 HydrophobicContact CG-CZ3 4.22Å; A474-W588 HydrophobicContact CB-CE3 4.44Å; A474-W588 HydrophobicContact CB-CH2 3.93Å; A474-W588 HydrophobicContact CB-CZ3 3.55Å; A584-W588 VanDerWaalsContact O-CB 3.31Å; A584-W588 WeakPolarHBondContact O-CB 3.45Å; A584-W588 PolarHBondContact O-N 2.69Å; T585-W588 PolarHBondContact O-N 2.69Å; F586-W588 VanDerWaalsContact C-N 3.34Å; F586-W588 PolarHBondContact O-N 3.49Å; W588-T591 PolarHBondContact O-N 3.27Å; W588-N592 PolarHBondContact NE1-ND2 3.35Å; W588-N592 WeakPolarHBondContact O-CB 3.4Å; W588-N592 PolarHBondContact O-N 2.98Å; W588-N592 PolarHBondContact O-ND2 3.42Å
589A83Confident81Confident0 Ų037.2 Ų37.20%021%0.21CC..Hα-helixtrans-62.8-45.7-179.600000111.9T470 A474 F500 T585 F586 C593T470-A589 HydrophobicContact CG2-CB 3.76Å; A474-A589 HydrophobicContact CB-CB 3.79Å; F500-A589 HydrophobicContact CD1-CB 4.39Å; F500-A589 HydrophobicContact CD2-CB 3.97Å; F500-A589 HydrophobicContact CE1-CB 4.38Å; F500-A589 HydrophobicContact CE2-CB 3.95Å; F500-A589 HydrophobicContact CG-CB 4.2Å; F500-A589 HydrophobicContact CZ-CB 4.16Å; T585-A589 VanDerWaalsContact O-CB 3.31Å; T585-A589 WeakPolarHBondContact O-CB 3.26Å; T585-A589 PolarHBondContact O-N 2.91Å; F586-A589 PolarHBondContact O-N 2.68Å; A589-C593 VanDerWaalsContact O-CB 3.24Å; A589-C593 WeakPolarHBondContact O-CB 2.99Å; A589-C593 PolarHBondContact O-N 2.78Å; A589-C593 PolarHBondContact O-SG 2.82Å
590V84.2Confident80.8Confident2 Ų239.2 Ų39.21%0.01222%0.223CC..Hα-helixtrans-60.4-53.1175.2173.10000110.2F500 L504 F586 N592 C593 L594F500-V590 HydrophobicContact CB-CG2 3.52Å; L504-V590 HydrophobicContact CD2-CG2 4.39Å; F586-V590 WeakPolarHBondContact O-CB 3.36Å; F586-V590 VanDerWaalsContact O-CG2 3.3Å; F586-V590 WeakPolarHBondContact O-CG2 3.43Å; F586-V590 PolarHBondContact O-N 2.95Å; V590-N592 PolarHBondContact O-N 2.58Å; V590-C593 PolarHBondContact O-N 2.8Å; V590-L594 HydrophobicContact CG1-CD1 3.47Å; V590-L594 VanDerWaalsContact CG1-CD1 3.47Å; V590-L594 HydrophobicContact CG1-CG 4.05Å; V590-L594 VanDerWaalsContact O-CB 3.25Å; V590-L594 WeakPolarHBondContact O-CB 3.34Å; V590-L594 WeakPolarHBondContact O-CG 3.36Å; V590-L594 PolarHBondContact O-N 2.84Å
591T80.3Confident80.4Confident26 Ų2636 Ų3616%0.1621%0.212CC..Hα-helixtrans-60.7-47.6-173.9-54.10000111.6C587 W588 S595 C621C587-T591 WeakPolarHBondContact O-CB 3.36Å; C587-T591 PolarHBondContact O-N 3.47Å; C587-T591 PolarHBondContact O-OG1 2.67Å; W588-T591 PolarHBondContact O-N 3.27Å; T591-S595 WeakPolarHBondContact O-CB 2.96Å; T591-S595 PolarHBondContact O-N 2.99Å; T591-S595 PolarHBondContact O-OG 3.37Å; T591-C621 HydrophobicContact CG2-CB 4.36Å
592N82.5Confident80Confident56 Ų5637.5 Ų37.530%0.29924%0.237SC..Hα-helixtrans-71.8-40.3-178.3-72.2-76.2000112.9L478 W588 V590 S595 Q596L478-N592 HydrophobicContact CD1-CB 3.99Å; L478-N592 HydrophobicContact CD2-CB 4.1Å; L478-N592 WeakPolarHBondContact CD2-O 3.09Å; W588-N592 PolarHBondContact NE1-ND2 3.35Å; W588-N592 WeakPolarHBondContact O-CB 3.4Å; W588-N592 PolarHBondContact O-N 2.98Å; W588-N592 PolarHBondContact O-ND2 3.42Å; V590-N592 PolarHBondContact O-N 2.58Å; N592-S595 WeakPolarHBondContact CA-OG 3.44Å; N592-S595 PolarHBondContact O-N 3Å; N592-S595 PolarHBondContact O-OG 3Å; N592-Q596 WeakPolarHBondContact O-CB 3.46Å; N592-Q596 PolarHBondContact O-N 2.82Å
593C85.1Confident79.3Confident0 Ų043.2 Ų43.20%027%0.272CS..Hα-helixtrans-69.7-36.3178.1-63.20000111.1L497 A589 V590 Y597L497-C593 HydrophobicContact CD2-CB 3.54Å; A589-C593 VanDerWaalsContact O-CB 3.24Å; A589-C593 WeakPolarHBondContact O-CB 2.99Å; A589-C593 PolarHBondContact O-N 2.78Å; A589-C593 PolarHBondContact O-SG 2.82Å; V590-C593 PolarHBondContact O-N 2.8Å; C593-Y597 WeakPolarHBondContact O-CD2 3.29Å; C593-Y597 PolarHBondContact O-N 3.37Å
594L83.9Confident78.8Confident4 Ų442.3 Ų42.32%0.02127%0.269CS..Hα-helixtrans-68.2-40175.3-69.1-179.9000112.1L497 V590 D598 F601 L614 K618L497-L594 HydrophobicContact CD1-CD2 4.36Å; L497-L594 HydrophobicContact CD2-CD2 4.17Å; V590-L594 HydrophobicContact CG1-CD1 3.47Å; V590-L594 VanDerWaalsContact CG1-CD1 3.47Å; V590-L594 HydrophobicContact CG1-CG 4.05Å; V590-L594 VanDerWaalsContact O-CB 3.25Å; V590-L594 WeakPolarHBondContact O-CB 3.34Å; V590-L594 WeakPolarHBondContact O-CG 3.36Å; V590-L594 PolarHBondContact O-N 2.84Å; L594-D598 PolarHBondContact O-N 3.42Å; L594-F601 HydrophobicContact CB-CZ 4.36Å; L594-F601 HydrophobicContact CD2-CE1 3.8Å; L594-F601 HydrophobicContact CD2-CE2 4.22Å; L594-F601 HydrophobicContact CD2-CZ 3.28Å; L594-F601 HydrophobicContact CG-CZ 4.39Å; L594-L614 HydrophobicContact CD2-CB 4.36Å; L594-L614 HydrophobicContact CD2-CD2 4.23Å; L594-K618 HydrophobicContact CD1-CB 4.29Å
595S81.9Confident78.4Confident71 Ų7145.5 Ų45.550%0.49729%0.288SS..Hα-helixtrans-68-40.6179.1650000112.2T591 N592T591-S595 WeakPolarHBondContact O-CB 2.96Å; T591-S595 PolarHBondContact O-N 2.99Å; T591-S595 PolarHBondContact O-OG 3.37Å; N592-S595 WeakPolarHBondContact CA-OG 3.44Å; N592-S595 PolarHBondContact O-N 3Å; N592-S595 PolarHBondContact O-OG 3Å
596Q83.4Confident78.1Confident78 Ų7845.9 Ų45.936%0.36429%0.29SS..Hα-helixtrans-68.3-37.6180-170.966.925.800112.9L478 Y481 N592L478-Q596 HydrophobicContact CD2-CB 3.81Å; L478-Q596 HydrophobicContact CD2-CG 4.21Å; Y481-Q596 VanDerWaalsContact CD1-NE2 3.28Å; Y481-Q596 HydrophobicContact CD2-CG 4.19Å; Y481-Q596 HydrophobicContact CG-CG 4.13Å; N592-Q596 WeakPolarHBondContact O-CB 3.46Å; N592-Q596 PolarHBondContact O-N 2.82Å
597Y83Confident77.6Confident2 Ų250 Ų501%0.00831%0.312CS..THydrogen-bonded Turntrans-99.717.9-174.8-72.5-84.6000113.9T477 Y481 L493 C593 G599 C600T477-Y597 HydrophobicContact CG2-CE2 3.82Å; T477-Y597 WeakPolarHBondContact O-CE2 3.28Å; T477-Y597 PolarHBondContact O-OH 3.15Å; Y481-Y597 HydrophobicContact CD2-CD1 4.13Å; Y481-Y597 AromaticContact CD2-CE1 3.79Å; Y481-Y597 HydrophobicContact CD2-CE1 3.79Å; Y481-Y597 PolarHBondContact N-OH 3.49Å; L493-Y597 HydrophobicContact CD1-CD2 4.13Å; L493-Y597 HydrophobicContact CD1-CE2 4.1Å; L493-Y597 HydrophobicContact CD1-CG 4.36Å; L493-Y597 HydrophobicContact CD2-CD1 3.36Å; L493-Y597 HydrophobicContact CD2-CD2 4.26Å; L493-Y597 HydrophobicContact CD2-CE1 3.63Å; L493-Y597 HydrophobicContact CD2-CG 3.69Å; C593-Y597 WeakPolarHBondContact O-CD2 3.29Å; C593-Y597 PolarHBondContact O-N 3.37Å; Y597-G599 VanDerWaalsContact C-N 3.31Å; Y597-G599 PolarHBondContact O-N 3.28Å; Y597-C600 HydrophobicContact CD1-CB 4.39Å; Y597-C600 WeakPolarHBondContact O-CB 3.24Å; Y597-C600 PolarHBondContact O-N 3.03Å
598D76Confident77.2Confident74 Ų7454.6 Ų54.640%0.39634%0.335SS..G310 helixtrans-55.7-42.9-172.9-162.622.1000113.8L594 C600 F601 K618L594-D598 PolarHBondContact O-N 3.42Å; D598-C600 PolarHBondContact O-N 3.47Å; D598-F601 WeakPolarHBondContact O-CD2 3.11Å; D598-K618 WeakPolarHBondContact OD1-CE 3.2Å; D598-K618 IonicContact OD1-NZ 2.6Å; D598-K618 PolarHBondContact OD1-NZ 2.96Å; D598-K618 IonicContact OD2-NZ 3.35Å; D598-K618 PolarHBondContact OD2-NZ 3.47Å
599G72Confident76.9Confident77 Ų7756.5 Ų56.579%0.79435%0.346SS*.G310 helixtrans-70.3-14.8177.200000114.7Y597Y597-G599 VanDerWaalsContact C-N 3.31Å; Y597-G599 PolarHBondContact O-N 3.28Å
600C72.2Confident76.6Confident44 Ų4457 Ų5730%0.29735%0.349SS..G310 helixtrans-100.2-1.3-173.7-63.20000113.4Y597 D598 A602 T603 L604Y597-C600 HydrophobicContact CD1-CB 4.39Å; Y597-C600 WeakPolarHBondContact O-CB 3.24Å; Y597-C600 PolarHBondContact O-N 3.03Å; D598-C600 PolarHBondContact O-N 3.47Å; C600-A602 PolarHBondContact O-N 3.26Å; C600-T603 PolarHBondContact O-N 3.05Å; C600-T603 VanDerWaalsContact O-N 3.14Å; C600-T603 PolarHBondContact O-OG1 3.47Å; C600-L604 PolarHBondContact O-N 2.79Å
601F67.7Low76.2Confident33 Ų3359.3 Ų59.315%0.14536%0.359CS..THydrogen-bonded Turntrans-61.9-31.1-177.7-80.4-63.8000114.1L497 L594 D598 T603 L604 L614L497-F601 HydrophobicContact CD1-CE1 3.72Å; L497-F601 HydrophobicContact CD1-CZ 4.16Å; L594-F601 HydrophobicContact CB-CZ 4.36Å; L594-F601 HydrophobicContact CD2-CE1 3.8Å; L594-F601 HydrophobicContact CD2-CE2 4.22Å; L594-F601 HydrophobicContact CD2-CZ 3.28Å; L594-F601 HydrophobicContact CG-CZ 4.39Å; D598-F601 WeakPolarHBondContact O-CD2 3.11Å; F601-T603 VanDerWaalsContact C-N 3.28Å; F601-T603 PolarHBondContact O-N 3.02Å; F601-L604 HydrophobicContact CD1-CD1 3.92Å; F601-L604 HydrophobicContact CE1-CD1 4.17Å; F601-L614 HydrophobicContact CE1-CD1 4.46Å
602A64.8Low75.9Confident91 Ų9163.6 Ų63.675%0.75238%0.377SS*.THydrogen-bonded Turntrans-64.8-33.5178.400000112.2C600C600-A602 PolarHBondContact O-N 3.26Å
603T69.4Low75.7Confident121 Ų12165.9 Ų65.974%0.74238%0.382SS*.THydrogen-bonded Turntrans-90.7-8.8-173.757.70000113.8C600 F601C600-T603 PolarHBondContact O-N 3.05Å; C600-T603 VanDerWaalsContact O-N 3.14Å; C600-T603 PolarHBondContact O-OG1 3.47Å; F601-T603 VanDerWaalsContact C-N 3.28Å; F601-T603 PolarHBondContact O-N 3.02Å
604L71.4Confident75.2Confident18 Ų1866 Ų669%0.09438%0.382CS..SBendtrans-72.5130.7179.5-73.8167.9000112.3L493 L497 C600 F601 L606 K611L493-L604 HydrophobicContact CB-CD2 3.93Å; L493-L604 HydrophobicContact CD2-CD1 4.16Å; L493-L604 HydrophobicContact CD2-CD2 3.84Å; L493-L604 HydrophobicContact CG-CD1 4.39Å; L493-L604 HydrophobicContact CG-CD2 4.01Å; L497-L604 HydrophobicContact CD1-CD1 4.27Å; C600-L604 PolarHBondContact O-N 2.79Å; F601-L604 HydrophobicContact CD1-CD1 3.92Å; F601-L604 HydrophobicContact CE1-CD1 4.17Å; L604-L606 VanDerWaalsContact C-N 3.27Å; L604-L606 HydrophobicContact CB-CD1 4.13Å; L604-L606 HydrophobicContact CB-CG 4.43Å; L604-L606 HydrophobicContact CD1-CD1 4.39Å; L604-L606 PolarHBondContact O-N 3.19Å; L604-K611 WeakPolarHBondContact O-CE 3.33Å; L604-K611 PolarHBondContact O-NZ 3.07Å
605S68.8Low74.7Confident121 Ų12171.6 Ų71.685%0.84641%0.408SS*.  trans-76.47617261.70000110.6
606L74Confident74.5Confident24 Ų2474.1 Ų74.113%0.12642%0.416CS..  trans-121.6149.8175.3-76.3165.9000109.5L498 L604 K611 L614L498-L606 HydrophobicContact CD1-CD2 3.45Å; L498-L606 VanDerWaalsContact CD1-CD2 3.45Å; L498-L606 HydrophobicContact CG-CD2 3.96Å; L604-L606 VanDerWaalsContact C-N 3.27Å; L604-L606 HydrophobicContact CB-CD1 4.13Å; L604-L606 HydrophobicContact CB-CG 4.43Å; L604-L606 HydrophobicContact CD1-CD1 4.39Å; L604-L606 PolarHBondContact O-N 3.19Å; L606-K611 HydrophobicContact CB-CD 4.45Å; L606-K611 HydrophobicContact CB-CG 3.76Å; L606-K611 WeakPolarHBondContact O-CE 3.47Å; L606-L614 HydrophobicContact CD1-CD1 3.85Å
607D78Confident73.8Confident85 Ų8572.5 Ų72.546%0.45541%0.409SS..  trans-62145.4169.862.9-56.4000110.5K609 S610 K611D607-K609 PolarHBondContact O-N 3.46Å; D607-K609 VanDerWaalsContact O-N 3.13Å; D607-S610 PolarHBondContact O-N 3.15Å; D607-S610 WeakPolarHBondContact OD1-CB 2.99Å; D607-S610 PolarHBondContact OD1-OG 3.27Å; D607-S610 PolarHBondContact OD2-N 2.98Å; D607-S610 PolarHBondContact OD2-OG 3.4Å; D607-S610 VanDerWaalsContact OD2-OG 3.11Å; D607-K611 PolarHBondContact O-N 2.94Å
608N75Confident73.2Confident123 Ų12375.3 Ų75.366%0.65842%0.421SS*.Hα-helixtrans-55.6-36-174.9-71.4-15.2000112.3K611 E612N608-K611 WeakPolarHBondContact O-CB 3Å; N608-K611 PolarHBondContact O-N 3.31Å; N608-E612 WeakPolarHBondContact O-CG 3.29Å; N608-E612 PolarHBondContact O-N 2.73Å
609K78.7Confident72.8Confident136 Ų13674 Ų7459%0.59142%0.421SS*.Hα-helixtrans-64.6-41.5177.5-176.8-179.5-179.2179.60112.5D607 R613D607-K609 PolarHBondContact O-N 3.46Å; D607-K609 VanDerWaalsContact O-N 3.13Å; K609-R613 WeakPolarHBondContact O-CB 2.98Å; K609-R613 VanDerWaalsContact O-CG 3.27Å; K609-R613 WeakPolarHBondContact O-CG 2.93Å; K609-R613 PolarHBondContact O-N 3.13Å
610S76.1Confident72.5Confident10 Ų1073.3 Ų73.37%0.0740%0.404CS..Hα-helixtrans-68-36.6174.5-64.70000112.3D607 R613 L614D607-S610 PolarHBondContact O-N 3.15Å; D607-S610 WeakPolarHBondContact OD1-CB 2.99Å; D607-S610 PolarHBondContact OD1-OG 3.27Å; D607-S610 PolarHBondContact OD2-N 2.98Å; D607-S610 PolarHBondContact OD2-OG 3.4Å; D607-S610 VanDerWaalsContact OD2-OG 3.11Å; S610-R613 PolarHBondContact O-N 3.23Å; S610-L614 WeakPolarHBondContact O-CG 3.41Å; S610-L614 PolarHBondContact O-N 3.38Å
611K75.1Confident71.8Confident51 Ų5171.8 Ų71.822%0.22239%0.394CS..Hα-helixtrans-61.4-48.4173.8-68.1-173.6177.2-172.90111.5L604 L606 D607 N608 R613 L614 Q615L604-K611 WeakPolarHBondContact O-CE 3.33Å; L604-K611 PolarHBondContact O-NZ 3.07Å; L606-K611 HydrophobicContact CB-CD 4.45Å; L606-K611 HydrophobicContact CB-CG 3.76Å; L606-K611 WeakPolarHBondContact O-CE 3.47Å; D607-K611 PolarHBondContact O-N 2.94Å; N608-K611 WeakPolarHBondContact O-CB 3Å; N608-K611 PolarHBondContact O-N 3.31Å; K611-R613 VanDerWaalsContact C-N 3.32Å; K611-R613 PolarHBondContact O-N 2.94Å; K611-L614 PolarHBondContact O-N 3.2Å; K611-Q615 WeakPolarHBondContact O-CG 3.4Å; K611-Q615 PolarHBondContact O-N 2.72Å
612E75.8Confident70.9Confident116 Ų11673.3 Ų73.354%0.54241%0.406SS..Hα-helixtrans-58.8-42.7175.6-74173.7-176.500111.9N608 L614 Q615 L616N608-E612 WeakPolarHBondContact O-CG 3.29Å; N608-E612 PolarHBondContact O-N 2.73Å; E612-L614 PolarHBondContact O-N 2.54Å; E612-Q615 PolarHBondContact O-N 2.89Å; E612-L616 WeakPolarHBondContact O-CG 3.25Å; E612-L616 PolarHBondContact O-N 3.4Å
613R77.1Confident69.8Low105 Ų10574 Ų7440%0.39640%0.396SS..Hα-helixtrans-60.2-45.3176.3-79.2172.8151.9-152.1-16.3112.8K609 S610 K611 Q615 L616 L617K609-R613 WeakPolarHBondContact O-CB 2.98Å; K609-R613 VanDerWaalsContact O-CG 3.27Å; K609-R613 WeakPolarHBondContact O-CG 2.93Å; K609-R613 PolarHBondContact O-N 3.13Å; S610-R613 PolarHBondContact O-N 3.23Å; K611-R613 VanDerWaalsContact C-N 3.32Å; K611-R613 PolarHBondContact O-N 2.94Å; R613-Q615 VanDerWaalsContact C-N 3.34Å; R613-L616 PolarHBondContact O-N 2.88Å; R613-L617 WeakPolarHBondContact O-CG 3.06Å; R613-L617 PolarHBondContact O-N 3.2Å
614L75.2Confident68.6Low3 Ų373.3 Ų73.32%0.01638%0.382CS..Hα-helixtrans-66.3-37.3177.4-68172.2000111.5L497 A501 L594 F601 L606 S610 K611 E612 L617 K618L497-L614 HydrophobicContact CB-CD1 4.13Å; L497-L614 HydrophobicContact CB-CD2 4.22Å; A501-L614 HydrophobicContact CB-CD2 3.97Å; L594-L614 HydrophobicContact CD2-CB 4.36Å; L594-L614 HydrophobicContact CD2-CD2 4.23Å; F601-L614 HydrophobicContact CE1-CD1 4.46Å; L606-L614 HydrophobicContact CD1-CD1 3.85Å; S610-L614 WeakPolarHBondContact O-CG 3.41Å; S610-L614 PolarHBondContact O-N 3.38Å; K611-L614 PolarHBondContact O-N 3.2Å; E612-L614 PolarHBondContact O-N 2.54Å; L614-L617 PolarHBondContact O-N 3.42Å; L614-K618 WeakPolarHBondContact O-CB 3.35Å; L614-K618 PolarHBondContact O-N 2.67Å
615Q73.9Confident66.9Low121 Ų12179.1 Ų79.157%0.56541%0.409SS*.Hα-helixtrans-64.3-40.5174-73175.5-9.900112.4K611 E612 R613 K618 A619K611-Q615 WeakPolarHBondContact O-CG 3.4Å; K611-Q615 PolarHBondContact O-N 2.72Å; E612-Q615 PolarHBondContact O-N 2.89Å; R613-Q615 VanDerWaalsContact C-N 3.34Å; Q615-K618 WeakPolarHBondContact O-CB 3.45Å; Q615-K618 PolarHBondContact O-N 3.29Å; Q615-A619 PolarHBondContact O-N 3.1Å
616L76.2Confident65.1Low124 Ų12479.9 Ų79.965%0.64940%0.404SS*.Hα-helixtrans-64.7-41.5174.3-72.5172.5000112.1E612 R613 A619 S620E612-L616 WeakPolarHBondContact O-CG 3.25Å; E612-L616 PolarHBondContact O-N 3.4Å; R613-L616 PolarHBondContact O-N 2.88Å; L616-A619 PolarHBondContact O-N 3.03Å; L616-S620 PolarHBondContact O-N 3.13Å
617L70.6Confident63Low43 Ų4384.6 Ų84.623%0.22544%0.436CS..Hα-helixtrans-64.1-41.8175.3-76.7172.1000111.5A501 L504 R613 L614 A619 S620 C621A501-L617 HydrophobicContact CB-CD1 3.54Å; L504-L617 HydrophobicContact CD2-CD2 4.46Å; R613-L617 WeakPolarHBondContact O-CG 3.06Å; R613-L617 PolarHBondContact O-N 3.2Å; L614-L617 PolarHBondContact O-N 3.42Å; L617-A619 PolarHBondContact O-N 3.33Å; L617-S620 PolarHBondContact O-N 3.21Å; L617-S620 PolarHBondContact O-OG 3.24Å; L617-C621 PolarHBondContact O-N 3.27Å; L617-C621 PolarHBondContact O-SG 3.46Å
618K69.7Low60.8Low61 Ų6188.1 Ų88.127%0.26547%0.467SS..Hα-helixtrans-55.7-52.9172.7-175.8-171.4177.6-168.90110.8L594 D598 L614 Q615 S620 C621 T622L594-K618 HydrophobicContact CD1-CB 4.29Å; D598-K618 WeakPolarHBondContact OD1-CE 3.2Å; D598-K618 IonicContact OD1-NZ 2.6Å; D598-K618 PolarHBondContact OD1-NZ 2.96Å; D598-K618 IonicContact OD2-NZ 3.35Å; D598-K618 PolarHBondContact OD2-NZ 3.47Å; L614-K618 WeakPolarHBondContact O-CB 3.35Å; L614-K618 PolarHBondContact O-N 2.67Å; Q615-K618 WeakPolarHBondContact O-CB 3.45Å; Q615-K618 PolarHBondContact O-N 3.29Å; K618-S620 PolarHBondContact O-N 3.17Å; K618-C621 PolarHBondContact O-N 3.01Å; K618-T622 HydrophobicContact CG-CG2 4.1Å; K618-T622 PolarHBondContact O-N 2.92Å; K618-T622 PolarHBondContact O-OG1 3.29Å
619A67Low60.1Low48 Ų4886.4 Ų86.440%0.39746%0.457SS..Hα-helixtrans-55.6-39.4178.900000111.9Q615 L616 L617 C621 T622 I623Q615-A619 PolarHBondContact O-N 3.1Å; L616-A619 PolarHBondContact O-N 3.03Å; L617-A619 PolarHBondContact O-N 3.33Å; A619-C621 VanDerWaalsContact C-N 3.32Å; A619-C621 PolarHBondContact O-N 3.42Å; A619-T622 PolarHBondContact O-OG1 3.28Å; A619-I623 WeakPolarHBondContact O-CD1 3.47Å; A619-I623 WeakPolarHBondContact O-CG1 3.47Å; A619-I623 PolarHBondContact O-N 2.84Å
620S65.8Low59.1Low61 Ų6183.7 Ų83.743%0.42745%0.45SS..Hα-helixtrans-71.1-23.1176.776.10000114.8L616 L617 K618L616-S620 PolarHBondContact O-N 3.13Å; L617-S620 PolarHBondContact O-N 3.21Å; L617-S620 PolarHBondContact O-OG 3.24Å; K618-S620 PolarHBondContact O-N 3.17Å
621C57.8Low58.1Low12 Ų1287.8 Ų87.88%0.08147%0.471CS..Hα-helixtrans-91.4-40.1179.2-63.20000112T591 L617 K618 A619 I623 K624T591-C621 HydrophobicContact CG2-CB 4.36Å; L617-C621 PolarHBondContact O-N 3.27Å; L617-C621 PolarHBondContact O-SG 3.46Å; K618-C621 PolarHBondContact O-N 3.01Å; A619-C621 VanDerWaalsContact C-N 3.32Å; A619-C621 PolarHBondContact O-N 3.42Å; C621-I623 VanDerWaalsContact C-N 3.3Å; C621-I623 PolarHBondContact O-N 3.25Å; C621-K624 WeakPolarHBondContact O-CB 3.48Å; C621-K624 PolarHBondContact O-N 3.12Å; C621-K624 VanDerWaalsContact O-N 3.11Å
622T49.7Very low57.1Low66 Ų6690 Ų9041%0.40549%0.486SS..Hα-helixtrans-67.8-25.2179.845.80000113.7K618 A619 K624 E625K618-T622 HydrophobicContact CG-CG2 4.1Å; K618-T622 PolarHBondContact O-N 2.92Å; K618-T622 PolarHBondContact O-OG1 3.29Å; A619-T622 PolarHBondContact O-OG1 3.28Å; T622-K624 PolarHBondContact O-N 3.01Å; T622-K624 VanDerWaalsContact O-N 3.14Å; T622-E625 PolarHBondContact O-N 3.33Å
623I41.5Very low56Low106 Ų10688.4 Ų88.454%0.54448%0.483SS..THydrogen-bonded Turntrans-64.4-13.8173.6-67.4166.3000111.8V525 A619 C621V525-I623 HydrophobicContact CG1-CG2 3.71Å; A619-I623 WeakPolarHBondContact O-CD1 3.47Å; A619-I623 WeakPolarHBondContact O-CG1 3.47Å; A619-I623 PolarHBondContact O-N 2.84Å; C621-I623 VanDerWaalsContact C-N 3.3Å; C621-I623 PolarHBondContact O-N 3.25Å
624K42.8Very low54.5Low105 Ų10587.3 Ų87.346%0.45749%0.488SS..THydrogen-bonded Turntrans-90.4-17.6179.4-60.3-177.1-163.9-177.60115.2Y521 C621 T622Y521-K624 WeakPolarHBondContact OH-CE 3.46Å; Y521-K624 PolarHBondContact OH-NZ 3.14Å; C621-K624 WeakPolarHBondContact O-CB 3.48Å; C621-K624 PolarHBondContact O-N 3.12Å; C621-K624 VanDerWaalsContact O-N 3.11Å; T622-K624 PolarHBondContact O-N 3.01Å; T622-K624 VanDerWaalsContact O-N 3.14Å
625E36.6Very low53.1Low141 Ų14193.3 Ų93.366%0.65952%0.522SS*.THydrogen-bonded Turntrans-105.7-9.7-172.8-73.2-176.1162.400114.1T622 P627T622-E625 PolarHBondContact O-N 3.33Å; E625-P627 WeakPolarHBondContact O-CD 3.48Å
626N30Very low51.5Low137 Ų13791.2 Ų91.273%0.73352%0.519SS*.  trans-117.490.7172.7-79.9-28.6000110.5S628N626-S628 PolarHBondContact O-N 3.17Å
627P29.7Very low49.4Very low122 Ų12288.4 Ų88.479%0.79251%0.508SS*.  trans-80.598.9157.432.3-22.6000106.5E625E625-P627 WeakPolarHBondContact O-CD 3.48Å
628S32Very low47.5Very low159 Ų15992.5 Ų92.5100%1.11253%0.534SS*.  trans-72.10152.457.50000108.1N626N626-S628 PolarHBondContact O-N 3.17Å

Retrieved 628 of 628 residues in 164.6 ms (Link to these results)

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