A0A096LWD8_POEFO Loading...

DC-STAMP domain containing 1

AlphaFold DB , UniProt , Accession A0A096LWD8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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
1M71.8Confident84.5Confident96 Ų9654.4 Ų54.447%0.47327%0.265SS..  0-61.70-68.1-52.299.100111.4M3 I4 V5 Q329 I333 V428M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.3Å; M1-I4 HydrophobicContact CE-CD1 3.77Å; M1-I4 PolarHBondContact O-N 3.18Å; M1-V5 PolarHBondContact O-N 3.45Å; M1-Q329 HydrophobicContact CE-CG 4.44Å; M1-Q329 VanDerWaalsContact CG-NE2 3.31Å; M1-Q329 HydrophobicContact SD-CG 4.16Å; M1-Q329 PolarHBondContact SD-NE2 2.97Å; M1-I333 HydrophobicContact CE-CD1 3.27Å; M1-I333 HydrophobicContact SD-CD1 3.26Å; M1-I333 WeakPolarHBondContact SD-CD1 3.31Å; M1-I333 HydrophobicContact SD-CG1 4.39Å; M1-V428 HydrophobicContact CE-CG1 3.94Å
2V78.8Confident85.2Confident40 Ų4049.8 Ų49.824%0.24224%0.243CC..Hα-helixtrans-55.7-42.3-179.3-173.50000112.9I4 V5 M6 L244 L248V2-I4 VanDerWaalsContact C-N 3.31Å; V2-I4 PolarHBondContact O-N 3.42Å; V2-V5 PolarHBondContact O-N 3.45Å; V2-M6 WeakPolarHBondContact O-CG 3.15Å; V2-M6 PolarHBondContact O-N 3.24Å; V2-M6 VanDerWaalsContact O-N 3.08Å; V2-L244 HydrophobicContact CG1-CD1 3.67Å; V2-L244 HydrophobicContact CG1-CD2 4.25Å; V2-L244 HydrophobicContact CG1-CG 3.64Å; V2-L248 HydrophobicContact CB-CD1 3.89Å; V2-L248 HydrophobicContact CB-CG 4.48Å; V2-L248 HydrophobicContact CG1-CB 4Å; V2-L248 HydrophobicContact CG1-CD1 3.67Å; V2-L248 HydrophobicContact CG1-CG 4.24Å
3M81.3Confident85.6Confident113 Ų11350.8 Ų50.856%0.55725%0.249SC*.Hα-helixtrans-58-38.2175.7-174.6-160.1-86.200113.4M1 M6 I7M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.3Å; M3-M6 WeakPolarHBondContact O-CB 3.47Å; M3-M6 PolarHBondContact O-N 2.87Å; M3-I7 HydrophobicContact CG-CD1 4.05Å; M3-I7 WeakPolarHBondContact O-CG1 3.49Å; M3-I7 PolarHBondContact O-N 3.41Å; M3-I7 VanDerWaalsContact O-N 3.12Å
4I83.9Confident85.9Confident9 Ų948.8 Ų48.85%0.04624%0.242CC..Hα-helixtrans-72.3-42.3-179.5-68.4157.4000110.8M1 V2 M6 I7 L8 I333 C424 V428M1-I4 HydrophobicContact CE-CD1 3.77Å; M1-I4 PolarHBondContact O-N 3.18Å; V2-I4 VanDerWaalsContact C-N 3.31Å; V2-I4 PolarHBondContact O-N 3.42Å; I4-M6 PolarHBondContact O-N 3.45Å; I4-I7 PolarHBondContact O-N 2.85Å; I4-I7 VanDerWaalsContact O-N 3.14Å; I4-L8 HydrophobicContact CG2-CD1 3.78Å; I4-L8 HydrophobicContact CG2-CG 4.11Å; I4-L8 WeakPolarHBondContact O-CB 3.39Å; I4-L8 WeakPolarHBondContact O-CG 3.38Å; I4-L8 PolarHBondContact O-N 3.32Å; I4-I333 HydrophobicContact CD1-CD1 4.13Å; I4-I333 HydrophobicContact CD1-CG2 3.96Å; I4-I333 HydrophobicContact CG2-CG2 3.72Å; I4-C424 HydrophobicContact CG1-CB 4.23Å; I4-V428 HydrophobicContact CD1-CB 4.26Å; I4-V428 HydrophobicContact CD1-CG1 4.5Å; I4-V428 HydrophobicContact CD1-CG2 3.46Å; I4-V428 VanDerWaalsContact CD1-CG2 3.46Å; I4-V428 HydrophobicContact CG1-CG2 4.28Å
5V84.1Confident86.3Confident79 Ų7946 Ų4648%0.47923%0.229SC..Hα-helixtrans-58.4-39.5175.9177.30000110.3M1 V2 Y9 L244M1-V5 PolarHBondContact O-N 3.45Å; V2-V5 PolarHBondContact O-N 3.45Å; V5-Y9 VanDerWaalsContact O-CB 3.29Å; V5-Y9 WeakPolarHBondContact O-CB 3.45Å; V5-Y9 PolarHBondContact O-N 3.15Å; V5-L244 HydrophobicContact CB-CD2 4.18Å; V5-L244 HydrophobicContact CG1-CD2 3.71Å
6M85.8Confident86.7Confident16 Ų1645.6 Ų45.68%0.07923%0.227CC..Hα-helixtrans-62.5-44.3174.6-73.8-65.9-152.900113.8V2 M3 I4 Y9 R10 V241 L244 Q245V2-M6 WeakPolarHBondContact O-CG 3.15Å; V2-M6 PolarHBondContact O-N 3.24Å; V2-M6 VanDerWaalsContact O-N 3.08Å; M3-M6 WeakPolarHBondContact O-CB 3.47Å; M3-M6 PolarHBondContact O-N 2.87Å; I4-M6 PolarHBondContact O-N 3.45Å; M6-Y9 PolarHBondContact O-N 3.36Å; M6-R10 WeakPolarHBondContact O-CB 3.41Å; M6-R10 PolarHBondContact O-N 3.19Å; M6-V241 HydrophobicContact CE-CG1 4.03Å; M6-V241 WeakPolarHBondContact CE-O 3.37Å; M6-V241 HydrophobicContact SD-CG1 3.68Å; M6-L244 HydrophobicContact CE-CB 3.85Å; M6-L244 HydrophobicContact CE-CD2 4.21Å; M6-L244 HydrophobicContact CE-CG 4.01Å; M6-L244 HydrophobicContact CG-CD2 4.17Å; M6-L244 HydrophobicContact SD-CD2 3.99Å; M6-L244 HydrophobicContact SD-CG 4.44Å; M6-Q245 HydrophobicContact CE-CB 3.45Å; M6-Q245 VanDerWaalsContact CE-CB 3.45Å; M6-Q245 HydrophobicContact CE-CG 4.25Å
7I88.4Confident86.9Confident36 Ų3644.5 Ų44.519%0.18522%0.22CC..Hα-helixtrans-69.8-40.8-179.6-72.2163.4000110.6M3 I4 Y9 G11 S420 C424M3-I7 HydrophobicContact CG-CD1 4.05Å; M3-I7 WeakPolarHBondContact O-CG1 3.49Å; M3-I7 PolarHBondContact O-N 3.41Å; M3-I7 VanDerWaalsContact O-N 3.12Å; I4-I7 PolarHBondContact O-N 2.85Å; I4-I7 VanDerWaalsContact O-N 3.14Å; I7-Y9 VanDerWaalsContact C-N 3.3Å; I7-Y9 PolarHBondContact O-N 3.14Å; I7-G11 WeakPolarHBondContact O-CA 3.33Å; I7-G11 PolarHBondContact O-N 3.37Å; I7-S420 WeakPolarHBondContact CG2-OG 3.5Å; I7-C424 HydrophobicContact CD1-CB 4.16Å; I7-C424 WeakPolarHBondContact CD1-SG 3.49Å
8L89.4Confident87Confident9 Ų950.5 Ų50.55%0.04724%0.24CC..Hα-helixtrans-63.3-38.3173.6-69.3174.5000111.7I4 P12 I13 L336 L340I4-L8 HydrophobicContact CG2-CD1 3.78Å; I4-L8 HydrophobicContact CG2-CG 4.11Å; I4-L8 WeakPolarHBondContact O-CB 3.39Å; I4-L8 WeakPolarHBondContact O-CG 3.38Å; I4-L8 PolarHBondContact O-N 3.32Å; L8-P12 HydrophobicContact CD2-CG 4.21Å; L8-P12 VanDerWaalsContact O-CD 3.25Å; L8-P12 WeakPolarHBondContact O-CD 3.29Å; L8-P12 WeakPolarHBondContact O-CG 3.43Å; L8-I13 HydrophobicContact CB-CD1 4.49Å; L8-I13 WeakPolarHBondContact O-CB 3.24Å; L8-I13 WeakPolarHBondContact O-CG1 3.42Å; L8-I13 PolarHBondContact O-N 3.29Å; L8-I13 VanDerWaalsContact O-N 3.13Å; L8-L336 HydrophobicContact CD1-CD2 4.26Å; L8-L340 HydrophobicContact CB-CD1 4.29Å; L8-L340 HydrophobicContact CD1-CD1 4.2Å; L8-L340 HydrophobicContact CD2-CD1 4.16Å; L8-L340 HydrophobicContact CG-CD1 4.45Å
9Y88.3Confident87.3Confident36 Ų3647.9 Ų47.914%0.14123%0.228CC..Iπ-helixtrans-65.7-53.6175.8-177-84.5000111.9V5 M6 I7 G11 I13 S14 M237 V241V5-Y9 VanDerWaalsContact O-CB 3.29Å; V5-Y9 WeakPolarHBondContact O-CB 3.45Å; V5-Y9 PolarHBondContact O-N 3.15Å; M6-Y9 PolarHBondContact O-N 3.36Å; I7-Y9 VanDerWaalsContact C-N 3.3Å; I7-Y9 PolarHBondContact O-N 3.14Å; Y9-G11 VanDerWaalsContact C-N 3.29Å; Y9-G11 PolarHBondContact O-N 3.22Å; Y9-I13 HydrophobicContact CD2-CG2 4.19Å; Y9-I13 HydrophobicContact CE2-CG2 4.45Å; Y9-S14 VanDerWaalsContact O-CB 3.27Å; Y9-S14 WeakPolarHBondContact O-CB 3.46Å; Y9-S14 PolarHBondContact O-N 3.33Å; Y9-M237 HydrophobicContact CE2-CB 4Å; Y9-M237 WeakPolarHBondContact OH-CB 3.47Å; Y9-V241 HydrophobicContact CD1-CG2 3.32Å; Y9-V241 HydrophobicContact CD2-CG2 3.99Å; Y9-V241 HydrophobicContact CE1-CB 4.49Å; Y9-V241 HydrophobicContact CE1-CG2 3.27Å; Y9-V241 HydrophobicContact CE2-CG2 3.89Å; Y9-V241 HydrophobicContact CG-CG2 3.7Å
10R87.7Confident87.5Confident157 Ų15747.8 Ų47.859%0.59224%0.235SC*.Iπ-helixtrans-71.3-21.7-177.6-73.3-172.6176.8153.33.5113.8M6M6-R10 WeakPolarHBondContact O-CB 3.41Å; M6-R10 PolarHBondContact O-N 3.19Å
11G90.3Very high87.6Confident7 Ų747.6 Ų47.67%0.07223%0.234CC..Iπ-helixtrans-91.8-106.6176.700000111.7I7 Y9 I13 S14 N15I7-G11 WeakPolarHBondContact O-CA 3.33Å; I7-G11 PolarHBondContact O-N 3.37Å; Y9-G11 VanDerWaalsContact C-N 3.29Å; Y9-G11 PolarHBondContact O-N 3.22Å; G11-I13 PolarHBondContact O-N 3.27Å; G11-S14 PolarHBondContact O-N 3.15Å; G11-N15 PolarHBondContact O-N 2.64Å; G11-N15 VanDerWaalsContact O-N 3.17Å
12P92.3Very high88.4Confident0 Ų044 Ų440%022%0.219CC..Iπ-helixtrans-60.2-42.1-170.521.8-32.5000113.5L8 S14 N15 M16 L340 L341 D344 L413L8-P12 HydrophobicContact CD2-CG 4.21Å; L8-P12 VanDerWaalsContact O-CD 3.25Å; L8-P12 WeakPolarHBondContact O-CD 3.29Å; L8-P12 WeakPolarHBondContact O-CG 3.43Å; P12-S14 PolarHBondContact O-N 3.13Å; P12-N15 PolarHBondContact O-N 3.22Å; P12-M16 WeakPolarHBondContact O-CB 3.42Å; P12-M16 WeakPolarHBondContact O-CG 3.33Å; P12-M16 PolarHBondContact O-N 3.22Å; P12-L340 HydrophobicContact CB-CB 4.37Å; P12-L340 HydrophobicContact CG-CB 4.23Å; P12-L341 HydrophobicContact CB-CD2 4.15Å; P12-L341 HydrophobicContact CG-CD2 4.2Å; P12-D344 HydrophobicContact CB-CB 4.24Å; P12-L413 HydrophobicContact CB-CD2 4.45Å
13I90.9Very high88.9Confident63 Ų6343.7 Ų43.732%0.32322%0.221SC..Iπ-helixtrans-65.6-44.9-175.2-62.4172.6000111.2L8 Y9 G11 N15 M16 E17 L340L8-I13 HydrophobicContact CB-CD1 4.49Å; L8-I13 WeakPolarHBondContact O-CB 3.24Å; L8-I13 WeakPolarHBondContact O-CG1 3.42Å; L8-I13 PolarHBondContact O-N 3.29Å; L8-I13 VanDerWaalsContact O-N 3.13Å; Y9-I13 HydrophobicContact CD2-CG2 4.19Å; Y9-I13 HydrophobicContact CE2-CG2 4.45Å; G11-I13 PolarHBondContact O-N 3.27Å; I13-N15 VanDerWaalsContact C-N 3.32Å; I13-N15 PolarHBondContact O-N 3.44Å; I13-M16 PolarHBondContact O-N 3.27Å; I13-E17 PolarHBondContact O-N 3.25Å; I13-L340 HydrophobicContact CD1-CD1 4.14Å; I13-L340 HydrophobicContact CG1-CD1 4.24Å; I13-L340 HydrophobicContact CG1-CD2 4.36Å
14S89.9Confident89.3Confident22 Ų2239.6 Ų39.615%0.15421%0.205CC..Hα-helixtrans-65.9-34.9177.2-176.60000112.3Y9 G11 P12 E17 R18Y9-S14 VanDerWaalsContact O-CB 3.27Å; Y9-S14 WeakPolarHBondContact O-CB 3.46Å; Y9-S14 PolarHBondContact O-N 3.33Å; G11-S14 PolarHBondContact O-N 3.15Å; P12-S14 PolarHBondContact O-N 3.13Å; S14-E17 PolarHBondContact O-N 3.38Å; S14-R18 WeakPolarHBondContact O-CG 3.3Å; S14-R18 PolarHBondContact O-N 3.11Å; S14-R18 VanDerWaalsContact O-N 3.11Å
15N92.1Very high89.5Confident7 Ų740.1 Ų40.14%0.03721%0.208CC..Hα-helixtrans-68.6-42.3175.2-167.662.8000111.8G11 P12 I13 E17 R18 N19 D344 S411 L413G11-N15 PolarHBondContact O-N 2.64Å; G11-N15 VanDerWaalsContact O-N 3.17Å; P12-N15 PolarHBondContact O-N 3.22Å; I13-N15 VanDerWaalsContact C-N 3.32Å; I13-N15 PolarHBondContact O-N 3.44Å; N15-E17 VanDerWaalsContact C-N 3.32Å; N15-E17 PolarHBondContact O-N 3.41Å; N15-R18 PolarHBondContact O-N 3.08Å; N15-N19 PolarHBondContact ND2-ND2 3.07Å; N15-N19 WeakPolarHBondContact O-CB 3.41Å; N15-N19 PolarHBondContact O-N 3.32Å; N15-N19 PolarHBondContact O-ND2 3.37Å; N15-D344 PolarHBondContact ND2-OD1 3.24Å; N15-D344 PolarHBondContact ND2-OD2 2.99Å; N15-S411 PolarHBondContact ND2-O 3.44Å; N15-S411 VanDerWaalsContact ND2-O 3.11Å; N15-S411 WeakPolarHBondContact OD1-CB 3.34Å; N15-S411 PolarHBondContact OD1-O 3.24Å; N15-S411 PolarHBondContact OD1-OG 2.72Å; N15-L413 HydrophobicContact CB-CD1 3.62Å
16M91.8Very high89.7Confident40 Ų4037.5 Ų37.520%0.19719%0.193CC..Hα-helixtrans-58.8-42172.7-70.4172.757.500111.9P12 I13 N19 A20 I343 D344 L347P12-M16 WeakPolarHBondContact O-CB 3.42Å; P12-M16 WeakPolarHBondContact O-CG 3.33Å; P12-M16 PolarHBondContact O-N 3.22Å; I13-M16 PolarHBondContact O-N 3.27Å; M16-N19 PolarHBondContact O-N 2.93Å; M16-A20 VanDerWaalsContact O-CB 3.28Å; M16-A20 WeakPolarHBondContact O-CB 3.24Å; M16-A20 PolarHBondContact O-N 3.21Å; M16-I343 HydrophobicContact CE-CB 4.26Å; M16-I343 HydrophobicContact CE-CG2 3.38Å; M16-I343 HydrophobicContact SD-CB 4.4Å; M16-I343 HydrophobicContact SD-CG2 4.06Å; M16-D344 HydrophobicContact CG-CB 3.78Å; M16-D344 WeakPolarHBondContact CG-OD1 3.43Å; M16-D344 HydrophobicContact SD-CB 4.18Å; M16-L347 HydrophobicContact CB-CD1 4.33Å; M16-L347 HydrophobicContact CE-CD1 3.81Å; M16-L347 HydrophobicContact CG-CD1 3.99Å
17E90Very high89.7Confident26 Ų2642.3 Ų42.312%0.12122%0.218CC..Hα-helixtrans-62.3-46.4177.2-172.5-178.6178.200111.7I13 S14 N15 N19 A20 E21 T234I13-E17 PolarHBondContact O-N 3.25Å; S14-E17 PolarHBondContact O-N 3.38Å; N15-E17 VanDerWaalsContact C-N 3.32Å; N15-E17 PolarHBondContact O-N 3.41Å; E17-N19 VanDerWaalsContact C-N 3.35Å; E17-N19 PolarHBondContact O-N 2.99Å; E17-A20 PolarHBondContact O-N 3.09Å; E17-E21 WeakPolarHBondContact O-CB 3.45Å; E17-E21 PolarHBondContact O-N 2.64Å; E17-T234 WeakPolarHBondContact OE1-CA 3.47Å; E17-T234 VanDerWaalsContact OE1-CB 3.23Å; E17-T234 WeakPolarHBondContact OE1-CB 3.32Å; E17-T234 PolarHBondContact OE1-N 3.08Å; E17-T234 PolarHBondContact OE1-OG1 2.88Å
18R89.9Confident89.6Confident153 Ų15340.8 Ų40.858%0.57721%0.211SC*.Hα-helixtrans-62-42.1176-71175.5-173.51772.6112.3S14 N15 E21 A22S14-R18 WeakPolarHBondContact O-CG 3.3Å; S14-R18 PolarHBondContact O-N 3.11Å; S14-R18 VanDerWaalsContact O-N 3.11Å; N15-R18 PolarHBondContact O-N 3.08Å; R18-E21 PolarHBondContact O-N 3.03Å; R18-A22 VanDerWaalsContact O-CB 3.31Å; R18-A22 WeakPolarHBondContact O-CB 3.26Å; R18-A22 PolarHBondContact O-N 2.71Å
19N92.3Very high89.5Confident2 Ų242 Ų421%0.01122%0.22CC..Hα-helixtrans-66.6-38.5177.2-80.3-22.5000111.8N15 M16 E17 A23 L351 S411N15-N19 PolarHBondContact ND2-ND2 3.07Å; N15-N19 WeakPolarHBondContact O-CB 3.41Å; N15-N19 PolarHBondContact O-N 3.32Å; N15-N19 PolarHBondContact O-ND2 3.37Å; M16-N19 PolarHBondContact O-N 2.93Å; E17-N19 VanDerWaalsContact C-N 3.35Å; E17-N19 PolarHBondContact O-N 2.99Å; N19-A23 VanDerWaalsContact O-CB 3.26Å; N19-A23 WeakPolarHBondContact O-CB 3.47Å; N19-A23 PolarHBondContact O-N 2.7Å; N19-L351 HydrophobicContact CB-CD1 3.71Å; N19-S411 PolarHBondContact ND2-O 2.93Å; N19-S411 WeakPolarHBondContact OD1-CB 3.42Å; N19-S411 PolarHBondContact OD1-N 2.97Å; N19-S411 PolarHBondContact OD1-O 3.25Å
20A90.7Very high89.3Confident45 Ų4542.3 Ų42.337%0.37222%0.224SC..Hα-helixtrans-66.7-42174.500000112M16 E17 A23 A24 F230M16-A20 VanDerWaalsContact O-CB 3.28Å; M16-A20 WeakPolarHBondContact O-CB 3.24Å; M16-A20 PolarHBondContact O-N 3.21Å; E17-A20 PolarHBondContact O-N 3.09Å; A20-A23 PolarHBondContact O-N 2.94Å; A20-A24 VanDerWaalsContact O-CB 3.32Å; A20-A24 WeakPolarHBondContact O-CB 3.41Å; A20-A24 PolarHBondContact O-N 2.88Å; A20-F230 HydrophobicContact CB-CE1 4.33Å
21E90Very high89.2Confident43 Ų4338.4 Ų38.420%0.20121%0.214CC..Hα-helixtrans-61.4-50.2173.9-177.6-177.7-175.100110.6E17 R18 A23 A24 L25 F230E17-E21 WeakPolarHBondContact O-CB 3.45Å; E17-E21 PolarHBondContact O-N 2.64Å; R18-E21 PolarHBondContact O-N 3.03Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 3.49Å; E21-A24 PolarHBondContact O-N 3.04Å; E21-L25 HydrophobicContact CG-CD1 3.93Å; E21-L25 HydrophobicContact CG-CG 4.33Å; E21-L25 WeakPolarHBondContact O-CB 3.43Å; E21-L25 VanDerWaalsContact O-CG 3.28Å; E21-L25 WeakPolarHBondContact O-CG 3.49Å; E21-L25 PolarHBondContact O-N 2.91Å; E21-F230 HydrophobicContact CB-CB 4.39Å; E21-F230 HydrophobicContact CB-CD1 3.89Å; E21-F230 HydrophobicContact CB-CE1 4.32Å; E21-F230 HydrophobicContact CB-CG 4.04Å; E21-F230 HydrophobicContact CG-CB 3.91Å; E21-F230 HydrophobicContact CG-CD1 4.33Å; E21-F230 HydrophobicContact CG-CD2 4.41Å; E21-F230 HydrophobicContact CG-CG 3.97Å
22A88.6Confident88.9Confident21 Ų2139.4 Ų39.417%0.17422%0.218CC..Hα-helixtrans-58.6-42.2178.100000112.3R18 S26R18-A22 VanDerWaalsContact O-CB 3.31Å; R18-A22 WeakPolarHBondContact O-CB 3.26Å; R18-A22 PolarHBondContact O-N 2.71Å; A22-S26 VanDerWaalsContact O-CB 3.32Å; A22-S26 WeakPolarHBondContact O-CB 3.49Å; A22-S26 PolarHBondContact O-N 3.48Å
23A89.9Confident88.4Confident34 Ų3440.8 Ų40.828%0.28123%0.226SC..Hα-helixtrans-64.6-44.7176.300000112.1N19 A20 E21 S26 L27 L351N19-A23 VanDerWaalsContact O-CB 3.26Å; N19-A23 WeakPolarHBondContact O-CB 3.47Å; N19-A23 PolarHBondContact O-N 2.7Å; A20-A23 PolarHBondContact O-N 2.94Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 3.49Å; A23-S26 PolarHBondContact O-N 3.17Å; A23-L27 WeakPolarHBondContact O-CB 3.19Å; A23-L27 PolarHBondContact O-N 3.33Å; A23-L351 HydrophobicContact CB-CD1 4.36Å; A23-L351 HydrophobicContact CB-CD2 3.52Å
24A89.1Confident88.1Confident27 Ų2743.6 Ų43.622%0.22324%0.237CC..Hα-helixtrans-65.8-40.117900000112A20 E21 L27 S28 V226 F230A20-A24 VanDerWaalsContact O-CB 3.32Å; A20-A24 WeakPolarHBondContact O-CB 3.41Å; A20-A24 PolarHBondContact O-N 2.88Å; E21-A24 PolarHBondContact O-N 3.04Å; A24-L27 PolarHBondContact O-N 2.92Å; A24-S28 WeakPolarHBondContact O-CB 3.41Å; A24-S28 PolarHBondContact O-N 3.09Å; A24-S28 PolarHBondContact O-OG 2.92Å; A24-V226 HydrophobicContact CB-CG1 3.73Å; A24-F230 HydrophobicContact CB-CD2 4.42Å; A24-F230 HydrophobicContact CB-CE2 3.47Å; A24-F230 VanDerWaalsContact CB-CE2 3.47Å; A24-F230 HydrophobicContact CB-CZ 3.87Å
25L87.9Confident87.7Confident20 Ų2045.1 Ų45.111%0.10525%0.245CC..Hα-helixtrans-67.5-38.7174.9-68.4176.9000112.4E21 S28 C29 T223 V226 R227E21-L25 HydrophobicContact CG-CD1 3.93Å; E21-L25 HydrophobicContact CG-CG 4.33Å; E21-L25 WeakPolarHBondContact O-CB 3.43Å; E21-L25 VanDerWaalsContact O-CG 3.28Å; E21-L25 WeakPolarHBondContact O-CG 3.49Å; E21-L25 PolarHBondContact O-N 2.91Å; L25-S28 WeakPolarHBondContact CA-OG 3.35Å; L25-S28 PolarHBondContact O-OG 3.11Å; L25-S28 VanDerWaalsContact O-OG 3.07Å; L25-C29 WeakPolarHBondContact O-CB 3.49Å; L25-C29 PolarHBondContact O-N 3.06Å; L25-T223 HydrophobicContact CD2-CG2 3.84Å; L25-T223 WeakPolarHBondContact CD2-O 3.33Å; L25-V226 HydrophobicContact CD2-CG1 4.29Å; L25-R227 HydrophobicContact CD2-CB 3.87Å; L25-R227 HydrophobicContact CD2-CG 4.48Å
26S87.8Confident87.2Confident23 Ų2350.4 Ų50.416%0.16127%0.27CS..Hα-helixtrans-63.1-44173.8179.90000111A22 A23 N30 C406A22-S26 VanDerWaalsContact O-CB 3.32Å; A22-S26 WeakPolarHBondContact O-CB 3.49Å; A22-S26 PolarHBondContact O-N 3.48Å; A23-S26 PolarHBondContact O-N 3.17Å; S26-N30 PolarHBondContact O-N 2.97Å; S26-N30 VanDerWaalsContact O-N 3.11Å; S26-N30 PolarHBondContact O-ND2 3.46Å; S26-C406 VanDerWaalsContact CA-O 3.29Å; S26-C406 WeakPolarHBondContact CA-O 3.47Å; S26-C406 VanDerWaalsContact CB-O 3.3Å; S26-C406 WeakPolarHBondContact CB-O 3.19Å; S26-C406 PolarHBondContact OG-O 2.98Å
27L87.1Confident86.7Confident117 Ų11749.9 Ų49.961%0.61327%0.267SS*.Hα-helixtrans-64.8-47.6178.6-171.2111.4000111.5A23 A24 C29 N30 L31A23-L27 WeakPolarHBondContact O-CB 3.19Å; A23-L27 PolarHBondContact O-N 3.33Å; A24-L27 PolarHBondContact O-N 2.92Å; L27-C29 PolarHBondContact O-N 2.66Å; L27-N30 PolarHBondContact O-N 3.32Å; L27-L31 HydrophobicContact CD2-CD1 4.06Å; L27-L31 WeakPolarHBondContact O-CG 3.39Å; L27-L31 PolarHBondContact O-N 3.01Å
28S86.1Confident86.3Confident4 Ų451.8 Ų51.83%0.02828%0.283CS..Hα-helixtrans-64.5-40.2179.654.50000112.6A24 L25 N30 L31 D32 T223A24-S28 WeakPolarHBondContact O-CB 3.41Å; A24-S28 PolarHBondContact O-N 3.09Å; A24-S28 PolarHBondContact O-OG 2.92Å; L25-S28 WeakPolarHBondContact CA-OG 3.35Å; L25-S28 PolarHBondContact O-OG 3.11Å; L25-S28 VanDerWaalsContact O-OG 3.07Å; S28-N30 VanDerWaalsContact C-N 3.34Å; S28-N30 PolarHBondContact O-N 3.19Å; S28-L31 WeakPolarHBondContact O-CB 3.39Å; S28-L31 PolarHBondContact O-N 3.28Å; S28-L31 VanDerWaalsContact O-N 3.15Å; S28-D32 VanDerWaalsContact O-CG 3.3Å; S28-D32 PolarHBondContact O-N 3.43Å; S28-D32 VanDerWaalsContact O-OD2 3.11Å; S28-T223 WeakPolarHBondContact OG-CA 3.3Å; S28-T223 PolarHBondContact OG-OG1 3.5Å
29C86.6Confident86Confident34 Ų3449 Ų4923%0.2327%0.273CS..Hα-helixtrans-63.1-38.6174.9-178.50000112.4L25 L27 D32 L33 T223 C406L25-C29 WeakPolarHBondContact O-CB 3.49Å; L25-C29 PolarHBondContact O-N 3.06Å; L27-C29 PolarHBondContact O-N 2.66Å; C29-D32 PolarHBondContact O-N 3.03Å; C29-L33 WeakPolarHBondContact O-CB 3.33Å; C29-L33 PolarHBondContact O-N 3.13Å; C29-T223 WeakPolarHBondContact CA-OG1 3.38Å; C29-T223 PolarHBondContact N-OG1 3.05Å; C29-C406 HydrophobicContact CB-CB 3.54Å; C29-C406 WeakPolarHBondContact CB-SG 3.22Å; C29-C406 PolarHBondContact O-SG 3.03Å; C29-C406 WeakPolarHBondContact SG-CA 3.3Å; C29-C406 WeakPolarHBondContact SG-CB 3.08Å; C29-C406 CovalentContact SG-SG 2.04Å; C29-C406 PolarHBondContact SG-SG 3.42Å
30N85.4Confident85.4Confident43 Ų4351.5 Ų51.523%0.2329%0.288CS..Hα-helixtrans-66.3-37.6173.7-82.1-83000112S26 L27 S28 L33 Q34 N403S26-N30 PolarHBondContact O-N 2.97Å; S26-N30 VanDerWaalsContact O-N 3.11Å; S26-N30 PolarHBondContact O-ND2 3.46Å; L27-N30 PolarHBondContact O-N 3.32Å; S28-N30 VanDerWaalsContact C-N 3.34Å; S28-N30 PolarHBondContact O-N 3.19Å; N30-L33 PolarHBondContact O-N 2.94Å; N30-Q34 WeakPolarHBondContact O-CB 3.32Å; N30-Q34 PolarHBondContact O-N 3.2Å; N30-N403 WeakPolarHBondContact OD1-CB 3.3Å; N30-N403 PolarHBondContact OD1-ND2 3.31Å
31L85Confident85Confident75 Ų7553.9 Ų53.939%0.39329%0.294SS..Hα-helixtrans-64.9-43.1173.9-69.6171.3000111.5L27 S28 L33 Q34 V35L27-L31 HydrophobicContact CD2-CD1 4.06Å; L27-L31 WeakPolarHBondContact O-CG 3.39Å; L27-L31 PolarHBondContact O-N 3.01Å; S28-L31 WeakPolarHBondContact O-CB 3.39Å; S28-L31 PolarHBondContact O-N 3.28Å; S28-L31 VanDerWaalsContact O-N 3.15Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.35Å; L31-Q34 PolarHBondContact O-N 3.41Å; L31-V35 WeakPolarHBondContact O-CG2 3.4Å; L31-V35 PolarHBondContact O-N 3.29Å
32D83.6Confident84.7Confident29 Ų2959.5 Ų59.516%0.15531%0.313CS..Hα-helixtrans-59.2-45.2175.5-70.8-44.3000110.8S28 C29 V35 Q36 V221 F222 T223S28-D32 VanDerWaalsContact O-CG 3.3Å; S28-D32 PolarHBondContact O-N 3.43Å; S28-D32 VanDerWaalsContact O-OD2 3.11Å; C29-D32 PolarHBondContact O-N 3.03Å; D32-V35 PolarHBondContact O-N 3.49Å; D32-Q36 WeakPolarHBondContact O-CB 3.34Å; D32-Q36 PolarHBondContact O-N 2.88Å; D32-V221 HydrophobicContact CB-CG1 4.25Å; D32-V221 VanDerWaalsContact CG-CG1 3.43Å; D32-V221 WeakPolarHBondContact OD2-CG1 3.5Å; D32-F222 WeakPolarHBondContact OD1-CD2 3.35Å; D32-F222 PolarHBondContact OD1-N 2.8Å; D32-F222 PolarHBondContact OD2-N 2.91Å; D32-T223 PolarHBondContact OD2-N 3.39Å; D32-T223 VanDerWaalsContact OD2-N 3.15Å; D32-T223 PolarHBondContact OD2-OG1 3.25Å
33L82.7Confident84.4Confident29 Ų2964.5 Ų64.515%0.15233%0.327CS..Hα-helixtrans-61.7-44.4175.7-172.169.3000111.8C29 N30 L31 V35 Q36 H37 F362 N403C29-L33 WeakPolarHBondContact O-CB 3.33Å; C29-L33 PolarHBondContact O-N 3.13Å; N30-L33 PolarHBondContact O-N 2.94Å; L31-L33 VanDerWaalsContact C-N 3.33Å; L31-L33 PolarHBondContact O-N 3.35Å; L33-V35 PolarHBondContact O-N 2.86Å; L33-Q36 WeakPolarHBondContact O-CB 3.33Å; L33-Q36 PolarHBondContact O-N 3.04Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.34Å; L33-H37 PolarHBondContact O-N 2.96Å; L33-F362 HydrophobicContact CD2-CE2 4.49Å; L33-N403 HydrophobicContact CD2-CB 4.21Å
34Q82.6Confident83.9Confident122 Ų12265.1 Ų65.157%0.5733%0.326SS*.Hα-helixtrans-63.7-41.6178.2-174.8177.2-4.400112.3N30 L31 Q36 H37 S38N30-Q34 WeakPolarHBondContact O-CB 3.32Å; N30-Q34 PolarHBondContact O-N 3.2Å; L31-Q34 PolarHBondContact O-N 3.41Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å; Q34-H37 PolarHBondContact O-N 3.32Å; Q34-S38 WeakPolarHBondContact O-CB 3.43Å; Q34-S38 PolarHBondContact O-N 3.35Å; Q34-S38 PolarHBondContact O-OG 2.9Å
35V82.9Confident83.6Confident53 Ų5366.8 Ų66.832%0.32134%0.34SS..Hα-helixtrans-62.7-43.1173.6170.60000110.2L31 D32 L33 S38 R39L31-V35 WeakPolarHBondContact O-CG2 3.4Å; L31-V35 PolarHBondContact O-N 3.29Å; D32-V35 PolarHBondContact O-N 3.49Å; L33-V35 PolarHBondContact O-N 2.86Å; V35-S38 PolarHBondContact O-N 3.06Å; V35-R39 WeakPolarHBondContact O-CG 3.42Å; V35-R39 PolarHBondContact O-N 3.48Å
36Q81.2Confident83.5Confident119 Ų11966.7 Ų66.756%0.55634%0.341SS*.Hα-helixtrans-62.5-46.1178.3-174.1174.6-200112D32 L33 Q34 S38 R39 V40D32-Q36 WeakPolarHBondContact O-CB 3.34Å; D32-Q36 PolarHBondContact O-N 2.88Å; L33-Q36 WeakPolarHBondContact O-CB 3.33Å; L33-Q36 PolarHBondContact O-N 3.04Å; Q34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-S38 VanDerWaalsContact C-N 3.31Å; Q36-S38 PolarHBondContact O-N 3.02Å; Q36-R39 PolarHBondContact O-N 3.26Å; Q36-V40 WeakPolarHBondContact O-CG2 3.36Å; Q36-V40 PolarHBondContact O-N 3.19Å
37H81.3Confident83.3Confident29 Ų2972.3 Ų72.313%0.13436%0.359CS..Hα-helixtrans-61.5-40.6175-67.2171.9000112L33 Q34 R39 V40 L41 I364 S401L33-H37 WeakPolarHBondContact CD1-NE2 3.34Å; L33-H37 PolarHBondContact O-N 2.96Å; Q34-H37 PolarHBondContact O-N 3.32Å; H37-R39 PolarHBondContact O-N 3.25Å; H37-V40 PolarHBondContact O-N 3.02Å; H37-L41 WeakPolarHBondContact O-CB 3.22Å; H37-L41 PolarHBondContact O-N 3.44Å; H37-I364 HydrophobicContact CB-CD1 4.38Å; H37-S401 PolarHBondContact CE1-OG 3.29Å; H37-S401 WeakPolarHBondContact NE2-CB 3.26Å; H37-S401 PolarHBondContact NE2-OG 2.83Å
38S82.4Confident83.2Confident65 Ų6568.1 Ų68.146%0.45534%0.339SS..Hα-helixtrans-64.4-40.4177.8-56.30000111.6Q34 V35 Q36 L41 W42Q34-S38 WeakPolarHBondContact O-CB 3.43Å; Q34-S38 PolarHBondContact O-N 3.35Å; Q34-S38 PolarHBondContact O-OG 2.9Å; V35-S38 PolarHBondContact O-N 3.06Å; Q36-S38 VanDerWaalsContact C-N 3.31Å; Q36-S38 PolarHBondContact O-N 3.02Å; S38-L41 PolarHBondContact O-N 3.34Å; S38-W42 WeakPolarHBondContact O-CB 2.83Å; S38-W42 PolarHBondContact O-N 3.17Å
39R81.9Confident83.2Confident96 Ų9674.3 Ų74.336%0.36237%0.366SS..Hα-helixtrans-62.1-44173.9-74.2179.4-172.9175.14.1111.7V35 Q36 H37 W42 R43V35-R39 WeakPolarHBondContact O-CG 3.42Å; V35-R39 PolarHBondContact O-N 3.48Å; Q36-R39 PolarHBondContact O-N 3.26Å; H37-R39 PolarHBondContact O-N 3.25Å; R39-W42 PolarHBondContact O-N 3.45Å; R39-R43 WeakPolarHBondContact O-CG 3.34Å; R39-R43 PolarHBondContact O-N 2.99Å
40V80.8Confident83.2Confident54 Ų5476.7 Ų76.733%0.32738%0.376SS..Hα-helixtrans-62.1-47.8176.8172.80000110.6Q36 H37 W42 R43 L44 V399Q36-V40 WeakPolarHBondContact O-CG2 3.36Å; Q36-V40 PolarHBondContact O-N 3.19Å; H37-V40 PolarHBondContact O-N 3.02Å; V40-W42 VanDerWaalsContact C-N 3.34Å; V40-W42 PolarHBondContact O-N 3.21Å; V40-R43 PolarHBondContact O-N 3.33Å; V40-L44 HydrophobicContact CG1-CD1 4.03Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 2.9Å; V40-V399 HydrophobicContact CG1-CG2 4.49Å
41L82.2Confident83.1Confident95 Ų9578.3 Ų78.350%0.49738%0.384SS..Hα-helixtrans-61.7-42.5179-173.465000111.9H37 S38 L44 A45H37-L41 WeakPolarHBondContact O-CB 3.22Å; H37-L41 PolarHBondContact O-N 3.44Å; S38-L41 PolarHBondContact O-N 3.34Å; L41-L44 PolarHBondContact O-N 2.89Å; L41-A45 WeakPolarHBondContact O-CB 3.45Å; L41-A45 PolarHBondContact O-N 3.44Å
42W83.7Confident83.2Confident161 Ų16175.4 Ų75.461%0.6137%0.369SS*.Hα-helixtrans-63.2-43.3177.2-169.689.4000111.9S38 R39 V40 L44 A45 A46S38-W42 WeakPolarHBondContact O-CB 2.83Å; S38-W42 PolarHBondContact O-N 3.17Å; R39-W42 PolarHBondContact O-N 3.45Å; V40-W42 VanDerWaalsContact C-N 3.34Å; V40-W42 PolarHBondContact O-N 3.21Å; W42-L44 VanDerWaalsContact C-N 3.34Å; W42-L44 PolarHBondContact O-N 3.44Å; W42-A45 PolarHBondContact O-N 3.13Å; W42-A46 HydrophobicContact CE3-CB 4.3Å; W42-A46 HydrophobicContact CH2-CB 4.36Å; W42-A46 HydrophobicContact CZ3-CB 4.21Å; W42-A46 VanDerWaalsContact O-CB 3.3Å; W42-A46 WeakPolarHBondContact O-CB 3.41Å; W42-A46 PolarHBondContact O-N 3.28Å
43R81.8Confident83.3Confident125 Ų12575.5 Ų75.547%0.47237%0.374SS..Hα-helixtrans-62.3-41.1174.8-75.4178.9-179.2162.21.6112.2R39 V40 R47 E206R39-R43 WeakPolarHBondContact O-CG 3.34Å; R39-R43 PolarHBondContact O-N 2.99Å; V40-R43 PolarHBondContact O-N 3.33Å; R43-R47 WeakPolarHBondContact O-CB 3.39Å; R43-R47 PolarHBondContact O-N 3.32Å; R43-E206 IonicContact CZ-OE1 3.67Å; R43-E206 IonicContact NE-OE1 2.74Å; R43-E206 PolarHBondContact NE-OE1 2.94Å; R43-E206 VanDerWaalsContact NE-OE1 3.16Å; R43-E206 IonicContact NE-OE2 3.18Å; R43-E206 IonicContact NH2-OE1 3.6Å; R43-E206 PolarHBondContact NH2-OE1 3.06Å; R43-E206 IonicContact NH2-OE2 3.79Å
44L80.1Confident83.5Confident48 Ų4881.7 Ų81.725%0.25140%0.4SS..Hα-helixtrans-63.7-41.7175.5-71.5172.3000111.6V40 L41 W42 T397V40-L44 HydrophobicContact CG1-CD1 4.03Å; V40-L44 HydrophobicContact CG1-CG 4.49Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 2.89Å; W42-L44 VanDerWaalsContact C-N 3.34Å; W42-L44 PolarHBondContact O-N 3.44Å; L44-T397 HydrophobicContact CD1-CG2 4.36Å; L44-T397 HydrophobicContact CD2-CG2 4.03Å
45A83.2Confident83.6Confident62 Ų6278.8 Ų78.851%0.51239%0.386SS..Hα-helixtrans-70.3-36.7178.200000113.4L41 W42 P48L41-A45 WeakPolarHBondContact O-CB 3.45Å; L41-A45 PolarHBondContact O-N 3.44Å; W42-A45 PolarHBondContact O-N 3.13Å; A45-P48 WeakPolarHBondContact O-CD 3.11Å
46A85.2Confident83.7Confident17 Ų1778.7 Ų78.714%0.1438%0.383CS..Hα-helixtrans-79.8-22.8179.700000113.3W42 F49 L50W42-A46 HydrophobicContact CE3-CB 4.3Å; W42-A46 HydrophobicContact CH2-CB 4.36Å; W42-A46 HydrophobicContact CZ3-CB 4.21Å; W42-A46 VanDerWaalsContact O-CB 3.3Å; W42-A46 WeakPolarHBondContact O-CB 3.41Å; W42-A46 PolarHBondContact O-N 3.28Å; A46-F49 PolarHBondContact O-N 3.32Å; A46-F49 VanDerWaalsContact O-N 3.13Å; A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.46Å
47R84.1Confident83.9Confident141 Ų14175.6 Ų75.653%0.53237%0.37SS..Hα-helixtrans-47.8-50.6-178.1-170.3175.7-176.5-178.5-0.2115R43 F49 L50 L51R43-R47 WeakPolarHBondContact O-CB 3.39Å; R43-R47 PolarHBondContact O-N 3.32Å; R47-F49 VanDerWaalsContact C-N 3.32Å; R47-F49 PolarHBondContact O-N 2.91Å; R47-L50 PolarHBondContact O-N 3.45Å; R47-L51 HydrophobicContact CG-CD1 4.17Å; R47-L51 HydrophobicContact CG-CG 4.42Å; R47-L51 WeakPolarHBondContact O-CG 3.49Å; R47-L51 PolarHBondContact O-N 3.16Å
48P85.3Confident84.1Confident30 Ų3081.7 Ų81.720%0.19540%0.396CS..Hα-helixtrans-60.2-41.6-179.522.6-34.2000112A45 L50 L51 V52 G390 F391A45-P48 WeakPolarHBondContact O-CD 3.11Å; P48-L50 PolarHBondContact O-N 3.41Å; P48-L51 PolarHBondContact O-N 3.26Å; P48-V52 WeakPolarHBondContact O-CG2 3.48Å; P48-V52 PolarHBondContact O-N 3.36Å; P48-G390 WeakPolarHBondContact CA-O 3.47Å; P48-G390 WeakPolarHBondContact CB-O 3.3Å; P48-F391 HydrophobicContact CB-CD1 3.76Å; P48-F391 HydrophobicContact CB-CE1 3.8Å; P48-F391 HydrophobicContact CB-CG 4.45Å; P48-F391 HydrophobicContact CG-CD1 4.41Å; P48-F391 HydrophobicContact CG-CE1 4.2Å
49F84.8Confident84.3Confident133 Ų13379.7 Ų79.758%0.58338%0.38SS*.Hα-helixtrans-64.2-40.9177.4-60.5-78.3000112.3A46 R47 L51 V52 A53 F391A46-F49 PolarHBondContact O-N 3.32Å; A46-F49 VanDerWaalsContact O-N 3.13Å; R47-F49 VanDerWaalsContact C-N 3.32Å; R47-F49 PolarHBondContact O-N 2.91Å; F49-L51 VanDerWaalsContact C-N 3.33Å; F49-L51 PolarHBondContact O-N 2.97Å; F49-V52 PolarHBondContact O-N 3.04Å; F49-A53 WeakPolarHBondContact O-CB 3.34Å; F49-A53 PolarHBondContact O-N 2.89Å; F49-F391 HydrophobicContact CD1-CZ 4.04Å; F49-F391 HydrophobicContact CE1-CE1 4.23Å; F49-F391 AromaticContact CE1-CZ 3.78Å; F49-F391 HydrophobicContact CE1-CZ 3.78Å; F49-F391 HydrophobicContact CZ-CE1 4.24Å; F49-F391 HydrophobicContact CZ-CZ 4.26Å
50L86.1Confident84.6Confident84 Ų8477.5 Ų77.544%0.4437%0.373SS..Hα-helixtrans-63-40.2175-67.6174.7000111.9A46 R47 P48 K54 V204A46-L50 WeakPolarHBondContact O-CG 3.4Å; A46-L50 PolarHBondContact O-N 3.46Å; R47-L50 PolarHBondContact O-N 3.45Å; P48-L50 PolarHBondContact O-N 3.41Å; L50-K54 VanDerWaalsContact O-CB 3.26Å; L50-K54 WeakPolarHBondContact O-CB 3.38Å; L50-K54 PolarHBondContact O-N 2.83Å; L50-V204 HydrophobicContact CD2-CB 4.23Å; L50-V204 HydrophobicContact CD2-CG1 3.47Å; L50-V204 VanDerWaalsContact CD2-CG1 3.47Å
51L85.1Confident84.9Confident78 Ų7879.5 Ų79.541%0.40839%0.385SS..Hα-helixtrans-65.6-44.5176-70.1175000111.6R47 P48 F49 K54 Q55R47-L51 HydrophobicContact CG-CD1 4.17Å; R47-L51 HydrophobicContact CG-CG 4.42Å; R47-L51 WeakPolarHBondContact O-CG 3.49Å; R47-L51 PolarHBondContact O-N 3.16Å; P48-L51 PolarHBondContact O-N 3.26Å; F49-L51 VanDerWaalsContact C-N 3.33Å; F49-L51 PolarHBondContact O-N 2.97Å; L51-K54 PolarHBondContact O-N 2.94Å; L51-Q55 WeakPolarHBondContact O-CB 2.91Å; L51-Q55 PolarHBondContact O-N 3.14Å
52V87.3Confident85.2Confident14 Ų1479.2 Ų79.29%0.08538%0.382CS..Hα-helixtrans-60.4-48.9175.8171.50000111P48 F49 K54 Q55 L56 T387 F391P48-V52 WeakPolarHBondContact O-CG2 3.48Å; P48-V52 PolarHBondContact O-N 3.36Å; F49-V52 PolarHBondContact O-N 3.04Å; V52-K54 VanDerWaalsContact C-N 3.32Å; V52-K54 PolarHBondContact O-N 2.96Å; V52-Q55 PolarHBondContact O-N 3.32Å; V52-L56 HydrophobicContact CG1-CD1 3.73Å; V52-L56 HydrophobicContact CG1-CG 4.29Å; V52-L56 WeakPolarHBondContact O-CB 3.22Å; V52-L56 WeakPolarHBondContact O-CG 3.34Å; V52-L56 PolarHBondContact O-N 3.24Å; V52-T387 HydrophobicContact CG1-CG2 4.18Å; V52-T387 WeakPolarHBondContact CG2-O 3.07Å; V52-F391 HydrophobicContact CG2-CD2 4.04Å; V52-F391 HydrophobicContact CG2-CE2 3.78Å
53A85.6Confident85.4Confident30 Ų3071.7 Ų71.725%0.24835%0.353CS..Hα-helixtrans-59.6-44.3178.300000111.4F49 M57 V204F49-A53 WeakPolarHBondContact O-CB 3.34Å; F49-A53 PolarHBondContact O-N 2.89Å; A53-M57 WeakPolarHBondContact O-CB 3.32Å; A53-M57 VanDerWaalsContact O-CG 3.24Å; A53-M57 WeakPolarHBondContact O-CG 3.45Å; A53-M57 PolarHBondContact O-N 3.4Å; A53-V204 HydrophobicContact CB-CG2 4.41Å
54K85.4Confident85.7Confident160 Ų16067.8 Ų67.870%0.69634%0.34SS*.Hα-helixtrans-64.5-40.6178-172.5175.9-178.2177.30112.5L50 L51 V52 K58L50-K54 VanDerWaalsContact O-CB 3.26Å; L50-K54 WeakPolarHBondContact O-CB 3.38Å; L50-K54 PolarHBondContact O-N 2.83Å; L51-K54 PolarHBondContact O-N 2.94Å; V52-K54 VanDerWaalsContact C-N 3.32Å; V52-K54 PolarHBondContact O-N 2.96Å; K54-K58 PolarHBondContact O-N 2.83Å; K54-K58 VanDerWaalsContact O-N 3.08Å
55Q85.7Confident86.1Confident61 Ų6168.9 Ų68.929%0.28535%0.352SS..Hα-helixtrans-71.8-41.9179.6-1726227.900111.5L51 V52 M57 K58 D59 T386L51-Q55 WeakPolarHBondContact O-CB 2.91Å; L51-Q55 PolarHBondContact O-N 3.14Å; V52-Q55 PolarHBondContact O-N 3.32Å; Q55-M57 VanDerWaalsContact C-N 3.29Å; Q55-M57 PolarHBondContact O-N 3.16Å; Q55-K58 WeakPolarHBondContact O-CB 3.5Å; Q55-K58 PolarHBondContact O-N 3.24Å; Q55-K58 VanDerWaalsContact O-N 3.08Å; Q55-D59 PolarHBondContact NE2-OD1 3.47Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.08Å; Q55-D59 PolarHBondContact NE2-OD2 2.97Å; Q55-D59 PolarHBondContact O-N 3.48Å; Q55-T386 HydrophobicContact CB-CG2 4.21Å; Q55-T386 HydrophobicContact CG-CG2 3.62Å
56L85.6Confident86.3Confident50 Ų5067.5 Ų67.526%0.26234%0.336SS..Hα-helixtrans-59.2-40.9172.8-74.9170.1000111.9V52 K58 D59 K60 F63 T386V52-L56 HydrophobicContact CG1-CD1 3.73Å; V52-L56 HydrophobicContact CG1-CG 4.29Å; V52-L56 WeakPolarHBondContact O-CB 3.22Å; V52-L56 WeakPolarHBondContact O-CG 3.34Å; V52-L56 PolarHBondContact O-N 3.24Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 2.93Å; L56-D59 PolarHBondContact O-N 3.39Å; L56-K60 PolarHBondContact O-N 3.44Å; L56-K60 VanDerWaalsContact O-N 3.12Å; L56-F63 HydrophobicContact CD2-CE2 4.43Å; L56-T386 HydrophobicContact CD2-CG2 3.85Å; L56-T386 HydrophobicContact CG-CG2 4.19Å
57M84.4Confident86.4Confident55 Ų5566.7 Ų66.727%0.27133%0.329SS..Hα-helixtrans-64.8-33174.8-76.6-71.9127.100113A53 Q55 K60 T200 V202A53-M57 WeakPolarHBondContact O-CB 3.32Å; A53-M57 VanDerWaalsContact O-CG 3.24Å; A53-M57 WeakPolarHBondContact O-CG 3.45Å; A53-M57 PolarHBondContact O-N 3.4Å; Q55-M57 VanDerWaalsContact C-N 3.29Å; Q55-M57 PolarHBondContact O-N 3.16Å; M57-K60 WeakPolarHBondContact O-CD 3.35Å; M57-K60 VanDerWaalsContact O-CG 3.29Å; M57-K60 WeakPolarHBondContact O-CG 3.46Å; M57-T200 WeakPolarHBondContact CE-O 3.42Å; M57-V202 HydrophobicContact CE-CB 3.46Å; M57-V202 VanDerWaalsContact CE-CB 3.46Å; M57-V202 HydrophobicContact CE-CG2 3.47Å; M57-V202 VanDerWaalsContact CE-CG2 3.47Å; M57-V202 VanDerWaalsContact CE-N 3.33Å; M57-V202 HydrophobicContact SD-CB 4.09Å; M57-V202 PolarHBondContact SD-N 2.79Å
58K85.9Confident86.5Confident156 Ų15664.1 Ų64.168%0.67833%0.326SS*.Hα-helixtrans-70-42.8176.1-174-174.1175.7-170.70111.6K54 Q55 L56 K60K54-K58 PolarHBondContact O-N 2.83Å; K54-K58 VanDerWaalsContact O-N 3.08Å; Q55-K58 WeakPolarHBondContact O-CB 3.5Å; Q55-K58 PolarHBondContact O-N 3.24Å; Q55-K58 VanDerWaalsContact O-N 3.08Å; L56-K58 VanDerWaalsContact C-N 3.3Å; L56-K58 PolarHBondContact O-N 2.93Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 2.62Å
59D87.2Confident86.7Confident24 Ų2465.7 Ų65.713%0.12833%0.332CS..SBendtrans-86.93.2-174.9-58.4-15000112.5Q55 L56 V61 E62 F63 T386Q55-D59 PolarHBondContact NE2-OD1 3.47Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.08Å; Q55-D59 PolarHBondContact NE2-OD2 2.97Å; Q55-D59 PolarHBondContact O-N 3.48Å; L56-D59 PolarHBondContact O-N 3.39Å; D59-V61 VanDerWaalsContact C-N 3.31Å; D59-V61 PolarHBondContact O-N 3.37Å; D59-E62 PolarHBondContact O-N 3.31Å; D59-E62 VanDerWaalsContact O-N 3.12Å; D59-F63 HydrophobicContact CB-CD2 3.9Å; D59-F63 HydrophobicContact CB-CE2 3.49Å; D59-F63 VanDerWaalsContact CB-CE2 3.49Å; D59-F63 HydrophobicContact CB-CZ 4.29Å; D59-F63 VanDerWaalsContact O-CD2 3.28Å; D59-F63 WeakPolarHBondContact O-CD2 3.48Å; D59-F63 PolarHBondContact O-N 3.35Å; D59-F63 VanDerWaalsContact O-N 3.1Å; D59-T386 PolarHBondContact OD2-OG1 3.15Å
60K87.2Confident86.8Confident49 Ų4961.6 Ų61.621%0.21332%0.316CS..Hα-helixtrans-53.3-42.6-174.276-179.6-1781760114.1L56 M57 K58 F63 E64 E201L56-K60 PolarHBondContact O-N 3.44Å; L56-K60 VanDerWaalsContact O-N 3.12Å; M57-K60 WeakPolarHBondContact O-CD 3.35Å; M57-K60 VanDerWaalsContact O-CG 3.29Å; M57-K60 WeakPolarHBondContact O-CG 3.46Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 2.62Å; K60-F63 PolarHBondContact O-N 2.98Å; K60-E64 WeakPolarHBondContact O-CB 3.04Å; K60-E64 PolarHBondContact O-N 3.49Å; K60-E201 IonicContact NZ-OE1 3.01Å; K60-E201 PolarHBondContact NZ-OE1 3.4Å
61V87.3Confident86.8Confident96 Ų9658.5 Ų58.558%0.58230%0.301SS*.Hα-helixtrans-70.4-37.3-176.4-179.80000110.7D59 S65D59-V61 VanDerWaalsContact C-N 3.31Å; D59-V61 PolarHBondContact O-N 3.37Å; V61-S65 WeakPolarHBondContact O-CB 3.27Å; V61-S65 PolarHBondContact O-N 3.17Å
62E87.8Confident86.9Confident90 Ų9060.7 Ų60.742%0.42131%0.308SS..Hα-helixtrans-66.3-47176.8-170.1-176.9153.500110.4D59 E64 S65 D66 R382D59-E62 PolarHBondContact O-N 3.31Å; D59-E62 VanDerWaalsContact O-N 3.12Å; E62-E64 PolarHBondContact O-N 2.94Å; E62-S65 WeakPolarHBondContact O-CB 3.41Å; E62-S65 PolarHBondContact O-N 3.43Å; E62-D66 PolarHBondContact O-N 2.77Å; E62-R382 IonicContact OE1-CZ 3.31Å; E62-R382 IonicContact OE1-NH1 3.56Å; E62-R382 PolarHBondContact OE1-NH1 2.96Å
63F88.1Confident86.9Confident3 Ų365.4 Ų65.41%0.01333%0.327CS..Hα-helixtrans-65.7-35.9177.8-68.2-52.7000113.4L56 D59 K60 S67 F198 M379 R382 L383L56-F63 HydrophobicContact CD2-CE2 4.43Å; D59-F63 HydrophobicContact CB-CD2 3.9Å; D59-F63 HydrophobicContact CB-CE2 3.49Å; D59-F63 VanDerWaalsContact CB-CE2 3.49Å; D59-F63 HydrophobicContact CB-CZ 4.29Å; D59-F63 VanDerWaalsContact O-CD2 3.28Å; D59-F63 WeakPolarHBondContact O-CD2 3.48Å; D59-F63 PolarHBondContact O-N 3.35Å; D59-F63 VanDerWaalsContact O-N 3.1Å; K60-F63 PolarHBondContact O-N 2.98Å; F63-S67 PolarHBondContact O-N 2.97Å; F63-S67 VanDerWaalsContact O-N 3.14Å; F63-F198 HydrophobicContact CB-CD1 4.16Å; F63-F198 HydrophobicContact CB-CD2 3.85Å; F63-F198 HydrophobicContact CB-CE1 4.21Å; F63-F198 HydrophobicContact CB-CE2 3.88Å; F63-F198 HydrophobicContact CB-CG 4.01Å; F63-F198 HydrophobicContact CB-CZ 4.09Å; F63-F198 HydrophobicContact CD2-CE1 4.35Å; F63-F198 HydrophobicContact CG-CE1 4.44Å; F63-F198 HydrophobicContact CG-CZ 4.37Å; F63-M379 WeakPolarHBondContact O-CE 3.37Å; F63-R382 HydrophobicContact CE1-CB 4.22Å; F63-L383 HydrophobicContact CD1-CD2 3.58Å; F63-L383 HydrophobicContact CD1-CG 3.79Å; F63-L383 HydrophobicContact CD2-CD2 3.8Å; F63-L383 HydrophobicContact CE1-CB 4.32Å; F63-L383 HydrophobicContact CE1-CD2 3.43Å; F63-L383 VanDerWaalsContact CE1-CD2 3.43Å; F63-L383 HydrophobicContact CE1-CG 3.47Å; F63-L383 VanDerWaalsContact CE1-CG 3.47Å; F63-L383 HydrophobicContact CE2-CD2 3.64Å; F63-L383 HydrophobicContact CG-CD2 3.78Å; F63-L383 HydrophobicContact CG-CG 4.48Å; F63-L383 HydrophobicContact CZ-CB 4.49Å; F63-L383 HydrophobicContact CZ-CD2 3.47Å; F63-L383 VanDerWaalsContact CZ-CD2 3.47Å; F63-L383 HydrophobicContact CZ-CG 3.91Å
64E88.2Confident86.8Confident43 Ų4367.7 Ų67.720%0.20133%0.331CS..Hα-helixtrans-61.1-48.3171.9-176.7-179.3-178.900110.9K60 E62 S67 L68 R199K60-E64 WeakPolarHBondContact O-CB 3.04Å; K60-E64 PolarHBondContact O-N 3.49Å; E62-E64 PolarHBondContact O-N 2.94Å; E64-S67 PolarHBondContact O-N 2.97Å; E64-L68 HydrophobicContact CG-CD1 4.25Å; E64-L68 WeakPolarHBondContact O-CG 3.24Å; E64-L68 PolarHBondContact O-N 3.09Å; E64-L68 VanDerWaalsContact O-N 3.17Å; E64-R199 IonicContact OE1-CZ 3.85Å; E64-R199 VanDerWaalsContact OE1-CZ 3.3Å; E64-R199 IonicContact OE1-NE 2.65Å; E64-R199 PolarHBondContact OE1-NE 2.89Å; E64-R199 IonicContact OE1-NH2 2.79Å; E64-R199 PolarHBondContact OE1-NH2 3.41Å
65S88.6Confident86.7Confident70 Ų7063.5 Ų63.549%0.4931%0.314SS..Hα-helixtrans-60.8-45.5179.2-178.60000112.1V61 E62 S67 L68 D69V61-S65 WeakPolarHBondContact O-CB 3.27Å; V61-S65 PolarHBondContact O-N 3.17Å; E62-S65 WeakPolarHBondContact O-CB 3.41Å; E62-S65 PolarHBondContact O-N 3.43Å; S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 2.93Å; S65-L68 PolarHBondContact O-N 3.39Å; S65-D69 PolarHBondContact O-N 3.39Å
66D88.1Confident86.6Confident33 Ų3364.8 Ų64.818%0.17632%0.323CS..Hα-helixtrans-61.8-40.7179.1-83.21.9000112.1E62 L68 D69 I70 M379 R382E62-D66 PolarHBondContact O-N 2.77Å; D66-L68 VanDerWaalsContact C-N 3.35Å; D66-L68 PolarHBondContact O-N 3.42Å; D66-D69 PolarHBondContact O-N 3.31Å; D66-I70 VanDerWaalsContact O-CG1 3.29Å; D66-I70 WeakPolarHBondContact O-CG1 3.22Å; D66-I70 PolarHBondContact O-N 2.92Å; D66-M379 HydrophobicContact CB-CE 4.32Å; D66-M379 HydrophobicContact CB-CG 4.17Å; D66-M379 HydrophobicContact CB-SD 4.22Å; D66-R382 IonicContact OD1-NH1 3.76Å; D66-R382 IonicContact OD2-CZ 2.63Å; D66-R382 IonicContact OD2-NH1 3.91Å; D66-R382 PolarHBondContact OD2-NH1 2.99Å; D66-R382 IonicContact OD2-NH2 2.71Å
67S86.8Confident86.5Confident1 Ų166.1 Ų66.11%0.00733%0.33CS..Hα-helixtrans-63-41.6176.8-165.50000111.9F63 E64 S65 S71 M191F63-S67 PolarHBondContact O-N 2.97Å; F63-S67 VanDerWaalsContact O-N 3.14Å; E64-S67 PolarHBondContact O-N 2.97Å; S65-S67 VanDerWaalsContact C-N 3.34Å; S65-S67 PolarHBondContact O-N 2.93Å; S67-S71 PolarHBondContact O-N 3.33Å; S67-S71 VanDerWaalsContact O-N 3.1Å; S67-M191 PolarHBondContact OG-O 3.08Å
68L87.1Confident86.3Confident87 Ų8764.7 Ų64.746%0.45532%0.321SS..Hα-helixtrans-68.4-40.5177.6-68.8172.5000112E64 S65 D66 S71 K72E64-L68 HydrophobicContact CG-CD1 4.25Å; E64-L68 WeakPolarHBondContact O-CG 3.24Å; E64-L68 PolarHBondContact O-N 3.09Å; E64-L68 VanDerWaalsContact O-N 3.17Å; S65-L68 PolarHBondContact O-N 3.39Å; D66-L68 VanDerWaalsContact C-N 3.35Å; D66-L68 PolarHBondContact O-N 3.42Å; L68-S71 PolarHBondContact O-N 3.44Å; L68-K72 WeakPolarHBondContact O-CB 3.35Å; L68-K72 PolarHBondContact O-N 2.85Å
69D89Confident86Confident63 Ų6360 Ų6034%0.33730%0.304SS..Hα-helixtrans-63.7-43.2176.8-178.160.9000112S65 D66 S71 K72 K73S65-D69 PolarHBondContact O-N 3.39Å; D66-D69 PolarHBondContact O-N 3.31Å; D69-S71 PolarHBondContact O-N 3.04Å; D69-K72 PolarHBondContact O-N 3.03Å; D69-K73 WeakPolarHBondContact O-CG 3.49Å; D69-K73 PolarHBondContact O-N 3.2Å; D69-K73 WeakPolarHBondContact OD2-CE 3.23Å; D69-K73 IonicContact OD2-NZ 2.88Å; D69-K73 PolarHBondContact OD2-NZ 2.89Å
70I86.4Confident85.7Confident46 Ų4665.1 Ų65.124%0.23633%0.327CS..Hα-helixtrans-60.1-47.7174.6-68.8167.7000110.3D66 K72 K73 F74 M191 M379D66-I70 VanDerWaalsContact O-CG1 3.29Å; D66-I70 WeakPolarHBondContact O-CG1 3.22Å; D66-I70 PolarHBondContact O-N 2.92Å; I70-K72 VanDerWaalsContact C-N 3.31Å; I70-K72 PolarHBondContact O-N 2.89Å; I70-K73 PolarHBondContact O-N 3.42Å; I70-F74 HydrophobicContact CG2-CD2 3.87Å; I70-F74 HydrophobicContact CG2-CE2 4Å; I70-F74 WeakPolarHBondContact O-CD2 3.29Å; I70-F74 PolarHBondContact O-N 3.42Å; I70-M191 HydrophobicContact CB-SD 4.41Å; I70-M191 HydrophobicContact CG2-CG 4.33Å; I70-M191 HydrophobicContact CG2-SD 4.01Å; I70-M379 HydrophobicContact CD1-CB 4.36Å; I70-M379 HydrophobicContact CD1-SD 3.76Å
71S85.9Confident85.1Confident19 Ų1964.5 Ų64.513%0.13333%0.327CS..Hα-helixtrans-57.2-45.5177.3-173.40000111.4S67 L68 D69 K73 F74 Q75 N188S67-S71 PolarHBondContact O-N 3.33Å; S67-S71 VanDerWaalsContact O-N 3.1Å; L68-S71 PolarHBondContact O-N 3.44Å; D69-S71 PolarHBondContact O-N 3.04Å; S71-K73 PolarHBondContact O-N 3.34Å; S71-F74 PolarHBondContact O-N 3.3Å; S71-Q75 WeakPolarHBondContact O-CG 3.42Å; S71-Q75 PolarHBondContact O-N 3.29Å; S71-N188 PolarHBondContact OG-OD1 3.36Å
72K86.7Confident84.5Confident125 Ų12560 Ų6054%0.54330%0.3SS..Hα-helixtrans-63.2-42.3177.6-171.9179.2-179.4-178.40112.8L68 D69 I70 F74 Q75 N76L68-K72 WeakPolarHBondContact O-CB 3.35Å; L68-K72 PolarHBondContact O-N 2.85Å; D69-K72 PolarHBondContact O-N 3.03Å; I70-K72 VanDerWaalsContact C-N 3.31Å; I70-K72 PolarHBondContact O-N 2.89Å; K72-F74 PolarHBondContact O-N 3.3Å; K72-Q75 PolarHBondContact O-N 2.95Å; K72-N76 VanDerWaalsContact O-CG 3.26Å; K72-N76 PolarHBondContact O-N 3Å; K72-N76 PolarHBondContact O-OD1 3.35Å
73K87.7Confident83.8Confident112 Ų11261.4 Ų61.449%0.48731%0.309SS..Hα-helixtrans-61.1-43.5176-77.8171.2175.1160.90111.8D69 I70 S71 N76 I77D69-K73 WeakPolarHBondContact O-CG 3.49Å; D69-K73 PolarHBondContact O-N 3.2Å; D69-K73 WeakPolarHBondContact OD2-CE 3.23Å; D69-K73 IonicContact OD2-NZ 2.88Å; D69-K73 PolarHBondContact OD2-NZ 2.89Å; I70-K73 PolarHBondContact O-N 3.42Å; S71-K73 PolarHBondContact O-N 3.34Å; K73-N76 PolarHBondContact O-N 3.15Å; K73-I77 WeakPolarHBondContact O-CG1 3.31Å; K73-I77 PolarHBondContact O-N 2.99Å
74F83.9Confident83Confident79 Ų7968 Ų6835%0.34634%0.341SS..Hα-helixtrans-66.7-36.3175.8-89-82.2000112.8I70 S71 K72 I77 R78 Y184 L187I70-F74 HydrophobicContact CG2-CD2 3.87Å; I70-F74 HydrophobicContact CG2-CE2 4Å; I70-F74 WeakPolarHBondContact O-CD2 3.29Å; I70-F74 PolarHBondContact O-N 3.42Å; S71-F74 PolarHBondContact O-N 3.3Å; K72-F74 PolarHBondContact O-N 3.3Å; F74-I77 PolarHBondContact O-N 3.16Å; F74-R78 WeakPolarHBondContact O-CB 3.23Å; F74-R78 PolarHBondContact O-N 2.94Å; F74-Y184 HydrophobicContact CD1-CD1 4.34Å; F74-Y184 HydrophobicContact CD1-CE1 4.01Å; F74-L187 HydrophobicContact CD1-CD1 4.03Å; F74-L187 HydrophobicContact CE1-CD1 3.67Å; F74-L187 HydrophobicContact CE2-CD1 4.43Å; F74-L187 HydrophobicContact CZ-CD1 3.9Å
75Q82.6Confident81.9Confident71 Ų7172.7 Ų72.733%0.33236%0.357SS..Hα-helixtrans-62.6-45.1172.1-72.1174.86.700111.3S71 K72 I77 R78 D79S71-Q75 WeakPolarHBondContact O-CG 3.42Å; S71-Q75 PolarHBondContact O-N 3.29Å; K72-Q75 PolarHBondContact O-N 2.95Å; Q75-I77 PolarHBondContact O-N 3.44Å; Q75-R78 WeakPolarHBondContact O-CB 3.42Å; Q75-R78 PolarHBondContact O-N 3.03Å; Q75-D79 WeakPolarHBondContact O-CB 3.24Å; Q75-D79 PolarHBondContact O-N 2.98Å
76N85.1Confident80.6Confident88 Ų8871.7 Ų71.747%0.47136%0.358SS..Hα-helixtrans-59.6-44.6175.9-68.8-11.1000112K72 K73 R78 D79 E80K72-N76 VanDerWaalsContact O-CG 3.26Å; K72-N76 PolarHBondContact O-N 3Å; K72-N76 PolarHBondContact O-OD1 3.35Å; K73-N76 PolarHBondContact O-N 3.15Å; N76-R78 VanDerWaalsContact C-N 3.34Å; N76-R78 PolarHBondContact O-N 3.02Å; N76-D79 PolarHBondContact O-N 2.68Å; N76-E80 WeakPolarHBondContact O-CB 3.37Å; N76-E80 PolarHBondContact O-N 2.84Å
77I83.1Confident79.5Confident79 Ų7972 Ų7241%0.40536%0.356SS..Hα-helixtrans-60.8-45176.8-68.3165.3000110.6K73 F74 Q75 D79 E80 V81K73-I77 WeakPolarHBondContact O-CG1 3.31Å; K73-I77 PolarHBondContact O-N 2.99Å; F74-I77 PolarHBondContact O-N 3.16Å; Q75-I77 PolarHBondContact O-N 3.44Å; I77-D79 VanDerWaalsContact C-N 3.32Å; I77-D79 PolarHBondContact O-N 2.79Å; I77-E80 PolarHBondContact O-N 3.44Å; I77-V81 HydrophobicContact CG2-CG2 4.45Å; I77-V81 WeakPolarHBondContact O-CB 3.47Å; I77-V81 VanDerWaalsContact O-CG2 3.26Å; I77-V81 WeakPolarHBondContact O-CG2 3.3Å; I77-V81 PolarHBondContact O-N 3.34Å
78R79.5Confident78.3Confident25 Ų2578.7 Ų78.79%0.09439%0.392CS..Hα-helixtrans-58.6-47.5176.6-178.9-165.166.9-173.4-4.8110.5F74 Q75 N76 V81 L82 F107 Y184F74-R78 WeakPolarHBondContact O-CB 3.23Å; F74-R78 PolarHBondContact O-N 2.94Å; Q75-R78 WeakPolarHBondContact O-CB 3.42Å; Q75-R78 PolarHBondContact O-N 3.03Å; N76-R78 VanDerWaalsContact C-N 3.34Å; N76-R78 PolarHBondContact O-N 3.02Å; R78-V81 PolarHBondContact O-N 3.13Å; R78-L82 HydrophobicContact CG-CD1 4.1Å; R78-L82 VanDerWaalsContact O-CG 3.23Å; R78-L82 WeakPolarHBondContact O-CG 3.44Å; R78-L82 PolarHBondContact O-N 3.36Å; R78-F107 HydrophobicContact CG-CZ 4.32Å; R78-Y184 HydrophobicContact CB-CD1 4.27Å; R78-Y184 HydrophobicContact CB-CE1 3.98Å
79D79.1Confident77Confident58 Ų5878.6 Ų78.631%0.3140%0.397SS..Hα-helixtrans-70-35.6-176.1-62.5-8.6000111.5Q75 N76 I77 L82 L83Q75-D79 WeakPolarHBondContact O-CB 3.24Å; Q75-D79 PolarHBondContact O-N 2.98Å; N76-D79 PolarHBondContact O-N 2.68Å; I77-D79 VanDerWaalsContact C-N 3.32Å; I77-D79 PolarHBondContact O-N 2.79Å; D79-L82 WeakPolarHBondContact O-CB 3.3Å; D79-L82 PolarHBondContact O-N 3.45Å; D79-L83 WeakPolarHBondContact O-CB 3.33Å; D79-L83 VanDerWaalsContact O-CG 3.26Å; D79-L83 WeakPolarHBondContact O-CG 3.48Å; D79-L83 PolarHBondContact O-N 2.99Å
80E81.1Confident75.8Confident131 Ų13177 Ų7761%0.61239%0.388SS*.Hα-helixtrans-65.7-44172.7-175.7165.2-159.900112N76 I77 L82 L83 Q84N76-E80 WeakPolarHBondContact O-CB 3.37Å; N76-E80 PolarHBondContact O-N 2.84Å; I77-E80 PolarHBondContact O-N 3.44Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 2.94Å; E80-L83 PolarHBondContact O-N 3.37Å; E80-Q84 VanDerWaalsContact O-CB 3.28Å; E80-Q84 WeakPolarHBondContact O-CB 3.22Å; E80-Q84 PolarHBondContact O-N 3.01Å
81V76Confident74.3Confident36 Ų3683.4 Ų83.422%0.21842%0.417CS..Hα-helixtrans-61.3-38.5172.4170.90000110.6I77 R78 Y85 F107I77-V81 HydrophobicContact CG2-CG2 4.45Å; I77-V81 WeakPolarHBondContact O-CB 3.47Å; I77-V81 VanDerWaalsContact O-CG2 3.26Å; I77-V81 WeakPolarHBondContact O-CG2 3.3Å; I77-V81 PolarHBondContact O-N 3.34Å; R78-V81 PolarHBondContact O-N 3.13Å; V81-Y85 HydrophobicContact CG1-CD2 4.19Å; V81-Y85 HydrophobicContact CG1-CE2 4.49Å; V81-Y85 VanDerWaalsContact O-CD2 3.3Å; V81-Y85 WeakPolarHBondContact O-CD2 3.3Å; V81-Y85 PolarHBondContact O-N 3.25Å; V81-F107 HydrophobicContact CG1-CE1 4.38Å
82L72.9Confident72.8Confident2 Ų288.1 Ų88.11%0.0144%0.437CS..Hα-helixtrans-63.2-48.6175.1-71.7166.7000111R78 D79 E80 G86 Y87 I90 F107R78-L82 HydrophobicContact CG-CD1 4.1Å; R78-L82 VanDerWaalsContact O-CG 3.23Å; R78-L82 WeakPolarHBondContact O-CG 3.44Å; R78-L82 PolarHBondContact O-N 3.36Å; D79-L82 WeakPolarHBondContact O-CB 3.3Å; D79-L82 PolarHBondContact O-N 3.45Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 2.94Å; L82-G86 PolarHBondContact O-N 3.33Å; L82-Y87 HydrophobicContact CD2-CD2 4.18Å; L82-Y87 HydrophobicContact CD2-CG 4.12Å; L82-Y87 WeakPolarHBondContact O-CA 3.35Å; L82-Y87 WeakPolarHBondContact O-CB 3.45Å; L82-Y87 PolarHBondContact O-N 2.96Å; L82-I90 HydrophobicContact CD1-CB 4.47Å; L82-I90 HydrophobicContact CD1-CD1 3.71Å; L82-I90 HydrophobicContact CD1-CG1 3.7Å; L82-I90 HydrophobicContact CD2-CD1 4.39Å; L82-I90 HydrophobicContact CD2-CG1 4.43Å; L82-F107 HydrophobicContact CD2-CD1 4.36Å; L82-F107 HydrophobicContact CD2-CE1 3.5Å; L82-F107 HydrophobicContact CD2-CZ 3.72Å; L82-F107 HydrophobicContact CG-CE1 4.19Å; L82-F107 HydrophobicContact CG-CZ 4.07Å
83L73.3Confident70.7Confident118 Ų11890.8 Ų90.862%0.61845%0.449SS*.Hα-helixtrans-68.5-44.9-177.4-70.2169.9000113.4D79 E80 Y85 G86D79-L83 WeakPolarHBondContact O-CB 3.33Å; D79-L83 VanDerWaalsContact O-CG 3.26Å; D79-L83 WeakPolarHBondContact O-CG 3.48Å; D79-L83 PolarHBondContact O-N 2.99Å; E80-L83 PolarHBondContact O-N 3.37Å; L83-Y85 VanDerWaalsContact C-N 3.26Å; L83-Y85 PolarHBondContact O-N 3.11Å; L83-G86 PolarHBondContact O-N 3.24Å
84Q72.4Confident68.4Low143 Ų14392 Ų9267%0.66847%0.468SS*.Hα-helixtrans-61.5-36.1-177.2-174.1178.113.100112.1E80 G86E80-Q84 VanDerWaalsContact O-CB 3.28Å; E80-Q84 WeakPolarHBondContact O-CB 3.22Å; E80-Q84 PolarHBondContact O-N 3.01Å; Q84-G86 VanDerWaalsContact C-N 3.34Å
85Y65.5Low66.4Low141 Ų14192.3 Ų92.355%0.55349%0.494SS*.THydrogen-bonded Turntrans-93.46.6178.2-68.1-80.6000113V81 L83 Y87V81-Y85 HydrophobicContact CG1-CD2 4.19Å; V81-Y85 HydrophobicContact CG1-CE2 4.49Å; V81-Y85 VanDerWaalsContact O-CD2 3.3Å; V81-Y85 WeakPolarHBondContact O-CD2 3.3Å; V81-Y85 PolarHBondContact O-N 3.25Å; L83-Y85 VanDerWaalsContact C-N 3.26Å; L83-Y85 PolarHBondContact O-N 3.11Å; Y85-Y87 HydrophobicContact CG-CE2 4.27Å
86G59.8Low64.2Low48 Ų4892 Ų9250%0.49551%0.509SS..THydrogen-bonded Turntrans71.230.9172.700000114.1L82 L83 Q84L82-G86 PolarHBondContact O-N 3.33Å; L83-G86 PolarHBondContact O-N 3.24Å; Q84-G86 VanDerWaalsContact C-N 3.34Å
87Y65.3Low61.9Low39 Ų3991.9 Ų91.915%0.15352%0.52CS..PPolyproline II helixtrans-84.3142.4171.6-58.9-69.1000110.5L82 Y85 N110 T111L82-Y87 HydrophobicContact CD2-CD2 4.18Å; L82-Y87 HydrophobicContact CD2-CG 4.12Å; L82-Y87 WeakPolarHBondContact O-CA 3.35Å; L82-Y87 WeakPolarHBondContact O-CB 3.45Å; L82-Y87 PolarHBondContact O-N 2.96Å; Y85-Y87 HydrophobicContact CG-CE2 4.27Å; Y87-N110 HydrophobicContact CD1-CB 3.49Å; Y87-N110 VanDerWaalsContact CD1-CB 3.49Å; Y87-N110 HydrophobicContact CE1-CB 3.5Å; Y87-N110 VanDerWaalsContact CE1-CB 3.5Å; Y87-T111 PolarHBondContact OH-OG1 2.63Å
88D62.1Low59.9Low142 Ų14293.2 Ų93.276%0.75954%0.544SS*.PPolyproline II helixtrans-63.5139.1171.7-66.7-43.6000110.1I90D88-I90 PolarHBondContact O-N 3.15Å
89P60.6Low58.1Low86 Ų86101.2 Ų101.256%0.55858%0.582SS**PPolyproline II helixtrans-54.9135.6176.6-23.631.9000111.3Q91P89-Q91 PolarHBondContact O-N 3.31Å
90I62.2Low57Low28 Ų28101.4 Ų101.414%0.14460%0.598CS.*  trans-67.8100.5176.6-60.4170000108.3L82 D88 Q92 T103L82-I90 HydrophobicContact CD1-CB 4.47Å; L82-I90 HydrophobicContact CD1-CD1 3.71Å; L82-I90 HydrophobicContact CD1-CG1 3.7Å; L82-I90 HydrophobicContact CD2-CD1 4.39Å; L82-I90 HydrophobicContact CD2-CG1 4.43Å; D88-I90 PolarHBondContact O-N 3.15Å; I90-Q92 HydrophobicContact CG2-CG 4.26Å; I90-Q92 PolarHBondContact O-N 3.36Å; I90-T103 HydrophobicContact CD1-CG2 4.43Å
91Q56.1Low56Low181 Ų181100 Ų10085%0.84659%0.594SS**  trans-7292.8171.7-69.8-176.18.300109.5P89 K93P89-Q91 PolarHBondContact O-N 3.31Å; Q91-K93 PolarHBondContact O-N 3.12Å
92Q54Low55.9Low119 Ų11999.9 Ų99.956%0.55660%0.596SS**  trans-70.1108.7165.8-73.4-177.4-6.600108.3I90 P94I90-Q92 HydrophobicContact CG2-CG 4.26Å; I90-Q92 PolarHBondContact O-N 3.36Å; Q92-P94 WeakPolarHBondContact O-CD 3.43Å
93K42.8Very low56.1Low181 Ų181100.1 Ų100.179%0.78760%0.597SS**  trans-63.9123.1169.2-82.4-176.3176.41780108.6Q91 G95Q91-K93 PolarHBondContact O-N 3.12Å; K93-G95 PolarHBondContact O-N 3.36Å
94P38.1Very low56.5Low136 Ų13695.6 Ų95.688%0.88357%0.573SS**THydrogen-bonded Turntrans-68.5122.8176.2-1.915.4000108.7Q92Q92-P94 WeakPolarHBondContact O-CD 3.43Å
95G43.3Very low56.8Low87 Ų8793.6 Ų93.690%0.89756%0.563SS**THydrogen-bonded Turntrans101.76.2169.600000117.5K93K93-G95 PolarHBondContact O-N 3.36Å
96G35.1Very low57.4Low63 Ų6389 Ų8965%0.64955%0.547SS*.  trans-96109173.600000112.5A98G96-A98 PolarHBondContact O-N 2.71Å
97A37Very low58.2Low86 Ų8687 Ų8771%0.71153%0.525SS*.  trans-57.4129.9169.400000111.2Q99A97-Q99 PolarHBondContact O-N 3.07Å
98A42.6Very low59Low108 Ų10887.2 Ų87.289%0.89354%0.535SS*.SBendtrans45.927.6149.200000119.4G96G96-A98 PolarHBondContact O-N 2.71Å
99Q41.9Very low59.7Low192 Ų19282.5 Ų82.590%0.89751%0.513SS*.  trans-131.127.2177.8-104.1168.3-1000112.6A97A97-Q99 PolarHBondContact O-N 3.07Å
100G54Low60.5Low63 Ų6380.4 Ų80.465%0.64950%0.497SS*.SBendtrans-102.2138.2161.400000109.3
101N60.6Low61.3Low100 Ų10080.2 Ų80.254%0.53550%0.497SS..PPolyproline II helixtrans-50.8142170.9-70.17.5000109.9E105 Q106N101-E105 VanDerWaalsContact CA-OE2 3.3Å; N101-E105 WeakPolarHBondContact CA-OE2 3.38Å; N101-E105 HydrophobicContact CB-CB 3.91Å; N101-E105 VanDerWaalsContact CB-OE2 3.3Å; N101-E105 WeakPolarHBondContact CB-OE2 3.43Å; N101-Q106 HydrophobicContact CB-CG 3.92Å; N101-Q106 PolarHBondContact O-NE2 3.3Å
102S73.8Confident62.4Low35 Ų3578.1 Ų78.125%0.24548%0.481CS..PPolyproline II helixtrans-55.1152.5177.461.90000110.8Q104 E105 Q106S102-Q104 PolarHBondContact O-N 3.24Å; S102-E105 PolarHBondContact N-OE2 3.3Å; S102-E105 WeakPolarHBondContact O-CB 3.15Å; S102-E105 PolarHBondContact O-N 2.92Å; S102-E105 VanDerWaalsContact OG-CG 3.26Å; S102-E105 WeakPolarHBondContact OG-CG 3.28Å; S102-E105 PolarHBondContact OG-N 3.05Å; S102-E105 PolarHBondContact OG-OE1 3.45Å; S102-Q106 WeakPolarHBondContact O-CG 3.16Å; S102-Q106 PolarHBondContact O-N 2.9Å
103T77.6Confident63.4Low7 Ų780.8 Ų80.84%0.04349%0.486CS..Hα-helixtrans-55.8-31.6177.9-58.70000110.2I90 Q106 F107 D185I90-T103 HydrophobicContact CD1-CG2 4.43Å; T103-Q106 PolarHBondContact O-N 3.45Å; T103-F107 HydrophobicContact CG2-CD2 3.71Å; T103-F107 HydrophobicContact CG2-CE2 3.48Å; T103-F107 VanDerWaalsContact CG2-CE2 3.48Å; T103-F107 WeakPolarHBondContact O-CD2 3.47Å; T103-F107 PolarHBondContact O-N 3.36Å; T103-D185 VanDerWaalsContact CB-OD1 3.31Å; T103-D185 WeakPolarHBondContact CB-OD1 3.23Å; T103-D185 PolarHBondContact N-OD2 3.19Å; T103-D185 PolarHBondContact OG1-OD1 3.41Å; T103-D185 PolarHBondContact OG1-OD2 2.99Å
104Q82.3Confident65.1Low22 Ų2278.8 Ų78.810%0.10347%0.474CS..Hα-helixtrans-61.4-50172.2-177.366.925.800113.1S102 Q106 F107 A108 E177 Q182S102-Q104 PolarHBondContact O-N 3.24Å; Q104-Q106 VanDerWaalsContact C-N 3.28Å; Q104-Q106 PolarHBondContact O-N 3.48Å; Q104-F107 PolarHBondContact O-N 2.88Å; Q104-A108 WeakPolarHBondContact O-CB 3.25Å; Q104-A108 PolarHBondContact O-N 2.9Å; Q104-E177 PolarHBondContact NE2-O 3.45Å; Q104-E177 PolarHBondContact OE1-O 3.31Å; Q104-Q182 HydrophobicContact CB-CG 4.32Å
105E78.6Confident67.2Low101 Ų10172.6 Ų72.647%0.47243%0.434SS..Hα-helixtrans-63.6-36.2178.2-78.1157.2-141.300111.9N101 S102 A108 S109N101-E105 VanDerWaalsContact CA-OE2 3.3Å; N101-E105 WeakPolarHBondContact CA-OE2 3.38Å; N101-E105 HydrophobicContact CB-CB 3.91Å; N101-E105 VanDerWaalsContact CB-OE2 3.3Å; N101-E105 WeakPolarHBondContact CB-OE2 3.43Å; S102-E105 PolarHBondContact N-OE2 3.3Å; S102-E105 WeakPolarHBondContact O-CB 3.15Å; S102-E105 PolarHBondContact O-N 2.92Å; S102-E105 VanDerWaalsContact OG-CG 3.26Å; S102-E105 WeakPolarHBondContact OG-CG 3.28Å; S102-E105 PolarHBondContact OG-N 3.05Å; S102-E105 PolarHBondContact OG-OE1 3.45Å; E105-A108 PolarHBondContact O-N 3.38Å; E105-S109 WeakPolarHBondContact O-CB 3.4Å; E105-S109 PolarHBondContact O-N 2.86Å
106Q76.9Confident69.1Low45 Ų4570.6 Ų70.621%0.2140%0.402CS..Hα-helixtrans-66-48.3177.1-65.3-179.220.400111.1N101 S102 T103 Q104 A108 S109 N110N101-Q106 HydrophobicContact CB-CG 3.92Å; N101-Q106 PolarHBondContact O-NE2 3.3Å; S102-Q106 WeakPolarHBondContact O-CG 3.16Å; S102-Q106 PolarHBondContact O-N 2.9Å; T103-Q106 PolarHBondContact O-N 3.45Å; Q104-Q106 VanDerWaalsContact C-N 3.28Å; Q104-Q106 PolarHBondContact O-N 3.48Å; Q106-A108 PolarHBondContact O-N 2.89Å; Q106-S109 PolarHBondContact O-N 3.29Å; Q106-N110 VanDerWaalsContact O-CB 3.27Å; Q106-N110 WeakPolarHBondContact O-CB 3.42Å; Q106-N110 PolarHBondContact O-N 2.84Å; Q106-N110 PolarHBondContact O-ND2 3.21Å
107F78.1Confident71.4Confident6 Ų669.1 Ų69.13%0.02639%0.387CS..Hα-helixtrans-61.8-41.8174.8-82.5-68000112.3R78 V81 L82 T103 Q104 T111 V176 F180R78-F107 HydrophobicContact CG-CZ 4.32Å; V81-F107 HydrophobicContact CG1-CE1 4.38Å; L82-F107 HydrophobicContact CD2-CD1 4.36Å; L82-F107 HydrophobicContact CD2-CE1 3.5Å; L82-F107 HydrophobicContact CD2-CZ 3.72Å; L82-F107 HydrophobicContact CG-CE1 4.19Å; L82-F107 HydrophobicContact CG-CZ 4.07Å; T103-F107 HydrophobicContact CG2-CD2 3.71Å; T103-F107 HydrophobicContact CG2-CE2 3.48Å; T103-F107 VanDerWaalsContact CG2-CE2 3.48Å; T103-F107 WeakPolarHBondContact O-CD2 3.47Å; T103-F107 PolarHBondContact O-N 3.36Å; Q104-F107 PolarHBondContact O-N 2.88Å; F107-T111 VanDerWaalsContact O-CB 3.29Å; F107-T111 WeakPolarHBondContact O-CB 3.5Å; F107-T111 PolarHBondContact O-N 3.34Å; F107-T111 PolarHBondContact O-OG1 3.37Å; F107-V176 HydrophobicContact CB-CG1 4.22Å; F107-V176 HydrophobicContact CB-CG2 4.37Å; F107-F180 HydrophobicContact CD1-CE1 4.36Å; F107-F180 HydrophobicContact CD2-CD1 4.05Å; F107-F180 HydrophobicContact CD2-CE1 4.03Å; F107-F180 HydrophobicContact CE1-CE1 4.24Å; F107-F180 HydrophobicContact CE2-CD1 4.34Å; F107-F180 AromaticContact CE2-CE1 3.92Å; F107-F180 HydrophobicContact CE2-CE1 3.92Å; F107-F180 HydrophobicContact CG-CD1 4.32Å; F107-F180 HydrophobicContact CG-CE1 4.28Å; F107-F180 HydrophobicContact CZ-CE1 4.05Å
108A80.7Confident73.6Confident44 Ų4469.3 Ų69.336%0.36438%0.379SS..Hα-helixtrans-64.5-45.3177.900000112.2Q104 E105 Q106 R112Q104-A108 WeakPolarHBondContact O-CB 3.25Å; Q104-A108 PolarHBondContact O-N 2.9Å; E105-A108 PolarHBondContact O-N 3.38Å; Q106-A108 PolarHBondContact O-N 2.89Å; A108-R112 WeakPolarHBondContact O-CB 3.47Å; A108-R112 PolarHBondContact O-N 2.54Å; A108-R112 VanDerWaalsContact O-N 3.08Å
109S78.4Confident75.7Confident43 Ų4364.8 Ų64.830%0.30134%0.341SS..Hα-helixtrans-66.8-44.5179.9-169.50000111.9E105 Q106 T111 R112 R113E105-S109 WeakPolarHBondContact O-CB 3.4Å; E105-S109 PolarHBondContact O-N 2.86Å; Q106-S109 PolarHBondContact O-N 3.29Å; S109-T111 PolarHBondContact O-N 3.02Å; S109-R112 PolarHBondContact O-N 3.22Å; S109-R113 PolarHBondContact O-N 3.35Å
110N76.4Confident77.9Confident41 Ų4159.7 Ų59.722%0.21932%0.319CS..Hα-helixtrans-65.4-40.8179.4-73-9.8000112Y87 Q106 R112 R113 R114Y87-N110 HydrophobicContact CD1-CB 3.49Å; Y87-N110 VanDerWaalsContact CD1-CB 3.49Å; Y87-N110 HydrophobicContact CE1-CB 3.5Å; Y87-N110 VanDerWaalsContact CE1-CB 3.5Å; Q106-N110 VanDerWaalsContact O-CB 3.27Å; Q106-N110 WeakPolarHBondContact O-CB 3.42Å; Q106-N110 PolarHBondContact O-N 2.84Å; Q106-N110 PolarHBondContact O-ND2 3.21Å; N110-R112 VanDerWaalsContact C-N 3.34Å; N110-R112 PolarHBondContact O-N 3.46Å; N110-R113 PolarHBondContact O-N 3.38Å; N110-R114 PolarHBondContact O-N 2.74Å; N110-R114 VanDerWaalsContact O-N 3.1Å
111T78.4Confident79.5Confident24 Ų2459.4 Ų59.415%0.14730%0.301CS..Hα-helixtrans-62-42.5174.9-57.40000111.1Y87 F107 S109 R113 R114 C115 I174 V176Y87-T111 PolarHBondContact OH-OG1 2.63Å; F107-T111 VanDerWaalsContact O-CB 3.29Å; F107-T111 WeakPolarHBondContact O-CB 3.5Å; F107-T111 PolarHBondContact O-N 3.34Å; F107-T111 PolarHBondContact O-OG1 3.37Å; S109-T111 PolarHBondContact O-N 3.02Å; T111-R113 PolarHBondContact O-N 3.33Å; T111-R114 PolarHBondContact O-N 3.23Å; T111-R114 VanDerWaalsContact O-N 3.16Å; T111-C115 PolarHBondContact O-N 3.01Å; T111-I174 HydrophobicContact CG2-CG2 4.38Å; T111-V176 HydrophobicContact CG2-CG2 4.44Å
112R79.8Confident80.8Confident138 Ų13855.7 Ų55.752%0.52129%0.286SS..Hα-helixtrans-61.5-40.3176.7-165.9177.7-172.7176.53112.8A108 S109 N110 R114 R171A108-R112 WeakPolarHBondContact O-CB 3.47Å; A108-R112 PolarHBondContact O-N 2.54Å; A108-R112 VanDerWaalsContact O-N 3.08Å; S109-R112 PolarHBondContact O-N 3.22Å; N110-R112 VanDerWaalsContact C-N 3.34Å; N110-R112 PolarHBondContact O-N 3.46Å; R112-R114 VanDerWaalsContact C-N 3.33Å; R112-R171 HydrophobicContact CG-CB 3.88Å; R112-R171 HydrophobicContact CG-CG 3.73Å
113R75.8Confident81.6Confident175 Ų17555 Ų5566%0.6628%0.28SS*.Hα-helixtrans-68.7-30.7176.3-69.6-179.1-170.9163.11.9112.5S109 N110 T111 C115 D116S109-R113 PolarHBondContact O-N 3.35Å; N110-R113 PolarHBondContact O-N 3.38Å; T111-R113 PolarHBondContact O-N 3.33Å; R113-C115 VanDerWaalsContact C-N 3.35Å; R113-C115 PolarHBondContact O-N 3.5Å; R113-D116 PolarHBondContact O-N 2.8Å
114R77.6Confident82.2Confident139 Ų13961.7 Ų61.753%0.52530%0.304SS..Hα-helixtrans-72.6-26.2-178.7-165.560.3172.8-178-0.7113.4N110 T111 R112 D116 G117 V118N110-R114 PolarHBondContact O-N 2.74Å; N110-R114 VanDerWaalsContact O-N 3.1Å; T111-R114 PolarHBondContact O-N 3.23Å; T111-R114 VanDerWaalsContact O-N 3.16Å; R112-R114 VanDerWaalsContact C-N 3.33Å; R114-D116 PolarHBondContact O-N 3.11Å; R114-G117 WeakPolarHBondContact O-CA 3.42Å; R114-G117 PolarHBondContact O-N 3.35Å; R114-V118 HydrophobicContact CG-CG2 4.29Å; R114-V118 PolarHBondContact O-N 2.88Å
115C82.6Confident82.6Confident6 Ų669 Ų694%0.04133%0.331CS..Hα-helixtrans-51.6-41.9173.5-82.80000112.7T111 R113 G117 V118 V119 C170 R171T111-C115 PolarHBondContact O-N 3.01Å; R113-C115 VanDerWaalsContact C-N 3.35Å; R113-C115 PolarHBondContact O-N 3.5Å; C115-G117 VanDerWaalsContact C-N 3.32Å; C115-G117 PolarHBondContact O-N 2.91Å; C115-V118 PolarHBondContact O-N 3.39Å; C115-V119 WeakPolarHBondContact O-CG2 3.43Å; C115-V119 PolarHBondContact O-N 2.87Å; C115-C170 VanDerWaalsContact CA-SG 3.52Å; C115-C170 HydrophobicContact CB-CB 3.68Å; C115-C170 WeakPolarHBondContact CB-SG 3.36Å; C115-C170 WeakPolarHBondContact SG-CB 3.46Å; C115-C170 PolarHBondContact SG-O 2.88Å; C115-C170 CovalentContact SG-SG 2.04Å; C115-C170 PolarHBondContact SG-SG 3.31Å; C115-R171 HydrophobicContact CB-CG 3.99Å
116D82.4Confident83.2Confident44 Ų4466 Ų6624%0.23532%0.32CS..Hα-helixtrans-62.3-43177.9-60-26000111.1R113 R114 N120 T167 R171R113-D116 PolarHBondContact O-N 2.8Å; R114-D116 PolarHBondContact O-N 3.11Å; D116-N120 WeakPolarHBondContact O-CB 3.4Å; D116-N120 PolarHBondContact O-N 3.41Å; D116-N120 PolarHBondContact O-ND2 2.8Å; D116-T167 WeakPolarHBondContact OD1-CG2 3.48Å; D116-R171 IonicContact OD1-CZ 2.94Å; D116-R171 VanDerWaalsContact OD1-CZ 3.23Å; D116-R171 IonicContact OD1-NE 3.95Å; D116-R171 PolarHBondContact OD1-NE 3.45Å; D116-R171 IonicContact OD1-NH2 3.43Å; D116-R171 PolarHBondContact OD1-NH2 3.11Å; D116-R171 IonicContact OD2-CZ 2.73Å; D116-R171 IonicContact OD2-NE 2.98Å; D116-R171 IonicContact OD2-NH2 3.68Å; D116-R171 PolarHBondContact OD2-NH2 3.43Å
117G83.1Confident83.8Confident33 Ų3364.5 Ų64.534%0.3432%0.316SS..Hα-helixtrans-64.1-43.8177.300000112.9R114 C115 E121R114-G117 WeakPolarHBondContact O-CA 3.42Å; R114-G117 PolarHBondContact O-N 3.35Å; C115-G117 VanDerWaalsContact C-N 3.32Å; C115-G117 PolarHBondContact O-N 2.91Å; G117-E121 VanDerWaalsContact O-CB 3.23Å; G117-E121 WeakPolarHBondContact O-CB 3.24Å; G117-E121 PolarHBondContact O-N 3Å
118V84.4Confident84.5Confident89 Ų8965.4 Ų65.454%0.53933%0.327SS..Hα-helixtrans-66.7-45.1179.9174.70000111.2R114 C115 E121 G122R114-V118 HydrophobicContact CG-CG2 4.29Å; R114-V118 PolarHBondContact O-N 2.88Å; C115-V118 PolarHBondContact O-N 3.39Å; V118-E121 PolarHBondContact O-N 3.2Å; V118-G122 PolarHBondContact O-N 2.95Å
119V87.3Confident85.1Confident13 Ų1369.5 Ų69.58%0.07933%0.333CS..Hα-helixtrans-65.4-45.3178.1174.70000110.6C115 E121 G122 I123 M163 M166 T167C115-V119 WeakPolarHBondContact O-CG2 3.43Å; C115-V119 PolarHBondContact O-N 2.87Å; V119-E121 VanDerWaalsContact C-N 3.35Å; V119-E121 PolarHBondContact O-N 3.25Å; V119-G122 WeakPolarHBondContact O-CA 3.45Å; V119-G122 PolarHBondContact O-N 3.35Å; V119-G122 VanDerWaalsContact O-N 3.16Å; V119-I123 HydrophobicContact CG1-CD1 4.05Å; V119-I123 WeakPolarHBondContact O-CG1 3.22Å; V119-I123 PolarHBondContact O-N 2.81Å; V119-M163 VanDerWaalsContact CG1-O 3.31Å; V119-M163 WeakPolarHBondContact CG1-O 3.41Å; V119-M166 HydrophobicContact CG2-CB 4.23Å; V119-T167 WeakPolarHBondContact CG1-OG1 3.42Å
120N86.8Confident85.7Confident85 Ų8569.2 Ų69.246%0.45533%0.327SS..Hα-helixtrans-62.8-40.1177.4-72.5-24.7000112.4D116 G122 I123 R124D116-N120 WeakPolarHBondContact O-CB 3.4Å; D116-N120 PolarHBondContact O-N 3.41Å; D116-N120 PolarHBondContact O-ND2 2.8Å; N120-G122 VanDerWaalsContact C-N 3.33Å; N120-I123 PolarHBondContact O-N 3.47Å; N120-R124 WeakPolarHBondContact O-CB 3.5Å; N120-R124 PolarHBondContact O-N 3.37Å
121E88Confident86.2Confident58 Ų5874.5 Ų74.527%0.27134%0.344SS..Hα-helixtrans-64.6-39.4174.2177.958.9-164.800111.3G117 V118 V119 R124 R125G117-E121 VanDerWaalsContact O-CB 3.23Å; G117-E121 WeakPolarHBondContact O-CB 3.24Å; G117-E121 PolarHBondContact O-N 3Å; V118-E121 PolarHBondContact O-N 3.2Å; V119-E121 VanDerWaalsContact C-N 3.35Å; V119-E121 PolarHBondContact O-N 3.25Å; E121-R124 VanDerWaalsContact CD-NH2 3.25Å; E121-R124 PolarHBondContact O-N 3.17Å; E121-R124 IonicContact OE1-CZ 2.71Å; E121-R124 IonicContact OE1-NE 3.3Å; E121-R124 IonicContact OE1-NH2 2.93Å; E121-R124 PolarHBondContact OE1-NH2 3.17Å; E121-R124 IonicContact OE2-CZ 3.51Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.23Å; E121-R124 PolarHBondContact OE2-NE 3.48Å; E121-R124 IonicContact OE2-NH2 3.97Å; E121-R124 PolarHBondContact OE2-NH2 2.86Å; E121-R125 WeakPolarHBondContact O-CB 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.26Å; E121-R125 PolarHBondContact O-N 3.11Å; E121-R125 IonicContact OE1-CZ 3.16Å; E121-R125 IonicContact OE1-NE 3.9Å; E121-R125 PolarHBondContact OE1-NE 3.03Å; E121-R125 IonicContact OE1-NH2 3.85Å
122G88.4Confident86.9Confident21 Ų2178.7 Ų78.722%0.21636%0.361CS..Hα-helixtrans-59.2-46.5172.400000112.6V118 V119 N120 R124 R125 C126V118-G122 PolarHBondContact O-N 2.95Å; V119-G122 WeakPolarHBondContact O-CA 3.45Å; V119-G122 PolarHBondContact O-N 3.35Å; V119-G122 VanDerWaalsContact O-N 3.16Å; N120-G122 VanDerWaalsContact C-N 3.33Å; G122-R124 VanDerWaalsContact C-N 3.34Å; G122-R124 PolarHBondContact O-N 3.39Å; G122-R125 PolarHBondContact O-N 3.47Å; G122-C126 WeakPolarHBondContact O-CB 3.37Å; G122-C126 PolarHBondContact O-N 3.33Å
123I89.6Confident87.3Confident20 Ų2075.6 Ų75.610%0.10335%0.352CS..Hα-helixtrans-59.9-46.1175.5-65.6164.7000110.1V119 N120 R125 C126 A127 C160 M163 R164V119-I123 HydrophobicContact CG1-CD1 4.05Å; V119-I123 WeakPolarHBondContact O-CG1 3.22Å; V119-I123 PolarHBondContact O-N 2.81Å; N120-I123 PolarHBondContact O-N 3.47Å; I123-R125 PolarHBondContact O-N 3.14Å; I123-C126 WeakPolarHBondContact O-CB 3.36Å; I123-C126 PolarHBondContact O-N 3.43Å; I123-A127 WeakPolarHBondContact O-CB 3.47Å; I123-A127 PolarHBondContact O-N 3.23Å; I123-C160 HydrophobicContact CG2-CB 4.32Å; I123-M163 HydrophobicContact CG1-CB 3.9Å; I123-R164 HydrophobicContact CD1-CG 3.48Å; I123-R164 VanDerWaalsContact CD1-CG 3.48Å
124R90.4Very high87.9Confident148 Ų14870.3 Ų70.356%0.55833%0.332SS*.Hα-helixtrans-62-42.4179.6-168.2-175.771.287.71.8112.1N120 E121 G122 G128N120-R124 WeakPolarHBondContact O-CB 3.5Å; N120-R124 PolarHBondContact O-N 3.37Å; E121-R124 VanDerWaalsContact CD-NH2 3.25Å; E121-R124 PolarHBondContact O-N 3.17Å; E121-R124 IonicContact OE1-CZ 2.71Å; E121-R124 IonicContact OE1-NE 3.3Å; E121-R124 IonicContact OE1-NH2 2.93Å; E121-R124 PolarHBondContact OE1-NH2 3.17Å; E121-R124 IonicContact OE2-CZ 3.51Å; E121-R124 VanDerWaalsContact OE2-CZ 3.3Å; E121-R124 IonicContact OE2-NE 3.23Å; E121-R124 PolarHBondContact OE2-NE 3.48Å; E121-R124 IonicContact OE2-NH2 3.97Å; E121-R124 PolarHBondContact OE2-NH2 2.86Å; G122-R124 VanDerWaalsContact C-N 3.34Å; G122-R124 PolarHBondContact O-N 3.39Å; R124-G128 PolarHBondContact O-N 3.01Å
125R90.9Very high88.3Confident176 Ų17666.1 Ų66.166%0.66432%0.324SS*.Hα-helixtrans-67.2-41.3176-73.6-174.8-177-161.5-0.4112E121 G122 I123 G128 W129E121-R125 WeakPolarHBondContact O-CB 3.23Å; E121-R125 WeakPolarHBondContact O-CG 3.26Å; E121-R125 PolarHBondContact O-N 3.11Å; E121-R125 IonicContact OE1-CZ 3.16Å; E121-R125 IonicContact OE1-NE 3.9Å; E121-R125 PolarHBondContact OE1-NE 3.03Å; E121-R125 IonicContact OE1-NH2 3.85Å; G122-R125 PolarHBondContact O-N 3.47Å; I123-R125 PolarHBondContact O-N 3.14Å; R125-G128 PolarHBondContact O-N 3.12Å; R125-W129 PolarHBondContact O-N 3.32Å
126C90.8Very high88.6Confident37 Ų3769.6 Ų69.625%0.2534%0.34CS..Hα-helixtrans-59.9-51.6174.5177.40000111.3G122 I123 G128 W129 F130 C160G122-C126 WeakPolarHBondContact O-CB 3.37Å; G122-C126 PolarHBondContact O-N 3.33Å; I123-C126 WeakPolarHBondContact O-CB 3.36Å; I123-C126 PolarHBondContact O-N 3.43Å; C126-G128 PolarHBondContact O-N 3.28Å; C126-W129 WeakPolarHBondContact O-CB 3.3Å; C126-W129 PolarHBondContact O-N 3.36Å; C126-W129 VanDerWaalsContact O-N 3.07Å; C126-F130 WeakPolarHBondContact O-CD2 3.28Å; C126-F130 PolarHBondContact O-N 3.49Å; C126-F130 VanDerWaalsContact O-N 3.07Å; C126-C160 HydrophobicContact CB-CB 3.67Å; C126-C160 WeakPolarHBondContact CB-SG 3.28Å; C126-C160 WeakPolarHBondContact SG-CB 3.3Å; C126-C160 CovalentContact SG-SG 2.04Å; C126-C160 PolarHBondContact SG-SG 3.28Å
127A90.4Very high88.8Confident14 Ų1469 Ų6912%0.11634%0.339CS..Hα-helixtrans-63.8-31.9176.600000112.1I123 R131 D157 C160I123-A127 WeakPolarHBondContact O-CB 3.47Å; I123-A127 PolarHBondContact O-N 3.23Å; A127-R131 WeakPolarHBondContact O-CG 3.46Å; A127-R131 PolarHBondContact O-N 3.39Å; A127-R131 PolarHBondContact O-NE 3.07Å; A127-R131 VanDerWaalsContact O-NE 3.13Å; A127-D157 HydrophobicContact CB-CB 4.22Å; A127-C160 PolarHBondContact N-SG 3.42Å; A127-C160 VanDerWaalsContact N-SG 3.36Å
128G92.4Very high88.8Confident26 Ų2670 Ų7027%0.26834%0.335SS..Hα-helixtrans-63.6-43.617100000112.6R124 R125 C126 R131 Q132R124-G128 PolarHBondContact O-N 3.01Å; R125-G128 PolarHBondContact O-N 3.12Å; C126-G128 PolarHBondContact O-N 3.28Å; G128-R131 PolarHBondContact O-N 3.42Å; G128-Q132 WeakPolarHBondContact O-CB 3.35Å; G128-Q132 PolarHBondContact O-N 3.28Å
129W92.3Very high88.8Confident129 Ų12973.8 Ų73.849%0.48934%0.344SS..Hα-helixtrans-63.4-46178.6-175.892.9000112R125 C126 R131 Q132 K133R125-W129 PolarHBondContact O-N 3.32Å; C126-W129 WeakPolarHBondContact O-CB 3.3Å; C126-W129 PolarHBondContact O-N 3.36Å; C126-W129 VanDerWaalsContact O-N 3.07Å; W129-R131 VanDerWaalsContact C-N 3.35Å; W129-R131 PolarHBondContact O-N 2.94Å; W129-Q132 PolarHBondContact O-N 3Å; W129-K133 HydrophobicContact CD2-CG 3.88Å; W129-K133 HydrophobicContact CE3-CG 4.07Å; W129-K133 HydrophobicContact CH2-CG 3.85Å; W129-K133 HydrophobicContact CZ2-CD 4.28Å; W129-K133 HydrophobicContact CZ2-CG 3.64Å; W129-K133 HydrophobicContact CZ3-CG 4.05Å; W129-K133 WeakPolarHBondContact O-CG 3.26Å; W129-K133 PolarHBondContact O-N 3.28Å
130F91.1Very high88.6Confident37 Ų3776.9 Ų76.916%0.16237%0.371CS..Hα-helixtrans-58.7-45.9175.3-85.3-74.5000111.8C126 Q132 K133 W134 D157 C160C126-F130 WeakPolarHBondContact O-CD2 3.28Å; C126-F130 PolarHBondContact O-N 3.49Å; C126-F130 VanDerWaalsContact O-N 3.07Å; F130-Q132 VanDerWaalsContact C-N 3.34Å; F130-Q132 PolarHBondContact O-N 3.09Å; F130-K133 PolarHBondContact O-N 2.94Å; F130-W134 WeakPolarHBondContact O-CB 3.29Å; F130-W134 PolarHBondContact O-N 3.43Å; F130-D157 HydrophobicContact CB-CB 4.22Å; F130-C160 VanDerWaalsContact CD2-SG 3.56Å
131R88.4Confident88.3Confident153 Ų15375 Ų7558%0.57736%0.361SS*.Hα-helixtrans-61.2-40.5176-75.8-177-75172.2-7.4112.8A127 G128 W129 S135A127-R131 WeakPolarHBondContact O-CG 3.46Å; A127-R131 PolarHBondContact O-N 3.39Å; A127-R131 PolarHBondContact O-NE 3.07Å; A127-R131 VanDerWaalsContact O-NE 3.13Å; G128-R131 PolarHBondContact O-N 3.42Å; W129-R131 VanDerWaalsContact C-N 3.35Å; W129-R131 PolarHBondContact O-N 2.94Å; R131-S135 PolarHBondContact O-N 3.39Å
132Q91.8Very high87.4Confident111 Ų11178 Ų7852%0.51939%0.385SS..Hα-helixtrans-64.9-48176.6-177178.4-9.600111.2G128 W129 F130 W134 S135 E136G128-Q132 WeakPolarHBondContact O-CB 3.35Å; G128-Q132 PolarHBondContact O-N 3.28Å; W129-Q132 PolarHBondContact O-N 3Å; F130-Q132 VanDerWaalsContact C-N 3.34Å; F130-Q132 PolarHBondContact O-N 3.09Å; Q132-W134 VanDerWaalsContact C-N 3.34Å; Q132-W134 PolarHBondContact O-N 3.48Å; Q132-S135 WeakPolarHBondContact O-CB 3.26Å; Q132-S135 PolarHBondContact O-N 2.86Å; Q132-S135 VanDerWaalsContact O-N 3.13Å; Q132-E136 WeakPolarHBondContact CG-OE1 3.24Å; Q132-E136 PolarHBondContact NE2-OE1 3.49Å; Q132-E136 PolarHBondContact O-N 2.88Å
133K89.1Confident86.8Confident73 Ų7380.5 Ų80.532%0.31740%0.396SS..Hα-helixtrans-65.2-35.6178.8-70.1-54.2-178.5-171.50113.4W129 F130 E136 C137 M154W129-K133 HydrophobicContact CD2-CG 3.88Å; W129-K133 HydrophobicContact CE3-CG 4.07Å; W129-K133 HydrophobicContact CH2-CG 3.85Å; W129-K133 HydrophobicContact CZ2-CD 4.28Å; W129-K133 HydrophobicContact CZ2-CG 3.64Å; W129-K133 HydrophobicContact CZ3-CG 4.05Å; W129-K133 WeakPolarHBondContact O-CG 3.26Å; W129-K133 PolarHBondContact O-N 3.28Å; F130-K133 PolarHBondContact O-N 2.94Å; K133-E136 WeakPolarHBondContact CD-OE2 3.43Å; K133-E136 IonicContact NZ-OE2 3.03Å; K133-E136 PolarHBondContact NZ-OE2 3.24Å; K133-E136 PolarHBondContact O-N 3.38Å; K133-C137 WeakPolarHBondContact O-CB 3.31Å; K133-C137 PolarHBondContact O-N 3.03Å; K133-M154 HydrophobicContact CB-CG 4.49Å; K133-M154 HydrophobicContact CB-SD 4.12Å
134W87.6Confident85.7Confident64 Ų6484.1 Ų84.124%0.24242%0.421CS..Hα-helixtrans-57-48169.4172.3-94000111.6F130 Q132 C137 M138 C151 V152 M154 K155F130-W134 WeakPolarHBondContact O-CB 3.29Å; F130-W134 PolarHBondContact O-N 3.43Å; Q132-W134 VanDerWaalsContact C-N 3.34Å; Q132-W134 PolarHBondContact O-N 3.48Å; W134-C137 PolarHBondContact O-N 3.39Å; W134-M138 HydrophobicContact CD2-CG 4.33Å; W134-M138 HydrophobicContact CH2-SD 4.25Å; W134-M138 HydrophobicContact CZ2-CG 4.07Å; W134-M138 HydrophobicContact CZ2-SD 3.91Å; W134-M138 WeakPolarHBondContact O-CB 3.27Å; W134-M138 VanDerWaalsContact O-CG 3.31Å; W134-M138 WeakPolarHBondContact O-CG 3.48Å; W134-M138 PolarHBondContact O-N 2.92Å; W134-C151 HydrophobicContact CE3-CB 3.93Å; W134-C151 HydrophobicContact CH2-CB 4.38Å; W134-C151 HydrophobicContact CZ3-CB 3.73Å; W134-C151 WeakPolarHBondContact CZ3-O 3.5Å; W134-V152 HydrophobicContact CZ3-CG2 4.5Å; W134-M154 HydrophobicContact CB-CB 4.12Å; W134-M154 HydrophobicContact CE3-CB 4.27Å; W134-K155 HydrophobicContact CE3-CB 4.12Å; W134-K155 HydrophobicContact CZ3-CB 4.23Å
135S86.4Confident84.7Confident52 Ų5283.4 Ų83.436%0.36443%0.427SS..Hα-helixtrans-65.1-40.7178.9-172.50000113R131 Q132 K139R131-S135 PolarHBondContact O-N 3.39Å; Q132-S135 WeakPolarHBondContact O-CB 3.26Å; Q132-S135 PolarHBondContact O-N 2.86Å; Q132-S135 VanDerWaalsContact O-N 3.13Å; S135-K139 WeakPolarHBondContact O-CG 3.41Å; S135-K139 PolarHBondContact O-N 2.89Å
136E89.1Confident83.7Confident79 Ų7979.5 Ų79.537%0.36942%0.418SS..Hα-helixtrans-64.5-43.9175.9-72.1172.4-167.800111.5Q132 K133 K139 A140Q132-E136 WeakPolarHBondContact CG-OE1 3.24Å; Q132-E136 PolarHBondContact NE2-OE1 3.49Å; Q132-E136 PolarHBondContact O-N 2.88Å; K133-E136 WeakPolarHBondContact CD-OE2 3.43Å; K133-E136 IonicContact NZ-OE2 3.03Å; K133-E136 PolarHBondContact NZ-OE2 3.24Å; K133-E136 PolarHBondContact O-N 3.38Å; E136-K139 PolarHBondContact O-N 2.86Å; E136-A140 PolarHBondContact O-N 3.44Å; E136-A140 VanDerWaalsContact O-N 3.11Å
137C85.9Confident82.7Confident32 Ų3278.1 Ų78.122%0.21641%0.409CS..Hα-helixtrans-61.6-45.9177.1-171.30000111.6K133 W134 K139 A140 I141 C151K133-C137 WeakPolarHBondContact O-CB 3.31Å; K133-C137 PolarHBondContact O-N 3.03Å; W134-C137 PolarHBondContact O-N 3.39Å; C137-K139 PolarHBondContact O-N 3.49Å; C137-A140 PolarHBondContact O-N 3.47Å; C137-I141 PolarHBondContact O-N 2.86Å; C137-C151 HydrophobicContact CB-CB 3.89Å; C137-C151 WeakPolarHBondContact CB-SG 3.32Å; C137-C151 VanDerWaalsContact SG-CA 3.56Å; C137-C151 WeakPolarHBondContact SG-CB 3.19Å; C137-C151 CovalentContact SG-SG 2.03Å; C137-C151 PolarHBondContact SG-SG 3.47Å
138M82.8Confident81.9Confident52 Ų5282.2 Ų82.226%0.25643%0.425SS..Hα-helixtrans-61.6-28.6177.7-74.5-64.8-56.100113.4W134 N147 H148 C151W134-M138 HydrophobicContact CD2-CG 4.33Å; W134-M138 HydrophobicContact CH2-SD 4.25Å; W134-M138 HydrophobicContact CZ2-CG 4.07Å; W134-M138 HydrophobicContact CZ2-SD 3.91Å; W134-M138 WeakPolarHBondContact O-CB 3.27Å; W134-M138 VanDerWaalsContact O-CG 3.31Å; W134-M138 WeakPolarHBondContact O-CG 3.48Å; W134-M138 PolarHBondContact O-N 2.92Å; M138-N147 WeakPolarHBondContact CA-ND2 3.39Å; M138-N147 WeakPolarHBondContact CA-OD1 3.4Å; M138-N147 WeakPolarHBondContact CE-ND2 3.2Å; M138-N147 PolarHBondContact O-ND2 3.47Å; M138-N147 VanDerWaalsContact SD-CG 3.57Å; M138-N147 PolarHBondContact SD-OD1 3.5Å; M138-H148 VanDerWaalsContact CE-CE1 3.41Å; M138-H148 WeakPolarHBondContact CE-CE1 3.22Å; M138-C151 HydrophobicContact SD-CB 4.42Å
139K84.6Confident81.3Confident169 Ų16987.1 Ų87.174%0.73544%0.444SS*.Hα-helixtrans-82.8-31.1177.3-72.9173-177.81750113.2S135 E136 C137S135-K139 WeakPolarHBondContact O-CG 3.41Å; S135-K139 PolarHBondContact O-N 2.89Å; E136-K139 PolarHBondContact O-N 2.86Å; C137-K139 PolarHBondContact O-N 3.49Å
140A84.3Confident80.6Confident79 Ų7986 Ų8665%0.65345%0.447SS*.Hα-helixtrans-78-26.2-175.500000113.6E136 C137 P142E136-A140 PolarHBondContact O-N 3.44Å; E136-A140 VanDerWaalsContact O-N 3.11Å; C137-A140 PolarHBondContact O-N 3.47Å; A140-P142 WeakPolarHBondContact O-CD 3.44Å
141I80.4Confident80.2Confident45 Ų4584.2 Ų84.223%0.23144%0.439CS..  trans-109.999.2-177.9-54.6175.6000109.5C137 V143 N147 L150C137-I141 PolarHBondContact O-N 2.86Å; I141-V143 PolarHBondContact O-N 3.46Å; I141-N147 HydrophobicContact CB-CB 4.05Å; I141-N147 HydrophobicContact CG2-CB 3.9Å; I141-N147 WeakPolarHBondContact O-CB 3.44Å; I141-N147 VanDerWaalsContact O-CG 3.27Å; I141-N147 PolarHBondContact O-ND2 2.93Å; I141-L150 HydrophobicContact CD1-CB 4.26Å; I141-L150 HydrophobicContact CD1-CD1 3.98Å
142P69.8Low80Confident120 Ų12080.2 Ų80.278%0.77943%0.431SS*.  trans-76.9-3.2-172.729.3-34.9000114.5A140 P144A140-P142 WeakPolarHBondContact O-CD 3.44Å; P142-P144 WeakPolarHBondContact O-CD 3.45Å
143V73.9Confident79.4Confident74 Ų7477.6 Ų77.645%0.44843%0.425SS..  trans-88.5114.8-177.1-169.90000110.6I141 I145 I146 N147I141-V143 PolarHBondContact O-N 3.46Å; V143-I145 VanDerWaalsContact C-N 3.33Å; V143-I145 PolarHBondContact O-N 2.93Å; V143-I146 HydrophobicContact CB-CB 4.4Å; V143-I146 HydrophobicContact CG1-CB 4.43Å; V143-I146 HydrophobicContact CG1-CD1 4.1Å; V143-I146 HydrophobicContact CG1-CG1 4.21Å; V143-I146 PolarHBondContact O-N 2.99Å; V143-N147 WeakPolarHBondContact O-CB 3.38Å; V143-N147 PolarHBondContact O-N 3.34Å
144P67.6Low79.1Confident97 Ų9776.9 Ų76.963%0.6342%0.424SS*.Hα-helixtrans-65.3-26.7-163.619.7-30.5000115.4P142 H148P142-P144 WeakPolarHBondContact O-CD 3.45Å; P144-H148 PolarHBondContact O-CD2 2.86Å
145I70.1Confident78.8Confident133 Ų13380.6 Ų80.668%0.68244%0.442SS*.Hα-helixtrans-90.1-38.1-178.3-56.6171.9000111.6V143V143-I145 VanDerWaalsContact C-N 3.33Å; V143-I145 PolarHBondContact O-N 2.93Å
146I69.9Low78.8Confident93 Ų9382.4 Ų82.448%0.47744%0.443SS..Hα-helixtrans-77.7-34.1-176.6-60176000111.2V143 H148 I149 L150V143-I146 HydrophobicContact CB-CB 4.4Å; V143-I146 HydrophobicContact CG1-CB 4.43Å; V143-I146 HydrophobicContact CG1-CD1 4.1Å; V143-I146 HydrophobicContact CG1-CG1 4.21Å; V143-I146 PolarHBondContact O-N 2.99Å; I146-H148 PolarHBondContact O-N 3.1Å; I146-I149 PolarHBondContact O-N 3.38Å; I146-L150 HydrophobicContact CG2-CD1 3.72Å; I146-L150 HydrophobicContact CG2-CG 4.28Å; I146-L150 PolarHBondContact O-N 3.33Å; I146-L150 VanDerWaalsContact O-N 3.15Å
147N70.1Confident78.4Confident9 Ų981.9 Ų81.95%0.04844%0.443CS..Hα-helixtrans-58.7-47.5-179.8-174.22.4000112.4M138 I141 V143 I149 L150 C151M138-N147 WeakPolarHBondContact CA-ND2 3.39Å; M138-N147 WeakPolarHBondContact CA-OD1 3.4Å; M138-N147 WeakPolarHBondContact CE-ND2 3.2Å; M138-N147 PolarHBondContact O-ND2 3.47Å; M138-N147 VanDerWaalsContact SD-CG 3.57Å; M138-N147 PolarHBondContact SD-OD1 3.5Å; I141-N147 HydrophobicContact CB-CB 4.05Å; I141-N147 HydrophobicContact CG2-CB 3.9Å; I141-N147 WeakPolarHBondContact O-CB 3.44Å; I141-N147 VanDerWaalsContact O-CG 3.27Å; I141-N147 PolarHBondContact O-ND2 2.93Å; V143-N147 WeakPolarHBondContact O-CB 3.38Å; V143-N147 PolarHBondContact O-N 3.34Å; N147-I149 VanDerWaalsContact C-N 3.33Å; N147-I149 PolarHBondContact O-N 2.98Å; N147-L150 PolarHBondContact O-N 3.44Å; N147-C151 WeakPolarHBondContact O-CB 3.33Å; N147-C151 PolarHBondContact O-N 3.48Å; N147-C151 PolarHBondContact O-SG 3.41Å; N147-C151 PolarHBondContact OD1-SG 2.72Å
148H73Confident78.3Confident99 Ų9986.2 Ų86.246%0.45846%0.458SS..Hα-helixtrans-64.4-34.3179.4-79-60.1000113.2M138 P144 I146 V152M138-H148 VanDerWaalsContact CE-CE1 3.41Å; M138-H148 WeakPolarHBondContact CE-CE1 3.22Å; P144-H148 PolarHBondContact O-CD2 2.86Å; I146-H148 PolarHBondContact O-N 3.1Å; H148-V152 WeakPolarHBondContact O-CG2 3.39Å; H148-V152 PolarHBondContact O-N 3.4Å
149I78.5Confident78.3Confident130 Ų13088 Ų8867%0.66747%0.468SS*.Hα-helixtrans-72.3-45-179.9-64.2171.8000111I146 N147I146-I149 PolarHBondContact O-N 3.38Å; N147-I149 VanDerWaalsContact C-N 3.33Å; N147-I149 PolarHBondContact O-N 2.98Å
150L78.4Confident78.5Confident105 Ų10580 Ų8055%0.5543%0.434SS..Hα-helixtrans-72.5-36.6-177.8-69.6174.3000112.6I141 I146 N147 S153I141-L150 HydrophobicContact CD1-CB 4.26Å; I141-L150 HydrophobicContact CD1-CD1 3.98Å; I146-L150 HydrophobicContact CG2-CD1 3.72Å; I146-L150 HydrophobicContact CG2-CG 4.28Å; I146-L150 PolarHBondContact O-N 3.33Å; I146-L150 VanDerWaalsContact O-N 3.15Å; N147-L150 PolarHBondContact O-N 3.44Å; L150-S153 PolarHBondContact O-OG 3.02Å
151C82.7Confident78.5Confident0 Ų079.8 Ų79.80%042%0.422CS..Hα-helixtrans-82.2-13.8-176.8-58.50000113.9W134 C137 M138 N147 S153 M154W134-C151 HydrophobicContact CE3-CB 3.93Å; W134-C151 HydrophobicContact CH2-CB 4.38Å; W134-C151 HydrophobicContact CZ3-CB 3.73Å; W134-C151 WeakPolarHBondContact CZ3-O 3.5Å; C137-C151 HydrophobicContact CB-CB 3.89Å; C137-C151 WeakPolarHBondContact CB-SG 3.32Å; C137-C151 VanDerWaalsContact SG-CA 3.56Å; C137-C151 WeakPolarHBondContact SG-CB 3.19Å; C137-C151 CovalentContact SG-SG 2.03Å; C137-C151 PolarHBondContact SG-SG 3.47Å; M138-C151 HydrophobicContact SD-CB 4.42Å; N147-C151 WeakPolarHBondContact O-CB 3.33Å; N147-C151 PolarHBondContact O-N 3.48Å; N147-C151 PolarHBondContact O-SG 3.41Å; N147-C151 PolarHBondContact OD1-SG 2.72Å; C151-S153 PolarHBondContact O-N 2.92Å; C151-S153 VanDerWaalsContact O-N 3.11Å; C151-M154 WeakPolarHBondContact O-CB 3.19Å; C151-M154 PolarHBondContact O-N 2.99Å
152V83.6Confident78.7Confident68 Ų6882.4 Ų82.441%0.41244%0.44SS..G310 helixtrans-53.2-34.3-176.6152.10000113.6W134 H148 M154 K155 F156W134-V152 HydrophobicContact CZ3-CG2 4.5Å; H148-V152 WeakPolarHBondContact O-CG2 3.39Å; H148-V152 PolarHBondContact O-N 3.4Å; V152-M154 PolarHBondContact O-N 3.07Å; V152-M154 VanDerWaalsContact O-N 3.15Å; V152-K155 WeakPolarHBondContact O-CB 3.44Å; V152-K155 PolarHBondContact O-N 2.91Å; V152-F156 HydrophobicContact CG1-CE1 4.47Å; V152-F156 HydrophobicContact CG1-CZ 4.21Å
153S79.7Confident79.3Confident56 Ų5680.4 Ų80.439%0.39242%0.421SS..G310 helixtrans-55.7-29.3174560000113.4L150 C151 K155 F156L150-S153 PolarHBondContact O-OG 3.02Å; C151-S153 PolarHBondContact O-N 2.92Å; C151-S153 VanDerWaalsContact O-N 3.11Å; S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact O-N 2.81Å; S153-F156 WeakPolarHBondContact O-CD2 3.28Å
154M83.2Confident79.8Confident59 Ų5984 Ų8429%0.29143%0.426SS..G310 helixtrans-81.5-2.4179.1-57-62.9150.500113.7K133 W134 C151 V152K133-M154 HydrophobicContact CB-CG 4.49Å; K133-M154 HydrophobicContact CB-SD 4.12Å; W134-M154 HydrophobicContact CB-CB 4.12Å; W134-M154 HydrophobicContact CE3-CB 4.27Å; C151-M154 WeakPolarHBondContact O-CB 3.19Å; C151-M154 PolarHBondContact O-N 2.99Å; V152-M154 PolarHBondContact O-N 3.07Å; V152-M154 VanDerWaalsContact O-N 3.15Å
155K81.9Confident80.7Confident142 Ų14285.4 Ų85.462%0.61743%0.427SS*.G310 helixtrans-91.7-3.5176.9-162177.4175.7-178.90112.9W134 V152 S153 D157W134-K155 HydrophobicContact CE3-CB 4.12Å; W134-K155 HydrophobicContact CZ3-CB 4.23Å; V152-K155 WeakPolarHBondContact O-CB 3.44Å; V152-K155 PolarHBondContact O-N 2.91Å; S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact O-N 2.81Å; K155-D157 PolarHBondContact O-N 2.94Å
156F85.6Confident81.4Confident89 Ų8983 Ų8339%0.3941%0.414SS..  trans-8253.5-177.6-59.1-31.1000113.2V152 S153 F158 L159V152-F156 HydrophobicContact CG1-CE1 4.47Å; V152-F156 HydrophobicContact CG1-CZ 4.21Å; S153-F156 WeakPolarHBondContact O-CD2 3.28Å; F156-F158 HydrophobicContact CB-CD1 4.14Å; F156-F158 HydrophobicContact CB-CE1 3.67Å; F156-F158 HydrophobicContact CB-CZ 4.31Å; F156-F158 HydrophobicContact CD1-CD1 4.37Å; F156-F158 AromaticContact CD1-CE1 3.54Å; F156-F158 HydrophobicContact CD1-CE1 3.54Å; F156-F158 HydrophobicContact CD1-CZ 4.39Å; F156-F158 HydrophobicContact CE1-CE1 4.39Å; F156-F158 AromaticContact CG-CE1 3.81Å; F156-F158 HydrophobicContact CG-CE1 3.81Å; F156-F158 HydrophobicContact CG-CZ 4.41Å; F156-F158 PolarHBondContact O-N 3.22Å; F156-L159 HydrophobicContact CB-CD1 3.85Å; F156-L159 HydrophobicContact CB-CG 4.24Å; F156-L159 WeakPolarHBondContact O-CB 3.36Å; F156-L159 PolarHBondContact O-N 2.92Å
157D81.3Confident82Confident68 Ų6879.6 Ų79.636%0.36440%0.397SS..G310 helixtrans-66.8-20.4176.664.2-16.3000113.4A127 F130 K155 L159 C160A127-D157 HydrophobicContact CB-CB 4.22Å; F130-D157 HydrophobicContact CB-CB 4.22Å; K155-D157 PolarHBondContact O-N 2.94Å; D157-L159 PolarHBondContact O-N 3.27Å; D157-L159 VanDerWaalsContact O-N 3.17Å; D157-C160 WeakPolarHBondContact O-CB 3.32Å; D157-C160 PolarHBondContact O-N 3.39Å; D157-C160 PolarHBondContact O-SG 2.85Å
158F82.8Confident82.8Confident124 Ų12482.4 Ų82.454%0.54442%0.416SS..G310 helixtrans-57.9-24.9171.874.6-94.7000113.4F156 C160 D161F156-F158 HydrophobicContact CB-CD1 4.14Å; F156-F158 HydrophobicContact CB-CE1 3.67Å; F156-F158 HydrophobicContact CB-CZ 4.31Å; F156-F158 HydrophobicContact CD1-CD1 4.37Å; F156-F158 AromaticContact CD1-CE1 3.54Å; F156-F158 HydrophobicContact CD1-CE1 3.54Å; F156-F158 HydrophobicContact CD1-CZ 4.39Å; F156-F158 HydrophobicContact CE1-CE1 4.39Å; F156-F158 AromaticContact CG-CE1 3.81Å; F156-F158 HydrophobicContact CG-CE1 3.81Å; F156-F158 HydrophobicContact CG-CZ 4.41Å; F156-F158 PolarHBondContact O-N 3.22Å; F158-C160 PolarHBondContact O-N 2.9Å; F158-D161 PolarHBondContact O-N 3.37Å
159L83.6Confident83.3Confident88 Ų8884.3 Ų84.346%0.46142%0.42SS..G310 helixtrans-65.2-22.5175.6-67.1173000112F156 D157 D161 V162F156-L159 HydrophobicContact CB-CD1 3.85Å; F156-L159 HydrophobicContact CB-CG 4.24Å; F156-L159 WeakPolarHBondContact O-CB 3.36Å; F156-L159 PolarHBondContact O-N 2.92Å; D157-L159 PolarHBondContact O-N 3.27Å; D157-L159 VanDerWaalsContact O-N 3.17Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.99Å; L159-V162 WeakPolarHBondContact O-CB 3.5Å; L159-V162 WeakPolarHBondContact O-CG2 3.29Å; L159-V162 PolarHBondContact O-N 2.96Å
160C87.4Confident83.6Confident3 Ų378.8 Ų78.82%0.0239%0.392CS..G310 helixtrans-66.9-26.4176.8-62.60000112.9I123 C126 A127 F130 D157 F158 V162 M163I123-C160 HydrophobicContact CG2-CB 4.32Å; C126-C160 HydrophobicContact CB-CB 3.67Å; C126-C160 WeakPolarHBondContact CB-SG 3.28Å; C126-C160 WeakPolarHBondContact SG-CB 3.3Å; C126-C160 CovalentContact SG-SG 2.04Å; C126-C160 PolarHBondContact SG-SG 3.28Å; A127-C160 PolarHBondContact N-SG 3.42Å; A127-C160 VanDerWaalsContact N-SG 3.36Å; F130-C160 VanDerWaalsContact CD2-SG 3.56Å; D157-C160 WeakPolarHBondContact O-CB 3.32Å; D157-C160 PolarHBondContact O-N 3.39Å; D157-C160 PolarHBondContact O-SG 2.85Å; F158-C160 PolarHBondContact O-N 2.9Å; C160-V162 PolarHBondContact O-N 3.46Å; C160-M163 WeakPolarHBondContact O-CB 3.29Å; C160-M163 PolarHBondContact O-N 3.44Å; C160-M163 VanDerWaalsContact O-N 3.12Å
161D85.3Confident83.8Confident74 Ų7478.6 Ų78.640%0.39638%0.384SS..G310 helixtrans-67.1-16.3178.4-88.5-45.3000113F158 L159 M163 R164F158-D161 PolarHBondContact O-N 3.37Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.99Å; D161-M163 PolarHBondContact O-N 3.49Å; D161-M163 VanDerWaalsContact O-N 3.14Å; D161-R164 WeakPolarHBondContact O-CB 3.39Å; D161-R164 WeakPolarHBondContact O-CG 3.35Å; D161-R164 PolarHBondContact O-N 2.86Å; D161-R164 IonicContact OD1-CZ 3.57Å; D161-R164 IonicContact OD1-NE 2.74Å; D161-R164 PolarHBondContact OD1-NE 3.38Å; D161-R164 IonicContact OD1-NH2 3.36Å; D161-R164 PolarHBondContact OD1-NH2 3.11Å
162V85.4Confident83.6Confident100 Ų10085 Ų8561%0.60642%0.415SS*.G310 helixtrans-56.4-28.9171176.20000111.1L159 C160 R164 I165L159-V162 WeakPolarHBondContact O-CB 3.5Å; L159-V162 WeakPolarHBondContact O-CG2 3.29Å; L159-V162 PolarHBondContact O-N 2.96Å; C160-V162 PolarHBondContact O-N 3.46Å; V162-R164 PolarHBondContact O-N 2.92Å; V162-R164 VanDerWaalsContact O-N 3.1Å; V162-I165 VanDerWaalsContact O-CG2 3.23Å; V162-I165 WeakPolarHBondContact O-CG2 3.15Å; V162-I165 PolarHBondContact O-N 3.4Å; V162-I165 VanDerWaalsContact O-N 3.14Å
163M81.6Confident83.2Confident77 Ų7787.4 Ų87.438%0.37942%0.421SS..G310 helixtrans-62.2-16.5176.1-65.4-130.5-65.600113.9V119 I123 C160 D161 I165 M166V119-M163 VanDerWaalsContact CG1-O 3.31Å; V119-M163 WeakPolarHBondContact CG1-O 3.41Å; I123-M163 HydrophobicContact CG1-CB 3.9Å; C160-M163 WeakPolarHBondContact O-CB 3.29Å; C160-M163 PolarHBondContact O-N 3.44Å; C160-M163 VanDerWaalsContact O-N 3.12Å; D161-M163 PolarHBondContact O-N 3.49Å; D161-M163 VanDerWaalsContact O-N 3.14Å; M163-I165 PolarHBondContact O-N 3.1Å; M163-I165 VanDerWaalsContact O-N 3.15Å; M163-M166 WeakPolarHBondContact O-CB 3.4Å; M163-M166 PolarHBondContact O-N 2.99Å
164R84.6Confident82.8Confident150 Ų15088.7 Ų88.757%0.56642%0.423SS*.G310 helixtrans-60.2-22.2173.5-68.3-178-175.6-139.31113.1I123 D161 V162 M166 T167I123-R164 HydrophobicContact CD1-CG 3.48Å; I123-R164 VanDerWaalsContact CD1-CG 3.48Å; D161-R164 WeakPolarHBondContact O-CB 3.39Å; D161-R164 WeakPolarHBondContact O-CG 3.35Å; D161-R164 PolarHBondContact O-N 2.86Å; D161-R164 IonicContact OD1-CZ 3.57Å; D161-R164 IonicContact OD1-NE 2.74Å; D161-R164 PolarHBondContact OD1-NE 3.38Å; D161-R164 IonicContact OD1-NH2 3.36Å; D161-R164 PolarHBondContact OD1-NH2 3.11Å; V162-R164 PolarHBondContact O-N 2.92Å; V162-R164 VanDerWaalsContact O-N 3.1Å; R164-M166 PolarHBondContact O-N 3.41Å; R164-T167 WeakPolarHBondContact O-CB 3.41Å; R164-T167 PolarHBondContact O-N 3.39Å; R164-T167 VanDerWaalsContact O-N 3.12Å; R164-T167 PolarHBondContact O-OG1 3.48Å
165I86.5Confident82.2Confident127 Ų12790.9 Ų90.965%0.65144%0.441SS*.G310 helixtrans-63.9-21.6173.8-153166.7000112.3V162 M163 T167 P168V162-I165 VanDerWaalsContact O-CG2 3.23Å; V162-I165 WeakPolarHBondContact O-CG2 3.15Å; V162-I165 PolarHBondContact O-N 3.4Å; V162-I165 VanDerWaalsContact O-N 3.14Å; M163-I165 PolarHBondContact O-N 3.1Å; M163-I165 VanDerWaalsContact O-N 3.15Å; I165-T167 VanDerWaalsContact C-N 3.29Å; I165-T167 PolarHBondContact O-N 3.2Å; I165-P168 WeakPolarHBondContact O-CD 3.5Å; I165-P168 WeakPolarHBondContact O-CG 3.37Å
166M83.5Confident81.8Confident81 Ų8185.6 Ų85.640%0.39942%0.421SS..Hα-helixtrans-76.2-15.2176.7-61.6-64.7-67.600112.9V119 M163 R164 W169 C170V119-M166 HydrophobicContact CG2-CB 4.23Å; M163-M166 WeakPolarHBondContact O-CB 3.4Å; M163-M166 PolarHBondContact O-N 2.99Å; R164-M166 PolarHBondContact O-N 3.41Å; M166-W169 HydrophobicContact CE-CD2 4.12Å; M166-W169 HydrophobicContact CE-CE3 3.53Å; M166-W169 HydrophobicContact CE-CZ3 3.76Å; M166-W169 PolarHBondContact O-N 2.96Å; M166-C170 WeakPolarHBondContact O-CB 3.42Å; M166-C170 PolarHBondContact O-N 3.4Å
167T84.3Confident81.4Confident22 Ų2288.5 Ų88.514%0.13544%0.435CS..Hα-helixtrans-63.1-54.2179.7-57.70000113.4D116 V119 R164 I165 W169 C170 R171D116-T167 WeakPolarHBondContact OD1-CG2 3.48Å; V119-T167 WeakPolarHBondContact CG1-OG1 3.42Å; R164-T167 WeakPolarHBondContact O-CB 3.41Å; R164-T167 PolarHBondContact O-N 3.39Å; R164-T167 VanDerWaalsContact O-N 3.12Å; R164-T167 PolarHBondContact O-OG1 3.48Å; I165-T167 VanDerWaalsContact C-N 3.29Å; I165-T167 PolarHBondContact O-N 3.2Å; T167-W169 VanDerWaalsContact C-N 3.3Å; T167-W169 PolarHBondContact O-N 3.42Å; T167-C170 PolarHBondContact O-N 3.14Å; T167-R171 WeakPolarHBondContact O-CG 3.24Å; T167-R171 PolarHBondContact O-N 3.31Å; T167-R171 VanDerWaalsContact O-N 3.08Å
168P85Confident80.9Confident69 Ų6995.1 Ų95.145%0.44846%0.456SS..Hα-helixtrans-61.1-41175.422.8-33.1000111.6I165 C170 R171 E172I165-P168 WeakPolarHBondContact O-CD 3.5Å; I165-P168 WeakPolarHBondContact O-CG 3.37Å; P168-C170 PolarHBondContact O-N 3.41Å; P168-R171 PolarHBondContact O-N 3.4Å; P168-E172 PolarHBondContact O-N 2.89Å; P168-E172 VanDerWaalsContact O-N 3.13Å
169W85.1Confident80.7Confident138 Ų13894.1 Ų94.152%0.52346%0.456SS..Hα-helixtrans-58.8-47.1175.7-177.186.4000112.1M166 T167 R171 E172 Q173M166-W169 HydrophobicContact CE-CD2 4.12Å; M166-W169 HydrophobicContact CE-CE3 3.53Å; M166-W169 HydrophobicContact CE-CZ3 3.76Å; M166-W169 PolarHBondContact O-N 2.96Å; T167-W169 VanDerWaalsContact C-N 3.3Å; T167-W169 PolarHBondContact O-N 3.42Å; W169-R171 VanDerWaalsContact C-N 3.35Å; W169-R171 PolarHBondContact O-N 3.32Å; W169-E172 PolarHBondContact O-N 3.37Å; W169-Q173 HydrophobicContact CD2-CB 4.43Å; W169-Q173 HydrophobicContact CZ2-CB 4.45Å; W169-Q173 VanDerWaalsContact O-CB 3.31Å; W169-Q173 WeakPolarHBondContact O-CB 3.35Å; W169-Q173 PolarHBondContact O-N 3.11Å
170C83.7Confident80.5Confident14 Ų1493.5 Ų93.510%0.09545%0.449CS..Hα-helixtrans-61.2-42.1177.9-176.90000112C115 M166 T167 P168 E172 I174C115-C170 VanDerWaalsContact CA-SG 3.52Å; C115-C170 HydrophobicContact CB-CB 3.68Å; C115-C170 WeakPolarHBondContact CB-SG 3.36Å; C115-C170 WeakPolarHBondContact SG-CB 3.46Å; C115-C170 PolarHBondContact SG-O 2.88Å; C115-C170 CovalentContact SG-SG 2.04Å; C115-C170 PolarHBondContact SG-SG 3.31Å; M166-C170 WeakPolarHBondContact O-CB 3.42Å; M166-C170 PolarHBondContact O-N 3.4Å; T167-C170 PolarHBondContact O-N 3.14Å; P168-C170 PolarHBondContact O-N 3.41Å; C170-E172 VanDerWaalsContact C-N 3.3Å; C170-E172 PolarHBondContact O-N 3.09Å; C170-I174 HydrophobicContact CB-CD1 4.43Å; C170-I174 WeakPolarHBondContact O-CG1 3.47Å; C170-I174 PolarHBondContact O-N 2.63Å; C170-I174 VanDerWaalsContact SG-CD1 3.5Å
171R82.2Confident80.1Confident101 Ų10193.3 Ų93.338%0.38145%0.448SS..Hα-helixtrans-68.1-27-179-71.8-178-174.3-174.95.6113.4R112 C115 D116 T167 P168 W169R112-R171 HydrophobicContact CG-CB 3.88Å; R112-R171 HydrophobicContact CG-CG 3.73Å; C115-R171 HydrophobicContact CB-CG 3.99Å; D116-R171 IonicContact OD1-CZ 2.94Å; D116-R171 VanDerWaalsContact OD1-CZ 3.23Å; D116-R171 IonicContact OD1-NE 3.95Å; D116-R171 PolarHBondContact OD1-NE 3.45Å; D116-R171 IonicContact OD1-NH2 3.43Å; D116-R171 PolarHBondContact OD1-NH2 3.11Å; D116-R171 IonicContact OD2-CZ 2.73Å; D116-R171 IonicContact OD2-NE 2.98Å; D116-R171 IonicContact OD2-NH2 3.68Å; D116-R171 PolarHBondContact OD2-NH2 3.43Å; T167-R171 WeakPolarHBondContact O-CG 3.24Å; T167-R171 PolarHBondContact O-N 3.31Å; T167-R171 VanDerWaalsContact O-N 3.08Å; P168-R171 PolarHBondContact O-N 3.4Å; W169-R171 VanDerWaalsContact C-N 3.35Å; W169-R171 PolarHBondContact O-N 3.32Å
172E78.6Confident79.9Confident136 Ų13693.3 Ų93.364%0.63645%0.446SS*.Hα-helixtrans-97.3-36.1-177.9-70.6176.8-174.500112.7P168 W169 C170P168-E172 PolarHBondContact O-N 2.89Å; P168-E172 VanDerWaalsContact O-N 3.13Å; W169-E172 PolarHBondContact O-N 3.37Å; C170-E172 VanDerWaalsContact C-N 3.3Å; C170-E172 PolarHBondContact O-N 3.09Å
173Q75.3Confident79.8Confident117 Ų11793.4 Ų93.455%0.54744%0.443SS..Hα-helixtrans-100.3-2.3-169.5-110.662.4-1.300115.1W169 P175W169-Q173 HydrophobicContact CD2-CB 4.43Å; W169-Q173 HydrophobicContact CZ2-CB 4.45Å; W169-Q173 VanDerWaalsContact O-CB 3.31Å; W169-Q173 WeakPolarHBondContact O-CB 3.35Å; W169-Q173 PolarHBondContact O-N 3.11Å; Q173-P175 WeakPolarHBondContact O-CD 3.48Å
174I72.7Confident79.8Confident84 Ų8491.4 Ų91.443%0.43143%0.431SS..  trans-109.669171.2-48.1-178.3000110.1T111 C170T111-I174 HydrophobicContact CG2-CG2 4.38Å; C170-I174 HydrophobicContact CB-CD1 4.43Å; C170-I174 WeakPolarHBondContact O-CG1 3.47Å; C170-I174 PolarHBondContact O-N 2.63Å; C170-I174 VanDerWaalsContact SG-CD1 3.5Å
175P68.8Low79.7Confident104 Ų10486.9 Ų86.968%0.67542%0.418SS*.  trans-74.2142.8176.231.7-34.7000111Q173Q173-P175 WeakPolarHBondContact O-CD 3.48Å
176V73.9Confident79.6Confident31 Ų3188.4 Ų88.419%0.18842%0.416CS..  trans-71.7133.1163179.80000108.1F107 T111 R178 F180F107-V176 HydrophobicContact CB-CG1 4.22Å; F107-V176 HydrophobicContact CB-CG2 4.37Å; T111-V176 HydrophobicContact CG2-CG2 4.44Å; V176-R178 PolarHBondContact O-N 3.15Å; V176-F180 HydrophobicContact CG1-CB 4.04Å; V176-F180 HydrophobicContact CG1-CD1 4.27Å; V176-F180 HydrophobicContact CG1-CG 4.43Å
177E78.6Confident79.7Confident150 Ų15086.7 Ų86.770%0.70141%0.408SS*.  trans-45.2130.5175.7-169.170.7-134.800110.5Q104 N179 F180Q104-E177 PolarHBondContact NE2-O 3.45Å; Q104-E177 PolarHBondContact OE1-O 3.31Å; E177-N179 PolarHBondContact O-N 3.16Å; E177-F180 HydrophobicContact CB-CB 4.31Å; E177-F180 PolarHBondContact O-N 3.18Å; E177-F180 VanDerWaalsContact O-N 3.12Å
178R69.6Low79.6Confident208 Ų20888.5 Ų88.579%0.78542%0.417SS*.THydrogen-bonded Turntrans-58.8-21.3-166.5-67-174.9-166.6178.75114.6V176V176-R178 PolarHBondContact O-N 3.15Å
179N79.8Confident79.7Confident102 Ų10288.4 Ų88.455%0.54541%0.414SS..THydrogen-bonded Turntrans-109.60.1-174.4-66.3-21.4000114.3E177 L183E177-N179 PolarHBondContact O-N 3.16Å; N179-L183 WeakPolarHBondContact O-CB 3.3Å; N179-L183 PolarHBondContact O-N 3.3Å; N179-L183 VanDerWaalsContact O-N 3.08Å
180F78.9Confident79.9Confident75 Ų7584.7 Ų84.733%0.32941%0.41SS..Hα-helixtrans-61.6-55.5-171.3-177.1-102.2000112.5F107 V176 E177 Y184F107-F180 HydrophobicContact CD1-CE1 4.36Å; F107-F180 HydrophobicContact CD2-CD1 4.05Å; F107-F180 HydrophobicContact CD2-CE1 4.03Å; F107-F180 HydrophobicContact CE1-CE1 4.24Å; F107-F180 HydrophobicContact CE2-CD1 4.34Å; F107-F180 AromaticContact CE2-CE1 3.92Å; F107-F180 HydrophobicContact CE2-CE1 3.92Å; F107-F180 HydrophobicContact CG-CD1 4.32Å; F107-F180 HydrophobicContact CG-CE1 4.28Å; F107-F180 HydrophobicContact CZ-CE1 4.05Å; V176-F180 HydrophobicContact CG1-CB 4.04Å; V176-F180 HydrophobicContact CG1-CD1 4.27Å; V176-F180 HydrophobicContact CG1-CG 4.43Å; E177-F180 HydrophobicContact CB-CB 4.31Å; E177-F180 PolarHBondContact O-N 3.18Å; E177-F180 VanDerWaalsContact O-N 3.12Å; F180-Y184 HydrophobicContact CD1-CE2 4.48Å; F180-Y184 AromaticContact CE1-CE2 3.99Å; F180-Y184 HydrophobicContact CE1-CE2 3.99Å; F180-Y184 HydrophobicContact CE2-CE2 4.22Å; F180-Y184 AromaticContact CZ-CE2 3.85Å; F180-Y184 HydrophobicContact CZ-CE2 3.85Å; F180-Y184 WeakPolarHBondContact O-CD2 3.31Å
181G78.2Confident80Confident0 Ų085.8 Ų85.80%041%0.414CS..Hα-helixtrans-73.8-32.7178.900000113.5L183 Y184 D185G181-L183 PolarHBondContact O-N 3.38Å; G181-Y184 PolarHBondContact O-N 3.13Å; G181-D185 PolarHBondContact O-N 2.87Å; G181-D185 VanDerWaalsContact O-N 3.15Å
182Q81Confident80.1Confident74 Ų7484.6 Ų84.635%0.34642%0.415SS..Hα-helixtrans-63.1-31.2176.7-63.9-170.98.200112.4Q104 D185 R186Q104-Q182 HydrophobicContact CB-CG 4.32Å; Q182-D185 PolarHBondContact O-N 2.98Å; Q182-R186 WeakPolarHBondContact O-CB 3.05Å; Q182-R186 VanDerWaalsContact O-CG 3.27Å; Q182-R186 WeakPolarHBondContact O-CG 3.43Å; Q182-R186 PolarHBondContact O-N 3.48Å; Q182-R186 VanDerWaalsContact OE1-NH2 3.15Å
183L83.9Confident80.6Confident102 Ų10285.5 Ų85.553%0.53441%0.413SS..Hα-helixtrans-64.9-45.7176.3-179.562000111.6N179 G181 D185 R186 L187N179-L183 WeakPolarHBondContact O-CB 3.3Å; N179-L183 PolarHBondContact O-N 3.3Å; N179-L183 VanDerWaalsContact O-N 3.08Å; G181-L183 PolarHBondContact O-N 3.38Å; L183-D185 VanDerWaalsContact C-N 3.34Å; L183-D185 PolarHBondContact O-N 3.39Å; L183-R186 PolarHBondContact O-N 3.45Å; L183-L187 HydrophobicContact CD1-CD1 4.03Å; L183-L187 HydrophobicContact CD1-CG 4.17Å; L183-L187 HydrophobicContact CG-CD1 3.94Å; L183-L187 HydrophobicContact CG-CG 4.48Å; L183-L187 WeakPolarHBondContact O-CB 3.17Å; L183-L187 VanDerWaalsContact O-CG 3.28Å; L183-L187 WeakPolarHBondContact O-CG 3.02Å; L183-L187 PolarHBondContact O-N 3.24Å
184Y81.3Confident81.1Confident35 Ų3582.6 Ų82.614%0.13740%0.401CS..Hα-helixtrans-60.1-45.1175.3-75.8-78.4000111.7F74 R78 F180 G181 L187 N188F74-Y184 HydrophobicContact CD1-CD1 4.34Å; F74-Y184 HydrophobicContact CD1-CE1 4.01Å; R78-Y184 HydrophobicContact CB-CD1 4.27Å; R78-Y184 HydrophobicContact CB-CE1 3.98Å; F180-Y184 HydrophobicContact CD1-CE2 4.48Å; F180-Y184 AromaticContact CE1-CE2 3.99Å; F180-Y184 HydrophobicContact CE1-CE2 3.99Å; F180-Y184 HydrophobicContact CE2-CE2 4.22Å; F180-Y184 AromaticContact CZ-CE2 3.85Å; F180-Y184 HydrophobicContact CZ-CE2 3.85Å; F180-Y184 WeakPolarHBondContact O-CD2 3.31Å; G181-Y184 PolarHBondContact O-N 3.13Å; Y184-L187 PolarHBondContact O-N 3.12Å; Y184-N188 WeakPolarHBondContact O-CB 3.29Å; Y184-N188 PolarHBondContact O-N 3.24Å
185D82.1Confident81.8Confident55 Ų5578.7 Ų78.729%0.29438%0.381SS..Hα-helixtrans-63.3-44.6179.8-66.6-21.8000111.2T103 G181 Q182 L183 V189T103-D185 VanDerWaalsContact CB-OD1 3.31Å; T103-D185 WeakPolarHBondContact CB-OD1 3.23Å; T103-D185 PolarHBondContact N-OD2 3.19Å; T103-D185 PolarHBondContact OG1-OD1 3.41Å; T103-D185 PolarHBondContact OG1-OD2 2.99Å; G181-D185 PolarHBondContact O-N 2.87Å; G181-D185 VanDerWaalsContact O-N 3.15Å; Q182-D185 PolarHBondContact O-N 2.98Å; L183-D185 VanDerWaalsContact C-N 3.34Å; L183-D185 PolarHBondContact O-N 3.39Å; D185-V189 VanDerWaalsContact O-CG2 3.31Å; D185-V189 WeakPolarHBondContact O-CG2 3.49Å; D185-V189 PolarHBondContact O-N 3.14Å; D185-V189 VanDerWaalsContact O-N 3.13Å
186R85.4Confident82.6Confident159 Ų15979.7 Ų79.760%0.637%0.371SS*.Hα-helixtrans-66.5-40.6177.3-73.8178.7-166.5171.89.1112.6Q182 L183 S190Q182-R186 WeakPolarHBondContact O-CB 3.05Å; Q182-R186 VanDerWaalsContact O-CG 3.27Å; Q182-R186 WeakPolarHBondContact O-CG 3.43Å; Q182-R186 PolarHBondContact O-N 3.48Å; Q182-R186 VanDerWaalsContact OE1-NH2 3.15Å; L183-R186 PolarHBondContact O-N 3.45Å; R186-S190 VanDerWaalsContact O-CB 3.24Å; R186-S190 WeakPolarHBondContact O-CB 3.43Å; R186-S190 PolarHBondContact O-N 2.75Å; R186-S190 PolarHBondContact O-OG 3.39Å
187L84.5Confident83.1Confident45 Ų4584.3 Ų84.324%0.23639%0.39CS..Hα-helixtrans-65.3-46.4178.2-77.6171.4000111.1F74 L183 Y184 V189 S190 M191F74-L187 HydrophobicContact CD1-CD1 4.03Å; F74-L187 HydrophobicContact CE1-CD1 3.67Å; F74-L187 HydrophobicContact CE2-CD1 4.43Å; F74-L187 HydrophobicContact CZ-CD1 3.9Å; L183-L187 HydrophobicContact CD1-CD1 4.03Å; L183-L187 HydrophobicContact CD1-CG 4.17Å; L183-L187 HydrophobicContact CG-CD1 3.94Å; L183-L187 HydrophobicContact CG-CG 4.48Å; L183-L187 WeakPolarHBondContact O-CB 3.17Å; L183-L187 VanDerWaalsContact O-CG 3.28Å; L183-L187 WeakPolarHBondContact O-CG 3.02Å; L183-L187 PolarHBondContact O-N 3.24Å; Y184-L187 PolarHBondContact O-N 3.12Å; L187-V189 VanDerWaalsContact C-N 3.35Å; L187-V189 PolarHBondContact O-N 3.49Å; L187-S190 PolarHBondContact O-N 3.49Å; L187-S190 VanDerWaalsContact O-N 3.15Å; L187-M191 WeakPolarHBondContact O-CB 3.46Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.42Å; L187-M191 PolarHBondContact O-N 2.93Å
188N83.8Confident83.3Confident60 Ų6079 Ų7932%0.32137%0.365SS..Hα-helixtrans-60.4-45179.3-169.950.4000111.5S71 Y184 S190 D192S71-N188 PolarHBondContact OG-OD1 3.36Å; Y184-N188 WeakPolarHBondContact O-CB 3.29Å; Y184-N188 PolarHBondContact O-N 3.24Å; N188-S190 PolarHBondContact O-N 3.06Å; N188-D192 VanDerWaalsContact O-CB 3.3Å; N188-D192 WeakPolarHBondContact O-CB 3.37Å; N188-D192 PolarHBondContact O-N 3.47Å
189V86.4Confident83.9Confident66 Ų6675.7 Ų75.740%0.435%0.353SS..Hα-helixtrans-64.4-39.8175.5172.60000111.7D185 L187 R193D185-V189 VanDerWaalsContact O-CG2 3.31Å; D185-V189 WeakPolarHBondContact O-CG2 3.49Å; D185-V189 PolarHBondContact O-N 3.14Å; D185-V189 VanDerWaalsContact O-N 3.13Å; L187-V189 VanDerWaalsContact C-N 3.35Å; L187-V189 PolarHBondContact O-N 3.49Å; V189-R193 WeakPolarHBondContact O-CB 3.24Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.95Å
190S88.5Confident83.8Confident61 Ų6174.4 Ų74.443%0.42735%0.349SS..Hα-helixtrans-68.9-42.3-179.1-59.80000111.9R186 L187 N188 R193 L194R186-S190 VanDerWaalsContact O-CB 3.24Å; R186-S190 WeakPolarHBondContact O-CB 3.43Å; R186-S190 PolarHBondContact O-N 2.75Å; R186-S190 PolarHBondContact O-OG 3.39Å; L187-S190 PolarHBondContact O-N 3.49Å; L187-S190 VanDerWaalsContact O-N 3.15Å; N188-S190 PolarHBondContact O-N 3.06Å; S190-R193 PolarHBondContact O-N 3.36Å; S190-L194 VanDerWaalsContact O-CB 3.32Å; S190-L194 WeakPolarHBondContact O-CB 3.26Å; S190-L194 PolarHBondContact O-N 3.46Å
191M87.4Confident83.7Confident37 Ų3777.6 Ų77.618%0.18236%0.364CS..Hα-helixtrans-68.6-38.1177.3-66.2-60.2133.700111.9S67 I70 L187 L194 S195S67-M191 PolarHBondContact OG-O 3.08Å; I70-M191 HydrophobicContact CB-SD 4.41Å; I70-M191 HydrophobicContact CG2-CG 4.33Å; I70-M191 HydrophobicContact CG2-SD 4.01Å; L187-M191 WeakPolarHBondContact O-CB 3.46Å; L187-M191 VanDerWaalsContact O-CG 3.31Å; L187-M191 WeakPolarHBondContact O-CG 3.42Å; L187-M191 PolarHBondContact O-N 2.93Å; M191-L194 PolarHBondContact O-N 3.27Å; M191-S195 WeakPolarHBondContact O-CB 3.32Å; M191-S195 PolarHBondContact O-N 2.94Å
192D84.4Confident83.6Confident75 Ų7581.1 Ų81.140%0.40139%0.386SS..Hα-helixtrans-67-39.8175-179.868000112.2N188 R196N188-D192 VanDerWaalsContact O-CB 3.3Å; N188-D192 WeakPolarHBondContact O-CB 3.37Å; N188-D192 PolarHBondContact O-N 3.47Å; D192-R196 WeakPolarHBondContact O-CG 3.35Å; D192-R196 PolarHBondContact O-N 3.08Å; D192-R196 VanDerWaalsContact O-N 3.14Å; D192-R196 PolarHBondContact O-NE 2.83Å; D192-R196 IonicContact OD2-CZ 3.77Å; D192-R196 IonicContact OD2-NE 2.66Å; D192-R196 PolarHBondContact OD2-NE 3.32Å; D192-R196 IonicContact OD2-NH2 3.5Å; D192-R196 PolarHBondContact OD2-NH2 3.43Å
193R87.9Confident83.2Confident156 Ų15685.6 Ų85.659%0.58941%0.409SS*.Hα-helixtrans-62.9-48.1171.8-76.2178.1-174.9179.71.6111.4V189 S190 S195 R196 E197V189-R193 WeakPolarHBondContact O-CB 3.24Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.46Å; V189-R193 PolarHBondContact O-N 2.95Å; S190-R193 PolarHBondContact O-N 3.36Å; R193-S195 VanDerWaalsContact C-N 3.34Å; R193-S195 PolarHBondContact O-N 3.13Å; R193-R196 WeakPolarHBondContact O-CB 3.32Å; R193-R196 PolarHBondContact O-N 3.31Å; R193-R196 VanDerWaalsContact O-N 3.12Å; R193-E197 PolarHBondContact O-N 2.86Å; R193-E197 VanDerWaalsContact O-N 3.08Å
194L86.5Confident82.6Confident56 Ų5685.2 Ų85.229%0.29341%0.411SS..Hα-helixtrans-60.5-43.5-179.3-17562.9000112S190 M191 R196 E197 F198 M379S190-L194 VanDerWaalsContact O-CB 3.32Å; S190-L194 WeakPolarHBondContact O-CB 3.26Å; S190-L194 PolarHBondContact O-N 3.46Å; M191-L194 PolarHBondContact O-N 3.27Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3Å; L194-E197 PolarHBondContact O-N 3.47Å; L194-F198 HydrophobicContact CD1-CD2 4.17Å; L194-F198 HydrophobicContact CD1-CE2 3.4Å; L194-F198 HydrophobicContact CD1-CZ 3.91Å; L194-F198 HydrophobicContact CD2-CE2 4.23Å; L194-F198 HydrophobicContact CG-CD2 4.08Å; L194-F198 HydrophobicContact CG-CE2 3.55Å; L194-F198 WeakPolarHBondContact O-CD2 3.31Å; L194-F198 PolarHBondContact O-N 3.33Å; L194-M379 HydrophobicContact CD2-CE 3.73Å; L194-M379 HydrophobicContact CD2-SD 4.41Å
195S86.1Confident82Confident2 Ų291.9 Ų91.91%0.01444%0.443CS..Hα-helixtrans-59.5-40.8174.6174.30000111.8M191 R193 F198 R199M191-S195 WeakPolarHBondContact O-CB 3.32Å; M191-S195 PolarHBondContact O-N 2.94Å; R193-S195 VanDerWaalsContact C-N 3.34Å; R193-S195 PolarHBondContact O-N 3.13Å; S195-F198 PolarHBondContact O-N 3.5Å; S195-R199 PolarHBondContact O-N 2.89Å
196R86.4Confident81.2Confident124 Ų12494.7 Ų94.747%0.46846%0.455SS..Hα-helixtrans-65.4-39.1177.6-79-174.7-85.9148.3-5.2113.3D192 R193 L194 F198 R199D192-R196 WeakPolarHBondContact O-CG 3.35Å; D192-R196 PolarHBondContact O-N 3.08Å; D192-R196 VanDerWaalsContact O-N 3.14Å; D192-R196 PolarHBondContact O-NE 2.83Å; D192-R196 IonicContact OD2-CZ 3.77Å; D192-R196 IonicContact OD2-NE 2.66Å; D192-R196 PolarHBondContact OD2-NE 3.32Å; D192-R196 IonicContact OD2-NH2 3.5Å; D192-R196 PolarHBondContact OD2-NH2 3.43Å; R193-R196 WeakPolarHBondContact O-CB 3.32Å; R193-R196 PolarHBondContact O-N 3.31Å; R193-R196 VanDerWaalsContact O-N 3.12Å; L194-R196 VanDerWaalsContact C-N 3.31Å; L194-R196 PolarHBondContact O-N 3Å; R196-F198 VanDerWaalsContact C-N 3.35Å; R196-F198 PolarHBondContact O-N 3.27Å; R196-R199 WeakPolarHBondContact O-CB 3.47Å; R196-R199 PolarHBondContact O-N 2.55Å
197E84.9Confident80Confident128 Ų12894.8 Ų94.860%0.59846%0.462SS*.Hα-helixtrans-63.1-41.1177.7-64.9-60.4161.400111.7R193 L194 R199 T200R193-E197 PolarHBondContact O-N 2.86Å; R193-E197 VanDerWaalsContact O-N 3.08Å; L194-E197 PolarHBondContact O-N 3.47Å; E197-R199 PolarHBondContact O-N 2.9Å; E197-T200 PolarHBondContact O-N 2.8Å; E197-T200 PolarHBondContact O-OG1 2.89Å
198F83.4Confident78.7Confident38 Ų3897.7 Ų97.717%0.16747%0.474CS..Hα-helixtrans-70.8-13.2178.2-67.9-56.6000114.8F63 L194 S195 R196 T200 M379 L383F63-F198 HydrophobicContact CB-CD1 4.16Å; F63-F198 HydrophobicContact CB-CD2 3.85Å; F63-F198 HydrophobicContact CB-CE1 4.21Å; F63-F198 HydrophobicContact CB-CE2 3.88Å; F63-F198 HydrophobicContact CB-CG 4.01Å; F63-F198 HydrophobicContact CB-CZ 4.09Å; F63-F198 HydrophobicContact CD2-CE1 4.35Å; F63-F198 HydrophobicContact CG-CE1 4.44Å; F63-F198 HydrophobicContact CG-CZ 4.37Å; L194-F198 HydrophobicContact CD1-CD2 4.17Å; L194-F198 HydrophobicContact CD1-CE2 3.4Å; L194-F198 HydrophobicContact CD1-CZ 3.91Å; L194-F198 HydrophobicContact CD2-CE2 4.23Å; L194-F198 HydrophobicContact CG-CD2 4.08Å; L194-F198 HydrophobicContact CG-CE2 3.55Å; L194-F198 WeakPolarHBondContact O-CD2 3.31Å; L194-F198 PolarHBondContact O-N 3.33Å; S195-F198 PolarHBondContact O-N 3.5Å; R196-F198 VanDerWaalsContact C-N 3.35Å; R196-F198 PolarHBondContact O-N 3.27Å; F198-T200 VanDerWaalsContact C-N 3.34Å; F198-M379 HydrophobicContact CE2-CE 4.18Å; F198-L383 HydrophobicContact CE1-CD2 4.01Å; F198-L383 HydrophobicContact CZ-CD1 4.23Å; F198-L383 HydrophobicContact CZ-CD2 3.59Å
199R80.6Confident77Confident139 Ų139102 Ų10253%0.52549%0.492SS..THydrogen-bonded Turntrans-75.4-23.5173.5-73.8177.4175.2171.34.4113.4E64 S195 R196 E197E64-R199 IonicContact OE1-CZ 3.85Å; E64-R199 VanDerWaalsContact OE1-CZ 3.3Å; E64-R199 IonicContact OE1-NE 2.65Å; E64-R199 PolarHBondContact OE1-NE 2.89Å; E64-R199 IonicContact OE1-NH2 2.79Å; E64-R199 PolarHBondContact OE1-NH2 3.41Å; S195-R199 PolarHBondContact O-N 2.89Å; R196-R199 WeakPolarHBondContact O-CB 3.47Å; R196-R199 PolarHBondContact O-N 2.55Å; E197-R199 PolarHBondContact O-N 2.9Å
200T79.1Confident75.1Confident75 Ų75104.8 Ų104.846%0.4650%0.501SS..SBendtrans-71.5132.7-174.663.40000110.9M57 E197 F198M57-T200 WeakPolarHBondContact CE-O 3.42Å; E197-T200 PolarHBondContact O-N 2.8Å; E197-T200 PolarHBondContact O-OG1 2.89Å; F198-T200 VanDerWaalsContact C-N 3.34Å
201E76.3Confident72.9Confident142 Ų142105.2 Ų105.266%0.66450%0.504SS*.  trans-88.5119.5174.2-63.8-162.715200109.8K60K60-E201 IonicContact NZ-OE1 3.01Å; K60-E201 PolarHBondContact NZ-OE1 3.4Å
202V76.8Confident70.8Confident75 Ų75109.2 Ų109.246%0.45553%0.53SS..  trans-99114.41741800000108.4M57 V204M57-V202 HydrophobicContact CE-CB 3.46Å; M57-V202 VanDerWaalsContact CE-CB 3.46Å; M57-V202 HydrophobicContact CE-CG2 3.47Å; M57-V202 VanDerWaalsContact CE-CG2 3.47Å; M57-V202 VanDerWaalsContact CE-N 3.33Å; M57-V202 HydrophobicContact SD-CB 4.09Å; M57-V202 PolarHBondContact SD-N 2.79Å; V202-V204 HydrophobicContact CG1-CG2 4.13Å
203M72.1Confident68.8Low168 Ų168112.9 Ų112.983%0.82855%0.549SS*.  trans-98.9116.7171.8-66.8-67.9-75.100108.6
204V71.3Confident66.7Low94 Ų94113.1 Ų113.157%0.5756%0.562SS**  trans-98.4114.4173.1-173.80000108.5L50 A53 V202L50-V204 HydrophobicContact CD2-CB 4.23Å; L50-V204 HydrophobicContact CD2-CG1 3.47Å; L50-V204 VanDerWaalsContact CD2-CG1 3.47Å; A53-V204 HydrophobicContact CB-CG2 4.41Å; V202-V204 HydrophobicContact CG1-CG2 4.13Å
205Q68.5Low64.8Low175 Ų175113.6 Ų113.682%0.81858%0.58SS**  trans-116.9135.1175.9-167166.112.800109.5E207Q205-E207 PolarHBondContact O-N 3.42Å; Q205-E207 VanDerWaalsContact O-N 3.1Å
206E64.9Low62.9Low114 Ų114116.2 Ų116.253%0.53360%0.596SS.*  trans-75.295.6172.3-166.2176.2172.100107.4R43 Q208R43-E206 IonicContact CZ-OE1 3.67Å; R43-E206 IonicContact NE-OE1 2.74Å; R43-E206 PolarHBondContact NE-OE1 2.94Å; R43-E206 VanDerWaalsContact NE-OE1 3.16Å; R43-E206 IonicContact NE-OE2 3.18Å; R43-E206 IonicContact NH2-OE1 3.6Å; R43-E206 PolarHBondContact NH2-OE1 3.06Å; R43-E206 IonicContact NH2-OE2 3.79Å; E206-Q208 PolarHBondContact O-N 3.22Å
207E61.1Low61.2Low160 Ų160113 Ų11375%0.74859%0.591SS**  trans-82.9105.1175.1-165.8175.6178.600109Q205 Q209Q205-E207 PolarHBondContact O-N 3.42Å; Q205-E207 VanDerWaalsContact O-N 3.1Å; E207-Q209 VanDerWaalsContact C-N 3.29Å; E207-Q209 PolarHBondContact O-N 3.44Å
208Q56Low59.6Low106 Ų106109.4 Ų109.450%0.49558%0.576SS.*  trans-8083.3178.9-153.6172.5-20.800108.5E206 Q210E206-Q208 PolarHBondContact O-N 3.22Å; Q208-Q210 PolarHBondContact O-N 3.29Å; Q208-Q210 VanDerWaalsContact O-N 3.09Å
209Q49.1Very low57.9Low151 Ų151112.8 Ų112.871%0.70660%0.595SS**  trans-65.6115-175.8-149.9153.24.900109.7E207 S211E207-Q209 VanDerWaalsContact C-N 3.29Å; E207-Q209 PolarHBondContact O-N 3.44Å; Q209-S211 VanDerWaalsContact C-N 3.27Å; Q209-S211 PolarHBondContact O-N 3.37Å
210Q45.8Very low56.6Low124 Ų124112 Ų11258%0.57959%0.592SS**  trans-65.787.6171.9-74.5176.1-15.800108.2Q208 V212Q208-Q210 PolarHBondContact O-N 3.29Å; Q208-Q210 VanDerWaalsContact O-N 3.09Å; Q210-V212 PolarHBondContact O-N 2.71Å
211S43.2Very low56Low71 Ų71111.7 Ų111.750%0.49759%0.591SS.*  trans-69108.4172.659.70000108.7Q209 L213Q209-S211 VanDerWaalsContact C-N 3.27Å; Q209-S211 PolarHBondContact O-N 3.37Å; S211-L213 VanDerWaalsContact C-N 3.27Å; S211-L213 PolarHBondContact O-N 3.03Å
212V43.4Very low56Low121 Ų121108.9 Ų108.973%0.73358%0.576SS**  trans-65.685.7170.7-178.90000108.3Q210Q210-V212 PolarHBondContact O-N 2.71Å
213L41Very low56.3Low152 Ų152106.4 Ų106.480%0.79656%0.562SS**SBendtrans-98.499.2153.7-135.577.6000106.1S211S211-L213 VanDerWaalsContact C-N 3.27Å; S211-L213 PolarHBondContact O-N 3.03Å
214D44.3Very low56.9Low161 Ų161103.4 Ų103.486%0.86155%0.545SS*.THydrogen-bonded Turntrans71.829.4168.2-139.424.2000117.7V216D214-V216 PolarHBondContact O-N 3.25Å
215G46.7Very low57.4Low65 Ų6599.8 Ų99.867%0.6753%0.526SS*.THydrogen-bonded Turntrans73.49.9169.600000115.4
216V47.1Very low58.2Low57 Ų5793.4 Ų93.435%0.34550%0.499SS..  trans-95119.7170.4-176.60000108.4D214 L218 A225D214-V216 PolarHBondContact O-N 3.25Å; V216-L218 PolarHBondContact O-N 3.01Å; V216-A225 HydrophobicContact CG1-CB 3.87Å
217P50.1Low59.3Low56 Ų5694 Ų9436%0.36450%0.496SS..  trans-62.3128.1176.223.8-30.9000109.6D219 R220P217-D219 PolarHBondContact O-N 3.24Å; P217-R220 HydrophobicContact CG-CG 4.06Å; P217-R220 PolarHBondContact O-N 3.37Å
218L50.8Low60.6Low53 Ų5390.5 Ų90.528%0.27748%0.479SS..THydrogen-bonded Turntrans-62.1-6.8176.8-16073.3000113.4V216 F222V216-L218 PolarHBondContact O-N 3.01Å; L218-F222 HydrophobicContact CD1-CE2 3.89Å; L218-F222 HydrophobicContact CD1-CZ 3.88Å
219D47.5Very low62.2Low109 Ų10988.1 Ų88.158%0.58347%0.474SS*.THydrogen-bonded Turntrans-76.9-21.6169-80.8-31.1000113.1P217P217-D219 PolarHBondContact O-N 3.24Å
220R52.7Low64.1Low122 Ų12283 Ų8346%0.4645%0.45SS..SBendtrans-88.7121.4171.5-68.8-169.9-174.8-160.11.9109P217 F222 E228P217-R220 HydrophobicContact CG-CG 4.06Å; P217-R220 PolarHBondContact O-N 3.37Å; R220-F222 PolarHBondContact O-N 3.22Å; R220-E228 IonicContact NH1-OE1 3.39Å; R220-E228 IonicContact NH1-OE2 2.93Å
221V68.1Low66.1Low70 Ų7081.4 Ų81.442%0.42444%0.442SS..  trans-47.6123.3170.5179.30000107.7D32 T223 E224D32-V221 HydrophobicContact CB-CG1 4.25Å; D32-V221 VanDerWaalsContact CG-CG1 3.43Å; D32-V221 WeakPolarHBondContact OD2-CG1 3.5Å; V221-T223 PolarHBondContact O-N 3.39Å; V221-E224 HydrophobicContact CB-CG 4.36Å; V221-E224 PolarHBondContact O-N 3.19Å
222F76.5Confident68.3Low82 Ų8284.7 Ų84.736%0.3644%0.444SS..Hα-helixtrans-51.9-33.4-173.8-79.9-87.9000111.3D32 L218 R220 E224 A225 V226D32-F222 WeakPolarHBondContact OD1-CD2 3.35Å; D32-F222 PolarHBondContact OD1-N 2.8Å; D32-F222 PolarHBondContact OD2-N 2.91Å; L218-F222 HydrophobicContact CD1-CE2 3.89Å; L218-F222 HydrophobicContact CD1-CZ 3.88Å; R220-F222 PolarHBondContact O-N 3.22Å; F222-E224 VanDerWaalsContact C-N 3.31Å; F222-E224 PolarHBondContact O-N 3.44Å; F222-A225 PolarHBondContact O-N 2.8Å; F222-V226 WeakPolarHBondContact O-CG2 3.3Å; F222-V226 PolarHBondContact O-N 2.96Å; F222-V226 VanDerWaalsContact O-N 3.14Å
223T82.1Confident70.5Confident24 Ų2482.7 Ų82.715%0.14743%0.429CS..Hα-helixtrans-52.4-42.1174-53.30000113.8L25 S28 C29 D32 V221 R227L25-T223 HydrophobicContact CD2-CG2 3.84Å; L25-T223 WeakPolarHBondContact CD2-O 3.33Å; S28-T223 WeakPolarHBondContact OG-CA 3.3Å; S28-T223 PolarHBondContact OG-OG1 3.5Å; C29-T223 WeakPolarHBondContact CA-OG1 3.38Å; C29-T223 PolarHBondContact N-OG1 3.05Å; D32-T223 PolarHBondContact OD2-N 3.39Å; D32-T223 VanDerWaalsContact OD2-N 3.15Å; D32-T223 PolarHBondContact OD2-OG1 3.25Å; V221-T223 PolarHBondContact O-N 3.39Å; T223-R227 VanDerWaalsContact O-CB 3.32Å; T223-R227 WeakPolarHBondContact O-CB 3.48Å; T223-R227 PolarHBondContact O-N 2.93Å
224E83.9Confident72.7Confident104 Ų10477.8 Ų77.849%0.48641%0.405SS..Hα-helixtrans-70.7-43.8-178.2-68.1-177.7171.800112.2V221 F222 V226 R227 E228V221-E224 HydrophobicContact CB-CG 4.36Å; V221-E224 PolarHBondContact O-N 3.19Å; F222-E224 VanDerWaalsContact C-N 3.31Å; F222-E224 PolarHBondContact O-N 3.44Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.43Å; E224-R227 WeakPolarHBondContact O-CB 3.48Å; E224-R227 PolarHBondContact O-N 2.87Å; E224-E228 WeakPolarHBondContact O-CG 3.45Å; E224-E228 PolarHBondContact O-N 2.9Å
225A82.7Confident74.8Confident19 Ų1977 Ų7716%0.15739%0.394CS..Hα-helixtrans-63.6-40.7179.300000112V216 F222 S229V216-A225 HydrophobicContact CG1-CB 3.87Å; F222-A225 PolarHBondContact O-N 2.8Å; A225-S229 PolarHBondContact O-N 2.6Å; A225-S229 PolarHBondContact O-OG 3.45Å
226V86.3Confident76.8Confident41 Ų4182.3 Ų82.325%0.24839%0.394CS..Hα-helixtrans-63.1-47.6173.8172.70000110A24 L25 F222 E224 E228 S229 F230A24-V226 HydrophobicContact CB-CG1 3.73Å; L25-V226 HydrophobicContact CD2-CG1 4.29Å; F222-V226 WeakPolarHBondContact O-CG2 3.3Å; F222-V226 PolarHBondContact O-N 2.96Å; F222-V226 VanDerWaalsContact O-N 3.14Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.43Å; V226-E228 PolarHBondContact O-N 3.37Å; V226-S229 WeakPolarHBondContact O-CB 3.43Å; V226-S229 PolarHBondContact O-N 3.36Å; V226-S229 VanDerWaalsContact O-N 3.1Å; V226-F230 HydrophobicContact CG1-CD2 3.77Å; V226-F230 HydrophobicContact CG1-CE2 3.76Å; V226-F230 WeakPolarHBondContact O-CD2 3.46Å; V226-F230 PolarHBondContact O-N 3.39Å
227R87.4Confident78.7Confident125 Ų12583.9 Ų83.947%0.47240%0.399SS..Hα-helixtrans-56.8-48.3178.6-170.5172.4-130.9150.83.5112.6L25 T223 E224 S229 F230 Q231L25-R227 HydrophobicContact CD2-CB 3.87Å; L25-R227 HydrophobicContact CD2-CG 4.48Å; T223-R227 VanDerWaalsContact O-CB 3.32Å; T223-R227 WeakPolarHBondContact O-CB 3.48Å; T223-R227 PolarHBondContact O-N 2.93Å; E224-R227 WeakPolarHBondContact O-CB 3.48Å; E224-R227 PolarHBondContact O-N 2.87Å; R227-S229 PolarHBondContact O-N 3.33Å; R227-F230 PolarHBondContact O-N 2.99Å; R227-Q231 HydrophobicContact CG-CG 4.48Å; R227-Q231 WeakPolarHBondContact O-CB 3.45Å; R227-Q231 VanDerWaalsContact O-CG 3.31Å; R227-Q231 WeakPolarHBondContact O-CG 3.21Å; R227-Q231 PolarHBondContact O-N 3.27Å
228E88.8Confident80.5Confident87 Ų8784.5 Ų84.541%0.40740%0.399SS..Hα-helixtrans-60.7-34.2178.2-75.2-176176.500112.3R220 E224 V226 R232R220-E228 IonicContact NH1-OE1 3.39Å; R220-E228 IonicContact NH1-OE2 2.93Å; E224-E228 WeakPolarHBondContact O-CG 3.45Å; E224-E228 PolarHBondContact O-N 2.9Å; V226-E228 PolarHBondContact O-N 3.37Å; E228-R232 WeakPolarHBondContact O-CB 3.41Å; E228-R232 VanDerWaalsContact O-CG 3.28Å; E228-R232 WeakPolarHBondContact O-CG 3.37Å; E228-R232 PolarHBondContact O-N 3.09Å; E228-R232 VanDerWaalsContact O-N 3.15Å; E228-R232 PolarHBondContact O-NE 2.95Å; E228-R232 VanDerWaalsContact O-NE 3.15Å
229S88.5Confident82.3Confident56 Ų5687.9 Ų87.939%0.39241%0.413SS..Hα-helixtrans-70.9-44.9179.7-59.10000111.8A225 V226 R227 R232 L233A225-S229 PolarHBondContact O-N 2.6Å; A225-S229 PolarHBondContact O-OG 3.45Å; V226-S229 WeakPolarHBondContact O-CB 3.43Å; V226-S229 PolarHBondContact O-N 3.36Å; V226-S229 VanDerWaalsContact O-N 3.1Å; R227-S229 PolarHBondContact O-N 3.33Å; S229-R232 PolarHBondContact O-N 2.77Å; S229-R232 PolarHBondContact OG-NH2 3.11Å; S229-L233 PolarHBondContact O-N 3.37Å; S229-L233 VanDerWaalsContact O-N 3.15Å
230F88.3Confident84.2Confident45 Ų4584.6 Ų84.620%0.19741%0.406CS..Hα-helixtrans-64.5-45.4174.4-83.5-82.1000111.9A20 E21 A24 V226 R227 R232 L233 T234A20-F230 HydrophobicContact CB-CE1 4.33Å; E21-F230 HydrophobicContact CB-CB 4.39Å; E21-F230 HydrophobicContact CB-CD1 3.89Å; E21-F230 HydrophobicContact CB-CE1 4.32Å; E21-F230 HydrophobicContact CB-CG 4.04Å; E21-F230 HydrophobicContact CG-CB 3.91Å; E21-F230 HydrophobicContact CG-CD1 4.33Å; E21-F230 HydrophobicContact CG-CD2 4.41Å; E21-F230 HydrophobicContact CG-CG 3.97Å; A24-F230 HydrophobicContact CB-CD2 4.42Å; A24-F230 HydrophobicContact CB-CE2 3.47Å; A24-F230 VanDerWaalsContact CB-CE2 3.47Å; A24-F230 HydrophobicContact CB-CZ 3.87Å; V226-F230 HydrophobicContact CG1-CD2 3.77Å; V226-F230 HydrophobicContact CG1-CE2 3.76Å; V226-F230 WeakPolarHBondContact O-CD2 3.46Å; V226-F230 PolarHBondContact O-N 3.39Å; R227-F230 PolarHBondContact O-N 2.99Å; F230-R232 VanDerWaalsContact C-N 3.25Å; F230-R232 PolarHBondContact O-N 3.11Å; F230-L233 WeakPolarHBondContact O-CA 3.39Å; F230-L233 WeakPolarHBondContact O-CB 3.08Å; F230-L233 PolarHBondContact O-N 3.41Å; F230-T234 PolarHBondContact O-N 2.91Å; F230-T234 PolarHBondContact O-OG1 2.94Å; F230-T234 VanDerWaalsContact O-OG1 3.06Å
231Q89.8Confident85.8Confident89 Ų8979.2 Ų79.242%0.41639%0.386SS..Hα-helixtrans-58-37177-73.9179.9000113R227 K235R227-Q231 HydrophobicContact CG-CG 4.48Å; R227-Q231 WeakPolarHBondContact O-CB 3.45Å; R227-Q231 VanDerWaalsContact O-CG 3.31Å; R227-Q231 WeakPolarHBondContact O-CG 3.21Å; R227-Q231 PolarHBondContact O-N 3.27Å; Q231-K235 WeakPolarHBondContact O-CB 3.28Å; Q231-K235 VanDerWaalsContact O-CG 3.3Å; Q231-K235 WeakPolarHBondContact O-CG 3.34Å; Q231-K235 PolarHBondContact O-N 3.29Å; Q231-K235 VanDerWaalsContact O-N 3.14Å
232R89.4Confident86.7Confident141 Ų14181.8 Ų81.853%0.53239%0.391SS..Hα-helixtrans-66.7-41.1174.5-77.7-179-71.9167.6-1.2111.8E228 S229 F230 R236E228-R232 WeakPolarHBondContact O-CB 3.41Å; E228-R232 VanDerWaalsContact O-CG 3.28Å; E228-R232 WeakPolarHBondContact O-CG 3.37Å; E228-R232 PolarHBondContact O-N 3.09Å; E228-R232 VanDerWaalsContact O-N 3.15Å; E228-R232 PolarHBondContact O-NE 2.95Å; E228-R232 VanDerWaalsContact O-NE 3.15Å; S229-R232 PolarHBondContact O-N 2.77Å; S229-R232 PolarHBondContact OG-NH2 3.11Å; F230-R232 VanDerWaalsContact C-N 3.25Å; F230-R232 PolarHBondContact O-N 3.11Å; R232-R236 WeakPolarHBondContact O-CG 3.49Å; R232-R236 PolarHBondContact O-N 3.37Å
233L87.9Confident87.2Confident78 Ų7881.6 Ų81.641%0.40840%0.397SS..Hα-helixtrans-64.1-49.9177.2-176.363.5000111.4S229 F230 K235 R236 M237S229-L233 PolarHBondContact O-N 3.37Å; S229-L233 VanDerWaalsContact O-N 3.15Å; F230-L233 WeakPolarHBondContact O-CA 3.39Å; F230-L233 WeakPolarHBondContact O-CB 3.08Å; F230-L233 PolarHBondContact O-N 3.41Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.21Å; L233-R236 PolarHBondContact O-N 3.45Å; L233-R236 VanDerWaalsContact O-N 3.11Å; L233-M237 HydrophobicContact CD1-CE 3.96Å; L233-M237 HydrophobicContact CD1-CG 4.39Å; L233-M237 WeakPolarHBondContact O-CG 3.48Å; L233-M237 PolarHBondContact O-N 2.87Å
234T87.4Confident87.3Confident49 Ų4982.6 Ų82.630%0.30140%0.401SS..Hα-helixtrans-59.8-42179.8-47.60000111.6E17 F230 R236 M237 D238E17-T234 WeakPolarHBondContact OE1-CA 3.47Å; E17-T234 VanDerWaalsContact OE1-CB 3.23Å; E17-T234 WeakPolarHBondContact OE1-CB 3.32Å; E17-T234 PolarHBondContact OE1-N 3.08Å; E17-T234 PolarHBondContact OE1-OG1 2.88Å; F230-T234 PolarHBondContact O-N 2.91Å; F230-T234 PolarHBondContact O-OG1 2.94Å; F230-T234 VanDerWaalsContact O-OG1 3.06Å; T234-R236 PolarHBondContact O-N 2.93Å; T234-M237 PolarHBondContact O-N 2.87Å; T234-D238 WeakPolarHBondContact O-CB 3.42Å; T234-D238 PolarHBondContact O-N 3.27Å
235K89.9Confident87.3Confident145 Ų14582.4 Ų82.463%0.6340%0.4SS*.Hα-helixtrans-60.9-43.5175.5-78.4178.4-177.7177.40112.3Q231 L233 Q239Q231-K235 WeakPolarHBondContact O-CB 3.28Å; Q231-K235 VanDerWaalsContact O-CG 3.3Å; Q231-K235 WeakPolarHBondContact O-CG 3.34Å; Q231-K235 PolarHBondContact O-N 3.29Å; Q231-K235 VanDerWaalsContact O-N 3.14Å; L233-K235 VanDerWaalsContact C-N 3.32Å; L233-K235 PolarHBondContact O-N 3.21Å; K235-Q239 VanDerWaalsContact O-CG 3.3Å; K235-Q239 WeakPolarHBondContact O-CG 3.45Å; K235-Q239 PolarHBondContact O-N 2.93Å
236R88.8Confident87.4Confident176 Ų17687.5 Ų87.566%0.66442%0.422SS*.Hα-helixtrans-64.9-41.2177.4-74.1178.3-178.1177.51.5111.8R232 L233 T234 Q239 G240R232-R236 WeakPolarHBondContact O-CG 3.49Å; R232-R236 PolarHBondContact O-N 3.37Å; L233-R236 PolarHBondContact O-N 3.45Å; L233-R236 VanDerWaalsContact O-N 3.11Å; T234-R236 PolarHBondContact O-N 2.93Å; R236-Q239 WeakPolarHBondContact O-CB 3.45Å; R236-Q239 PolarHBondContact O-N 3.32Å; R236-G240 PolarHBondContact O-N 2.92Å
237M85.7Confident87.2Confident91 Ų9190.1 Ų90.145%0.44843%0.434SS..Hα-helixtrans-69.4-41179.6-66.4-68-176.300111.8Y9 L233 T234 Q239 G240 V241Y9-M237 HydrophobicContact CE2-CB 4Å; Y9-M237 WeakPolarHBondContact OH-CB 3.47Å; L233-M237 HydrophobicContact CD1-CE 3.96Å; L233-M237 HydrophobicContact CD1-CG 4.39Å; L233-M237 WeakPolarHBondContact O-CG 3.48Å; L233-M237 PolarHBondContact O-N 2.87Å; T234-M237 PolarHBondContact O-N 2.87Å; M237-Q239 VanDerWaalsContact C-N 3.32Å; M237-Q239 PolarHBondContact O-N 3.07Å; M237-G240 WeakPolarHBondContact O-CA 3.4Å; M237-G240 PolarHBondContact O-N 2.94Å; M237-V241 WeakPolarHBondContact O-CG2 3.48Å; M237-V241 PolarHBondContact O-N 2.86Å
238D87.3Confident86.9Confident69 Ų6987.4 Ų87.437%0.36943%0.429SS..Hα-helixtrans-61.9-37.9173.9-173.756.8000112.3T234 V241 K242T234-D238 WeakPolarHBondContact O-CB 3.42Å; T234-D238 PolarHBondContact O-N 3.27Å; D238-V241 PolarHBondContact O-N 3.49Å; D238-K242 WeakPolarHBondContact O-CG 3.4Å; D238-K242 PolarHBondContact O-N 3.27Å; D238-K242 WeakPolarHBondContact OD2-CE 3.41Å; D238-K242 IonicContact OD2-NZ 3.01Å; D238-K242 PolarHBondContact OD2-NZ 3.27Å
239Q90Very high86.5Confident123 Ų12387.6 Ų87.658%0.57544%0.44SS*.Hα-helixtrans-60.3-44.9170-74.2173.3-2000111.8K235 R236 M237 V241 K242 V243K235-Q239 VanDerWaalsContact O-CG 3.3Å; K235-Q239 WeakPolarHBondContact O-CG 3.45Å; K235-Q239 PolarHBondContact O-N 2.93Å; R236-Q239 WeakPolarHBondContact O-CB 3.45Å; R236-Q239 PolarHBondContact O-N 3.32Å; M237-Q239 VanDerWaalsContact C-N 3.32Å; M237-Q239 PolarHBondContact O-N 3.07Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-V241 PolarHBondContact O-N 3.3Å; Q239-K242 PolarHBondContact O-N 3.49Å; Q239-V243 WeakPolarHBondContact O-CG2 3.44Å; Q239-V243 PolarHBondContact O-N 2.89Å; Q239-V243 VanDerWaalsContact O-N 3.08Å
240G87.4Confident86.2Confident41 Ų4191 Ų9142%0.42345%0.448SS..Hα-helixtrans-60-40.5176.200000113.2R236 M237 V243 L244R236-G240 PolarHBondContact O-N 2.92Å; M237-G240 WeakPolarHBondContact O-CA 3.4Å; M237-G240 PolarHBondContact O-N 2.94Å; G240-V243 PolarHBondContact O-N 3.05Å; G240-L244 PolarHBondContact O-N 3.23Å
241V85.6Confident86Confident8 Ų891.9 Ų91.95%0.04846%0.457CS..Hα-helixtrans-62.5-45.4174.8171.60000111.1M6 Y9 M237 D238 Q239 V243 L244 Q245M6-V241 HydrophobicContact CE-CG1 4.03Å; M6-V241 WeakPolarHBondContact CE-O 3.37Å; M6-V241 HydrophobicContact SD-CG1 3.68Å; Y9-V241 HydrophobicContact CD1-CG2 3.32Å; Y9-V241 HydrophobicContact CD2-CG2 3.99Å; Y9-V241 HydrophobicContact CE1-CB 4.49Å; Y9-V241 HydrophobicContact CE1-CG2 3.27Å; Y9-V241 HydrophobicContact CE2-CG2 3.89Å; Y9-V241 HydrophobicContact CG-CG2 3.7Å; M237-V241 WeakPolarHBondContact O-CG2 3.48Å; M237-V241 PolarHBondContact O-N 2.86Å; D238-V241 PolarHBondContact O-N 3.49Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-V241 PolarHBondContact O-N 3.3Å; V241-V243 VanDerWaalsContact C-N 3.29Å; V241-V243 PolarHBondContact O-N 2.04Å; V241-L244 WeakPolarHBondContact O-CB 3.49Å; V241-L244 PolarHBondContact O-N 3.44Å; V241-L244 VanDerWaalsContact O-N 3.09Å; V241-Q245 PolarHBondContact O-N 2.63Å
242K86.9Confident85.7Confident124 Ų12494 Ų9454%0.53947%0.465SS..Hα-helixtrans-59.2-41.6176.9-72.6169.1-175.9160.20111.8D238 Q239 Q245 M246D238-K242 WeakPolarHBondContact O-CG 3.4Å; D238-K242 PolarHBondContact O-N 3.27Å; D238-K242 WeakPolarHBondContact OD2-CE 3.41Å; D238-K242 IonicContact OD2-NZ 3.01Å; D238-K242 PolarHBondContact OD2-NZ 3.27Å; Q239-K242 PolarHBondContact O-N 3.49Å; K242-Q245 WeakPolarHBondContact O-CB 3.49Å; K242-Q245 PolarHBondContact O-N 3.38Å; K242-M246 PolarHBondContact O-N 2.95Å
243V87.5Confident85.6Confident78 Ų7890 Ų9047%0.47346%0.456SS..Hα-helixtrans-61.9-44.11741750000111Q239 G240 V241 Q245 M246 L247Q239-V243 WeakPolarHBondContact O-CG2 3.44Å; Q239-V243 PolarHBondContact O-N 2.89Å; Q239-V243 VanDerWaalsContact O-N 3.08Å; G240-V243 PolarHBondContact O-N 3.05Å; V241-V243 VanDerWaalsContact C-N 3.29Å; V241-V243 PolarHBondContact O-N 2.04Å; V243-Q245 VanDerWaalsContact C-N 3.28Å; V243-Q245 PolarHBondContact O-N 2.97Å; V243-M246 WeakPolarHBondContact O-CB 3.43Å; V243-M246 PolarHBondContact O-N 3.06Å; V243-L247 WeakPolarHBondContact O-CG 3.5Å; V243-L247 PolarHBondContact O-N 3.14Å
244L84.5Confident85.5Confident46 Ų4689 Ų8924%0.24145%0.453CS..Hα-helixtrans-62.5-35.7176.8-171.564.7000112.3V2 V5 M6 G240 V241 L247 L248V2-L244 HydrophobicContact CG1-CD1 3.67Å; V2-L244 HydrophobicContact CG1-CD2 4.25Å; V2-L244 HydrophobicContact CG1-CG 3.64Å; V5-L244 HydrophobicContact CB-CD2 4.18Å; V5-L244 HydrophobicContact CG1-CD2 3.71Å; M6-L244 HydrophobicContact CE-CB 3.85Å; M6-L244 HydrophobicContact CE-CD2 4.21Å; M6-L244 HydrophobicContact CE-CG 4.01Å; M6-L244 HydrophobicContact CG-CD2 4.17Å; M6-L244 HydrophobicContact SD-CD2 3.99Å; M6-L244 HydrophobicContact SD-CG 4.44Å; G240-L244 PolarHBondContact O-N 3.23Å; V241-L244 WeakPolarHBondContact O-CB 3.49Å; V241-L244 PolarHBondContact O-N 3.44Å; V241-L244 VanDerWaalsContact O-N 3.09Å; L244-L247 PolarHBondContact O-N 2.99Å; L244-L248 PolarHBondContact O-N 3.22Å; L244-L248 VanDerWaalsContact O-N 3.11Å
245Q83.8Confident85.5Confident100 Ų10090.8 Ų90.847%0.46746%0.464SS..Hα-helixtrans-66.9-42176-168.1169.7-2700111M6 V241 K242 V243 L247 L248 S249M6-Q245 HydrophobicContact CE-CB 3.45Å; M6-Q245 VanDerWaalsContact CE-CB 3.45Å; M6-Q245 HydrophobicContact CE-CG 4.25Å; V241-Q245 PolarHBondContact O-N 2.63Å; K242-Q245 WeakPolarHBondContact O-CB 3.49Å; K242-Q245 PolarHBondContact O-N 3.38Å; V243-Q245 VanDerWaalsContact C-N 3.28Å; V243-Q245 PolarHBondContact O-N 2.97Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.07Å; Q245-L248 VanDerWaalsContact O-CB 3.32Å; Q245-L248 WeakPolarHBondContact O-CB 3.33Å; Q245-L248 PolarHBondContact O-N 2.96Å; Q245-L248 VanDerWaalsContact O-N 3.14Å; Q245-S249 PolarHBondContact O-N 3.33Å
246M85.1Confident85.4Confident126 Ų12689.2 Ų89.262%0.62146%0.457SS*.Hα-helixtrans-61.1-41.5174.5-176.3179.867.300111.7K242 V243 L248 S249K242-M246 PolarHBondContact O-N 2.95Å; V243-M246 WeakPolarHBondContact O-CB 3.43Å; V243-M246 PolarHBondContact O-N 3.06Å; M246-L248 VanDerWaalsContact C-N 3.27Å; M246-L248 PolarHBondContact O-N 2.91Å; M246-S249 WeakPolarHBondContact O-CB 3.44Å; M246-S249 PolarHBondContact O-N 2.95Å
247L81.7Confident85.5Confident95 Ų9584.7 Ų84.750%0.49745%0.446SS..Hα-helixtrans-62.7-33.4174.7-70.3173.2000112.5V243 L244 Q245 S249 F250 T251V243-L247 WeakPolarHBondContact O-CG 3.5Å; V243-L247 PolarHBondContact O-N 3.14Å; L244-L247 PolarHBondContact O-N 2.99Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.07Å; L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 3.48Å; L247-F250 PolarHBondContact O-N 3.17Å; L247-F250 VanDerWaalsContact O-N 3.11Å; L247-T251 PolarHBondContact O-N 3.36Å
248L80.4Confident85.6Confident69 Ų6986 Ų8636%0.36145%0.451SS..Hα-helixtrans-61.6-38.4176.3-163.4143.7000111.2V2 L244 Q245 M246 F250 T251V2-L248 HydrophobicContact CB-CD1 3.89Å; V2-L248 HydrophobicContact CB-CG 4.48Å; V2-L248 HydrophobicContact CG1-CB 4Å; V2-L248 HydrophobicContact CG1-CD1 3.67Å; V2-L248 HydrophobicContact CG1-CG 4.24Å; L244-L248 PolarHBondContact O-N 3.22Å; L244-L248 VanDerWaalsContact O-N 3.11Å; Q245-L248 VanDerWaalsContact O-CB 3.32Å; Q245-L248 WeakPolarHBondContact O-CB 3.33Å; Q245-L248 PolarHBondContact O-N 2.96Å; Q245-L248 VanDerWaalsContact O-N 3.14Å; M246-L248 VanDerWaalsContact C-N 3.27Å; M246-L248 PolarHBondContact O-N 2.91Å; L248-F250 PolarHBondContact O-N 2.89Å; L248-T251 WeakPolarHBondContact O-CB 2.98Å; L248-T251 WeakPolarHBondContact O-CG2 3.36Å; L248-T251 PolarHBondContact O-N 3.05Å; L248-T251 VanDerWaalsContact O-N 3.15Å; L248-T251 PolarHBondContact O-OG1 3.08Å
249S80.8Confident85.8Confident91 Ų9185.2 Ų85.264%0.63645%0.454SS*.Hα-helixtrans-60.9-32.9174.4-56.80000112.8Q245 M246 L247 T251Q245-S249 PolarHBondContact O-N 3.33Å; M246-S249 WeakPolarHBondContact O-CB 3.44Å; M246-S249 PolarHBondContact O-N 2.95Å; L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 3.48Å; S249-T251 VanDerWaalsContact C-N 3.29Å; S249-T251 PolarHBondContact O-N 3.11Å
250F83.1Confident85.8Confident127 Ų12782.7 Ų82.756%0.55745%0.446SS*.Hα-helixtrans-76.3-13.7179.3-158.5-100.8000113.6L247 L248 F252 V253 T254L247-F250 PolarHBondContact O-N 3.17Å; L247-F250 VanDerWaalsContact O-N 3.11Å; L248-F250 PolarHBondContact O-N 2.89Å; F250-F252 PolarHBondContact O-N 3.41Å; F250-V253 HydrophobicContact CD2-CG2 4.26Å; F250-V253 HydrophobicContact CE2-CB 4.38Å; F250-V253 HydrophobicContact CE2-CG1 4.48Å; F250-V253 HydrophobicContact CE2-CG2 4.26Å; F250-V253 HydrophobicContact CZ-CB 4.37Å; F250-V253 HydrophobicContact CZ-CG1 4.22Å; F250-V253 PolarHBondContact O-N 3.15Å; F250-V253 VanDerWaalsContact O-N 3.13Å; F250-T254 HydrophobicContact CD1-CG2 4.22Å; F250-T254 HydrophobicContact CE1-CG2 4.35Å; F250-T254 PolarHBondContact O-N 3.01Å
251T83.4Confident86Confident64 Ų6485.9 Ų85.939%0.39345%0.451SS..Hα-helixtrans-62.9-27.1178.363.80000113.1L247 L248 S249 T254 V255L247-T251 PolarHBondContact O-N 3.36Å; L248-T251 WeakPolarHBondContact O-CB 2.98Å; L248-T251 WeakPolarHBondContact O-CG2 3.36Å; L248-T251 PolarHBondContact O-N 3.05Å; L248-T251 VanDerWaalsContact O-N 3.15Å; L248-T251 PolarHBondContact O-OG1 3.08Å; S249-T251 VanDerWaalsContact C-N 3.29Å; S249-T251 PolarHBondContact O-N 3.11Å; T251-T254 PolarHBondContact O-N 2.92Å; T251-T254 PolarHBondContact O-OG1 3.05Å; T251-V255 WeakPolarHBondContact O-CG2 3.35Å; T251-V255 PolarHBondContact O-N 3.43Å
252F83.7Confident86.3Confident132 Ų13286.3 Ų86.358%0.57945%0.451SS*.Hα-helixtrans-60.1-47.5173.6-178.1-98.5000110.9F250 T254 V255 F256F250-F252 PolarHBondContact O-N 3.41Å; F252-T254 VanDerWaalsContact C-N 3.29Å; F252-T254 PolarHBondContact O-N 3.43Å; F252-V255 PolarHBondContact O-N 3.27Å; F252-V255 VanDerWaalsContact O-N 3.16Å; F252-F256 AromaticContact CD1-CD2 3.87Å; F252-F256 HydrophobicContact CD1-CD2 3.87Å; F252-F256 AromaticContact CD1-CE2 3.85Å; F252-F256 HydrophobicContact CD1-CE2 3.85Å; F252-F256 HydrophobicContact CD2-CD2 4.33Å; F252-F256 AromaticContact CD2-CE2 3.83Å; F252-F256 HydrophobicContact CD2-CE2 3.83Å; F252-F256 AromaticContact CE1-CD2 3.67Å; F252-F256 HydrophobicContact CE1-CD2 3.67Å; F252-F256 AromaticContact CE1-CE2 3.28Å; F252-F256 HydrophobicContact CE1-CE2 3.28Å; F252-F256 AromaticContact CE1-CZ 3.84Å; F252-F256 HydrophobicContact CE1-CZ 3.84Å; F252-F256 HydrophobicContact CE2-CD2 4.17Å; F252-F256 AromaticContact CE2-CE2 3.28Å; F252-F256 HydrophobicContact CE2-CE2 3.28Å; F252-F256 AromaticContact CE2-CZ 3.99Å; F252-F256 HydrophobicContact CE2-CZ 3.99Å; F252-F256 HydrophobicContact CG-CD2 4.22Å; F252-F256 HydrophobicContact CG-CE2 4.11Å; F252-F256 AromaticContact CZ-CD2 3.86Å; F252-F256 HydrophobicContact CZ-CD2 3.86Å; F252-F256 AromaticContact CZ-CE2 2.99Å; F252-F256 HydrophobicContact CZ-CE2 2.99Å; F252-F256 AromaticContact CZ-CZ 3.4Å; F252-F256 HydrophobicContact CZ-CZ 3.4Å; F252-F256 VanDerWaalsContact O-CD2 3.3Å; F252-F256 WeakPolarHBondContact O-CD2 3.32Å; F252-F256 PolarHBondContact O-N 3.42Å; F252-F256 VanDerWaalsContact O-N 3.12Å
253V87.4Confident86.5Confident58 Ų5884 Ų8435%0.35244%0.444SS..Hα-helixtrans-59.6-40.8-179.7-177.50000111.2F250 V255 F256 I257F250-V253 HydrophobicContact CD2-CG2 4.26Å; F250-V253 HydrophobicContact CE2-CB 4.38Å; F250-V253 HydrophobicContact CE2-CG1 4.48Å; F250-V253 HydrophobicContact CE2-CG2 4.26Å; F250-V253 HydrophobicContact CZ-CB 4.37Å; F250-V253 HydrophobicContact CZ-CG1 4.22Å; F250-V253 PolarHBondContact O-N 3.15Å; F250-V253 VanDerWaalsContact O-N 3.13Å; V253-V255 PolarHBondContact O-N 3.5Å; V253-F256 PolarHBondContact O-N 3.42Å; V253-I257 HydrophobicContact CG1-CD1 3.93Å; V253-I257 HydrophobicContact CG1-CG1 4.47Å; V253-I257 WeakPolarHBondContact O-CG1 3.35Å; V253-I257 PolarHBondContact O-N 3.18Å
254T84.9Confident86.7Confident56 Ų5688.5 Ų88.534%0.34445%0.453SS..Hα-helixtrans-67.2-37179.765.60000112.4F250 T251 F252 F256 I257 Q258F250-T254 HydrophobicContact CD1-CG2 4.22Å; F250-T254 HydrophobicContact CE1-CG2 4.35Å; F250-T254 PolarHBondContact O-N 3.01Å; T251-T254 PolarHBondContact O-N 2.92Å; T251-T254 PolarHBondContact O-OG1 3.05Å; F252-T254 VanDerWaalsContact C-N 3.29Å; F252-T254 PolarHBondContact O-N 3.43Å; T254-F256 VanDerWaalsContact C-N 3.34Å; T254-F256 PolarHBondContact O-N 3.49Å; T254-I257 PolarHBondContact O-N 3.03Å; T254-Q258 VanDerWaalsContact O-CG 3.32Å; T254-Q258 WeakPolarHBondContact O-CG 3.28Å; T254-Q258 PolarHBondContact O-N 3.29Å
255V87.2Confident86.9Confident87 Ų8788.4 Ų88.453%0.52746%0.456SS..Hα-helixtrans-62.2-41.5173.4173.60000111.1T251 F252 V253 Q258 A259T251-V255 WeakPolarHBondContact O-CG2 3.35Å; T251-V255 PolarHBondContact O-N 3.43Å; F252-V255 PolarHBondContact O-N 3.27Å; F252-V255 VanDerWaalsContact O-N 3.16Å; V253-V255 PolarHBondContact O-N 3.5Å; V255-Q258 PolarHBondContact O-N 2.98Å; V255-A259 PolarHBondContact O-N 2.94Å
256F89.2Confident87.2Confident112 Ų11283.7 Ų83.749%0.49143%0.434SS..Hα-helixtrans-64.3-45.3176.2-87.2-99.9000112.4F252 V253 T254 Q258 A259 V260F252-F256 AromaticContact CD1-CD2 3.87Å; F252-F256 HydrophobicContact CD1-CD2 3.87Å; F252-F256 AromaticContact CD1-CE2 3.85Å; F252-F256 HydrophobicContact CD1-CE2 3.85Å; F252-F256 HydrophobicContact CD2-CD2 4.33Å; F252-F256 AromaticContact CD2-CE2 3.83Å; F252-F256 HydrophobicContact CD2-CE2 3.83Å; F252-F256 AromaticContact CE1-CD2 3.67Å; F252-F256 HydrophobicContact CE1-CD2 3.67Å; F252-F256 AromaticContact CE1-CE2 3.28Å; F252-F256 HydrophobicContact CE1-CE2 3.28Å; F252-F256 AromaticContact CE1-CZ 3.84Å; F252-F256 HydrophobicContact CE1-CZ 3.84Å; F252-F256 HydrophobicContact CE2-CD2 4.17Å; F252-F256 AromaticContact CE2-CE2 3.28Å; F252-F256 HydrophobicContact CE2-CE2 3.28Å; F252-F256 AromaticContact CE2-CZ 3.99Å; F252-F256 HydrophobicContact CE2-CZ 3.99Å; F252-F256 HydrophobicContact CG-CD2 4.22Å; F252-F256 HydrophobicContact CG-CE2 4.11Å; F252-F256 AromaticContact CZ-CD2 3.86Å; F252-F256 HydrophobicContact CZ-CD2 3.86Å; F252-F256 AromaticContact CZ-CE2 2.99Å; F252-F256 HydrophobicContact CZ-CE2 2.99Å; F252-F256 AromaticContact CZ-CZ 3.4Å; F252-F256 HydrophobicContact CZ-CZ 3.4Å; F252-F256 VanDerWaalsContact O-CD2 3.3Å; F252-F256 WeakPolarHBondContact O-CD2 3.32Å; F252-F256 PolarHBondContact O-N 3.42Å; F252-F256 VanDerWaalsContact O-N 3.12Å; V253-F256 PolarHBondContact O-N 3.42Å; T254-F256 VanDerWaalsContact C-N 3.34Å; T254-F256 PolarHBondContact O-N 3.49Å; F256-Q258 VanDerWaalsContact C-N 3.31Å; F256-Q258 PolarHBondContact O-N 2.92Å; F256-A259 PolarHBondContact O-N 2.87Å; F256-V260 WeakPolarHBondContact O-CG2 3.42Å; F256-V260 PolarHBondContact O-N 3.18Å
257I90.1Very high87.3Confident82 Ų8284.9 Ų84.942%0.42143%0.432SS..Hα-helixtrans-58.7-45.9177.1-67.5166.7000110.2V253 T254 A259 V260 Q261V253-I257 HydrophobicContact CG1-CD1 3.93Å; V253-I257 HydrophobicContact CG1-CG1 4.47Å; V253-I257 WeakPolarHBondContact O-CG1 3.35Å; V253-I257 PolarHBondContact O-N 3.18Å; T254-I257 PolarHBondContact O-N 3.03Å; I257-A259 VanDerWaalsContact C-N 3.33Å; I257-A259 PolarHBondContact O-N 3.44Å; I257-V260 PolarHBondContact O-N 3.15Å; I257-Q261 HydrophobicContact CG2-CG 4.35Å; I257-Q261 WeakPolarHBondContact O-CB 3.44Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.39Å; I257-Q261 PolarHBondContact O-N 2.92Å
258Q88.6Confident87.6Confident118 Ų11885.4 Ų85.455%0.55144%0.439SS*.Hα-helixtrans-62.2-38.8177.5-72.9-179.613.900112.5T254 V255 F256 Y262T254-Q258 VanDerWaalsContact O-CG 3.32Å; T254-Q258 WeakPolarHBondContact O-CG 3.28Å; T254-Q258 PolarHBondContact O-N 3.29Å; V255-Q258 PolarHBondContact O-N 2.98Å; F256-Q258 VanDerWaalsContact C-N 3.31Å; F256-Q258 PolarHBondContact O-N 2.92Å; Q258-Y262 WeakPolarHBondContact O-CB 3.4Å; Q258-Y262 PolarHBondContact O-N 2.97Å
259A90Very high88Confident52 Ų5285.6 Ų85.643%0.4344%0.44SS..Hα-helixtrans-64.9-45176.900000112V255 F256 I257 Y262 L263V255-A259 PolarHBondContact O-N 2.94Å; F256-A259 PolarHBondContact O-N 2.87Å; I257-A259 VanDerWaalsContact C-N 3.33Å; I257-A259 PolarHBondContact O-N 3.44Å; A259-Y262 PolarHBondContact O-N 3.14Å; A259-L263 PolarHBondContact O-N 3Å
260V90.9Very high88.2Confident70 Ų7083.6 Ų83.642%0.42442%0.422SS..Hα-helixtrans-64.4-43.7176.9173.50000111F256 I257 Y262 L263 R264F256-V260 WeakPolarHBondContact O-CG2 3.42Å; F256-V260 PolarHBondContact O-N 3.18Å; I257-V260 PolarHBondContact O-N 3.15Å; V260-Y262 PolarHBondContact O-N 3.38Å; V260-L263 PolarHBondContact O-N 3.44Å; V260-R264 HydrophobicContact CG1-CG 4.43Å; V260-R264 WeakPolarHBondContact O-CG 3.49Å; V260-R264 PolarHBondContact O-N 3.32Å
261Q91.7Very high88.2Confident109 Ų10981.3 Ų81.351%0.50942%0.422SS..Hα-helixtrans-59.4-45.9175.5-75.9175.5-10.500111.4I257 L263 R264 S265I257-Q261 HydrophobicContact CG2-CG 4.35Å; I257-Q261 WeakPolarHBondContact O-CB 3.44Å; I257-Q261 VanDerWaalsContact O-CG 3.29Å; I257-Q261 WeakPolarHBondContact O-CG 3.39Å; I257-Q261 PolarHBondContact O-N 2.92Å; Q261-L263 VanDerWaalsContact C-N 3.35Å; Q261-L263 PolarHBondContact O-N 2.85Å; Q261-R264 PolarHBondContact O-N 3.36Å; Q261-S265 PolarHBondContact O-N 3.35Å; Q261-S265 PolarHBondContact O-OG 2.84Å
262Y92.3Very high88.2Confident17 Ų1781.6 Ų81.67%0.06742%0.418CS..Hα-helixtrans-58.8-45.5176-179-92.6000111.7Q258 A259 V260 R264 S265 Y266 F272 D273 R442 A446Q258-Y262 WeakPolarHBondContact O-CB 3.4Å; Q258-Y262 PolarHBondContact O-N 2.97Å; A259-Y262 PolarHBondContact O-N 3.14Å; V260-Y262 PolarHBondContact O-N 3.38Å; Y262-R264 PolarHBondContact O-N 3.07Å; Y262-S265 PolarHBondContact O-N 3.23Å; Y262-Y266 HydrophobicContact CE1-CD2 4.14Å; Y262-Y266 VanDerWaalsContact O-CB 3.29Å; Y262-Y266 WeakPolarHBondContact O-CB 3.44Å; Y262-Y266 PolarHBondContact O-N 3.15Å; Y262-F272 AromaticContact CD2-CE1 3.77Å; Y262-F272 HydrophobicContact CD2-CE1 3.77Å; Y262-F272 AromaticContact CD2-CZ 3.83Å; Y262-F272 HydrophobicContact CD2-CZ 3.83Å; Y262-F272 AromaticContact CE2-CE1 3.65Å; Y262-F272 HydrophobicContact CE2-CE1 3.65Å; Y262-F272 AromaticContact CE2-CZ 3.94Å; Y262-F272 HydrophobicContact CE2-CZ 3.94Å; Y262-D273 PolarHBondContact OH-OD2 3.2Å; Y262-R442 HydrophobicContact CD1-CG 3.86Å; Y262-R442 VanDerWaalsContact CD2-CZ 3.43Å; Y262-R442 HydrophobicContact CE1-CG 3.73Å; Y262-A446 HydrophobicContact CE1-CB 4.32Å
263L90.6Very high88.1Confident74 Ų7477.6 Ų77.639%0.38740%0.402SS..Hα-helixtrans-64.9-39.8178.8-175.462.5000112.2A259 V260 Q261 Y266 R267A259-L263 PolarHBondContact O-N 3Å; V260-L263 PolarHBondContact O-N 3.44Å; Q261-L263 VanDerWaalsContact C-N 3.35Å; Q261-L263 PolarHBondContact O-N 2.85Å; L263-Y266 WeakPolarHBondContact O-CB 3.46Å; L263-Y266 PolarHBondContact O-N 3.21Å; L263-R267 WeakPolarHBondContact O-CG 3.36Å; L263-R267 PolarHBondContact O-N 2.92Å
264R91.2Very high88Confident173 Ų17375.4 Ų75.465%0.65339%0.389SS*.Hα-helixtrans-60.4-52.5174.2-75.2-179.5-175.3176.82.5110.6V260 Q261 Y262 Y266 R267 T268V260-R264 HydrophobicContact CG1-CG 4.43Å; V260-R264 WeakPolarHBondContact O-CG 3.49Å; V260-R264 PolarHBondContact O-N 3.32Å; Q261-R264 PolarHBondContact O-N 3.36Å; Y262-R264 PolarHBondContact O-N 3.07Å; R264-Y266 VanDerWaalsContact C-N 3.28Å; R264-Y266 PolarHBondContact O-N 3.42Å; R264-R267 PolarHBondContact O-N 3.15Å; R264-R267 VanDerWaalsContact O-N 3.07Å; R264-T268 WeakPolarHBondContact O-CG2 3.32Å; R264-T268 PolarHBondContact O-N 3.26Å; R264-T268 PolarHBondContact O-OG1 3.3Å; R264-T268 VanDerWaalsContact O-OG1 3.06Å
265S89.6Confident87.9Confident45 Ų4575 Ų7532%0.31539%0.386SS..Hα-helixtrans-60.5-36.1177.8-62.10000112.8Q261 Y262 R267 N269Q261-S265 PolarHBondContact O-N 3.35Å; Q261-S265 PolarHBondContact O-OG 2.84Å; Y262-S265 PolarHBondContact O-N 3.23Å; S265-R267 VanDerWaalsContact C-N 3.32Å; S265-R267 PolarHBondContact O-N 3.1Å; S265-N269 PolarHBondContact O-N 3.15Å
266Y89.5Confident87.8Confident0 Ų071.7 Ų71.70%036%0.364CS..Hα-helixtrans-62.6-38.3174.8-171.6-77.4000112.6Y262 L263 R264 R443 A446 A447 N450 E454 R457Y262-Y266 HydrophobicContact CE1-CD2 4.14Å; Y262-Y266 VanDerWaalsContact O-CB 3.29Å; Y262-Y266 WeakPolarHBondContact O-CB 3.44Å; Y262-Y266 PolarHBondContact O-N 3.15Å; L263-Y266 WeakPolarHBondContact O-CB 3.46Å; L263-Y266 PolarHBondContact O-N 3.21Å; R264-Y266 VanDerWaalsContact C-N 3.28Å; R264-Y266 PolarHBondContact O-N 3.42Å; Y266-R443 PolarHBondContact OH-NH2 3.04Å; Y266-A446 HydrophobicContact CD1-CB 4.34Å; Y266-A446 HydrophobicContact CD2-CB 3.71Å; Y266-A446 HydrophobicContact CE1-CB 4.26Å; Y266-A446 HydrophobicContact CE2-CB 3.52Å; Y266-A446 HydrophobicContact CG-CB 4.12Å; Y266-A447 WeakPolarHBondContact OH-CA 3.44Å; Y266-A447 WeakPolarHBondContact OH-CB 3.48Å; Y266-A447 PolarHBondContact OH-N 3.14Å; Y266-N450 HydrophobicContact CE1-CB 4.44Å; Y266-E454 PolarHBondContact OH-OE2 3.46Å; Y266-R457 VanDerWaalsContact CD1-NH1 3.26Å; Y266-R457 VanDerWaalsContact CE1-NH1 3.31Å; Y266-R457 VanDerWaalsContact CZ-NH1 3.27Å; Y266-R457 PolarHBondContact O-NH1 3.07Å; Y266-R457 VanDerWaalsContact O-NH1 3.07Å
267R87.4Confident87.5Confident152 Ų15267 Ų6757%0.57434%0.344SS*.Hα-helixtrans-80.5-38.2-179.3-72179.266.61800.7112.2L263 R264 S265 R453L263-R267 WeakPolarHBondContact O-CG 3.36Å; L263-R267 PolarHBondContact O-N 2.92Å; R264-R267 PolarHBondContact O-N 3.15Å; R264-R267 VanDerWaalsContact O-N 3.07Å; S265-R267 VanDerWaalsContact C-N 3.32Å; S265-R267 PolarHBondContact O-N 3.1Å; R267-R453 PolarHBondContact O-NE 3.39Å; R267-R453 PolarHBondContact O-NH2 3.2Å
268T88.3Confident87.3Confident106 Ų10664.3 Ų64.365%0.6533%0.331SS*.Hα-helixtrans-83-47-17655.60000112.6R264 R453R264-T268 WeakPolarHBondContact O-CG2 3.32Å; R264-T268 PolarHBondContact O-N 3.26Å; R264-T268 PolarHBondContact O-OG1 3.3Å; R264-T268 VanDerWaalsContact O-OG1 3.06Å; T268-R453 PolarHBondContact O-NH2 3.41Å
269N87.9Confident87.2Confident73 Ų7362.6 Ų62.639%0.3933%0.333SS..  trans-100.6121.6-171.4-169-16.3000112.5S265 S271 F272S265-N269 PolarHBondContact O-N 3.15Å; N269-S271 PolarHBondContact OD1-N 3.28Å; N269-S271 PolarHBondContact OD1-OG 2.95Å; N269-F272 HydrophobicContact CB-CB 3.81Å
270I85.5Confident87Confident49 Ų4964 Ų6425%0.25133%0.328SS..SBendtrans-75.1-29.4-178.7-62.3177.9000112N274 R457 F460I270-N274 VanDerWaalsContact O-CB 3.3Å; I270-N274 WeakPolarHBondContact O-CB 3.32Å; I270-N274 PolarHBondContact O-ND2 2.89Å; I270-N274 VanDerWaalsContact O-ND2 3.11Å; I270-R457 HydrophobicContact CG2-CG 4.27Å; I270-F460 HydrophobicContact CG2-CB 3.84Å; I270-F460 HydrophobicContact CG2-CD1 3.45Å; I270-F460 VanDerWaalsContact CG2-CD1 3.45Å; I270-F460 HydrophobicContact CG2-CD2 4.25Å; I270-F460 HydrophobicContact CG2-CE1 4.03Å; I270-F460 HydrophobicContact CG2-CG 3.57Å
271S82Confident86.8Confident79 Ų7960.9 Ų60.955%0.55231%0.308SS*.SBendtrans-85.5-22.2-178.264.30000113.5N269 D273 N274N269-S271 PolarHBondContact OD1-N 3.28Å; N269-S271 PolarHBondContact OD1-OG 2.95Å; S271-D273 PolarHBondContact O-N 3.49Å; S271-N274 PolarHBondContact O-N 2.9Å
272F83.8Confident86.6Confident70 Ų7061.9 Ų61.931%0.30731%0.307SS..THydrogen-bonded Turntrans-60.8114.5-177.4175.5-103.2000112.4Y262 N269 N274 R457Y262-F272 AromaticContact CD2-CE1 3.77Å; Y262-F272 HydrophobicContact CD2-CE1 3.77Å; Y262-F272 AromaticContact CD2-CZ 3.83Å; Y262-F272 HydrophobicContact CD2-CZ 3.83Å; Y262-F272 AromaticContact CE2-CE1 3.65Å; Y262-F272 HydrophobicContact CE2-CE1 3.65Å; Y262-F272 AromaticContact CE2-CZ 3.94Å; Y262-F272 HydrophobicContact CE2-CZ 3.94Å; N269-F272 HydrophobicContact CB-CB 3.81Å; F272-N274 PolarHBondContact O-N 3.49Å; F272-R457 PolarHBondContact O-NH2 2.87Å
273D82.1Confident86.5Confident47 Ų4769.3 Ų69.325%0.25134%0.335SS..THydrogen-bonded Turntrans57.431.1178.9-163.128.6000113.7Y262 S271 V275 Y276 R443Y262-D273 PolarHBondContact OH-OD2 3.2Å; S271-D273 PolarHBondContact O-N 3.49Å; D273-V275 PolarHBondContact O-N 3.21Å; D273-Y276 WeakPolarHBondContact OD1-CE2 3.36Å; D273-R443 PolarHBondContact O-NH1 3.34Å; D273-R443 WeakPolarHBondContact OD2-CD 3.05Å
274N84.4Confident86.4Confident12 Ų1266.9 Ų66.96%0.06432%0.322CS..  trans-98.165.1179.5-165.113.3000111.9I270 S271 F272 R457 L461I270-N274 VanDerWaalsContact O-CB 3.3Å; I270-N274 WeakPolarHBondContact O-CB 3.32Å; I270-N274 PolarHBondContact O-ND2 2.89Å; I270-N274 VanDerWaalsContact O-ND2 3.11Å; S271-N274 PolarHBondContact O-N 2.9Å; F272-N274 PolarHBondContact O-N 3.49Å; N274-R457 PolarHBondContact ND2-O 3.35Å; N274-L461 WeakPolarHBondContact O-CD1 3.34Å
275V83.9Confident86.2Confident48 Ų4858.7 Ų58.729%0.29129%0.292SS..  trans-122.73.3-170-169.10000112D273 R306 F307 I308D273-V275 PolarHBondContact O-N 3.21Å; V275-R306 WeakPolarHBondContact CG1-O 3.36Å; V275-F307 WeakPolarHBondContact O-CA 3.36Å; V275-I308 HydrophobicContact CG1-CG1 4.47Å; V275-I308 PolarHBondContact O-N 3.34Å
276Y84Confident86.2Confident18 Ų1860.6 Ų60.67%0.07130%0.295CS..BIsolated β-bridgetrans-98.8136.8-169.5-61.1-87.9000113.7D273 T278 I308 P310 R440 R443D273-Y276 WeakPolarHBondContact OD1-CE2 3.36Å; Y276-T278 PolarHBondContact O-N 2.92Å; Y276-I308 CarbonylContact C-O 3.53Å; Y276-I308 VanDerWaalsContact CA-O 3.24Å; Y276-I308 WeakPolarHBondContact CA-O 3.26Å; Y276-I308 HydrophobicContact CD1-CB 3.9Å; Y276-I308 HydrophobicContact CD1-CG2 4Å; Y276-I308 HydrophobicContact CE1-CB 3.98Å; Y276-I308 HydrophobicContact CE1-CG2 3.81Å; Y276-P310 HydrophobicContact CD1-CG 4.15Å; Y276-R440 HydrophobicContact CE1-CG 4.47Å; Y276-R443 HydrophobicContact CD2-CG 3.97Å; Y276-R443 HydrophobicContact CE2-CB 4.49Å; Y276-R443 HydrophobicContact CE2-CG 3.7Å
277I84.1Confident86.2Confident14 Ų1470.1 Ų70.17%0.07233%0.331CS..  trans-91.5102.7170.7-63.8172.7000108.7F281 R282 L299 F307 I308 P310I277-F281 HydrophobicContact CG2-CB 4.32Å; I277-F281 HydrophobicContact CG2-CD1 3.9Å; I277-F281 HydrophobicContact CG2-CG 4.29Å; I277-R282 HydrophobicContact CG2-CG 4.23Å; I277-L299 HydrophobicContact CD1-CD1 3.56Å; I277-L299 HydrophobicContact CD1-CD2 4.33Å; I277-L299 HydrophobicContact CD1-CG 4.46Å; I277-F307 HydrophobicContact CD1-CB 3.53Å; I277-F307 HydrophobicContact CD1-CD1 4.48Å; I277-F307 HydrophobicContact CD1-CD2 4.45Å; I277-F307 HydrophobicContact CD1-CG 3.94Å; I277-F307 HydrophobicContact CG1-CB 3.91Å; I277-F307 HydrophobicContact CG1-CD1 4.27Å; I277-F307 HydrophobicContact CG1-CG 4.2Å; I277-I308 PolarHBondContact N-O 3.23Å; I277-P310 VanDerWaalsContact O-CD 3.29Å; I277-P310 WeakPolarHBondContact O-CD 3.24Å
278T86.3Confident86.3Confident24 Ų2466.4 Ų66.415%0.14732%0.317CS..  trans-84.6167.5178.8620000112.2Y276 Y280 F281 R282 V458Y276-T278 PolarHBondContact O-N 2.92Å; T278-Y280 PolarHBondContact O-N 2.89Å; T278-F281 WeakPolarHBondContact O-CB 3.42Å; T278-F281 PolarHBondContact O-N 3.5Å; T278-F281 PolarHBondContact OG1-N 2.71Å; T278-R282 PolarHBondContact O-N 3.46Å; T278-V458 HydrophobicContact CG2-CG2 4.11Å; T278-V458 WeakPolarHBondContact OG1-CG2 3.33Å
279S84.8Confident86.3Confident83 Ų8366.8 Ų66.858%0.5831%0.307SS*.Hα-helixtrans-59.5-35.1171.854.40000112R282 R283S279-R282 PolarHBondContact O-N 2.85Å; S279-R283 WeakPolarHBondContact O-CG 3.38Å; S279-R283 PolarHBondContact O-N 3.39Å; S279-R283 VanDerWaalsContact O-N 3.11Å
280Y86.3Confident86.4Confident82 Ų8273 Ų7332%0.32233%0.325SS..Hα-helixtrans-64.6-40.1175.6-173.5-119000112.4T278 R282 R283 I284 K455 V458 L459T278-Y280 PolarHBondContact O-N 2.89Å; Y280-R282 VanDerWaalsContact C-N 3.3Å; Y280-R282 PolarHBondContact O-N 3.32Å; Y280-R283 PolarHBondContact O-N 3.03Å; Y280-I284 HydrophobicContact CD1-CD1 3.83Å; Y280-I284 HydrophobicContact CE1-CD1 3.53Å; Y280-I284 HydrophobicContact CE1-CG1 4.32Å; Y280-I284 HydrophobicContact CE2-CG1 4.47Å; Y280-I284 HydrophobicContact CG-CD1 4.45Å; Y280-I284 WeakPolarHBondContact O-CG1 3.41Å; Y280-I284 PolarHBondContact O-N 3.31Å; Y280-I284 VanDerWaalsContact O-N 3.08Å; Y280-K455 HydrophobicContact CD1-CG 4.43Å; Y280-K455 HydrophobicContact CE1-CB 4.21Å; Y280-K455 HydrophobicContact CE1-CG 4.12Å; Y280-V458 HydrophobicContact CD1-CB 4.04Å; Y280-V458 HydrophobicContact CD1-CG1 3.76Å; Y280-L459 HydrophobicContact CE1-CG 4.34Å
281F87.6Confident86.6Confident4 Ų473.6 Ų73.62%0.01834%0.337CS..Hα-helixtrans-57.4-43.3173.9-172.2-79.5000111.6I277 T278 I284 D285 L296 L297 V458 Y462I277-F281 HydrophobicContact CG2-CB 4.32Å; I277-F281 HydrophobicContact CG2-CD1 3.9Å; I277-F281 HydrophobicContact CG2-CG 4.29Å; T278-F281 WeakPolarHBondContact O-CB 3.42Å; T278-F281 PolarHBondContact O-N 3.5Å; T278-F281 PolarHBondContact OG1-N 2.71Å; F281-I284 PolarHBondContact O-N 3Å; F281-D285 PolarHBondContact O-N 3.24Å; F281-L296 HydrophobicContact CZ-CD1 4.3Å; F281-L297 HydrophobicContact CD1-CD1 4.41Å; F281-L297 HydrophobicContact CE1-CD1 4.34Å; F281-V458 HydrophobicContact CB-CG1 3.79Å; F281-V458 HydrophobicContact CD2-CG1 4.1Å; F281-V458 HydrophobicContact CG-CG1 4.44Å; F281-Y462 HydrophobicContact CD1-CD2 4.31Å; F281-Y462 AromaticContact CD2-CD2 3.89Å; F281-Y462 HydrophobicContact CD2-CD2 3.89Å; F281-Y462 AromaticContact CE1-CD2 3.99Å; F281-Y462 HydrophobicContact CE1-CD2 3.99Å; F281-Y462 HydrophobicContact CE1-CE2 4.3Å; F281-Y462 AromaticContact CE2-CD2 3.56Å; F281-Y462 HydrophobicContact CE2-CD2 3.56Å; F281-Y462 HydrophobicContact CE2-CG 4.13Å; F281-Y462 HydrophobicContact CG-CD2 4.26Å; F281-Y462 AromaticContact CZ-CD2 3.6Å; F281-Y462 HydrophobicContact CZ-CD2 3.6Å; F281-Y462 HydrophobicContact CZ-CE2 4.23Å; F281-Y462 HydrophobicContact CZ-CG 4.46Å
282R87.6Confident86.6Confident130 Ų13073.3 Ų73.349%0.49135%0.347SS..Hα-helixtrans-65.1-41.4178-64.8-177-174.91741.8112.2I277 T278 S279 Y280 I284 D285 E286 L297I277-R282 HydrophobicContact CG2-CG 4.23Å; T278-R282 PolarHBondContact O-N 3.46Å; S279-R282 PolarHBondContact O-N 2.85Å; Y280-R282 VanDerWaalsContact C-N 3.3Å; Y280-R282 PolarHBondContact O-N 3.32Å; R282-I284 VanDerWaalsContact C-N 3.35Å; R282-I284 PolarHBondContact O-N 2.87Å; R282-D285 PolarHBondContact O-N 2.88Å; R282-E286 WeakPolarHBondContact O-CG 3.36Å; R282-E286 PolarHBondContact O-N 3.17Å; R282-L297 HydrophobicContact CG-CD1 4.35Å
283R89.7Confident86.7Confident173 Ų17376.2 Ų76.265%0.65336%0.359SS*.Hα-helixtrans-62.8-38.2176.7-69.7179.9-170.7177.32.9112.8S279 Y280 R287S279-R283 WeakPolarHBondContact O-CG 3.38Å; S279-R283 PolarHBondContact O-N 3.39Å; S279-R283 VanDerWaalsContact O-N 3.11Å; Y280-R283 PolarHBondContact O-N 3.03Å; R283-R287 WeakPolarHBondContact O-CB 3.36Å; R283-R287 PolarHBondContact O-N 2.84Å; R283-R287 VanDerWaalsContact O-N 3.07Å
284I87.4Confident86.7Confident23 Ų2380.3 Ų80.312%0.11838%0.377CS..Hα-helixtrans-63-44.6175.6-66.5164.8000110.4Y280 F281 R282 R287 R288 V458 L459 Y462Y280-I284 HydrophobicContact CD1-CD1 3.83Å; Y280-I284 HydrophobicContact CE1-CD1 3.53Å; Y280-I284 HydrophobicContact CE1-CG1 4.32Å; Y280-I284 HydrophobicContact CE2-CG1 4.47Å; Y280-I284 HydrophobicContact CG-CD1 4.45Å; Y280-I284 WeakPolarHBondContact O-CG1 3.41Å; Y280-I284 PolarHBondContact O-N 3.31Å; Y280-I284 VanDerWaalsContact O-N 3.08Å; F281-I284 PolarHBondContact O-N 3Å; R282-I284 VanDerWaalsContact C-N 3.35Å; R282-I284 PolarHBondContact O-N 2.87Å; I284-R287 PolarHBondContact O-N 3.3Å; I284-R288 PolarHBondContact O-N 3.45Å; I284-R288 VanDerWaalsContact O-N 3.08Å; I284-V458 HydrophobicContact CD1-CG1 4.39Å; I284-L459 HydrophobicContact CD1-CD2 3.81Å; I284-L459 HydrophobicContact CD1-CG 4.43Å; I284-Y462 HydrophobicContact CB-CD2 4.45Å; I284-Y462 HydrophobicContact CB-CE2 4.35Å; I284-Y462 HydrophobicContact CG2-CD1 4.1Å; I284-Y462 HydrophobicContact CG2-CD2 4.04Å; I284-Y462 HydrophobicContact CG2-CE1 3.93Å; I284-Y462 HydrophobicContact CG2-CE2 3.85Å; I284-Y462 HydrophobicContact CG2-CG 4.17Å
285D88.9Confident86.7Confident1 Ų184.4 Ų84.41%0.00539%0.394CS..Hα-helixtrans-64.2-45.6-180-160.866.4000112F281 R282 R287 R288 R289 L296 L297 Y462F281-D285 PolarHBondContact O-N 3.24Å; R282-D285 PolarHBondContact O-N 2.88Å; D285-R287 PolarHBondContact O-N 2.99Å; D285-R288 PolarHBondContact O-N 3.25Å; D285-R289 WeakPolarHBondContact O-CB 3.44Å; D285-R289 PolarHBondContact O-N 3.41Å; D285-R289 IonicContact OD2-NH2 2.96Å; D285-R289 PolarHBondContact OD2-NH2 2.9Å; D285-L296 PolarHBondContact OD1-N 2.85Å; D285-L297 HydrophobicContact CB-CD1 3.8Å; D285-L297 WeakPolarHBondContact OD2-CB 3.39Å; D285-L297 PolarHBondContact OD2-N 3.29Å; D285-Y462 HydrophobicContact CB-CE2 4.07Å; D285-Y462 PolarHBondContact OD1-OH 3.45Å; D285-Y462 VanDerWaalsContact OD1-OH 3.11Å
286E88.4Confident86.7Confident85 Ų8582.2 Ų82.240%0.39738%0.381SS..Hα-helixtrans-59.8-44.2176.2-75.1172.7-156.100112.1R282 R288 R289 R290R282-E286 WeakPolarHBondContact O-CG 3.36Å; R282-E286 PolarHBondContact O-N 3.17Å; E286-R288 VanDerWaalsContact C-N 3.33Å; E286-R288 PolarHBondContact O-N 2.95Å; E286-R289 PolarHBondContact O-N 2.9Å; E286-R290 WeakPolarHBondContact O-CG 3.39Å; E286-R290 PolarHBondContact O-N 3.46Å; E286-R290 IonicContact OE2-NH2 2.67Å; E286-R290 PolarHBondContact OE2-NH2 3.46Å
287R90.1Very high86.7Confident199 Ų19983.1 Ų83.175%0.75139%0.387SS*.Hα-helixtrans-62.4-41178-174.6-178.8-76.2177.8-6.3111.4R283 I284 D285 A291R283-R287 WeakPolarHBondContact O-CB 3.36Å; R283-R287 PolarHBondContact O-N 2.84Å; R283-R287 VanDerWaalsContact O-N 3.07Å; I284-R287 PolarHBondContact O-N 3.3Å; D285-R287 PolarHBondContact O-N 2.99Å; R287-A291 WeakPolarHBondContact O-CB 3.48Å; R287-A291 PolarHBondContact O-N 3.45Å
288R89.3Confident86.5Confident75 Ų7587.6 Ų87.628%0.28342%0.417SS..Hα-helixtrans-69.2-37.6176.6-79-169.4168.6-169.34.2112.7I284 D285 E286 A291 G292 K293I284-R288 PolarHBondContact O-N 3.45Å; I284-R288 VanDerWaalsContact O-N 3.08Å; D285-R288 PolarHBondContact O-N 3.25Å; E286-R288 VanDerWaalsContact C-N 3.33Å; E286-R288 PolarHBondContact O-N 2.95Å; R288-A291 CarbonylContact O-C 3.56Å; R288-A291 PolarHBondContact O-N 3.39Å; R288-G292 PolarHBondContact O-N 3.16Å; R288-K293 HydrophobicContact CB-CB 4.2Å; R288-K293 HydrophobicContact CG-CB 4.45Å; R288-K293 PolarHBondContact O-N 2.89Å
289R88Confident86.2Confident113 Ų11388.7 Ų88.743%0.42642%0.422SS..Hα-helixtrans-61.6-45.9174.9-171-177.6-63.5163.25111.6D285 E286 A291 G292 F295 L297D285-R289 WeakPolarHBondContact O-CB 3.44Å; D285-R289 PolarHBondContact O-N 3.41Å; D285-R289 IonicContact OD2-NH2 2.96Å; D285-R289 PolarHBondContact OD2-NH2 2.9Å; E286-R289 PolarHBondContact O-N 2.9Å; R289-A291 VanDerWaalsContact C-N 3.25Å; R289-A291 PolarHBondContact O-N 2.95Å; R289-G292 PolarHBondContact O-N 3.44Å; R289-G292 VanDerWaalsContact O-N 3.14Å; R289-F295 HydrophobicContact CB-CB 4.37Å; R289-F295 HydrophobicContact CB-CG 4.48Å; R289-F295 HydrophobicContact CG-CD1 4.23Å; R289-F295 HydrophobicContact CG-CG 4.44Å; R289-L297 PolarHBondContact NH2-O 2.99Å
290R90.1Very high85.9Confident203 Ų20390.8 Ų90.877%0.76642%0.417SS*.Hα-helixtrans-62.4-32.9175.7-68.4-179.1-143.6170.84.2112.6E286 G292E286-R290 WeakPolarHBondContact O-CG 3.39Å; E286-R290 PolarHBondContact O-N 3.46Å; E286-R290 IonicContact OE2-NH2 2.67Å; E286-R290 PolarHBondContact OE2-NH2 3.46Å; R290-G292 VanDerWaalsContact C-N 3.26Å; R290-G292 PolarHBondContact O-N 3.23Å
291A89.7Confident85.3Confident62 Ų6296.3 Ų96.351%0.51244%0.442SS..THydrogen-bonded Turntrans-83.910177.400000114.1R287 R288 R289 K293R287-A291 WeakPolarHBondContact O-CB 3.48Å; R287-A291 PolarHBondContact O-N 3.45Å; R288-A291 CarbonylContact O-C 3.56Å; R288-A291 PolarHBondContact O-N 3.39Å; R289-A291 VanDerWaalsContact C-N 3.25Å; R289-A291 PolarHBondContact O-N 2.95Å; A291-K293 HydrophobicContact CB-CD 4.49Å; A291-K293 HydrophobicContact CB-CG 4.29Å; A291-K293 PolarHBondContact O-N 3.01Å; A291-K293 VanDerWaalsContact O-N 3.15Å
292G82.4Confident84.5Confident74 Ų74100 Ų10076%0.76347%0.469SS*.THydrogen-bonded Turntrans66.312.9-17900000115.1R288 R289 R290R288-G292 PolarHBondContact O-N 3.16Å; R289-G292 PolarHBondContact O-N 3.44Å; R289-G292 VanDerWaalsContact O-N 3.14Å; R290-G292 VanDerWaalsContact C-N 3.26Å; R290-G292 PolarHBondContact O-N 3.23Å
293K86.3Confident83.9Confident130 Ų13094.8 Ų94.857%0.56545%0.45SS*.  trans-87.1160.1-179.1-61.8-175.1-178.5-176.30110.8R288 A291 F295R288-K293 HydrophobicContact CB-CB 4.2Å; R288-K293 HydrophobicContact CG-CB 4.45Å; R288-K293 PolarHBondContact O-N 2.89Å; A291-K293 HydrophobicContact CB-CD 4.49Å; A291-K293 HydrophobicContact CB-CG 4.29Å; A291-K293 PolarHBondContact O-N 3.01Å; A291-K293 VanDerWaalsContact O-N 3.15Å; K293-F295 PolarHBondContact O-N 3Å
294H82.1Confident83.3Confident133 Ų13395 Ų9562%0.61645%0.45SS*.  trans-54.5130.6173.9-85.130.2000112L466H294-L466 HydrophobicContact CB-CD1 4.22Å
295F83.8Confident82.5Confident99 Ų99100.7 Ų100.743%0.43448%0.475SS..  trans-124.2159.3-175.962.6-93.7000111.4R289 K293 L297R289-F295 HydrophobicContact CB-CB 4.37Å; R289-F295 HydrophobicContact CB-CG 4.48Å; R289-F295 HydrophobicContact CG-CD1 4.23Å; R289-F295 HydrophobicContact CG-CG 4.44Å; K293-F295 PolarHBondContact O-N 3Å; F295-L297 WeakPolarHBondContact CD2-O 3.3Å; F295-L297 WeakPolarHBondContact CE2-O 3.27Å
296L83.4Confident81.7Confident1 Ų1108.2 Ų108.21%0.00550%0.503CS..  trans-105.8-35.1-168.8-85.7153.4000113.7F281 D285 P298 Y462 Q465 L466 R469F281-L296 HydrophobicContact CZ-CD1 4.3Å; D285-L296 PolarHBondContact OD1-N 2.85Å; L296-P298 CarbonylContact O-C 3.57Å; L296-Y462 HydrophobicContact CD1-CD1 4.13Å; L296-Y462 HydrophobicContact CD1-CD2 3.79Å; L296-Y462 HydrophobicContact CD1-CE1 3.91Å; L296-Y462 HydrophobicContact CD1-CE2 3.58Å; L296-Y462 HydrophobicContact CD1-CG 4.05Å; L296-Q465 HydrophobicContact CD1-CB 4.43Å; L296-Q465 HydrophobicContact CD2-CB 4Å; L296-Q465 HydrophobicContact CD2-CG 3.49Å; L296-Q465 VanDerWaalsContact CD2-CG 3.49Å; L296-L466 HydrophobicContact CD1-CB 4.28Å; L296-L466 HydrophobicContact CD1-CD1 4.4Å; L296-L466 HydrophobicContact CG-CD1 4.47Å; L296-R469 HydrophobicContact CD2-CG 4.31Å; L296-R469 VanDerWaalsContact O-CZ 3.24Å; L296-R469 PolarHBondContact O-NH1 2.92Å; L296-R469 PolarHBondContact O-NH2 3.22Å
297L83.4Confident81.2Confident37 Ų37105.4 Ų105.419%0.19449%0.49CS..PPolyproline II helixtrans-88.5137.1178.3-67.1140.2000110.6F281 R282 D285 R289 F295 L299F281-L297 HydrophobicContact CD1-CD1 4.41Å; F281-L297 HydrophobicContact CE1-CD1 4.34Å; R282-L297 HydrophobicContact CG-CD1 4.35Å; D285-L297 HydrophobicContact CB-CD1 3.8Å; D285-L297 WeakPolarHBondContact OD2-CB 3.39Å; D285-L297 PolarHBondContact OD2-N 3.29Å; R289-L297 PolarHBondContact NH2-O 2.99Å; F295-L297 WeakPolarHBondContact CD2-O 3.3Å; F295-L297 WeakPolarHBondContact CE2-O 3.27Å; L297-L299 HydrophobicContact CD2-CG 4.25Å
298P80.7Confident80.7Confident108 Ų10896.7 Ų96.770%0.70146%0.457SS*.SBendcis-76.1147.37.629.7-34.3000114.1L296 R469L296-P298 CarbonylContact O-C 3.57Å; P298-R469 PolarHBondContact O-NH2 3.04Å
299L80Confident80.1Confident48 Ų4894.7 Ų94.725%0.25146%0.457SS..PPolyproline II helixtrans-69.4139.7178.5-65.8162.1000110.9I277 L297 E303 F307I277-L299 HydrophobicContact CD1-CD1 3.56Å; I277-L299 HydrophobicContact CD1-CD2 4.33Å; I277-L299 HydrophobicContact CD1-CG 4.46Å; L297-L299 HydrophobicContact CD2-CG 4.25Å; L299-E303 HydrophobicContact CD2-CB 4.36Å; L299-F307 HydrophobicContact CD2-CD2 3.86Å; L299-F307 HydrophobicContact CD2-CE2 4.14Å
300R79.3Confident79.5Confident126 Ų12691 Ų9148%0.47545%0.448SS..PPolyproline II helixtrans-66.5154.2171.2-69.9-180173.7-179.50110.1S302 E303 R304R300-S302 PolarHBondContact O-N 2.84Å; R300-S302 VanDerWaalsContact O-N 3.09Å; R300-E303 HydrophobicContact CB-CG 4.23Å; R300-E303 PolarHBondContact N-OE2 3.13Å; R300-E303 PolarHBondContact O-N 3.31Å; R300-R304 PolarHBondContact O-N 2.9Å
301K74.1Confident78.6Confident199 Ų19989.6 Ų89.687%0.86545%0.452SS*.Hα-helixtrans-52.2-34.9178.1-69.2-175.5179-178.60113.2
302S70.6Confident78.1Confident82 Ų8288.5 Ų88.557%0.57344%0.441SS*.Hα-helixtrans-76.2-27.5177.252.30000114.3R300R300-S302 PolarHBondContact O-N 2.84Å; R300-S302 VanDerWaalsContact O-N 3.09Å
303E75.2Confident77.6Confident19 Ų1991.6 Ų91.69%0.08944%0.439CS..Hα-helixtrans-84.6-31.9179.2-65.9170.9149.800111.2L299 R300 K305 R306 F307 Q465 R469L299-E303 HydrophobicContact CD2-CB 4.36Å; R300-E303 HydrophobicContact CB-CG 4.23Å; R300-E303 PolarHBondContact N-OE2 3.13Å; R300-E303 PolarHBondContact O-N 3.31Å; E303-K305 PolarHBondContact O-N 2.69Å; E303-K305 VanDerWaalsContact O-N 3.17Å; E303-R306 PolarHBondContact O-N 3.21Å; E303-F307 HydrophobicContact CB-CD2 4.34Å; E303-F307 HydrophobicContact CB-CE2 4.17Å; E303-F307 VanDerWaalsContact O-CD2 3.24Å; E303-F307 WeakPolarHBondContact O-CD2 3.49Å; E303-F307 PolarHBondContact O-N 2.87Å; E303-Q465 PolarHBondContact OE1-NE2 3.37Å; E303-R469 IonicContact OE1-CZ 3.74Å; E303-R469 IonicContact OE1-NE 3.7Å; E303-R469 PolarHBondContact OE1-NE 3.45Å; E303-R469 IonicContact OE1-NH2 3.79Å; E303-R469 IonicContact OE2-CZ 2.7Å; E303-R469 IonicContact OE2-NE 2.66Å; E303-R469 IonicContact OE2-NH2 3.48Å; E303-R469 PolarHBondContact OE2-NH2 3.01Å
304R75.1Confident77.2Confident177 Ų17793 Ų9367%0.66845%0.445SS*.Hα-helixtrans-58.6-29.4179.9-162.4179.6-166.8-143.89113.5R300 R306R300-R304 PolarHBondContact O-N 2.9Å; R304-R306 VanDerWaalsContact C-N 3.29Å
305K71Confident76.8Confident144 Ų14490.4 Ų90.463%0.62644%0.435SS*.THydrogen-bonded Turntrans-73.3-18.8175.7-64.3-174.3177.4-172.90113.4E303 N316E303-K305 PolarHBondContact O-N 2.69Å; E303-K305 VanDerWaalsContact O-N 3.17Å; K305-N316 PolarHBondContact O-ND2 3.34Å; K305-N316 PolarHBondContact O-OD1 2.82Å; K305-N316 VanDerWaalsContact O-OD1 3.06Å
306R72.2Confident76.5Confident158 Ų15886.9 Ų86.960%0.59642%0.421SS*.THydrogen-bonded Turntrans-99.1-8.5-176.9-65-174-163.2-170.40.7113.7V275 E303 R304V275-R306 WeakPolarHBondContact CG1-O 3.36Å; E303-R306 PolarHBondContact O-N 3.21Å; R304-R306 VanDerWaalsContact C-N 3.29Å
307F78.5Confident76.1Confident27 Ų2789.6 Ų89.612%0.11844%0.44CS..  trans-120.6134.4-174.6-68.6-66.7000111.2V275 I277 L299 E303 L461 Q465V275-F307 WeakPolarHBondContact O-CA 3.36Å; I277-F307 HydrophobicContact CD1-CB 3.53Å; I277-F307 HydrophobicContact CD1-CD1 4.48Å; I277-F307 HydrophobicContact CD1-CD2 4.45Å; I277-F307 HydrophobicContact CD1-CG 3.94Å; I277-F307 HydrophobicContact CG1-CB 3.91Å; I277-F307 HydrophobicContact CG1-CD1 4.27Å; I277-F307 HydrophobicContact CG1-CG 4.2Å; L299-F307 HydrophobicContact CD2-CD2 3.86Å; L299-F307 HydrophobicContact CD2-CE2 4.14Å; E303-F307 HydrophobicContact CB-CD2 4.34Å; E303-F307 HydrophobicContact CB-CE2 4.17Å; E303-F307 VanDerWaalsContact O-CD2 3.24Å; E303-F307 WeakPolarHBondContact O-CD2 3.49Å; E303-F307 PolarHBondContact O-N 2.87Å; F307-L461 HydrophobicContact CE1-CD1 4.22Å; F307-L461 HydrophobicContact CE1-CD2 4.31Å; F307-L461 HydrophobicContact CE1-CG 4.42Å; F307-Q465 HydrophobicContact CE2-CG 4.46Å; F307-Q465 HydrophobicContact CZ-CG 4.11Å
308I79.9Confident75.6Confident15 Ų1592.2 Ų92.28%0.07745%0.454CS..BIsolated β-bridgetrans-111.2132.9-174.7-54.8174.1000109V275 Y276 I277 N316 E319V275-I308 HydrophobicContact CG1-CG1 4.47Å; V275-I308 PolarHBondContact O-N 3.34Å; Y276-I308 CarbonylContact C-O 3.53Å; Y276-I308 VanDerWaalsContact CA-O 3.24Å; Y276-I308 WeakPolarHBondContact CA-O 3.26Å; Y276-I308 HydrophobicContact CD1-CB 3.9Å; Y276-I308 HydrophobicContact CD1-CG2 4Å; Y276-I308 HydrophobicContact CE1-CB 3.98Å; Y276-I308 HydrophobicContact CE1-CG2 3.81Å; I277-I308 PolarHBondContact N-O 3.23Å; I308-N316 HydrophobicContact CD1-CB 4.12Å; I308-N316 HydrophobicContact CG1-CB 3.94Å; I308-E319 HydrophobicContact CD1-CG 4.14Å
309A77.3Confident75.6Confident33 Ų3387.7 Ų87.727%0.27342%0.424SS..  trans-88.2122.9170.400000108.7M311 S312A309-M311 VanDerWaalsContact C-N 3.3Å; A309-M311 PolarHBondContact O-N 3.5Å; A309-S312 WeakPolarHBondContact O-CB 3.46Å; A309-S312 PolarHBondContact O-N 2.95Å; A309-S312 VanDerWaalsContact O-N 3.13Å
310P75.6Confident75.6Confident37 Ų3790.3 Ų90.324%0.2444%0.437CS..THydrogen-bonded Turntrans-55-40.2-171.8-26.632000114.6Y276 I277 V444Y276-P310 HydrophobicContact CD1-CG 4.15Å; I277-P310 VanDerWaalsContact O-CD 3.29Å; I277-P310 WeakPolarHBondContact O-CD 3.24Å; P310-V444 HydrophobicContact CB-CG2 4.43Å
311M70.9Confident75.7Confident173 Ų17388.6 Ų88.685%0.85244%0.441SS*.THydrogen-bonded Turntrans-98.910.8-176.2-59.1-57.6-122.900113.8A309A309-M311 VanDerWaalsContact C-N 3.3Å; A309-M311 PolarHBondContact O-N 3.5Å
312S77.4Confident75.9Confident39 Ų3983.6 Ų83.627%0.27342%0.421SS..  trans-85.6128.2-179.6165.50000110.9A309 K314 R440A309-S312 WeakPolarHBondContact O-CB 3.46Å; A309-S312 PolarHBondContact O-N 2.95Å; A309-S312 VanDerWaalsContact O-N 3.13Å; S312-K314 PolarHBondContact O-N 3.28Å; S312-K314 VanDerWaalsContact O-N 3.15Å; S312-K314 PolarHBondContact OG-N 2.77Å; S312-R440 PolarHBondContact O-NH1 3.1Å
313L72.9Confident76.6Confident139 Ų13981.4 Ų81.473%0.72840%0.404SS*.  trans-66.2-14.8175.8-71.8167.3000114.3Y437L313-Y437 HydrophobicContact CD2-CE1 4.14Å; L313-Y437 PolarHBondContact O-OH 3.36Å
314K77.4Confident77Confident158 Ų15883.4 Ų83.469%0.68742%0.423SS*.PPolyproline II helixtrans-70.4129.3179.6-59.8-174.3179.4-175.90111.6S312 R440S312-K314 PolarHBondContact O-N 3.28Å; S312-K314 VanDerWaalsContact O-N 3.15Å; S312-K314 PolarHBondContact OG-N 2.77Å; K314-R440 PolarHBondContact O-NH2 2.91Å
315I73.7Confident77.5Confident79 Ų7978.7 Ų78.741%0.40542%0.418SS..PPolyproline II helixtrans-80.5131.4175.2-60.9173.2000109E319 L320I315-E319 HydrophobicContact CG2-CB 4Å; I315-L320 HydrophobicContact CG2-CB 4.47Å; I315-L320 HydrophobicContact CG2-CD1 4.36Å
316N78.3Confident78.2Confident25 Ų2572 Ų7213%0.13439%0.39CS..PPolyproline II helixtrans-85.3159.3177-165.427.6000111.7K305 I308 D318 E319 L320K305-N316 PolarHBondContact O-ND2 3.34Å; K305-N316 PolarHBondContact O-OD1 2.82Å; K305-N316 VanDerWaalsContact O-OD1 3.06Å; I308-N316 HydrophobicContact CD1-CB 4.12Å; I308-N316 HydrophobicContact CG1-CB 3.94Å; N316-D318 PolarHBondContact O-N 3.39Å; N316-E319 HydrophobicContact CB-CG 4.41Å; N316-E319 PolarHBondContact N-OE2 2.82Å; N316-E319 PolarHBondContact O-N 3.4Å; N316-L320 PolarHBondContact O-N 3.46Å
317S74.1Confident78.9Confident59 Ų5966.2 Ų66.241%0.41338%0.379SS..Hα-helixtrans-58.4-33.7179.954.20000113.3E319 L320S317-E319 VanDerWaalsContact C-N 3.33Å; S317-L320 WeakPolarHBondContact O-CB 3.26Å; S317-L320 PolarHBondContact O-N 2.9Å
318D73.1Confident79.4Confident92 Ų9272 Ų7249%0.49240%0.404SS..Hα-helixtrans-77.9-19.8-179.8-60-15.2000112.5N316 T321N316-D318 PolarHBondContact O-N 3.39Å; D318-T321 PolarHBondContact O-OG1 3.05Å
319E81.1Confident79.8Confident13 Ų1375.4 Ų75.46%0.06142%0.42CS..Hα-helixtrans-88.1-27.2172.7-64.5168.7146.900111I308 I315 N316 S317 T321 Q322 V323 V436 R440I308-E319 HydrophobicContact CD1-CG 4.14Å; I315-E319 HydrophobicContact CG2-CB 4Å; N316-E319 HydrophobicContact CB-CG 4.41Å; N316-E319 PolarHBondContact N-OE2 2.82Å; N316-E319 PolarHBondContact O-N 3.4Å; S317-E319 VanDerWaalsContact C-N 3.33Å; E319-T321 PolarHBondContact O-N 3.49Å; E319-Q322 WeakPolarHBondContact O-CB 3.15Å; E319-Q322 PolarHBondContact O-N 2.91Å; E319-Q322 VanDerWaalsContact O-N 3.09Å; E319-V323 PolarHBondContact O-N 3.37Å; E319-V323 VanDerWaalsContact O-N 3.08Å; E319-V436 HydrophobicContact CB-CG1 4.16Å; E319-V436 HydrophobicContact CG-CG1 4.36Å; E319-R440 VanDerWaalsContact CD-NH2 3.26Å; E319-R440 IonicContact OE1-CZ 3.45Å; E319-R440 VanDerWaalsContact OE1-CZ 3.27Å; E319-R440 IonicContact OE1-NE 3.09Å; E319-R440 PolarHBondContact OE1-NE 3.48Å; E319-R440 IonicContact OE1-NH2 3.27Å; E319-R440 PolarHBondContact OE1-NH2 3.34Å; E319-R440 VanDerWaalsContact OE1-NH2 3.09Å; E319-R440 IonicContact OE2-CZ 3.27Å; E319-R440 IonicContact OE2-NE 2.64Å; E319-R440 IonicContact OE2-NH2 3.56Å; E319-R440 PolarHBondContact OE2-NH2 3.16Å
320L80.7Confident80.4Confident102 Ų10275 Ų7553%0.53441%0.414SS..Hα-helixtrans-61.6-31.3175.6-164.174.5000111.8I315 N316 S317 Q322 V323 A324I315-L320 HydrophobicContact CG2-CB 4.47Å; I315-L320 HydrophobicContact CG2-CD1 4.36Å; N316-L320 PolarHBondContact O-N 3.46Å; S317-L320 WeakPolarHBondContact O-CB 3.26Å; S317-L320 PolarHBondContact O-N 2.9Å; L320-Q322 VanDerWaalsContact C-N 3.33Å; L320-V323 PolarHBondContact O-N 2.96Å; L320-A324 WeakPolarHBondContact O-CB 3.34Å; L320-A324 PolarHBondContact O-N 2.85Å
321T80.6Confident81.1Confident91 Ų9177.9 Ų77.956%0.55843%0.427SS*.Hα-helixtrans-66.6-34.5174.757.80000112.3D318 E319 A324 S325D318-T321 PolarHBondContact O-OG1 3.05Å; E319-T321 PolarHBondContact O-N 3.49Å; T321-A324 PolarHBondContact O-N 3.27Å; T321-S325 PolarHBondContact O-N 3.2Å
322Q78.9Confident82.1Confident94 Ų9471.9 Ų71.944%0.43941%0.405SS..Hα-helixtrans-69.8-42.9173.8-65-178-2.100111.2E319 L320 A324 S325 G326 N439E319-Q322 WeakPolarHBondContact O-CB 3.15Å; E319-Q322 PolarHBondContact O-N 2.91Å; E319-Q322 VanDerWaalsContact O-N 3.09Å; L320-Q322 VanDerWaalsContact C-N 3.33Å; Q322-A324 VanDerWaalsContact C-N 3.33Å; Q322-S325 PolarHBondContact O-N 3.09Å; Q322-G326 PolarHBondContact O-N 2.93Å; Q322-N439 PolarHBondContact OE1-ND2 2.04Å
323V84.2Confident82.7Confident35 Ų3571.2 Ų71.221%0.21240%0.398CS..Hα-helixtrans-63.5-40.2173.8179.20000111.1E319 L320 G326 G327 V436E319-V323 PolarHBondContact O-N 3.37Å; E319-V323 VanDerWaalsContact O-N 3.08Å; L320-V323 PolarHBondContact O-N 2.96Å; V323-G326 PolarHBondContact O-N 2.99Å; V323-G327 PolarHBondContact O-N 3.39Å; V323-V436 HydrophobicContact CG2-CG2 3.21Å
324A85.1Confident83.5Confident61 Ų6166.5 Ų66.550%0.50438%0.377SS..Hα-helixtrans-65-39.8178.100000111.8L320 T321 Q322 G327 F328L320-A324 WeakPolarHBondContact O-CB 3.34Å; L320-A324 PolarHBondContact O-N 2.85Å; T321-A324 PolarHBondContact O-N 3.27Å; Q322-A324 VanDerWaalsContact C-N 3.33Å; A324-G327 PolarHBondContact O-N 2.88Å; A324-F328 WeakPolarHBondContact O-CB 3.34Å; A324-F328 PolarHBondContact O-N 3.08Å
325S84.8Confident84.2Confident79 Ų7964.2 Ų64.255%0.55237%0.371SS*.Hα-helixtrans-62.4-47.3173-176.80000111.7T321 Q322 G327 F328 Q329T321-S325 PolarHBondContact O-N 3.2Å; Q322-S325 PolarHBondContact O-N 3.09Å; S325-G327 VanDerWaalsContact C-N 3.34Å; S325-G327 PolarHBondContact O-N 3.28Å; S325-F328 PolarHBondContact O-N 3.41Å; S325-Q329 PolarHBondContact O-N 3Å; S325-Q329 VanDerWaalsContact O-N 3.1Å
326G85.9Confident85.1Confident4 Ų464.6 Ų64.64%0.04137%0.374CS..Hα-helixtrans-62.5-39.7174.200000112.8Q322 V323 Q329 V330Q322-G326 PolarHBondContact O-N 2.93Å; V323-G326 PolarHBondContact O-N 2.99Å; G326-Q329 WeakPolarHBondContact O-CB 3.38Å; G326-Q329 PolarHBondContact O-N 3.08Å; G326-V330 VanDerWaalsContact O-CG2 3.31Å; G326-V330 WeakPolarHBondContact O-CG2 3.37Å; G326-V330 PolarHBondContact O-N 3.34Å
327G87.8Confident85.7Confident35 Ų3563.7 Ų63.736%0.36137%0.37SS..Hα-helixtrans-64.3-40.2176.600000112.7V323 A324 S325 Q329 V330 L331V323-G327 PolarHBondContact O-N 3.39Å; A324-G327 PolarHBondContact O-N 2.88Å; S325-G327 VanDerWaalsContact C-N 3.34Å; S325-G327 PolarHBondContact O-N 3.28Å; G327-Q329 VanDerWaalsContact C-N 3.32Å; G327-Q329 PolarHBondContact O-N 2.87Å; G327-V330 PolarHBondContact O-N 3.49Å; G327-L331 WeakPolarHBondContact O-CB 3.24Å; G327-L331 PolarHBondContact O-N 3.23Å
328F88.6Confident86.6Confident150 Ų15065.2 Ų65.266%0.65838%0.376SS*.Hα-helixtrans-62.2-41.3172.6-178.5-98.1000111.5A324 S325 L331 A332A324-F328 WeakPolarHBondContact O-CB 3.34Å; A324-F328 PolarHBondContact O-N 3.08Å; S325-F328 PolarHBondContact O-N 3.41Å; F328-L331 PolarHBondContact O-N 2.87Å; F328-A332 WeakPolarHBondContact O-CB 3.36Å; F328-A332 PolarHBondContact O-N 3.41Å
329Q87.1Confident87.6Confident86 Ų8665.6 Ų65.640%0.40238%0.378SS..Hα-helixtrans-64.6-43.5176.5-173.6172.51500112.3M1 S325 G326 G327 A332 I333M1-Q329 HydrophobicContact CE-CG 4.44Å; M1-Q329 VanDerWaalsContact CG-NE2 3.31Å; M1-Q329 HydrophobicContact SD-CG 4.16Å; M1-Q329 PolarHBondContact SD-NE2 2.97Å; S325-Q329 PolarHBondContact O-N 3Å; S325-Q329 VanDerWaalsContact O-N 3.1Å; G326-Q329 WeakPolarHBondContact O-CB 3.38Å; G326-Q329 PolarHBondContact O-N 3.08Å; G327-Q329 VanDerWaalsContact C-N 3.32Å; G327-Q329 PolarHBondContact O-N 2.87Å; Q329-A332 PolarHBondContact O-N 2.92Å; Q329-I333 HydrophobicContact CG-CD1 4Å; Q329-I333 VanDerWaalsContact O-CD1 3.3Å; Q329-I333 WeakPolarHBondContact O-CD1 3.34Å; Q329-I333 VanDerWaalsContact O-CG1 3.24Å; Q329-I333 WeakPolarHBondContact O-CG1 3.23Å; Q329-I333 PolarHBondContact O-N 3.22Å; Q329-I333 VanDerWaalsContact O-N 3.11Å
330V90.8Very high88.2Confident23 Ų2366.3 Ų66.314%0.13938%0.381CS..Hα-helixtrans-61.2-45.1174.1171.70000110.8G326 G327 I333 S334 V428 A429G326-V330 VanDerWaalsContact O-CG2 3.31Å; G326-V330 WeakPolarHBondContact O-CG2 3.37Å; G326-V330 PolarHBondContact O-N 3.34Å; G327-V330 PolarHBondContact O-N 3.49Å; V330-I333 PolarHBondContact O-N 2.9Å; V330-S334 VanDerWaalsContact O-CB 3.3Å; V330-S334 WeakPolarHBondContact O-CB 3.41Å; V330-S334 PolarHBondContact O-N 2.89Å; V330-V428 HydrophobicContact CG2-CG1 3.95Å; V330-A429 HydrophobicContact CG1-CB 3.97Å; V330-A429 HydrophobicContact CG2-CB 4.46Å
331L91Very high88.8Confident98 Ų9862.6 Ų62.651%0.51336%0.362SS..Hα-helixtrans-60-47.6177.9-179.168.1000111.4G327 F328 I333 S334 L335G327-L331 WeakPolarHBondContact O-CB 3.24Å; G327-L331 PolarHBondContact O-N 3.23Å; F328-L331 PolarHBondContact O-N 2.87Å; L331-I333 VanDerWaalsContact C-N 3.32Å; L331-I333 PolarHBondContact O-N 3Å; L331-S334 PolarHBondContact O-N 2.9Å; L331-L335 HydrophobicContact CD1-CD1 4.35Å; L331-L335 HydrophobicContact CG-CD1 4.04Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 3.47Å
332A90.4Very high89.3Confident48 Ų4860.7 Ų60.740%0.39736%0.356SS..Hα-helixtrans-59.8-42.417900000112.1F328 Q329 L335 L336F328-A332 WeakPolarHBondContact O-CB 3.36Å; F328-A332 PolarHBondContact O-N 3.41Å; Q329-A332 PolarHBondContact O-N 2.92Å; A332-L335 PolarHBondContact O-N 3.08Å; A332-L336 WeakPolarHBondContact O-CB 3.44Å; A332-L336 PolarHBondContact O-N 2.91Å
333I89.8Confident90Very high24 Ų2459 Ų5912%0.12335%0.349CS..Hα-helixtrans-71.5-39.3179-67.6163.3000111.5M1 I4 Q329 V330 L331 L335 L336 S337M1-I333 HydrophobicContact CE-CD1 3.27Å; M1-I333 HydrophobicContact SD-CD1 3.26Å; M1-I333 WeakPolarHBondContact SD-CD1 3.31Å; M1-I333 HydrophobicContact SD-CG1 4.39Å; I4-I333 HydrophobicContact CD1-CD1 4.13Å; I4-I333 HydrophobicContact CD1-CG2 3.96Å; I4-I333 HydrophobicContact CG2-CG2 3.72Å; Q329-I333 HydrophobicContact CG-CD1 4Å; Q329-I333 VanDerWaalsContact O-CD1 3.3Å; Q329-I333 WeakPolarHBondContact O-CD1 3.34Å; Q329-I333 VanDerWaalsContact O-CG1 3.24Å; Q329-I333 WeakPolarHBondContact O-CG1 3.23Å; Q329-I333 PolarHBondContact O-N 3.22Å; Q329-I333 VanDerWaalsContact O-N 3.11Å; V330-I333 PolarHBondContact O-N 2.9Å; L331-I333 VanDerWaalsContact C-N 3.32Å; L331-I333 PolarHBondContact O-N 3Å; I333-L335 VanDerWaalsContact C-N 3.33Å; I333-L336 PolarHBondContact O-N 3.08Å; I333-S337 WeakPolarHBondContact O-CB 3.28Å; I333-S337 PolarHBondContact O-N 3.43Å; I333-S337 PolarHBondContact O-OG 3.12Å
334S90.7Very high90.5Very high41 Ų4157.4 Ų57.429%0.28734%0.34SS..Hα-helixtrans-60.5-46.3174.9-173.30000110.4V330 L331 S337 V338V330-S334 VanDerWaalsContact O-CB 3.3Å; V330-S334 WeakPolarHBondContact O-CB 3.41Å; V330-S334 PolarHBondContact O-N 2.89Å; L331-S334 PolarHBondContact O-N 2.9Å; S334-S337 PolarHBondContact O-N 3.36Å; S334-V338 WeakPolarHBondContact O-CB 3.43Å; S334-V338 VanDerWaalsContact O-CG2 3.29Å; S334-V338 WeakPolarHBondContact O-CG2 3.29Å; S334-V338 PolarHBondContact O-N 3.21Å
335L92.8Very high90.8Very high109 Ų10959.8 Ų59.857%0.57134%0.339SS*.Hα-helixtrans-60.1-46.4176.1-76.2165.4000111.6L331 A332 I333 S337 V338 L339L331-L335 HydrophobicContact CD1-CD1 4.35Å; L331-L335 HydrophobicContact CG-CD1 4.04Å; L331-L335 WeakPolarHBondContact O-CB 3.41Å; L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 3.47Å; A332-L335 PolarHBondContact O-N 3.08Å; I333-L335 VanDerWaalsContact C-N 3.33Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.71Å; L335-V338 PolarHBondContact O-N 3.1Å; L335-L339 VanDerWaalsContact O-CB 3.31Å; L335-L339 WeakPolarHBondContact O-CB 3.49Å; L335-L339 PolarHBondContact O-N 3.45Å
336L91.3Very high91.1Very high88 Ų8858.4 Ų58.446%0.46133%0.329SS..Hα-helixtrans-60.8-43176.3-18064.8000112L8 A332 I333 L339 L340L8-L336 HydrophobicContact CD1-CD2 4.26Å; A332-L336 WeakPolarHBondContact O-CB 3.44Å; A332-L336 PolarHBondContact O-N 2.91Å; I333-L336 PolarHBondContact O-N 3.08Å; L336-L339 PolarHBondContact O-N 3.28Å; L336-L340 HydrophobicContact CD1-CD1 4.27Å; L336-L340 HydrophobicContact CD1-CG 4.35Å; L336-L340 HydrophobicContact CG-CD1 4.18Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 3.26Å
337S91.8Very high91.4Very high6 Ų661 Ų614%0.04234%0.342CS..Hα-helixtrans-65.8-45.3-179.6-54.80000111.1I333 S334 L335 L339 L340 L341I333-S337 WeakPolarHBondContact O-CB 3.28Å; I333-S337 PolarHBondContact O-N 3.43Å; I333-S337 PolarHBondContact O-OG 3.12Å; S334-S337 PolarHBondContact O-N 3.36Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.71Å; S337-L339 VanDerWaalsContact C-N 3.34Å; S337-L339 PolarHBondContact O-N 2.93Å; S337-L340 PolarHBondContact O-N 3.12Å; S337-L341 WeakPolarHBondContact O-CB 3.43Å; S337-L341 VanDerWaalsContact O-CG 3.22Å; S337-L341 WeakPolarHBondContact O-CG 3.48Å; S337-L341 PolarHBondContact O-N 2.74Å
338V92.7Very high91.6Very high91 Ų9160 Ų6055%0.55233%0.328SS*.Hα-helixtrans-61.8-43.3175.5170.90000110.7S334 L335 L341 A342S334-V338 WeakPolarHBondContact O-CB 3.43Å; S334-V338 VanDerWaalsContact O-CG2 3.29Å; S334-V338 WeakPolarHBondContact O-CG2 3.29Å; S334-V338 PolarHBondContact O-N 3.21Å; L335-V338 PolarHBondContact O-N 3.1Å; V338-L341 PolarHBondContact O-N 2.91Å; V338-A342 VanDerWaalsContact O-CB 3.24Å; V338-A342 WeakPolarHBondContact O-CB 3.42Å; V338-A342 PolarHBondContact O-N 3.39Å
339L94.1Very high91.7Very high100 Ų10056.4 Ų56.452%0.52431%0.313SS..Hα-helixtrans-60-49.9177.317965.3000111.6L335 L336 S337 L341 A342 I343L335-L339 VanDerWaalsContact O-CB 3.31Å; L335-L339 WeakPolarHBondContact O-CB 3.49Å; L335-L339 PolarHBondContact O-N 3.45Å; L336-L339 PolarHBondContact O-N 3.28Å; S337-L339 VanDerWaalsContact C-N 3.34Å; S337-L339 PolarHBondContact O-N 2.93Å; L339-L341 PolarHBondContact O-N 3.47Å; L339-A342 PolarHBondContact O-N 3.21Å; L339-I343 HydrophobicContact CD1-CD1 4.04Å; L339-I343 HydrophobicContact CD1-CG1 4.38Å; L339-I343 HydrophobicContact CG-CD1 3.93Å; L339-I343 VanDerWaalsContact O-CG1 3.26Å; L339-I343 WeakPolarHBondContact O-CG1 3.5Å; L339-I343 PolarHBondContact O-N 3.45Å
340L92.9Very high91.9Very high27 Ų2756.6 Ų56.614%0.14132%0.315CS..Hα-helixtrans-63.4-41.7179.8-71.4173.4000112.2L8 P12 I13 L336 S337 A342 I343 D344L8-L340 HydrophobicContact CB-CD1 4.29Å; L8-L340 HydrophobicContact CD1-CD1 4.2Å; L8-L340 HydrophobicContact CD2-CD1 4.16Å; L8-L340 HydrophobicContact CG-CD1 4.45Å; P12-L340 HydrophobicContact CB-CB 4.37Å; P12-L340 HydrophobicContact CG-CB 4.23Å; I13-L340 HydrophobicContact CD1-CD1 4.14Å; I13-L340 HydrophobicContact CG1-CD1 4.24Å; I13-L340 HydrophobicContact CG1-CD2 4.36Å; L336-L340 HydrophobicContact CD1-CD1 4.27Å; L336-L340 HydrophobicContact CD1-CG 4.35Å; L336-L340 HydrophobicContact CG-CD1 4.18Å; L336-L340 WeakPolarHBondContact O-CG 3.39Å; L336-L340 PolarHBondContact O-N 3.26Å; S337-L340 PolarHBondContact O-N 3.12Å; L340-A342 VanDerWaalsContact C-N 3.35Å; L340-I343 PolarHBondContact O-N 3.06Å; L340-D344 WeakPolarHBondContact O-CB 3.13Å; L340-D344 PolarHBondContact O-N 3.14Å
341L92.9Very high91.9Very high24 Ų2457.1 Ų57.113%0.12632%0.317CS..Hα-helixtrans-66.2-37.1176.1-68.5171.8000112.1P12 S337 V338 L339 F345 L413 Y418 C421P12-L341 HydrophobicContact CB-CD2 4.15Å; P12-L341 HydrophobicContact CG-CD2 4.2Å; S337-L341 WeakPolarHBondContact O-CB 3.43Å; S337-L341 VanDerWaalsContact O-CG 3.22Å; S337-L341 WeakPolarHBondContact O-CG 3.48Å; S337-L341 PolarHBondContact O-N 2.74Å; V338-L341 PolarHBondContact O-N 2.91Å; L339-L341 PolarHBondContact O-N 3.47Å; L341-F345 VanDerWaalsContact O-CB 3.23Å; L341-F345 WeakPolarHBondContact O-CB 3.29Å; L341-F345 PolarHBondContact O-N 3.26Å; L341-L413 HydrophobicContact CD2-CD2 3.7Å; L341-Y418 HydrophobicContact CB-CE1 4.36Å; L341-Y418 HydrophobicContact CD1-CD1 4.2Å; L341-Y418 HydrophobicContact CD1-CE1 4.47Å; L341-Y418 HydrophobicContact CD2-CD1 3.82Å; L341-Y418 HydrophobicContact CD2-CE1 3.7Å; L341-Y418 HydrophobicContact CG-CE1 4.39Å; L341-C421 HydrophobicContact CD1-CB 4.34Å
342A92.8Very high91.8Very high52 Ų5253.8 Ų53.843%0.4330%0.3SS..Hα-helixtrans-67.4-38.717600000111.9V338 L339 L340 S346V338-A342 VanDerWaalsContact O-CB 3.24Å; V338-A342 WeakPolarHBondContact O-CB 3.42Å; V338-A342 PolarHBondContact O-N 3.39Å; L339-A342 PolarHBondContact O-N 3.21Å; L340-A342 VanDerWaalsContact C-N 3.35Å; A342-S346 WeakPolarHBondContact O-CB 3.41Å; A342-S346 PolarHBondContact O-N 3.44Å; A342-S346 PolarHBondContact O-OG 3.31Å
343I93.2Very high91.7Very high59 Ų5955.6 Ų55.630%0.30330%0.302SS..Hα-helixtrans-67.2-45.5174.8-64.5164.6000110.6M16 L339 L340 F345 S346 L347M16-I343 HydrophobicContact CE-CB 4.26Å; M16-I343 HydrophobicContact CE-CG2 3.38Å; M16-I343 HydrophobicContact SD-CB 4.4Å; M16-I343 HydrophobicContact SD-CG2 4.06Å; L339-I343 HydrophobicContact CD1-CD1 4.04Å; L339-I343 HydrophobicContact CD1-CG1 4.38Å; L339-I343 HydrophobicContact CG-CD1 3.93Å; L339-I343 VanDerWaalsContact O-CG1 3.26Å; L339-I343 WeakPolarHBondContact O-CG1 3.5Å; L339-I343 PolarHBondContact O-N 3.45Å; L340-I343 PolarHBondContact O-N 3.06Å; I343-F345 VanDerWaalsContact C-N 3.33Å; I343-F345 PolarHBondContact O-N 3.48Å; I343-S346 PolarHBondContact O-N 2.96Å; I343-S346 PolarHBondContact O-OG 3.02Å; I343-L347 HydrophobicContact CG2-CD1 3.81Å; I343-L347 HydrophobicContact CG2-CG 4.18Å; I343-L347 VanDerWaalsContact O-CB 3.3Å; I343-L347 WeakPolarHBondContact O-CB 3.15Å; I343-L347 VanDerWaalsContact O-CG 3.28Å; I343-L347 WeakPolarHBondContact O-CG 3.32Å; I343-L347 PolarHBondContact O-N 3.27Å
344D93.3Very high91.5Very high1 Ų158.3 Ų58.31%0.00532%0.316CS..Hα-helixtrans-60.9-44177.1-179.677.4000111.6P12 N15 M16 L340 L347 F348 L413P12-D344 HydrophobicContact CB-CB 4.24Å; N15-D344 PolarHBondContact ND2-OD1 3.24Å; N15-D344 PolarHBondContact ND2-OD2 2.99Å; M16-D344 HydrophobicContact CG-CB 3.78Å; M16-D344 WeakPolarHBondContact CG-OD1 3.43Å; M16-D344 HydrophobicContact SD-CB 4.18Å; L340-D344 WeakPolarHBondContact O-CB 3.13Å; L340-D344 PolarHBondContact O-N 3.14Å; D344-L347 PolarHBondContact O-N 2.8Å; D344-F348 WeakPolarHBondContact O-CB 3.31Å; D344-F348 PolarHBondContact O-N 2.67Å; D344-L413 WeakPolarHBondContact OD2-CB 3.37Å
345F91.6Very high91.2Very high111 Ų11157.9 Ų57.949%0.48731%0.313SS..Hα-helixtrans-62.4-44.6175.9179.5-98.1000112.6L341 I343 F348 H349L341-F345 VanDerWaalsContact O-CB 3.23Å; L341-F345 WeakPolarHBondContact O-CB 3.29Å; L341-F345 PolarHBondContact O-N 3.26Å; I343-F345 VanDerWaalsContact C-N 3.33Å; I343-F345 PolarHBondContact O-N 3.48Å; F345-F348 PolarHBondContact O-N 3.25Å; F345-H349 AromaticContact CD1-CD2 3.85Å; F345-H349 AromaticContact CD2-CD2 3.93Å; F345-H349 AromaticContact CE1-CD2 3.41Å; F345-H349 VanDerWaalsContact CE1-CD2 3.41Å; F345-H349 WeakPolarHBondContact CE1-CD2 3.42Å; F345-H349 AromaticContact CE1-NE2 3.72Å; F345-H349 AromaticContact CE2-CD2 3.51Å; F345-H349 AromaticContact CE2-NE2 3.27Å; F345-H349 VanDerWaalsContact CE2-NE2 3.27Å; F345-H349 WeakPolarHBondContact CE2-NE2 3.34Å; F345-H349 AromaticContact CZ-CD2 3.24Å; F345-H349 WeakPolarHBondContact CZ-CD2 3.28Å; F345-H349 AromaticContact CZ-NE2 3.04Å; F345-H349 WeakPolarHBondContact CZ-NE2 3.24Å; F345-H349 PolarHBondContact O-CD2 3.35Å; F345-H349 PolarHBondContact O-N 2.96Å
346S91.9Very high90.7Very high50 Ų5060 Ų6035%0.3531%0.313SS..Hα-helixtrans-68-42.3178.969.20000111.8A342 I343 F348 H349 I350A342-S346 WeakPolarHBondContact O-CB 3.41Å; A342-S346 PolarHBondContact O-N 3.44Å; A342-S346 PolarHBondContact O-OG 3.31Å; I343-S346 PolarHBondContact O-N 2.96Å; I343-S346 PolarHBondContact O-OG 3.02Å; S346-F348 PolarHBondContact O-N 3.44Å; S346-H349 PolarHBondContact O-N 2.73Å; S346-I350 WeakPolarHBondContact O-CB 3.36Å; S346-I350 VanDerWaalsContact O-CG1 3.28Å; S346-I350 WeakPolarHBondContact O-CG1 3.44Å; S346-I350 PolarHBondContact O-N 3.1Å
347L92.2Very high90.2Very high59 Ų5963.1 Ų63.131%0.30933%0.325SS..Hα-helixtrans-59.3-46.3174.1-77.1174000111.3M16 I343 D344 H349 I350 L351M16-L347 HydrophobicContact CB-CD1 4.33Å; M16-L347 HydrophobicContact CE-CD1 3.81Å; M16-L347 HydrophobicContact CG-CD1 3.99Å; I343-L347 HydrophobicContact CG2-CD1 3.81Å; I343-L347 HydrophobicContact CG2-CG 4.18Å; I343-L347 VanDerWaalsContact O-CB 3.3Å; I343-L347 WeakPolarHBondContact O-CB 3.15Å; I343-L347 VanDerWaalsContact O-CG 3.28Å; I343-L347 WeakPolarHBondContact O-CG 3.32Å; I343-L347 PolarHBondContact O-N 3.27Å; D344-L347 PolarHBondContact O-N 2.8Å; L347-H349 VanDerWaalsContact C-N 3.34Å; L347-H349 PolarHBondContact O-N 3.49Å; L347-I350 PolarHBondContact O-N 3.01Å; L347-L351 WeakPolarHBondContact O-CB 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.4Å; L347-L351 PolarHBondContact O-N 3.31Å
348F92.1Very high89.5Confident14 Ų1465.5 Ų65.56%0.06134%0.339CS..Hα-helixtrans-55.8-49.6175171.9-95000111.2D344 F345 S346 L351 D352 P410 R412D344-F348 WeakPolarHBondContact O-CB 3.31Å; D344-F348 PolarHBondContact O-N 2.67Å; F345-F348 PolarHBondContact O-N 3.25Å; S346-F348 PolarHBondContact O-N 3.44Å; F348-L351 PolarHBondContact O-N 2.91Å; F348-D352 HydrophobicContact CE1-CB 4.29Å; F348-D352 HydrophobicContact CZ-CB 4.1Å; F348-D352 WeakPolarHBondContact O-CB 3.33Å; F348-D352 PolarHBondContact O-N 3.27Å; F348-P410 HydrophobicContact CD2-CB 3.82Å; F348-P410 HydrophobicContact CD2-CG 4.22Å; F348-P410 HydrophobicContact CE2-CB 3.76Å; F348-P410 HydrophobicContact CE2-CG 3.68Å; F348-P410 HydrophobicContact CZ-CG 4.34Å; F348-R412 HydrophobicContact CD1-CG 4.34Å; F348-R412 HydrophobicContact CD2-CB 4.48Å; F348-R412 HydrophobicContact CD2-CG 3.66Å; F348-R412 HydrophobicContact CE1-CG 3.91Å; F348-R412 HydrophobicContact CE2-CB 4.29Å; F348-R412 HydrophobicContact CE2-CG 3.16Å; F348-R412 HydrophobicContact CG-CG 4.26Å; F348-R412 HydrophobicContact CZ-CG 3.35Å
349H91.5Very high88.8Confident74 Ų7465.5 Ų65.534%0.34333%0.332SS..Hα-helixtrans-64.7-42-179.4-91.8-70.9000113.4F345 S346 L347 D352 I353F345-H349 AromaticContact CD1-CD2 3.85Å; F345-H349 AromaticContact CD2-CD2 3.93Å; F345-H349 AromaticContact CE1-CD2 3.41Å; F345-H349 VanDerWaalsContact CE1-CD2 3.41Å; F345-H349 WeakPolarHBondContact CE1-CD2 3.42Å; F345-H349 AromaticContact CE1-NE2 3.72Å; F345-H349 AromaticContact CE2-CD2 3.51Å; F345-H349 AromaticContact CE2-NE2 3.27Å; F345-H349 VanDerWaalsContact CE2-NE2 3.27Å; F345-H349 WeakPolarHBondContact CE2-NE2 3.34Å; F345-H349 AromaticContact CZ-CD2 3.24Å; F345-H349 WeakPolarHBondContact CZ-CD2 3.28Å; F345-H349 AromaticContact CZ-NE2 3.04Å; F345-H349 WeakPolarHBondContact CZ-NE2 3.24Å; F345-H349 PolarHBondContact O-CD2 3.35Å; F345-H349 PolarHBondContact O-N 2.96Å; S346-H349 PolarHBondContact O-N 2.73Å; L347-H349 VanDerWaalsContact C-N 3.34Å; L347-H349 PolarHBondContact O-N 3.49Å; H349-D352 PolarHBondContact O-N 2.87Å; H349-I353 WeakPolarHBondContact O-CD1 3.48Å; H349-I353 VanDerWaalsContact O-CG1 3.23Å; H349-I353 WeakPolarHBondContact O-CG1 3.48Å; H349-I353 PolarHBondContact O-N 3.48Å
350I90.7Very high87.9Confident90 Ų9063.4 Ų63.446%0.46232%0.324SS..Hα-helixtrans-62.6-47.5176.9-70.6167000109.7S346 L347 D352 I353 I354S346-I350 WeakPolarHBondContact O-CB 3.36Å; S346-I350 VanDerWaalsContact O-CG1 3.28Å; S346-I350 WeakPolarHBondContact O-CG1 3.44Å; S346-I350 PolarHBondContact O-N 3.1Å; L347-I350 PolarHBondContact O-N 3.01Å; I350-D352 VanDerWaalsContact C-N 3.31Å; I350-D352 PolarHBondContact O-N 3.39Å; I350-I353 PolarHBondContact O-N 3.17Å; I350-I354 HydrophobicContact CG2-CD1 3.63Å; I350-I354 HydrophobicContact CG2-CG1 4.35Å; I350-I354 WeakPolarHBondContact O-CB 3.3Å; I350-I354 VanDerWaalsContact O-CG1 3.24Å; I350-I354 WeakPolarHBondContact O-CG1 3.45Å; I350-I354 PolarHBondContact O-N 3.36Å
351L89.7Confident87.2Confident33 Ų3367.1 Ų67.117%0.17334%0.34CS..Hα-helixtrans-66-33.9179.1-68.8174.3000112.6N19 A23 L347 F348 I354 S355 P410N19-L351 HydrophobicContact CB-CD1 3.71Å; A23-L351 HydrophobicContact CB-CD1 4.36Å; A23-L351 HydrophobicContact CB-CD2 3.52Å; L347-L351 WeakPolarHBondContact O-CB 3.47Å; L347-L351 VanDerWaalsContact O-CG 3.26Å; L347-L351 WeakPolarHBondContact O-CG 3.4Å; L347-L351 PolarHBondContact O-N 3.31Å; F348-L351 PolarHBondContact O-N 2.91Å; L351-I354 PolarHBondContact O-N 3.12Å; L351-S355 WeakPolarHBondContact O-CB 3.48Å; L351-S355 PolarHBondContact O-N 3.14Å; L351-P410 HydrophobicContact CB-CB 3.94Å; L351-P410 HydrophobicContact CB-CG 4.5Å
352D90.1Very high86.2Confident28 Ų2870 Ų7015%0.1535%0.352CS..Hα-helixtrans-70.1-36.6175.3-176.861.7000112.4F348 H349 I350 R356 P410F348-D352 HydrophobicContact CE1-CB 4.29Å; F348-D352 HydrophobicContact CZ-CB 4.1Å; F348-D352 WeakPolarHBondContact O-CB 3.33Å; F348-D352 PolarHBondContact O-N 3.27Å; H349-D352 PolarHBondContact O-N 2.87Å; I350-D352 VanDerWaalsContact C-N 3.31Å; I350-D352 PolarHBondContact O-N 3.39Å; D352-R356 WeakPolarHBondContact O-CB 3.3Å; D352-R356 VanDerWaalsContact O-CG 3.28Å; D352-R356 WeakPolarHBondContact O-CG 3.32Å; D352-R356 PolarHBondContact O-N 3.42Å; D352-R356 VanDerWaalsContact O-N 3.17Å; D352-R356 PolarHBondContact O-NE 3.03Å; D352-R356 VanDerWaalsContact O-NE 3.15Å; D352-R356 IonicContact OD1-NE 2.64Å; D352-R356 IonicContact OD2-CZ 3.51Å; D352-R356 IonicContact OD2-NE 3.95Å; D352-R356 PolarHBondContact OD2-NE 2.84Å; D352-R356 IonicContact OD2-NH2 3.03Å; D352-R356 PolarHBondContact OD2-NH2 3.43Å; D352-P410 HydrophobicContact CB-CG 3.94Å
353I87.8Confident85.4Confident87 Ų8771.9 Ų71.945%0.44636%0.355SS..Hα-helixtrans-66.2-49.7171.2-69165000109.7H349 I350 S355 R356 H357H349-I353 WeakPolarHBondContact O-CD1 3.48Å; H349-I353 VanDerWaalsContact O-CG1 3.23Å; H349-I353 WeakPolarHBondContact O-CG1 3.48Å; H349-I353 PolarHBondContact O-N 3.48Å; I350-I353 PolarHBondContact O-N 3.17Å; I353-S355 PolarHBondContact O-N 2.9Å; I353-R356 PolarHBondContact O-N 3.4Å; I353-H357 PolarHBondContact O-CD2 2.93Å; I353-H357 VanDerWaalsContact O-CD2 3.28Å; I353-H357 PolarHBondContact O-N 2.9Å
354I85.8Confident84.3Confident80 Ų8071.8 Ų71.841%0.4135%0.354SS..Hα-helixtrans-57.6-53.5179.2-70.1169.2000109.1I350 L351 R356 H357 T358I350-I354 HydrophobicContact CG2-CD1 3.63Å; I350-I354 HydrophobicContact CG2-CG1 4.35Å; I350-I354 WeakPolarHBondContact O-CB 3.3Å; I350-I354 VanDerWaalsContact O-CG1 3.24Å; I350-I354 WeakPolarHBondContact O-CG1 3.45Å; I350-I354 PolarHBondContact O-N 3.36Å; L351-I354 PolarHBondContact O-N 3.12Å; I354-R356 PolarHBondContact O-N 3.25Å; I354-H357 PolarHBondContact O-N 3.41Å; I354-H357 VanDerWaalsContact O-N 3.09Å; I354-T358 HydrophobicContact CG2-CG2 3.81Å; I354-T358 WeakPolarHBondContact O-CB 3.37Å; I354-T358 PolarHBondContact O-N 3.08Å; I354-T358 PolarHBondContact O-OG1 2.98Å
355S83.8Confident83.4Confident32 Ų3276.8 Ų76.822%0.22439%0.385CS..Hα-helixtrans-59.3-32.8-178.2-1800000113.1L351 I353 M407L351-S355 WeakPolarHBondContact O-CB 3.48Å; L351-S355 PolarHBondContact O-N 3.14Å; I353-S355 PolarHBondContact O-N 2.9Å; S355-M407 WeakPolarHBondContact O-CE 3.33Å
356R82.3Confident82.4Confident155 Ų15573.8 Ų73.859%0.58538%0.378SS*.Hα-helixtrans-76.7-34.4176.6-74.9-174.9-76.9169.8-3.4113.2D352 I353 I354D352-R356 WeakPolarHBondContact O-CB 3.3Å; D352-R356 VanDerWaalsContact O-CG 3.28Å; D352-R356 WeakPolarHBondContact O-CG 3.32Å; D352-R356 PolarHBondContact O-N 3.42Å; D352-R356 VanDerWaalsContact O-N 3.17Å; D352-R356 PolarHBondContact O-NE 3.03Å; D352-R356 VanDerWaalsContact O-NE 3.15Å; D352-R356 IonicContact OD1-NE 2.64Å; D352-R356 IonicContact OD2-CZ 3.51Å; D352-R356 IonicContact OD2-NE 3.95Å; D352-R356 PolarHBondContact OD2-NE 2.84Å; D352-R356 IonicContact OD2-NH2 3.03Å; D352-R356 PolarHBondContact OD2-NH2 3.43Å; I353-R356 PolarHBondContact O-N 3.4Å; I354-R356 PolarHBondContact O-N 3.25Å
357H80.7Confident81.5Confident152 Ų15276.3 Ų76.370%0.70440%0.396SS*.Hα-helixtrans-99.3-10.3-174.7-72.1-69000115.1I353 I354I353-H357 PolarHBondContact O-CD2 2.93Å; I353-H357 VanDerWaalsContact O-CD2 3.28Å; I353-H357 PolarHBondContact O-N 2.9Å; I354-H357 PolarHBondContact O-N 3.41Å; I354-H357 VanDerWaalsContact O-N 3.09Å
358T76.9Confident80.6Confident56 Ų5676.8 Ų76.834%0.34440%0.396SS..  trans-88.70.4177.440.40000113.5I354 T360 N403 M407I354-T358 HydrophobicContact CG2-CG2 3.81Å; I354-T358 WeakPolarHBondContact O-CB 3.37Å; I354-T358 PolarHBondContact O-N 3.08Å; I354-T358 PolarHBondContact O-OG1 2.98Å; T358-T360 PolarHBondContact O-N 3.39Å; T358-T360 VanDerWaalsContact O-N 3.14Å; T358-N403 PolarHBondContact O-ND2 3.44Å; T358-M407 WeakPolarHBondContact OG1-CE 3.38Å
359F79.6Confident80Confident92 Ų9283.4 Ų83.440%0.40443%0.427SS..  trans-68.8116.5178.1173.8-102.4000108.7Q361 R404 M407F359-Q361 HydrophobicContact CE1-CG 3.75Å; F359-Q361 HydrophobicContact CE2-CG 4.47Å; F359-Q361 HydrophobicContact CZ-CG 3.57Å; F359-R404 HydrophobicContact CE2-CB 4.34Å; F359-M407 VanDerWaalsContact CA-CE 3.47Å; F359-M407 HydrophobicContact CB-CE 3.9Å; F359-M407 HydrophobicContact CB-SD 4.3Å
360T74.9Confident79.4Confident56 Ų5683.2 Ų83.234%0.34443%0.427SS..  trans-134.9124.4-177.153.10000109.2T358 F362 N403T358-T360 PolarHBondContact O-N 3.39Å; T358-T360 VanDerWaalsContact O-N 3.14Å; T360-F362 VanDerWaalsContact OG1-CE2 3.24Å; T360-F362 WeakPolarHBondContact OG1-CE2 3.31Å; T360-F362 WeakPolarHBondContact OG1-CZ 3.45Å; T360-N403 PolarHBondContact N-OD1 2.88Å; T360-N403 PolarHBondContact O-OD1 3.41Å; T360-N403 PolarHBondContact OG1-ND2 3.24Å
361Q77.4Confident79.1Confident105 Ų10584.3 Ų84.349%0.49143%0.434SS..EExtended strand (participates in β ladder)trans-90.2120.6168.6-57.3-165.1-55.500108.1F359 D402F359-Q361 HydrophobicContact CE1-CG 3.75Å; F359-Q361 HydrophobicContact CE2-CG 4.47Å; F359-Q361 HydrophobicContact CZ-CG 3.57Å; Q361-D402 WeakPolarHBondContact CA-OD1 3.31Å; Q361-D402 WeakPolarHBondContact CB-OD1 3.48Å; Q361-D402 VanDerWaalsContact CG-OD1 3.24Å; Q361-D402 WeakPolarHBondContact CG-OD1 3.27Å; Q361-D402 PolarHBondContact NE2-OD2 3.01Å; Q361-D402 VanDerWaalsContact NE2-OD2 3.09Å
362F71.5Confident78.9Confident84 Ų8486.7 Ų86.737%0.36845%0.446SS..EExtended strand (participates in β ladder)trans-96.4104.4175.4-61.7-82000108.2L33 T360 S401L33-F362 HydrophobicContact CD2-CE2 4.49Å; T360-F362 VanDerWaalsContact OG1-CE2 3.24Å; T360-F362 WeakPolarHBondContact OG1-CE2 3.31Å; T360-F362 WeakPolarHBondContact OG1-CZ 3.45Å; F362-S401 WeakPolarHBondContact CB-OG 3.49Å; F362-S401 PolarHBondContact N-O 3.33Å; F362-S401 PolarHBondContact O-N 3.05Å; F362-S401 PolarHBondContact O-OG 2.82Å
363N77.4Confident78.8Confident91 Ų9190.6 Ų90.649%0.48748%0.476SS..EExtended strand (participates in β ladder)trans-101.995.9170.2-68.7-13.7000107.9T365 Q400N363-T365 PolarHBondContact O-N 2.68Å; N363-Q400 WeakPolarHBondContact OD1-CG 3.17Å
364I69.2Low78.9Confident57 Ų5788 Ų8829%0.29246%0.464SS..EExtended strand (participates in β ladder)trans-90.499.3174.7-57.3174.4000107H37 N398 V399H37-I364 HydrophobicContact CB-CD1 4.38Å; I364-N398 WeakPolarHBondContact O-CA 3.33Å; I364-V399 HydrophobicContact CB-CB 4.33Å; I364-V399 PolarHBondContact N-O 2.57Å; I364-V399 PolarHBondContact O-N 3.17Å
365T74.2Confident79.1Confident106 Ų10687.4 Ų87.465%0.6548%0.478SS*.EExtended strand (participates in β ladder)trans-99.6113.5172.255.20000109.1N363 T397N363-T365 PolarHBondContact O-N 2.68Å; T365-T397 WeakPolarHBondContact CA-O 3.29Å
366S69.9Low79.4Confident49 Ų4988 Ų8834%0.34349%0.489SS..EExtended strand (participates in β ladder)trans-116.9112.9170.9-177.30000108.7E396 T397S366-E396 WeakPolarHBondContact O-CA 3.49Å; S366-T397 PolarHBondContact N-O 3.47Å; S366-T397 PolarHBondContact O-N 3.43Å
367S73.7Confident79.5Confident103 Ų10387.4 Ų87.472%0.7250%0.498SS*.EExtended strand (participates in β ladder)trans-115.7115172.161.80000108.4
368H73.3Confident79.8Confident68 Ų6884.3 Ų84.332%0.31549%0.489SS..EExtended strand (participates in β ladder)trans-122.4136.6166.967.9-87.2000109.3S393 S394 S395H368-S393 PolarHBondContact CD2-O 2.83Å; H368-S393 PolarHBondContact NE2-O 2.89Å; H368-S393 PolarHBondContact NE2-OG 3.45Å; H368-S394 VanDerWaalsContact O-CA 3.32Å; H368-S394 WeakPolarHBondContact O-CA 3.47Å; H368-S395 WeakPolarHBondContact CE1-CB 3.44Å; H368-S395 PolarHBondContact CE1-OG 3.21Å; H368-S395 PolarHBondContact N-O 3.47Å; H368-S395 PolarHBondContact ND1-OG 2.89Å; H368-S395 PolarHBondContact O-N 3.25Å
369H78.8Confident80.1Confident153 Ų15382.8 Ų82.871%0.70848%0.478SS*.EExtended strand (participates in β ladder)trans-133102172.8-175.671.6000107.2
370I80.3Confident80.4Confident70 Ų7084.2 Ų84.236%0.35949%0.488SS..  trans-122.1112178.8-61.3173.5000105.7I372 N392I370-I372 HydrophobicContact CG2-CD1 3.64Å; I370-I372 HydrophobicContact CG2-CG1 3.82Å; I370-N392 WeakPolarHBondContact O-CA 3.27Å; I370-N392 PolarHBondContact O-OD1 2.94Å
371D84.4Confident81.1Confident113 Ų11381.9 Ų81.960%0.60447%0.474SS*.  trans-119.4116.1171.2-176.526.7000108.3N392D371-N392 PolarHBondContact OD1-ND2 3.15Å
372I85.1Confident81.6Confident83 Ų8380.4 Ų80.443%0.42646%0.464SS..  trans-130.4114.1-177.7-59.5170.7000107.4I370 I388I370-I372 HydrophobicContact CG2-CD1 3.64Å; I370-I372 HydrophobicContact CG2-CG1 3.82Å; I372-I388 HydrophobicContact CB-CG2 3.57Å; I372-I388 HydrophobicContact CD1-CG2 4.38Å; I372-I388 HydrophobicContact CG2-CD1 4.04Å; I372-I388 HydrophobicContact CG2-CG2 3.76Å
373S87.6Confident82.4Confident111 Ų11177.6 Ų77.678%0.77645%0.453SS*.PPolyproline II helixtrans-96.4122.6176.966.30000111
374V90.2Very high83Confident33 Ų3377.2 Ų77.220%0.245%0.45CS..PPolyproline II helixtrans-97.6121.9170.8-175.80000109.1A381 L384 R385 I388V374-A381 HydrophobicContact CG1-CB 4.17Å; V374-L384 HydrophobicContact CG1-CB 4.29Å; V374-L384 HydrophobicContact CG2-CB 4.37Å; V374-R385 HydrophobicContact CB-CB 4.26Å; V374-R385 PolarHBondContact O-NE 2.89Å; V374-R385 PolarHBondContact O-NH2 2.91Å; V374-I388 HydrophobicContact CG2-CD1 3.48Å; V374-I388 VanDerWaalsContact CG2-CD1 3.48Å
375G90.4Very high84Confident67 Ų6778.7 Ų78.769%0.69145%0.452SS*.PPolyproline II helixtrans-89.2157.2175.100000113.5
376G89.2Confident84.6Confident45 Ų4574.4 Ų74.446%0.46443%0.426SS..SBendtrans95.1157.5175.500000115.1A381 R385G376-A381 WeakPolarHBondContact O-CB 3.38Å; G376-R385 PolarHBondContact O-NH2 3.42Å
377D85.4Confident85.3Confident142 Ų14274.6 Ų74.676%0.75943%0.425SS*.  trans-108.217.6-173.3-67.1-29.4000114
378T86.1Confident86Confident87 Ų8771.5 Ų71.553%0.53440%0.4SS..SBendtrans-74.8155.3177.567.60000111.4M380 A381 R382T378-M380 PolarHBondContact O-N 3.5Å; T378-A381 PolarHBondContact O-N 3.25Å; T378-A381 VanDerWaalsContact OG1-CB 3.31Å; T378-A381 WeakPolarHBondContact OG1-CB 3.23Å; T378-A381 PolarHBondContact OG1-N 3.42Å; T378-A381 VanDerWaalsContact OG1-N 3.08Å; T378-R382 PolarHBondContact O-N 3.27Å
379M83.9Confident86.4Confident23 Ų2371 Ų7111%0.11340%0.404CS..Hα-helixtrans-52.6-42173.1-177.4-165.7-178.800111.4F63 D66 I70 L194 F198 R382 L383F63-M379 WeakPolarHBondContact O-CE 3.37Å; D66-M379 HydrophobicContact CB-CE 4.32Å; D66-M379 HydrophobicContact CB-CG 4.17Å; D66-M379 HydrophobicContact CB-SD 4.22Å; I70-M379 HydrophobicContact CD1-CB 4.36Å; I70-M379 HydrophobicContact CD1-SD 3.76Å; L194-M379 HydrophobicContact CD2-CE 3.73Å; L194-M379 HydrophobicContact CD2-SD 4.41Å; F198-M379 HydrophobicContact CE2-CE 4.18Å; M379-R382 PolarHBondContact O-N 3.49Å; M379-L383 HydrophobicContact CE-CD1 4.4Å; M379-L383 HydrophobicContact CG-CD1 4.44Å; M379-L383 WeakPolarHBondContact O-CG 3.45Å; M379-L383 PolarHBondContact O-N 3.44Å
380M86Confident86.5Confident123 Ų12364 Ų6461%0.60637%0.373SS*.Hα-helixtrans-66.3-40.5177.1-172.264.185.400112.3T378 R382 L383 L384T378-M380 PolarHBondContact O-N 3.5Å; M380-R382 VanDerWaalsContact C-N 3.32Å; M380-R382 PolarHBondContact O-N 2.94Å; M380-L383 PolarHBondContact O-N 3.32Å; M380-L384 HydrophobicContact CG-CD1 4.22Å; M380-L384 WeakPolarHBondContact O-CB 3.43Å; M380-L384 WeakPolarHBondContact O-CG 3.31Å; M380-L384 PolarHBondContact O-N 3.28Å
381A90.1Very high86.5Confident7 Ų763.8 Ų63.86%0.05837%0.37CS..Hα-helixtrans-64.3-38.3175.400000111.6V374 G376 T378 R385V374-A381 HydrophobicContact CG1-CB 4.17Å; G376-A381 WeakPolarHBondContact O-CB 3.38Å; T378-A381 PolarHBondContact O-N 3.25Å; T378-A381 VanDerWaalsContact OG1-CB 3.31Å; T378-A381 WeakPolarHBondContact OG1-CB 3.23Å; T378-A381 PolarHBondContact OG1-N 3.42Å; T378-A381 VanDerWaalsContact OG1-N 3.08Å; A381-R385 VanDerWaalsContact O-CB 3.23Å; A381-R385 WeakPolarHBondContact O-CB 3.26Å; A381-R385 PolarHBondContact O-N 2.89Å
382R87.9Confident86.2Confident74 Ų7461.7 Ų61.728%0.27936%0.359SS..Hα-helixtrans-64.4-46.8172.8-107.6-178.9-76.8142.77.7111.9E62 F63 D66 T378 M379 M380 L384 R385 T386E62-R382 IonicContact OE1-CZ 3.31Å; E62-R382 IonicContact OE1-NH1 3.56Å; E62-R382 PolarHBondContact OE1-NH1 2.96Å; F63-R382 HydrophobicContact CE1-CB 4.22Å; D66-R382 IonicContact OD1-NH1 3.76Å; D66-R382 IonicContact OD2-CZ 2.63Å; D66-R382 IonicContact OD2-NH1 3.91Å; D66-R382 PolarHBondContact OD2-NH1 2.99Å; D66-R382 IonicContact OD2-NH2 2.71Å; T378-R382 PolarHBondContact O-N 3.27Å; M379-R382 PolarHBondContact O-N 3.49Å; M380-R382 VanDerWaalsContact C-N 3.32Å; M380-R382 PolarHBondContact O-N 2.94Å; R382-L384 PolarHBondContact O-N 3.39Å; R382-R385 PolarHBondContact O-N 3.01Å; R382-T386 PolarHBondContact O-N 3.48Å; R382-T386 PolarHBondContact O-OG1 3.25Å
383L87.6Confident85.6Confident25 Ų2559.8 Ų59.813%0.13135%0.353CS..Hα-helixtrans-56-51.4174.6-79.8168000111.8F63 F198 M379 M380 R385 T386 T387F63-L383 HydrophobicContact CD1-CD2 3.58Å; F63-L383 HydrophobicContact CD1-CG 3.79Å; F63-L383 HydrophobicContact CD2-CD2 3.8Å; F63-L383 HydrophobicContact CE1-CB 4.32Å; F63-L383 HydrophobicContact CE1-CD2 3.43Å; F63-L383 VanDerWaalsContact CE1-CD2 3.43Å; F63-L383 HydrophobicContact CE1-CG 3.47Å; F63-L383 VanDerWaalsContact CE1-CG 3.47Å; F63-L383 HydrophobicContact CE2-CD2 3.64Å; F63-L383 HydrophobicContact CG-CD2 3.78Å; F63-L383 HydrophobicContact CG-CG 4.48Å; F63-L383 HydrophobicContact CZ-CB 4.49Å; F63-L383 HydrophobicContact CZ-CD2 3.47Å; F63-L383 VanDerWaalsContact CZ-CD2 3.47Å; F63-L383 HydrophobicContact CZ-CG 3.91Å; F198-L383 HydrophobicContact CE1-CD2 4.01Å; F198-L383 HydrophobicContact CZ-CD1 4.23Å; F198-L383 HydrophobicContact CZ-CD2 3.59Å; M379-L383 HydrophobicContact CE-CD1 4.4Å; M379-L383 HydrophobicContact CG-CD1 4.44Å; M379-L383 WeakPolarHBondContact O-CG 3.45Å; M379-L383 PolarHBondContact O-N 3.44Å; M380-L383 PolarHBondContact O-N 3.32Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 2.94Å; L383-T386 PolarHBondContact O-N 3.49Å; L383-T387 PolarHBondContact O-N 2.99Å; L383-T387 PolarHBondContact O-OG1 3Å
384L89.6Confident84.9Confident82 Ų8258.7 Ų58.743%0.42935%0.345SS..Hα-helixtrans-61.2-40.6178.3-72.6172.1000111.8V374 M380 R382 T387 I388V374-L384 HydrophobicContact CG1-CB 4.29Å; V374-L384 HydrophobicContact CG2-CB 4.37Å; M380-L384 HydrophobicContact CG-CD1 4.22Å; M380-L384 WeakPolarHBondContact O-CB 3.43Å; M380-L384 WeakPolarHBondContact O-CG 3.31Å; M380-L384 PolarHBondContact O-N 3.28Å; R382-L384 PolarHBondContact O-N 3.39Å; L384-T387 PolarHBondContact O-N 3.49Å; L384-I388 VanDerWaalsContact O-CB 3.24Å; L384-I388 WeakPolarHBondContact O-CB 3.26Å; L384-I388 WeakPolarHBondContact O-CD1 3.13Å; L384-I388 VanDerWaalsContact O-CG1 3.26Å; L384-I388 WeakPolarHBondContact O-CG1 3.47Å; L384-I388 PolarHBondContact O-N 2.64Å
385R89.9Confident83.8Confident88 Ų8858.3 Ų58.333%0.33234%0.344SS..Hα-helixtrans-63.6-43.4176.4-168.5178.9-61.5113.90.4111.4V374 G376 A381 R382 L383 I388 S389V374-R385 HydrophobicContact CB-CB 4.26Å; V374-R385 PolarHBondContact O-NE 2.89Å; V374-R385 PolarHBondContact O-NH2 2.91Å; G376-R385 PolarHBondContact O-NH2 3.42Å; A381-R385 VanDerWaalsContact O-CB 3.23Å; A381-R385 WeakPolarHBondContact O-CB 3.26Å; A381-R385 PolarHBondContact O-N 2.89Å; R382-R385 PolarHBondContact O-N 3.01Å; L383-R385 VanDerWaalsContact C-N 3.32Å; L383-R385 PolarHBondContact O-N 2.94Å; R385-I388 PolarHBondContact O-N 3.38Å; R385-S389 VanDerWaalsContact O-CB 3.27Å; R385-S389 WeakPolarHBondContact O-CB 3.47Å; R385-S389 PolarHBondContact O-N 3.13Å
386T86.4Confident83Confident16 Ų1663.5 Ų63.510%0.09835%0.35CS..Hα-helixtrans-61.5-45.6174.3-67.40000111.2Q55 L56 D59 R382 L383 I388 S389Q55-T386 HydrophobicContact CB-CG2 4.21Å; Q55-T386 HydrophobicContact CG-CG2 3.62Å; L56-T386 HydrophobicContact CD2-CG2 3.85Å; L56-T386 HydrophobicContact CG-CG2 4.19Å; D59-T386 PolarHBondContact OD2-OG1 3.15Å; R382-T386 PolarHBondContact O-N 3.48Å; R382-T386 PolarHBondContact O-OG1 3.25Å; L383-T386 PolarHBondContact O-N 3.49Å; T386-I388 PolarHBondContact O-N 3.39Å; T386-S389 PolarHBondContact O-N 3.08Å; T386-S389 PolarHBondContact O-OG 2.93Å
387T86.3Confident82.1Confident54 Ų5463 Ų6333%0.33134%0.338SS..Hα-helixtrans-63.6-42.2176.8-51.70000112.4V52 L383 L384 F391V52-T387 HydrophobicContact CG1-CG2 4.18Å; V52-T387 WeakPolarHBondContact CG2-O 3.07Å; L383-T387 PolarHBondContact O-N 2.99Å; L383-T387 PolarHBondContact O-OG1 3Å; L384-T387 PolarHBondContact O-N 3.49Å; T387-F391 WeakPolarHBondContact O-CD2 3.28Å
388I87.2Confident81.6Confident38 Ų3861.4 Ų61.420%0.19533%0.33CS..Hα-helixtrans-75.1-27.7-178.8-72.9164.3000111.6I372 V374 L384 R385 T386 G390 F391 N392I372-I388 HydrophobicContact CB-CG2 3.57Å; I372-I388 HydrophobicContact CD1-CG2 4.38Å; I372-I388 HydrophobicContact CG2-CD1 4.04Å; I372-I388 HydrophobicContact CG2-CG2 3.76Å; V374-I388 HydrophobicContact CG2-CD1 3.48Å; V374-I388 VanDerWaalsContact CG2-CD1 3.48Å; L384-I388 VanDerWaalsContact O-CB 3.24Å; L384-I388 WeakPolarHBondContact O-CB 3.26Å; L384-I388 WeakPolarHBondContact O-CD1 3.13Å; L384-I388 VanDerWaalsContact O-CG1 3.26Å; L384-I388 WeakPolarHBondContact O-CG1 3.47Å; L384-I388 PolarHBondContact O-N 2.64Å; R385-I388 PolarHBondContact O-N 3.38Å; T386-I388 PolarHBondContact O-N 3.39Å; I388-G390 VanDerWaalsContact C-N 3.25Å; I388-G390 PolarHBondContact O-N 3.31Å; I388-F391 CarbonylContact O-C 3.5Å; I388-F391 WeakPolarHBondContact O-CA 3.32Å; I388-F391 PolarHBondContact O-N 3.32Å; I388-N392 PolarHBondContact O-N 3.4Å
389S82.7Confident81.1Confident57 Ų5759.5 Ų59.540%0.39932%0.318SS..Hα-helixtrans-59.2-32.5-179.272.30000113.7R385 T386 F391 N392R385-S389 VanDerWaalsContact O-CB 3.27Å; R385-S389 WeakPolarHBondContact O-CB 3.47Å; R385-S389 PolarHBondContact O-N 3.13Å; T386-S389 PolarHBondContact O-N 3.08Å; T386-S389 PolarHBondContact O-OG 2.93Å; S389-F391 VanDerWaalsContact C-N 3.28Å; S389-F391 PolarHBondContact O-N 2.94Å; S389-N392 PolarHBondContact O-N 3.12Å
390G79.4Confident80.9Confident5 Ų564.7 Ų64.75%0.05234%0.342CS..THydrogen-bonded Turntrans-74.2-18175.300000114P48 I388P48-G390 WeakPolarHBondContact CA-O 3.47Å; P48-G390 WeakPolarHBondContact CB-O 3.3Å; I388-G390 VanDerWaalsContact C-N 3.25Å; I388-G390 PolarHBondContact O-N 3.31Å
391F80.4Confident80.6Confident67 Ų6759.7 Ų59.729%0.29432%0.319SS..THydrogen-bonded Turntrans-97.7-18.4173.3-65.1-80.3000113P48 F49 V52 T387 I388 S389 S393P48-F391 HydrophobicContact CB-CD1 3.76Å; P48-F391 HydrophobicContact CB-CE1 3.8Å; P48-F391 HydrophobicContact CB-CG 4.45Å; P48-F391 HydrophobicContact CG-CD1 4.41Å; P48-F391 HydrophobicContact CG-CE1 4.2Å; F49-F391 HydrophobicContact CD1-CZ 4.04Å; F49-F391 HydrophobicContact CE1-CE1 4.23Å; F49-F391 AromaticContact CE1-CZ 3.78Å; F49-F391 HydrophobicContact CE1-CZ 3.78Å; F49-F391 HydrophobicContact CZ-CE1 4.24Å; F49-F391 HydrophobicContact CZ-CZ 4.26Å; V52-F391 HydrophobicContact CG2-CD2 4.04Å; V52-F391 HydrophobicContact CG2-CE2 3.78Å; T387-F391 WeakPolarHBondContact O-CD2 3.28Å; I388-F391 CarbonylContact O-C 3.5Å; I388-F391 WeakPolarHBondContact O-CA 3.32Å; I388-F391 PolarHBondContact O-N 3.32Å; S389-F391 VanDerWaalsContact C-N 3.28Å; S389-F391 PolarHBondContact O-N 2.94Å; F391-S393 PolarHBondContact O-N 3.43Å
392N78.7Confident80.4Confident69 Ų6962.4 Ų62.437%0.36933%0.333SS..  trans-75.573.5172.7-164-18.2000109.6I370 D371 I388 S389I370-N392 WeakPolarHBondContact O-CA 3.27Å; I370-N392 PolarHBondContact O-OD1 2.94Å; D371-N392 PolarHBondContact OD1-ND2 3.15Å; I388-N392 PolarHBondContact O-N 3.4Å; S389-N392 PolarHBondContact O-N 3.12Å
393S73Confident80.2Confident42 Ų4259 Ų5929%0.29432%0.32SS..  trans-132.9135.2178.4165.20000108.1H368 F391H368-S393 PolarHBondContact CD2-O 2.83Å; H368-S393 PolarHBondContact NE2-O 2.89Å; H368-S393 PolarHBondContact NE2-OG 3.45Å; F391-S393 PolarHBondContact O-N 3.43Å
394S71.8Confident80.1Confident89 Ų8967.2 Ų67.262%0.62235%0.349SS*.EExtended strand (participates in β ladder)trans-100.7112.2160.457.90000107.5H368H368-S394 VanDerWaalsContact O-CA 3.32Å; H368-S394 WeakPolarHBondContact O-CA 3.47Å
395S68.7Low79.7Confident24 Ų2468.2 Ų68.217%0.16837%0.369CS..EExtended strand (participates in β ladder)trans-124126170.8101.30000110.1H368H368-S395 WeakPolarHBondContact CE1-CB 3.44Å; H368-S395 PolarHBondContact CE1-OG 3.21Å; H368-S395 PolarHBondContact N-O 3.47Å; H368-S395 PolarHBondContact ND1-OG 2.89Å; H368-S395 PolarHBondContact O-N 3.25Å
396E72.1Confident79.4Confident176 Ų17664.5 Ų64.582%0.82236%0.357SS*.EExtended strand (participates in β ladder)trans-105.4103.2164.7-166.8176-177.700107.1S366S366-E396 WeakPolarHBondContact O-CA 3.49Å
397T70.2Confident79.3Confident36 Ų3665.5 Ų65.522%0.22136%0.361CS..EExtended strand (participates in β ladder)trans-107118.317332.20000109L44 T365 S366L44-T397 HydrophobicContact CD1-CG2 4.36Å; L44-T397 HydrophobicContact CD2-CG2 4.03Å; T365-T397 WeakPolarHBondContact CA-O 3.29Å; S366-T397 PolarHBondContact N-O 3.47Å; S366-T397 PolarHBondContact O-N 3.43Å
398N76.1Confident79Confident108 Ų10865.4 Ų65.458%0.57836%0.362SS*.EExtended strand (participates in β ladder)trans-113.5105.7170.7-171-0.8000108.4I364I364-N398 WeakPolarHBondContact O-CA 3.33Å
399V75Confident78.7Confident47 Ų4768.9 Ų68.929%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-103105.9172.8-179.10000107.1V40 I364V40-V399 HydrophobicContact CG1-CG2 4.49Å; I364-V399 HydrophobicContact CB-CB 4.33Å; I364-V399 PolarHBondContact N-O 2.57Å; I364-V399 PolarHBondContact O-N 3.17Å
400Q80.3Confident78.9Confident131 Ų13167.2 Ų67.261%0.61238%0.375SS*.EExtended strand (participates in β ladder)trans-96.3124.6171.6-178.6167.425.800109N363N363-Q400 WeakPolarHBondContact OD1-CG 3.17Å
401S79.5Confident79.3Confident19 Ų1969 Ų6913%0.13339%0.387CS..EExtended strand (participates in β ladder)trans-147.9139.6-178.154.30000110.6H37 F362H37-S401 PolarHBondContact CE1-OG 3.29Å; H37-S401 WeakPolarHBondContact NE2-CB 3.26Å; H37-S401 PolarHBondContact NE2-OG 2.83Å; F362-S401 WeakPolarHBondContact CB-OG 3.49Å; F362-S401 PolarHBondContact N-O 3.33Å; F362-S401 PolarHBondContact O-N 3.05Å; F362-S401 PolarHBondContact O-OG 2.82Å
402D84.6Confident79.8Confident64 Ų6474.2 Ų74.234%0.34241%0.405SS..EExtended strand (participates in β ladder)trans-125144.2-176-69.8-7.7000109.8Q361 R404Q361-D402 WeakPolarHBondContact CA-OD1 3.31Å; Q361-D402 WeakPolarHBondContact CB-OD1 3.48Å; Q361-D402 VanDerWaalsContact CG-OD1 3.24Å; Q361-D402 WeakPolarHBondContact CG-OD1 3.27Å; Q361-D402 PolarHBondContact NE2-OD2 3.01Å; Q361-D402 VanDerWaalsContact NE2-OD2 3.09Å; D402-R404 VanDerWaalsContact C-N 3.28Å; D402-R404 PolarHBondContact O-N 3.27Å
403N85.3Confident80.3Confident2 Ų271.6 Ų71.61%0.01139%0.391CS..G310 helixtrans-88.412.5179.869.6-14.5000114.5N30 L33 T358 T360 A405 C406 M407N30-N403 WeakPolarHBondContact OD1-CB 3.3Å; N30-N403 PolarHBondContact OD1-ND2 3.31Å; L33-N403 HydrophobicContact CD2-CB 4.21Å; T358-N403 PolarHBondContact O-ND2 3.44Å; T360-N403 PolarHBondContact N-OD1 2.88Å; T360-N403 PolarHBondContact O-OD1 3.41Å; T360-N403 PolarHBondContact OG1-ND2 3.24Å; N403-A405 VanDerWaalsContact C-N 3.26Å; N403-A405 PolarHBondContact O-N 3.23Å; N403-C406 WeakPolarHBondContact O-CB 2.98Å; N403-C406 PolarHBondContact O-N 3.42Å; N403-M407 PolarHBondContact O-N 3.44Å
404R84.3Confident81.2Confident197 Ų19773.2 Ų73.274%0.74340%0.4SS*.G310 helixtrans-59.6-34.5-176.8-168.1176.8-177.7-177.61.2113.1F359 D402 C406 M407F359-R404 HydrophobicContact CE2-CB 4.34Å; D402-R404 VanDerWaalsContact C-N 3.28Å; D402-R404 PolarHBondContact O-N 3.27Å; R404-C406 VanDerWaalsContact C-N 3.25Å; R404-C406 PolarHBondContact O-N 3.45Å; R404-M407 PolarHBondContact O-N 2.79Å
405A81.5Confident82Confident103 Ų10377.2 Ų77.285%0.85141%0.406SS*.G310 helixtrans-67.9-24.9178.500000113.2N403N403-A405 VanDerWaalsContact C-N 3.26Å; N403-A405 PolarHBondContact O-N 3.23Å
406C84.1Confident83Confident10 Ų1083.6 Ų83.67%0.06843%0.434CS..G310 helixtrans-84.2-17.7178-62.10000112.8S26 C29 N403 R404 S408S26-C406 VanDerWaalsContact CA-O 3.29Å; S26-C406 WeakPolarHBondContact CA-O 3.47Å; S26-C406 VanDerWaalsContact CB-O 3.3Å; S26-C406 WeakPolarHBondContact CB-O 3.19Å; S26-C406 PolarHBondContact OG-O 2.98Å; C29-C406 HydrophobicContact CB-CB 3.54Å; C29-C406 WeakPolarHBondContact CB-SG 3.22Å; C29-C406 PolarHBondContact O-SG 3.03Å; C29-C406 WeakPolarHBondContact SG-CA 3.3Å; C29-C406 WeakPolarHBondContact SG-CB 3.08Å; C29-C406 CovalentContact SG-SG 2.04Å; C29-C406 PolarHBondContact SG-SG 3.42Å; N403-C406 WeakPolarHBondContact O-CB 2.98Å; N403-C406 PolarHBondContact O-N 3.42Å; R404-C406 VanDerWaalsContact C-N 3.25Å; R404-C406 PolarHBondContact O-N 3.45Å; C406-S408 PolarHBondContact O-N 2.8Å
407M83.2Confident83.8Confident37 Ų3775.9 Ų75.918%0.18240%0.4CS..  trans-77.8114.6-177.4-72.9-172.9155.700111.6S355 T358 F359 N403 R404S355-M407 WeakPolarHBondContact O-CE 3.33Å; T358-M407 WeakPolarHBondContact OG1-CE 3.38Å; F359-M407 VanDerWaalsContact CA-CE 3.47Å; F359-M407 HydrophobicContact CB-CE 3.9Å; F359-M407 HydrophobicContact CB-SD 4.3Å; N403-M407 PolarHBondContact O-N 3.44Å; R404-M407 PolarHBondContact O-N 2.79Å
408S80.7Confident84.7Confident53 Ų5377.4 Ų77.437%0.37140%0.403SS..PPolyproline II helixtrans-98.5122.7170-650000109.5C406C406-S408 PolarHBondContact O-N 2.8Å
409P81Confident85.4Confident110 Ų11074.6 Ų74.671%0.71439%0.394SS*.PPolyproline II helixtrans-64.3137.8178.926.4-33.2000110.1
410P86.9Confident86.1Confident23 Ų2374.8 Ų74.815%0.14940%0.398CS..PPolyproline II helixtrans-67.2139.1179.527.1-33.6000111.2F348 L351 D352F348-P410 HydrophobicContact CD2-CB 3.82Å; F348-P410 HydrophobicContact CD2-CG 4.22Å; F348-P410 HydrophobicContact CE2-CB 3.76Å; F348-P410 HydrophobicContact CE2-CG 3.68Å; F348-P410 HydrophobicContact CZ-CG 4.34Å; L351-P410 HydrophobicContact CB-CB 3.94Å; L351-P410 HydrophobicContact CB-CG 4.5Å; D352-P410 HydrophobicContact CB-CG 3.94Å
411S88.8Confident86.5Confident43 Ų4368.8 Ų68.830%0.30137%0.37SS..PPolyproline II helixtrans-80.8120.8176.6177.40000110.4N15 N19N15-S411 PolarHBondContact ND2-O 3.44Å; N15-S411 VanDerWaalsContact ND2-O 3.11Å; N15-S411 WeakPolarHBondContact OD1-CB 3.34Å; N15-S411 PolarHBondContact OD1-O 3.24Å; N15-S411 PolarHBondContact OD1-OG 2.72Å; N19-S411 PolarHBondContact ND2-O 2.93Å; N19-S411 WeakPolarHBondContact OD1-CB 3.42Å; N19-S411 PolarHBondContact OD1-N 2.97Å; N19-S411 PolarHBondContact OD1-O 3.25Å
412R89.6Confident87Confident175 Ų17571.9 Ų71.966%0.6639%0.388SS*.PPolyproline II helixtrans-78.7138.2169.9-73.6-174.8179.7167.85.9110.3F348F348-R412 HydrophobicContact CD1-CG 4.34Å; F348-R412 HydrophobicContact CD2-CB 4.48Å; F348-R412 HydrophobicContact CD2-CG 3.66Å; F348-R412 HydrophobicContact CE1-CG 3.91Å; F348-R412 HydrophobicContact CE2-CB 4.29Å; F348-R412 HydrophobicContact CE2-CG 3.16Å; F348-R412 HydrophobicContact CG-CG 4.26Å; F348-R412 HydrophobicContact CZ-CG 3.35Å
413L90.5Very high87.3Confident15 Ų1570.3 Ų70.38%0.07939%0.386CS..PPolyproline II helixtrans-66.8127.5170.9-168.372.9000109.7P12 N15 L341 D344 A417 Y418P12-L413 HydrophobicContact CB-CD2 4.45Å; N15-L413 HydrophobicContact CB-CD1 3.62Å; L341-L413 HydrophobicContact CD2-CD2 3.7Å; D344-L413 WeakPolarHBondContact OD2-CB 3.37Å; L413-A417 HydrophobicContact CD1-CB 3.92Å; L413-A417 HydrophobicContact CD2-CB 4.19Å; L413-A417 HydrophobicContact CG-CB 3.88Å; L413-Y418 HydrophobicContact CB-CE2 3.76Å; L413-Y418 HydrophobicContact CD2-CD2 4.06Å; L413-Y418 HydrophobicContact CD2-CE1 4.17Å; L413-Y418 HydrophobicContact CD2-CE2 3.72Å; L413-Y418 HydrophobicContact CD2-CG 4.45Å; L413-Y418 HydrophobicContact CG-CD2 4.35Å; L413-Y418 HydrophobicContact CG-CE2 3.98Å
414P90.8Very high87.6Confident75 Ų7570.9 Ų70.949%0.48739%0.39SS..PPolyproline II helixtrans-67.4149.1-178.227.3-34.1000111E416 A417P414-E416 PolarHBondContact O-N 3Å; P414-E416 VanDerWaalsContact O-N 3.13Å; P414-A417 HydrophobicContact CG-CB 4.12Å; P414-A417 WeakPolarHBondContact O-CB 3.48Å; P414-A417 PolarHBondContact O-N 3.03Å
415F88.6Confident87.9Confident173 Ų17362.6 Ų62.676%0.75936%0.362SS*.Hα-helixtrans-54.7-34.1178178.7-101.1000112.6A417 Y418 A419F415-A417 VanDerWaalsContact C-N 3.28Å; F415-A417 PolarHBondContact O-N 3.5Å; F415-Y418 WeakPolarHBondContact O-CB 3.23Å; F415-Y418 PolarHBondContact O-N 2.92Å; F415-A419 HydrophobicContact CE1-CB 4.41Å; F415-A419 PolarHBondContact O-N 2.86Å
416E89.8Confident88.3Confident158 Ų15863.1 Ų63.174%0.73835%0.35SS*.Hα-helixtrans-58-37.6176.4-61.9-173.6173.500113.1P414 A419 S420P414-E416 PolarHBondContact O-N 3Å; P414-E416 VanDerWaalsContact O-N 3.13Å; E416-A419 PolarHBondContact O-N 3.18Å; E416-S420 WeakPolarHBondContact O-CB 3.46Å; E416-S420 PolarHBondContact O-N 3.35Å
417A89.1Confident88.6Confident15 Ų1565.8 Ų65.812%0.12437%0.366CS..Hα-helixtrans-70.2-39.8178.500000111.4L413 P414 F415 S420 C421L413-A417 HydrophobicContact CD1-CB 3.92Å; L413-A417 HydrophobicContact CD2-CB 4.19Å; L413-A417 HydrophobicContact CG-CB 3.88Å; P414-A417 HydrophobicContact CG-CB 4.12Å; P414-A417 WeakPolarHBondContact O-CB 3.48Å; P414-A417 PolarHBondContact O-N 3.03Å; F415-A417 VanDerWaalsContact C-N 3.28Å; F415-A417 PolarHBondContact O-N 3.5Å; A417-S420 PolarHBondContact O-N 2.87Å; A417-C421 PolarHBondContact O-N 3.4Å; A417-C421 PolarHBondContact O-SG 3.1Å
418Y88.7Confident88.8Confident68 Ų6865.3 Ų65.327%0.26737%0.365SS..Hα-helixtrans-60.6-48172.3-73.9-80.9000111.4L341 L413 F415 S420 C421 V422L341-Y418 HydrophobicContact CB-CE1 4.36Å; L341-Y418 HydrophobicContact CD1-CD1 4.2Å; L341-Y418 HydrophobicContact CD1-CE1 4.47Å; L341-Y418 HydrophobicContact CD2-CD1 3.82Å; L341-Y418 HydrophobicContact CD2-CE1 3.7Å; L341-Y418 HydrophobicContact CG-CE1 4.39Å; L413-Y418 HydrophobicContact CB-CE2 3.76Å; L413-Y418 HydrophobicContact CD2-CD2 4.06Å; L413-Y418 HydrophobicContact CD2-CE1 4.17Å; L413-Y418 HydrophobicContact CD2-CE2 3.72Å; L413-Y418 HydrophobicContact CD2-CG 4.45Å; L413-Y418 HydrophobicContact CG-CD2 4.35Å; L413-Y418 HydrophobicContact CG-CE2 3.98Å; F415-Y418 WeakPolarHBondContact O-CB 3.23Å; F415-Y418 PolarHBondContact O-N 2.92Å; Y418-S420 VanDerWaalsContact C-N 3.32Å; Y418-S420 PolarHBondContact O-N 2.92Å; Y418-C421 PolarHBondContact O-N 2.99Å; Y418-V422 WeakPolarHBondContact O-CG2 3.06Å; Y418-V422 PolarHBondContact O-N 3.18Å
419A91.1Very high89.2Confident48 Ų4864.3 Ų64.340%0.39736%0.36SS..Hα-helixtrans-60.9-41.1177.300000111.6F415 E416 G423F415-A419 HydrophobicContact CE1-CB 4.41Å; F415-A419 PolarHBondContact O-N 2.86Å; E416-A419 PolarHBondContact O-N 3.18Å; A419-G423 WeakPolarHBondContact O-CA 3.34Å; A419-G423 PolarHBondContact O-N 3.41Å
420S89.9Confident89.7Confident52 Ų5264.2 Ų64.236%0.36435%0.352SS..Hα-helixtrans-65-41.2176.6-172.80000112.4I7 E416 A417 Y418 C424I7-S420 WeakPolarHBondContact CG2-OG 3.5Å; E416-S420 WeakPolarHBondContact O-CB 3.46Å; E416-S420 PolarHBondContact O-N 3.35Å; A417-S420 PolarHBondContact O-N 2.87Å; Y418-S420 VanDerWaalsContact C-N 3.32Å; Y418-S420 PolarHBondContact O-N 2.92Å; S420-C424 WeakPolarHBondContact O-CB 3.33Å; S420-C424 PolarHBondContact O-N 3.28Å
421C89.4Confident89.7Confident4 Ų469.4 Ų69.43%0.02737%0.373CS..Hα-helixtrans-64.1-50.6176.9-76.50000111.5L341 A417 Y418 C424 V425L341-C421 HydrophobicContact CD1-CB 4.34Å; A417-C421 PolarHBondContact O-N 3.4Å; A417-C421 PolarHBondContact O-SG 3.1Å; Y418-C421 PolarHBondContact O-N 2.99Å; C421-C424 PolarHBondContact O-N 3.32Å; C421-V425 WeakPolarHBondContact O-CG2 3.05Å; C421-V425 PolarHBondContact O-N 3.48Å; C421-V425 VanDerWaalsContact O-N 3.13Å
422V90.1Very high89.6Confident85 Ų8568 Ų6852%0.51536%0.363SS..Hα-helixtrans-63.7-46179.11750000110.7Y418 C424 V425 L426Y418-V422 WeakPolarHBondContact O-CG2 3.06Å; Y418-V422 PolarHBondContact O-N 3.18Å; V422-C424 VanDerWaalsContact C-N 3.31Å; V422-C424 PolarHBondContact O-N 2.8Å; V422-V425 PolarHBondContact O-N 3.5Å; V422-L426 HydrophobicContact CG1-CD1 4.08Å; V422-L426 HydrophobicContact CG1-CG 4.47Å; V422-L426 WeakPolarHBondContact O-CG 3.49Å; V422-L426 PolarHBondContact O-N 2.92Å
423G91.1Very high89.3Confident30 Ų3063.4 Ų63.431%0.30936%0.357SS..Hα-helixtrans-57-42.9176.300000112.2A419 L426 V427A419-G423 WeakPolarHBondContact O-CA 3.34Å; A419-G423 PolarHBondContact O-N 3.41Å; G423-L426 PolarHBondContact O-N 3.47Å; G423-V427 WeakPolarHBondContact O-CB 3.18Å; G423-V427 VanDerWaalsContact O-CG2 3.26Å; G423-V427 WeakPolarHBondContact O-CG2 3.45Å; G423-V427 PolarHBondContact O-N 3Å
424C89.9Confident89.1Confident14 Ų1465.4 Ų65.410%0.09537%0.37CS..Hα-helixtrans-65.9-40177.3-111.10000113.6I4 I7 S420 C421 V422 L426 V427 V428I4-C424 HydrophobicContact CG1-CB 4.23Å; I7-C424 HydrophobicContact CD1-CB 4.16Å; I7-C424 WeakPolarHBondContact CD1-SG 3.49Å; S420-C424 WeakPolarHBondContact O-CB 3.33Å; S420-C424 PolarHBondContact O-N 3.28Å; C421-C424 PolarHBondContact O-N 3.32Å; V422-C424 VanDerWaalsContact C-N 3.31Å; V422-C424 PolarHBondContact O-N 2.8Å; C424-L426 VanDerWaalsContact C-N 3.34Å; C424-V427 PolarHBondContact O-N 3.24Å; C424-V428 WeakPolarHBondContact O-CG2 3.34Å; C424-V428 PolarHBondContact O-N 2.04Å
425V90.4Very high88.8Confident24 Ų2466 Ų6615%0.14537%0.366CS..Hα-helixtrans-62.6-43.8175.6173.70000110.4C421 V422 V428 A429C421-V425 WeakPolarHBondContact O-CG2 3.05Å; C421-V425 PolarHBondContact O-N 3.48Å; C421-V425 VanDerWaalsContact O-N 3.13Å; V422-V425 PolarHBondContact O-N 3.5Å; V425-V428 PolarHBondContact O-N 3.28Å; V425-A429 WeakPolarHBondContact O-CB 3.31Å; V425-A429 PolarHBondContact O-N 3.38Å
426L90.5Very high88.6Confident114 Ų11458 Ų5860%0.59733%0.331SS*.Hα-helixtrans-61.4-44.7176.2-70.8172.8000112.2V422 G423 C424 V428 A429 L430V422-L426 HydrophobicContact CG1-CD1 4.08Å; V422-L426 HydrophobicContact CG1-CG 4.47Å; V422-L426 WeakPolarHBondContact O-CG 3.49Å; V422-L426 PolarHBondContact O-N 2.92Å; G423-L426 PolarHBondContact O-N 3.47Å; C424-L426 VanDerWaalsContact C-N 3.34Å; L426-V428 VanDerWaalsContact C-N 3.35Å; L426-V428 PolarHBondContact O-N 3.5Å; L426-A429 PolarHBondContact O-N 3.06Å; L426-L430 WeakPolarHBondContact O-CB 3.35Å; L426-L430 PolarHBondContact O-N 3.49Å
427V90.2Very high88.3Confident66 Ų6655 Ų5540%0.431%0.314SS..Hα-helixtrans-61.7-42.6177.6167.50000111.2G423 C424 L430 F431G423-V427 WeakPolarHBondContact O-CB 3.18Å; G423-V427 VanDerWaalsContact O-CG2 3.26Å; G423-V427 WeakPolarHBondContact O-CG2 3.45Å; G423-V427 PolarHBondContact O-N 3Å; C424-V427 PolarHBondContact O-N 3.24Å; V427-L430 PolarHBondContact O-N 2.95Å; V427-F431 HydrophobicContact CG1-CD2 3.56Å; V427-F431 HydrophobicContact CG1-CE2 3.29Å; V427-F431 HydrophobicContact CG1-CZ 4.32Å; V427-F431 WeakPolarHBondContact O-CD2 3.39Å; V427-F431 PolarHBondContact O-N 3.16Å
428V88.7Confident88.2Confident27 Ų2757.6 Ų57.616%0.16433%0.328CS..Hα-helixtrans-69.5-39.7177.41760000111.9M1 I4 V330 C424 V425 L426 L430 F431 S432M1-V428 HydrophobicContact CE-CG1 3.94Å; I4-V428 HydrophobicContact CD1-CB 4.26Å; I4-V428 HydrophobicContact CD1-CG1 4.5Å; I4-V428 HydrophobicContact CD1-CG2 3.46Å; I4-V428 VanDerWaalsContact CD1-CG2 3.46Å; I4-V428 HydrophobicContact CG1-CG2 4.28Å; V330-V428 HydrophobicContact CG2-CG1 3.95Å; C424-V428 WeakPolarHBondContact O-CG2 3.34Å; C424-V428 PolarHBondContact O-N 2.04Å; V425-V428 PolarHBondContact O-N 3.28Å; L426-V428 VanDerWaalsContact C-N 3.35Å; L426-V428 PolarHBondContact O-N 3.5Å; V428-L430 VanDerWaalsContact C-N 3.31Å; V428-L430 PolarHBondContact O-N 2.79Å; V428-F431 PolarHBondContact O-N 3.08Å; V428-S432 PolarHBondContact O-N 3.26Å; V428-S432 PolarHBondContact O-OG 3.42Å; V428-S432 VanDerWaalsContact O-OG 3.12Å
429A89.3Confident88Confident32 Ų3256.1 Ų56.126%0.26433%0.325SS..Hα-helixtrans-58.2-45.6173.300000111.4V330 V425 L426 S432 C433V330-A429 HydrophobicContact CG1-CB 3.97Å; V330-A429 HydrophobicContact CG2-CB 4.46Å; V425-A429 WeakPolarHBondContact O-CB 3.31Å; V425-A429 PolarHBondContact O-N 3.38Å; L426-A429 PolarHBondContact O-N 3.06Å; A429-S432 PolarHBondContact O-N 3.27Å; A429-C433 PolarHBondContact O-N 3.08Å; A429-C433 VanDerWaalsContact O-N 3.13Å; A429-C433 PolarHBondContact O-SG 3.5Å
430L89.6Confident87.8Confident107 Ų10754.5 Ų54.556%0.5631%0.309SS*.Hα-helixtrans-61.9-45.9176.3-173.8146.3000111.4L426 V427 V428 S432 C433 V434L426-L430 WeakPolarHBondContact O-CB 3.35Å; L426-L430 PolarHBondContact O-N 3.49Å; V427-L430 PolarHBondContact O-N 2.95Å; V428-L430 VanDerWaalsContact C-N 3.31Å; V428-L430 PolarHBondContact O-N 2.79Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 3.4Å; L430-C433 PolarHBondContact O-N 3.34Å; L430-C433 VanDerWaalsContact O-N 3.16Å; L430-V434 HydrophobicContact CD2-CG2 3.92Å; L430-V434 HydrophobicContact CG-CG2 4.45Å; L430-V434 WeakPolarHBondContact O-CB 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.34Å; L430-V434 PolarHBondContact O-N 3.45Å
431F87.3Confident87.7Confident133 Ų13356.7 Ų56.758%0.58332%0.316SS*.Hα-helixtrans-62.4-37.2176.6-78.7-49.7000112.8V427 V428 C433 V434 Q435V427-F431 HydrophobicContact CG1-CD2 3.56Å; V427-F431 HydrophobicContact CG1-CE2 3.29Å; V427-F431 HydrophobicContact CG1-CZ 4.32Å; V427-F431 WeakPolarHBondContact O-CD2 3.39Å; V427-F431 PolarHBondContact O-N 3.16Å; V428-F431 PolarHBondContact O-N 3.08Å; F431-C433 VanDerWaalsContact C-N 3.32Å; F431-C433 PolarHBondContact O-N 3.46Å; F431-V434 PolarHBondContact O-N 3.3Å; F431-Q435 WeakPolarHBondContact O-CB 3.01Å; F431-Q435 PolarHBondContact O-N 3.4Å
432S86.2Confident87.6Confident14 Ų1461.1 Ų61.110%0.09833%0.332CS..Hα-helixtrans-63.1-36.4174.2-63.80000112.5V428 A429 L430 Q435V428-S432 PolarHBondContact O-N 3.26Å; V428-S432 PolarHBondContact O-OG 3.42Å; V428-S432 VanDerWaalsContact O-OG 3.12Å; A429-S432 PolarHBondContact O-N 3.27Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 3.4Å; S432-Q435 WeakPolarHBondContact O-CB 3.38Å
433C83.4Confident87.5Confident77 Ų7757.4 Ų57.452%0.5231%0.309SS..Hα-helixtrans-70.5-43.8173.5-65.30000112A429 L430 F431 Q435A429-C433 PolarHBondContact O-N 3.08Å; A429-C433 VanDerWaalsContact O-N 3.13Å; A429-C433 PolarHBondContact O-SG 3.5Å; L430-C433 PolarHBondContact O-N 3.34Å; L430-C433 VanDerWaalsContact O-N 3.16Å; F431-C433 VanDerWaalsContact C-N 3.32Å; F431-C433 PolarHBondContact O-N 3.46Å; C433-Q435 VanDerWaalsContact C-N 3.27Å; C433-Q435 PolarHBondContact O-N 2.94Å
434V86.5Confident87.4Confident58 Ų5858.8 Ų58.835%0.35231%0.311SS..Hα-helixtrans-70.1-24.4-179.21730000112L430 F431 V436 Y437 T438L430-V434 HydrophobicContact CD2-CG2 3.92Å; L430-V434 HydrophobicContact CG-CG2 4.45Å; L430-V434 WeakPolarHBondContact O-CB 3.23Å; L430-V434 WeakPolarHBondContact O-CG2 3.34Å; L430-V434 PolarHBondContact O-N 3.45Å; F431-V434 PolarHBondContact O-N 3.3Å; V434-V436 PolarHBondContact O-N 3.25Å; V434-V436 VanDerWaalsContact O-N 3.14Å; V434-Y437 PolarHBondContact O-N 2.86Å; V434-T438 HydrophobicContact CG1-CG2 3.81Å; V434-T438 PolarHBondContact O-N 3.13Å
435Q84.9Confident87.3Confident88 Ų8862 Ų6241%0.41133%0.327SS..Hα-helixtrans-53.4-35.1179.5-174.5176.7-11.300113.5F431 S432 C433 T438 N439F431-Q435 WeakPolarHBondContact O-CB 3.01Å; F431-Q435 PolarHBondContact O-N 3.4Å; S432-Q435 WeakPolarHBondContact O-CB 3.38Å; C433-Q435 VanDerWaalsContact C-N 3.27Å; C433-Q435 PolarHBondContact O-N 2.94Å; Q435-T438 VanDerWaalsContact CA-OG1 3.32Å; Q435-T438 WeakPolarHBondContact CA-OG1 3.19Å; Q435-T438 PolarHBondContact O-OG1 3.45Å; Q435-N439 WeakPolarHBondContact O-CB 3.43Å; Q435-N439 VanDerWaalsContact O-CG 3.28Å; Q435-N439 PolarHBondContact O-N 2.74Å; Q435-N439 PolarHBondContact O-ND2 2.88Å
436V84.7Confident87.2Confident4 Ų461.3 Ų61.32%0.02432%0.323CS..Hα-helixtrans-64.4-44.3176.7-179.70000110.7E319 V323 V434 N439 R440E319-V436 HydrophobicContact CB-CG1 4.16Å; E319-V436 HydrophobicContact CG-CG1 4.36Å; V323-V436 HydrophobicContact CG2-CG2 3.21Å; V434-V436 PolarHBondContact O-N 3.25Å; V434-V436 VanDerWaalsContact O-N 3.14Å; V436-N439 PolarHBondContact O-N 3.43Å; V436-R440 WeakPolarHBondContact O-CG 3.5Å; V436-R440 PolarHBondContact O-N 2.89Å; V436-R440 VanDerWaalsContact O-N 3.16Å
437Y84.5Confident87.1Confident94 Ų9457 Ų5737%0.36930%0.303SS..Hα-helixtrans-73.1-35.5-178.6-60.4-73.2000111.8L313 V434 R440 L441L313-Y437 HydrophobicContact CD2-CE1 4.14Å; L313-Y437 PolarHBondContact O-OH 3.36Å; V434-Y437 PolarHBondContact O-N 2.86Å; Y437-R440 PolarHBondContact O-N 3.28Å; Y437-L441 WeakPolarHBondContact O-CB 3.45Å; Y437-L441 PolarHBondContact O-N 2.92Å
438T85.8Confident87Confident70 Ų7061.5 Ų61.543%0.42932%0.318SS..Hα-helixtrans-67.3-37.4174.657.30000111.8V434 Q435 R440 L441 R442V434-T438 HydrophobicContact CG1-CG2 3.81Å; V434-T438 PolarHBondContact O-N 3.13Å; Q435-T438 VanDerWaalsContact CA-OG1 3.32Å; Q435-T438 WeakPolarHBondContact CA-OG1 3.19Å; Q435-T438 PolarHBondContact O-OG1 3.45Å; T438-R440 PolarHBondContact O-N 2.79Å; T438-L441 PolarHBondContact O-N 3.3Å; T438-R442 WeakPolarHBondContact O-CB 3.36Å; T438-R442 PolarHBondContact O-N 2.88Å
439N84.3Confident87.2Confident38 Ų3868.2 Ų68.220%0.20334%0.342CS..Hα-helixtrans-61.9-42.1172.9-79.1-23.1000112.2Q322 Q435 V436 R443Q322-N439 PolarHBondContact OE1-ND2 2.04Å; Q435-N439 WeakPolarHBondContact O-CB 3.43Å; Q435-N439 VanDerWaalsContact O-CG 3.28Å; Q435-N439 PolarHBondContact O-N 2.74Å; Q435-N439 PolarHBondContact O-ND2 2.88Å; V436-N439 PolarHBondContact O-N 3.43Å; N439-R443 PolarHBondContact O-N 2.89Å
440R87.6Confident87.2Confident13 Ų1368.4 Ų68.45%0.04934%0.338CS..Hα-helixtrans-67.9-39174.5-69.9174.3173.9-162.27.8112.3Y276 S312 K314 E319 V436 Y437 T438 R443 V444Y276-R440 HydrophobicContact CE1-CG 4.47Å; S312-R440 PolarHBondContact O-NH1 3.1Å; K314-R440 PolarHBondContact O-NH2 2.91Å; E319-R440 VanDerWaalsContact CD-NH2 3.26Å; E319-R440 IonicContact OE1-CZ 3.45Å; E319-R440 VanDerWaalsContact OE1-CZ 3.27Å; E319-R440 IonicContact OE1-NE 3.09Å; E319-R440 PolarHBondContact OE1-NE 3.48Å; E319-R440 IonicContact OE1-NH2 3.27Å; E319-R440 PolarHBondContact OE1-NH2 3.34Å; E319-R440 VanDerWaalsContact OE1-NH2 3.09Å; E319-R440 IonicContact OE2-CZ 3.27Å; E319-R440 IonicContact OE2-NE 2.64Å; E319-R440 IonicContact OE2-NH2 3.56Å; E319-R440 PolarHBondContact OE2-NH2 3.16Å; V436-R440 WeakPolarHBondContact O-CG 3.5Å; V436-R440 PolarHBondContact O-N 2.89Å; V436-R440 VanDerWaalsContact O-N 3.16Å; Y437-R440 PolarHBondContact O-N 3.28Å; T438-R440 PolarHBondContact O-N 2.79Å; R440-R443 WeakPolarHBondContact O-CB 3.43Å; R440-R443 PolarHBondContact O-N 2.97Å; R440-V444 WeakPolarHBondContact O-CG2 3.34Å; R440-V444 PolarHBondContact O-N 3.44Å
441L86.6Confident87.2Confident99 Ų9967 Ų6752%0.51834%0.335SS..Hα-helixtrans-63.2-44.5175.8-177.163.7000111.1Y437 T438 R443 V444 I445Y437-L441 WeakPolarHBondContact O-CB 3.45Å; Y437-L441 PolarHBondContact O-N 2.92Å; T438-L441 PolarHBondContact O-N 3.3Å; L441-R443 PolarHBondContact O-N 2.95Å; L441-V444 PolarHBondContact O-N 2.65Å; L441-I445 HydrophobicContact CD1-CD1 4.41Å; L441-I445 HydrophobicContact CD1-CG1 4.46Å; L441-I445 HydrophobicContact CG-CD1 3.93Å; L441-I445 HydrophobicContact CG-CG1 4.42Å; L441-I445 VanDerWaalsContact O-CG1 3.32Å; L441-I445 WeakPolarHBondContact O-CG1 3.37Å; L441-I445 PolarHBondContact O-N 3.49Å
442R89.2Confident87.2Confident96 Ų9669.3 Ų69.336%0.36235%0.345SS..Hα-helixtrans-53.8-41.7173.8-177.7-179.764.8-177-3.7111.7Y262 T438 A446Y262-R442 HydrophobicContact CD1-CG 3.86Å; Y262-R442 VanDerWaalsContact CD2-CZ 3.43Å; Y262-R442 HydrophobicContact CE1-CG 3.73Å; T438-R442 WeakPolarHBondContact O-CB 3.36Å; T438-R442 PolarHBondContact O-N 2.88Å; R442-A446 WeakPolarHBondContact O-CB 3.47Å; R442-A446 PolarHBondContact O-N 2.98Å
443R87.6Confident87.4Confident8 Ų871.8 Ų71.83%0.0335%0.353CS..Hα-helixtrans-63.7-45.6174.717373.3-159-169.32.4112.3Y266 D273 Y276 N439 R440 L441 A446 A447 E454Y266-R443 PolarHBondContact OH-NH2 3.04Å; D273-R443 PolarHBondContact O-NH1 3.34Å; D273-R443 WeakPolarHBondContact OD2-CD 3.05Å; Y276-R443 HydrophobicContact CD2-CG 3.97Å; Y276-R443 HydrophobicContact CE2-CB 4.49Å; Y276-R443 HydrophobicContact CE2-CG 3.7Å; N439-R443 PolarHBondContact O-N 2.89Å; R440-R443 WeakPolarHBondContact O-CB 3.43Å; R440-R443 PolarHBondContact O-N 2.97Å; L441-R443 PolarHBondContact O-N 2.95Å; R443-A446 PolarHBondContact O-N 3.1Å; R443-A447 PolarHBondContact O-N 3.12Å; R443-E454 IonicContact CZ-OE2 3.3Å; R443-E454 IonicContact NH2-OE1 3.19Å; R443-E454 PolarHBondContact NH2-OE1 3.13Å; R443-E454 IonicContact NH2-OE2 2.73Å; R443-E454 PolarHBondContact NH2-OE2 3.2Å
444V87.5Confident87.7Confident58 Ų5869.3 Ų69.335%0.35233%0.333SS..Hα-helixtrans-62.5-43.4178.7172.20000111.1P310 R440 L441 A447 F448P310-V444 HydrophobicContact CB-CG2 4.43Å; R440-V444 WeakPolarHBondContact O-CG2 3.34Å; R440-V444 PolarHBondContact O-N 3.44Å; L441-V444 PolarHBondContact O-N 2.65Å; V444-A447 PolarHBondContact O-N 3.23Å; V444-F448 PolarHBondContact O-N 2.66Å
445I88.9Confident87.8Confident83 Ų8372 Ų7243%0.42634%0.34SS..Hα-helixtrans-59.6-48.5176-66.8167.3000110.3L441 A447 F448 Y449L441-I445 HydrophobicContact CD1-CD1 4.41Å; L441-I445 HydrophobicContact CD1-CG1 4.46Å; L441-I445 HydrophobicContact CG-CD1 3.93Å; L441-I445 HydrophobicContact CG-CG1 4.42Å; L441-I445 VanDerWaalsContact O-CG1 3.32Å; L441-I445 WeakPolarHBondContact O-CG1 3.37Å; L441-I445 PolarHBondContact O-N 3.49Å; I445-A447 VanDerWaalsContact C-N 3.28Å; I445-A447 PolarHBondContact O-N 3.48Å; I445-F448 PolarHBondContact O-N 3.03Å; I445-Y449 HydrophobicContact CG2-CD2 3.84Å; I445-Y449 HydrophobicContact CG2-CE2 3.77Å; I445-Y449 VanDerWaalsContact O-CD2 3.3Å; I445-Y449 WeakPolarHBondContact O-CD2 3.47Å; I445-Y449 PolarHBondContact O-N 3.24Å
446A89Confident88Confident8 Ų871.1 Ų71.17%0.06634%0.341CS..Hα-helixtrans-61.1-36.6178.500000112.9Y262 Y266 R442 R443 N450Y262-A446 HydrophobicContact CE1-CB 4.32Å; Y266-A446 HydrophobicContact CD1-CB 4.34Å; Y266-A446 HydrophobicContact CD2-CB 3.71Å; Y266-A446 HydrophobicContact CE1-CB 4.26Å; Y266-A446 HydrophobicContact CE2-CB 3.52Å; Y266-A446 HydrophobicContact CG-CB 4.12Å; R442-A446 WeakPolarHBondContact O-CB 3.47Å; R442-A446 PolarHBondContact O-N 2.98Å; R443-A446 PolarHBondContact O-N 3.1Å; A446-N450 WeakPolarHBondContact O-CB 3.42Å; A446-N450 PolarHBondContact O-N 2.95Å; A446-N450 PolarHBondContact O-ND2 3.15Å; A446-N450 VanDerWaalsContact O-ND2 3.11Å
447A87.6Confident88.3Confident23 Ų2371 Ų7119%0.1934%0.34CS..Hα-helixtrans-68.9-37.7176.300000112.7Y266 R443 V444 I445 N450 E454Y266-A447 WeakPolarHBondContact OH-CA 3.44Å; Y266-A447 WeakPolarHBondContact OH-CB 3.48Å; Y266-A447 PolarHBondContact OH-N 3.14Å; R443-A447 PolarHBondContact O-N 3.12Å; V444-A447 PolarHBondContact O-N 3.23Å; I445-A447 VanDerWaalsContact C-N 3.28Å; I445-A447 PolarHBondContact O-N 3.48Å; A447-N450 CarbonylContact O-C 3.57Å; A447-N450 PolarHBondContact O-N 3.12Å; A447-E454 HydrophobicContact CB-CG 4.07Å
448F88.8Confident88.5Confident161 Ų16166.6 Ų66.671%0.70632%0.323SS*.Hα-helixtrans-63.4-47.3178-176.7-100.1000111.9V444 I445 N450V444-F448 PolarHBondContact O-N 2.66Å; I445-F448 PolarHBondContact O-N 3.03Å; F448-N450 PolarHBondContact O-N 3.14Å
449Y91.3Very high88.7Confident169 Ų16966.6 Ų66.666%0.66332%0.32SS*.Hα-helixtrans-74.9-19.2-179.9-73.5-73.1000114.2I445 P451I445-Y449 HydrophobicContact CG2-CD2 3.84Å; I445-Y449 HydrophobicContact CG2-CE2 3.77Å; I445-Y449 VanDerWaalsContact O-CD2 3.3Å; I445-Y449 WeakPolarHBondContact O-CD2 3.47Å; I445-Y449 PolarHBondContact O-N 3.24Å; Y449-P451 VanDerWaalsContact C-CD 3.44Å; Y449-P451 WeakPolarHBondContact O-CD 3.35Å
450N89.9Confident89Confident36 Ų3669 Ų6919%0.19333%0.329CS..  trans-124.362-177.3-61.7-86.1000113Y266 A446 A447 F448 K452 R453 E454Y266-N450 HydrophobicContact CE1-CB 4.44Å; A446-N450 WeakPolarHBondContact O-CB 3.42Å; A446-N450 PolarHBondContact O-N 2.95Å; A446-N450 PolarHBondContact O-ND2 3.15Å; A446-N450 VanDerWaalsContact O-ND2 3.11Å; A447-N450 CarbonylContact O-C 3.57Å; A447-N450 PolarHBondContact O-N 3.12Å; F448-N450 PolarHBondContact O-N 3.14Å; N450-K452 PolarHBondContact O-N 3.11Å; N450-R453 HydrophobicContact CB-CB 4.17Å; N450-R453 PolarHBondContact O-N 2.98Å; N450-E454 PolarHBondContact O-N 2.73Å
451P88.9Confident89.1Confident77 Ų7769.1 Ų69.150%0.533%0.33SS..Hα-helixtrans-66.8-34.9-170.126.2-35.2000113.5Y449 E454 K455Y449-P451 VanDerWaalsContact C-CD 3.44Å; Y449-P451 WeakPolarHBondContact O-CD 3.35Å; P451-E454 PolarHBondContact O-N 2.87Å; P451-K455 WeakPolarHBondContact O-CG 3.2Å; P451-K455 PolarHBondContact O-N 3.41Å; P451-K455 VanDerWaalsContact O-N 3.17Å
452K88.4Confident89.2Confident181 Ų18164.4 Ų64.479%0.78731%0.305SS*.Hα-helixtrans-63.5-47.9176.6-67.5-175.9-178.8178.80110.8N450 E454 K455 T456N450-K452 PolarHBondContact O-N 3.11Å; K452-E454 VanDerWaalsContact C-N 3.32Å; K452-E454 PolarHBondContact O-N 2.97Å; K452-K455 PolarHBondContact O-N 3.42Å; K452-T456 PolarHBondContact O-N 3.37Å; K452-T456 PolarHBondContact O-OG1 3.45Å
453R89.6Confident89.2Confident67 Ų6763 Ų6325%0.25331%0.305SS..Hα-helixtrans-63.8-39.3178.8-17261172.5-177-2.3111.1R267 T268 N450 T456 R457R267-R453 PolarHBondContact O-NE 3.39Å; R267-R453 PolarHBondContact O-NH2 3.2Å; T268-R453 PolarHBondContact O-NH2 3.41Å; N450-R453 HydrophobicContact CB-CB 4.17Å; N450-R453 PolarHBondContact O-N 2.98Å; R453-T456 PolarHBondContact O-N 2.88Å; R453-R457 HydrophobicContact CG-CG 4.46Å; R453-R457 VanDerWaalsContact O-CG 3.23Å; R453-R457 WeakPolarHBondContact O-CG 3.47Å; R453-R457 PolarHBondContact O-N 3.24Å
454E89.3Confident89.3Confident24 Ų2465.6 Ų65.611%0.11232%0.319CS..Hα-helixtrans-63.6-42.9179.4-171.962.5-175.500112.6Y266 R443 A447 N450 P451 K452 T456 R457 V458Y266-E454 PolarHBondContact OH-OE2 3.46Å; R443-E454 IonicContact CZ-OE2 3.3Å; R443-E454 IonicContact NH2-OE1 3.19Å; R443-E454 PolarHBondContact NH2-OE1 3.13Å; R443-E454 IonicContact NH2-OE2 2.73Å; R443-E454 PolarHBondContact NH2-OE2 3.2Å; A447-E454 HydrophobicContact CB-CG 4.07Å; N450-E454 PolarHBondContact O-N 2.73Å; P451-E454 PolarHBondContact O-N 2.87Å; K452-E454 VanDerWaalsContact C-N 3.32Å; K452-E454 PolarHBondContact O-N 2.97Å; E454-T456 VanDerWaalsContact C-N 3.32Å; E454-T456 PolarHBondContact O-N 3.31Å; E454-R457 PolarHBondContact O-N 2.88Å; E454-R457 VanDerWaalsContact O-N 3.17Å; E454-V458 HydrophobicContact CG-CG2 4.38Å; E454-V458 WeakPolarHBondContact O-CG2 3.38Å; E454-V458 PolarHBondContact O-N 3.32Å
455K89.4Confident89.2Confident116 Ų11663.6 Ų63.650%0.50431%0.306SS..Hα-helixtrans-57.6-44.8175.2-72.7178.6-177.4179.10112Y280 P451 K452 R457 V458 L459Y280-K455 HydrophobicContact CD1-CG 4.43Å; Y280-K455 HydrophobicContact CE1-CB 4.21Å; Y280-K455 HydrophobicContact CE1-CG 4.12Å; P451-K455 WeakPolarHBondContact O-CG 3.2Å; P451-K455 PolarHBondContact O-N 3.41Å; P451-K455 VanDerWaalsContact O-N 3.17Å; K452-K455 PolarHBondContact O-N 3.42Å; K455-R457 VanDerWaalsContact C-N 3.34Å; K455-R457 PolarHBondContact O-N 2.91Å; K455-V458 PolarHBondContact O-N 3.44Å; K455-L459 WeakPolarHBondContact O-CB 3.35Å; K455-L459 WeakPolarHBondContact O-CG 3.32Å; K455-L459 PolarHBondContact O-N 3.07Å
456T89.9Confident89.1Confident69 Ų6960.7 Ų60.742%0.42329%0.292SS..Hα-helixtrans-61.2-42.6176.9-50.40000111.7K452 R453 E454 L459 F460K452-T456 PolarHBondContact O-N 3.37Å; K452-T456 PolarHBondContact O-OG1 3.45Å; R453-T456 PolarHBondContact O-N 2.88Å; E454-T456 VanDerWaalsContact C-N 3.32Å; E454-T456 PolarHBondContact O-N 3.31Å; T456-L459 PolarHBondContact O-N 3.41Å; T456-F460 WeakPolarHBondContact O-CB 3.48Å; T456-F460 PolarHBondContact O-N 3.42Å
457R90.8Very high89Confident0 Ų066 Ų660%032%0.315CS..Hα-helixtrans-66.9-40.3-179.7-68.3174.669.5159.28.7112.7Y266 I270 F272 N274 R453 E454 K455 F460 L461Y266-R457 VanDerWaalsContact CD1-NH1 3.26Å; Y266-R457 VanDerWaalsContact CE1-NH1 3.31Å; Y266-R457 VanDerWaalsContact CZ-NH1 3.27Å; Y266-R457 PolarHBondContact O-NH1 3.07Å; Y266-R457 VanDerWaalsContact O-NH1 3.07Å; I270-R457 HydrophobicContact CG2-CG 4.27Å; F272-R457 PolarHBondContact O-NH2 2.87Å; N274-R457 PolarHBondContact ND2-O 3.35Å; R453-R457 HydrophobicContact CG-CG 4.46Å; R453-R457 VanDerWaalsContact O-CG 3.23Å; R453-R457 WeakPolarHBondContact O-CG 3.47Å; R453-R457 PolarHBondContact O-N 3.24Å; E454-R457 PolarHBondContact O-N 2.88Å; E454-R457 VanDerWaalsContact O-N 3.17Å; K455-R457 VanDerWaalsContact C-N 3.34Å; K455-R457 PolarHBondContact O-N 2.91Å; R457-F460 PolarHBondContact O-N 2.86Å; R457-L461 WeakPolarHBondContact O-CB 3.37Å; R457-L461 PolarHBondContact O-N 3.21Å
458V89.1Confident88.8Confident2 Ų270.7 Ų70.71%0.01233%0.328CS..Hα-helixtrans-67.4-41.9175.7175.30000111T278 Y280 F281 I284 E454 K455 L461 Y462T278-V458 HydrophobicContact CG2-CG2 4.11Å; T278-V458 WeakPolarHBondContact OG1-CG2 3.33Å; Y280-V458 HydrophobicContact CD1-CB 4.04Å; Y280-V458 HydrophobicContact CD1-CG1 3.76Å; F281-V458 HydrophobicContact CB-CG1 3.79Å; F281-V458 HydrophobicContact CD2-CG1 4.1Å; F281-V458 HydrophobicContact CG-CG1 4.44Å; I284-V458 HydrophobicContact CD1-CG1 4.39Å; E454-V458 HydrophobicContact CG-CG2 4.38Å; E454-V458 WeakPolarHBondContact O-CG2 3.38Å; E454-V458 PolarHBondContact O-N 3.32Å; K455-V458 PolarHBondContact O-N 3.44Å; V458-L461 PolarHBondContact O-N 3.36Å; V458-Y462 WeakPolarHBondContact O-CB 3.31Å; V458-Y462 PolarHBondContact O-N 2.92Å
459L90.1Very high88.5Confident70 Ų7066 Ų6637%0.36631%0.305SS..Hα-helixtrans-62.5-44.9174.9-77.8166.8000111.8Y280 I284 K455 T456 Y462 N463Y280-L459 HydrophobicContact CE1-CG 4.34Å; I284-L459 HydrophobicContact CD1-CD2 3.81Å; I284-L459 HydrophobicContact CD1-CG 4.43Å; K455-L459 WeakPolarHBondContact O-CB 3.35Å; K455-L459 WeakPolarHBondContact O-CG 3.32Å; K455-L459 PolarHBondContact O-N 3.07Å; T456-L459 PolarHBondContact O-N 3.41Å; L459-Y462 PolarHBondContact O-N 3.39Å; L459-N463 WeakPolarHBondContact O-CB 3.45Å; L459-N463 PolarHBondContact O-N 3.22Å
460F90.2Very high88Confident90 Ų9062 Ų6240%0.39530%0.295SS..Hα-helixtrans-59-47.8175.5176.6-96.8000111.3I270 T456 R457 Y462 N463 L464I270-F460 HydrophobicContact CG2-CB 3.84Å; I270-F460 HydrophobicContact CG2-CD1 3.45Å; I270-F460 VanDerWaalsContact CG2-CD1 3.45Å; I270-F460 HydrophobicContact CG2-CD2 4.25Å; I270-F460 HydrophobicContact CG2-CE1 4.03Å; I270-F460 HydrophobicContact CG2-CG 3.57Å; T456-F460 WeakPolarHBondContact O-CB 3.48Å; T456-F460 PolarHBondContact O-N 3.42Å; R457-F460 PolarHBondContact O-N 2.86Å; F460-Y462 VanDerWaalsContact C-N 3.34Å; F460-Y462 PolarHBondContact O-N 3.24Å; F460-N463 PolarHBondContact O-N 2.99Å; F460-L464 HydrophobicContact CE1-CD2 4.14Å; F460-L464 VanDerWaalsContact O-CB 3.22Å; F460-L464 WeakPolarHBondContact O-CB 3.39Å; F460-L464 PolarHBondContact O-N 3.32Å
461L89.3Confident87.3Confident14 Ų1464.8 Ų64.87%0.07332%0.317CS..Hα-helixtrans-61-42.9178.1-17463.9000112N274 F307 R457 V458 Q465N274-L461 WeakPolarHBondContact O-CD1 3.34Å; F307-L461 HydrophobicContact CE1-CD1 4.22Å; F307-L461 HydrophobicContact CE1-CD2 4.31Å; F307-L461 HydrophobicContact CE1-CG 4.42Å; R457-L461 WeakPolarHBondContact O-CB 3.37Å; R457-L461 PolarHBondContact O-N 3.21Å; V458-L461 PolarHBondContact O-N 3.36Å; L461-Q465 PolarHBondContact O-N 3.25Å
462Y88.8Confident86Confident0 Ų065 Ų650%032%0.32CS..Hα-helixtrans-63.3-49.3178.5-171.4-82.3000111.7F281 I284 D285 L296 V458 L459 F460 Q465 L466F281-Y462 HydrophobicContact CD1-CD2 4.31Å; F281-Y462 AromaticContact CD2-CD2 3.89Å; F281-Y462 HydrophobicContact CD2-CD2 3.89Å; F281-Y462 AromaticContact CE1-CD2 3.99Å; F281-Y462 HydrophobicContact CE1-CD2 3.99Å; F281-Y462 HydrophobicContact CE1-CE2 4.3Å; F281-Y462 AromaticContact CE2-CD2 3.56Å; F281-Y462 HydrophobicContact CE2-CD2 3.56Å; F281-Y462 HydrophobicContact CE2-CG 4.13Å; F281-Y462 HydrophobicContact CG-CD2 4.26Å; F281-Y462 AromaticContact CZ-CD2 3.6Å; F281-Y462 HydrophobicContact CZ-CD2 3.6Å; F281-Y462 HydrophobicContact CZ-CE2 4.23Å; F281-Y462 HydrophobicContact CZ-CG 4.46Å; I284-Y462 HydrophobicContact CB-CD2 4.45Å; I284-Y462 HydrophobicContact CB-CE2 4.35Å; I284-Y462 HydrophobicContact CG2-CD1 4.1Å; I284-Y462 HydrophobicContact CG2-CD2 4.04Å; I284-Y462 HydrophobicContact CG2-CE1 3.93Å; I284-Y462 HydrophobicContact CG2-CE2 3.85Å; I284-Y462 HydrophobicContact CG2-CG 4.17Å; D285-Y462 HydrophobicContact CB-CE2 4.07Å; D285-Y462 PolarHBondContact OD1-OH 3.45Å; D285-Y462 VanDerWaalsContact OD1-OH 3.11Å; L296-Y462 HydrophobicContact CD1-CD1 4.13Å; L296-Y462 HydrophobicContact CD1-CD2 3.79Å; L296-Y462 HydrophobicContact CD1-CE1 3.91Å; L296-Y462 HydrophobicContact CD1-CE2 3.58Å; L296-Y462 HydrophobicContact CD1-CG 4.05Å; V458-Y462 WeakPolarHBondContact O-CB 3.31Å; V458-Y462 PolarHBondContact O-N 2.92Å; L459-Y462 PolarHBondContact O-N 3.39Å; F460-Y462 VanDerWaalsContact C-N 3.34Å; F460-Y462 PolarHBondContact O-N 3.24Å; Y462-Q465 PolarHBondContact O-N 3.17Å; Y462-L466 WeakPolarHBondContact O-CB 3.09Å; Y462-L466 PolarHBondContact O-N 3.19Å
463N89.4Confident84.5Confident67 Ų6760.8 Ų60.836%0.35831%0.311SS..Hα-helixtrans-64.5-41.5178.4-73.8-18.5000111.7L459 F460 Q465 L466 H467L459-N463 WeakPolarHBondContact O-CB 3.45Å; L459-N463 PolarHBondContact O-N 3.22Å; F460-N463 PolarHBondContact O-N 2.99Å; N463-Q465 VanDerWaalsContact C-N 3.33Å; N463-Q465 PolarHBondContact O-N 2.94Å; N463-L466 PolarHBondContact O-N 3.23Å; N463-H467 WeakPolarHBondContact O-CB 3.34Å; N463-H467 PolarHBondContact O-CD2 3.27Å; N463-H467 VanDerWaalsContact O-CD2 3.3Å; N463-H467 PolarHBondContact O-N 3.24Å
464L88.4Confident82.4Confident62 Ų6267.2 Ų67.233%0.32534%0.341SS..Hα-helixtrans-59.5-43.6176.5-17865.2000111.6F460 R468F460-L464 HydrophobicContact CE1-CD2 4.14Å; F460-L464 VanDerWaalsContact O-CB 3.22Å; F460-L464 WeakPolarHBondContact O-CB 3.39Å; F460-L464 PolarHBondContact O-N 3.32Å; L464-R468 WeakPolarHBondContact O-CG 3.1Å; L464-R468 PolarHBondContact O-N 3.32Å
465Q86.2Confident80.2Confident16 Ų1676.7 Ų76.78%0.07538%0.376CS..Hα-helixtrans-73-35.3179.7-166.462.614.100112.3L296 E303 F307 L461 Y462 N463 R468 R469L296-Q465 HydrophobicContact CD1-CB 4.43Å; L296-Q465 HydrophobicContact CD2-CB 4Å; L296-Q465 HydrophobicContact CD2-CG 3.49Å; L296-Q465 VanDerWaalsContact CD2-CG 3.49Å; E303-Q465 PolarHBondContact OE1-NE2 3.37Å; F307-Q465 HydrophobicContact CE2-CG 4.46Å; F307-Q465 HydrophobicContact CZ-CG 4.11Å; L461-Q465 PolarHBondContact O-N 3.25Å; Y462-Q465 PolarHBondContact O-N 3.17Å; N463-Q465 VanDerWaalsContact C-N 3.33Å; N463-Q465 PolarHBondContact O-N 2.94Å; Q465-R468 PolarHBondContact O-N 2.85Å; Q465-R469 PolarHBondContact O-N 3.21Å
466L87.3Confident77.9Confident23 Ų2381 Ų8112%0.1239%0.389CS..Hα-helixtrans-62-48.5173.5-170.278.3000111.2H294 L296 Y462 N463 R468 R469 L470H294-L466 HydrophobicContact CB-CD1 4.22Å; L296-L466 HydrophobicContact CD1-CB 4.28Å; L296-L466 HydrophobicContact CD1-CD1 4.4Å; L296-L466 HydrophobicContact CG-CD1 4.47Å; Y462-L466 WeakPolarHBondContact O-CB 3.09Å; Y462-L466 PolarHBondContact O-N 3.19Å; N463-L466 PolarHBondContact O-N 3.23Å; L466-R468 VanDerWaalsContact C-N 3.33Å; L466-R468 PolarHBondContact O-N 3.17Å; L466-R469 PolarHBondContact O-N 3.08Å; L466-R469 VanDerWaalsContact O-N 3.15Å; L466-L470 HydrophobicContact CD2-CD1 4.35Å; L466-L470 HydrophobicContact CG-CD1 3.97Å; L466-L470 WeakPolarHBondContact O-CG 3.34Å; L466-L470 PolarHBondContact O-N 3.29Å
467H85.8Confident75.4Confident120 Ų12083.7 Ų83.756%0.55641%0.406SS*.Hα-helixtrans-57.4-45.9173.7-87.9-72.8000111.2N463 R469 L470 S471N463-H467 WeakPolarHBondContact O-CB 3.34Å; N463-H467 PolarHBondContact O-CD2 3.27Å; N463-H467 VanDerWaalsContact O-CD2 3.3Å; N463-H467 PolarHBondContact O-N 3.24Å; H467-R469 VanDerWaalsContact C-N 3.29Å; H467-R469 PolarHBondContact O-N 3.35Å; H467-L470 PolarHBondContact O-N 2.03Å; H467-L470 VanDerWaalsContact O-N 3.16Å; H467-S471 WeakPolarHBondContact O-CB 3.48Å; H467-S471 PolarHBondContact O-N 2.86Å; H467-S471 PolarHBondContact O-OG 2.96Å
468R83.9Confident73.1Confident121 Ų12192.1 Ų92.146%0.45745%0.445SS..Hα-helixtrans-58.1-39.2176.2-78.4177.3-179.7166.90.5113L464 Q465 L466 S472L464-R468 WeakPolarHBondContact O-CG 3.1Å; L464-R468 PolarHBondContact O-N 3.32Å; Q465-R468 PolarHBondContact O-N 2.85Å; L466-R468 VanDerWaalsContact C-N 3.33Å; L466-R468 PolarHBondContact O-N 3.17Å; R468-S472 WeakPolarHBondContact O-CB 3.41Å; R468-S472 PolarHBondContact O-N 3.13Å; R468-S472 PolarHBondContact O-OG 3.26Å
469R81.8Confident70.8Confident61 Ų6199.6 Ų99.623%0.2348%0.483CS..Hα-helixtrans-70.4-38.4176.4-76.9-161175.6-179.25.8112.6L296 P298 E303 Q465 L466 H467 P473L296-R469 HydrophobicContact CD2-CG 4.31Å; L296-R469 VanDerWaalsContact O-CZ 3.24Å; L296-R469 PolarHBondContact O-NH1 2.92Å; L296-R469 PolarHBondContact O-NH2 3.22Å; P298-R469 PolarHBondContact O-NH2 3.04Å; E303-R469 IonicContact OE1-CZ 3.74Å; E303-R469 IonicContact OE1-NE 3.7Å; E303-R469 PolarHBondContact OE1-NE 3.45Å; E303-R469 IonicContact OE1-NH2 3.79Å; E303-R469 IonicContact OE2-CZ 2.7Å; E303-R469 IonicContact OE2-NE 2.66Å; E303-R469 IonicContact OE2-NH2 3.48Å; E303-R469 PolarHBondContact OE2-NH2 3.01Å; Q465-R469 PolarHBondContact O-N 3.21Å; L466-R469 PolarHBondContact O-N 3.08Å; L466-R469 VanDerWaalsContact O-N 3.15Å; H467-R469 VanDerWaalsContact C-N 3.29Å; H467-R469 PolarHBondContact O-N 3.35Å; R469-P473 WeakPolarHBondContact O-CD 3.18Å
470L81.1Confident68.5Low86 Ų86101.6 Ų101.645%0.4550%0.503SS..Hα-helixtrans-73.1-30177.6-71.7167.9000113.3L466 H467 P473L466-L470 HydrophobicContact CD2-CD1 4.35Å; L466-L470 HydrophobicContact CG-CD1 3.97Å; L466-L470 WeakPolarHBondContact O-CG 3.34Å; L466-L470 PolarHBondContact O-N 3.29Å; H467-L470 PolarHBondContact O-N 2.03Å; H467-L470 VanDerWaalsContact O-N 3.16Å; L470-P473 WeakPolarHBondContact O-CD 3.01Å; L470-P473 WeakPolarHBondContact O-CG 3.41Å
471S75.3Confident66.2Low95 Ų95109 Ų10966%0.66453%0.528SS*.Hα-helixtrans-86.5-21.3175.7-56.10000113.2H467H467-S471 WeakPolarHBondContact O-CB 3.48Å; H467-S471 PolarHBondContact O-N 2.86Å; H467-S471 PolarHBondContact O-OG 2.96Å
472S62.9Low63.8Low81 Ų81112.1 Ų112.157%0.56656%0.563SS**SBendtrans-89.911.9176.7-55.10000118.9R468 K474R468-S472 WeakPolarHBondContact O-CB 3.41Å; R468-S472 PolarHBondContact O-N 3.13Å; R468-S472 PolarHBondContact O-OG 3.26Å; S472-K474 VanDerWaalsContact C-N 3.27Å; S472-K474 PolarHBondContact O-N 3.15Å
473P56.4Low61.1Low92 Ų92124 Ų12460%0.59761%0.608SS**THydrogen-bonded Turntrans-67-23.1176.5-17.828.9000114.3R469 L470R469-P473 WeakPolarHBondContact O-CD 3.18Å; L470-P473 WeakPolarHBondContact O-CD 3.01Å; L470-P473 WeakPolarHBondContact O-CG 3.41Å
474K45.5Very low58.5Low202 Ų202132.2 Ų132.288%0.87863%0.634SS**THydrogen-bonded Turntrans-98.822.7-163.4-107.2-177.9-177.7179.80116.9S472S472-K474 VanDerWaalsContact C-N 3.27Å; S472-K474 PolarHBondContact O-N 3.15Å
475R41.9Very low56.1Low224 Ų224136.2 Ų136.285%0.84566%0.661SS**SBendtrans-125.232.5177.3-138.3-179.1-158.8-176.76.8114.2
476R42Very low53.5Low205 Ų205138.6 Ų138.677%0.77469%0.691SS**SBendtrans-120.11.2-179.5-92.4-173.8175.4-175.2-4.8116.3
477T38.4Very low51.4Low126 Ų126142.6 Ų142.677%0.77372%0.716SS**SBendtrans-122.14.4-178.222.40000116.3
478H41.9Very low49.2Very low178 Ų178144.7 Ų144.782%0.82473%0.728SS**SBendtrans-143.2100.2164-91.9-87000109.2
479I40.3Very low47.1Very low158 Ų158147 Ų14781%0.8174%0.741SS**  trans175.469.3141.2-76.8146.6000104.3
480S42.6Very low45.1Very low112 Ų112150.1 Ų150.178%0.78376%0.759SS**  trans-11469.915551.30000106.7
481R41Very low43.2Very low246 Ų246156 Ų15693%0.92878%0.775SS**SBendtrans-179.4116.1153.8-103.3158.8177.6173.2-0.7110.2
482G39.9Very low41.5Very low79 Ų79157.6 Ų157.681%0.81478%0.776SS**  trans93.487.5154.800000117.1
483R31.3Very low40.5Very low251 Ų251158.2 Ų158.295%0.94778%0.776SS**  -159.7117.5124.8-148.7153.3169.8165.9-4112
484R33.6Very low39.8Very low239 Ų239162.6 Ų162.690%0.90278%0.781SS**  trans-51.6145.5177.8-71.5170.8169.9164.1-4.9112.9G486R484-G486 PolarHBondContact O-N 3.28Å
485T38Very low39.5Very low145 Ų145162.7 Ų162.789%0.8978%0.776SS**  trans-53.6113.4162.741.60000111
486G32.8Very low39.4Very low67 Ų67154.3 Ų154.369%0.69176%0.758SS**  trans-99.4121.1165.600000109.4R484R484-G486 PolarHBondContact O-N 3.28Å
487T43.5Very low39.5Very low106 Ų106155.3 Ų155.365%0.6576%0.762SS**  trans-66.1151.3-176.144.20000112.9F489 Q490T487-F489 PolarHBondContact O-N 3.38Å; T487-Q490 PolarHBondContact O-N 2.84Å
488M39.5Very low39.6Very low165 Ų165159.9 Ų159.981%0.81377%0.766SS**THydrogen-bonded Turntrans-50.6-19.8178.9-95.1-98.3-98.700115.2Q490 R491M488-Q490 VanDerWaalsContact C-N 3.34Å; M488-Q490 PolarHBondContact O-N 2.99Å; M488-R491 PolarHBondContact O-N 3.11Å
489F39.3Very low39.4Very low168 Ų168158.1 Ų158.174%0.73776%0.761SS**Hα-helixtrans-70.4-24-174.3-157.9-106.3000114T487T487-F489 PolarHBondContact O-N 3.38Å
490Q40.2Very low39.3Very low128 Ų128158 Ų15860%0.59876%0.761SS**Hα-helixtrans-85.4-6.9178.5-79-176.3-17.100114.9T487 M488 T493T487-Q490 PolarHBondContact O-N 2.84Å; M488-Q490 VanDerWaalsContact C-N 3.34Å; M488-Q490 PolarHBondContact O-N 2.99Å; Q490-T493 PolarHBondContact O-OG1 3.36Å
491R40.1Very low38.8Very low208 Ų208164.3 Ų164.379%0.78577%0.768SS**Hα-helixtrans-87.7-28.2175.6-83.8-177.3176.6-179.8-1.5113M488 R494M488-R491 PolarHBondContact O-N 3.11Å; R491-R494 PolarHBondContact O-N 3.15Å
492L39.5Very low38.3Very low130 Ų130161.6 Ų161.668%0.68177%0.766SS**Hα-helixtrans-70.5-36179.3-82.9155.9000112.7R494 W495 G496L492-R494 PolarHBondContact O-N 2.97Å; L492-W495 PolarHBondContact O-N 3.18Å; L492-G496 PolarHBondContact O-N 3.47Å
493T41.8Very low38.1Very low94 Ų94163.1 Ų163.158%0.57776%0.761SS**Hα-helixtrans-70-18.817745.10000114Q490Q490-T493 PolarHBondContact O-OG1 3.36Å
494R42.2Very low37.9Very low184 Ų184162.1 Ų162.169%0.69476%0.757SS**Hα-helixtrans-87.5-20.7177.5-120-178-84.3-173-9.2113.5R491 L492R491-R494 PolarHBondContact O-N 3.15Å; L492-R494 PolarHBondContact O-N 2.97Å
495W39.3Very low37.6Very low204 Ų204159 Ų15977%0.77375%0.753SS**Hα-helixtrans-80.1-36.7175.7-119.853.6000112L492 R497 R498L492-W495 PolarHBondContact O-N 3.18Å; W495-R497 VanDerWaalsContact C-N 3.28Å; W495-R497 PolarHBondContact O-N 3.38Å; W495-R498 PolarHBondContact O-N 3.06Å
496G39.7Very low37.1Very low47 Ų47160.5 Ų160.549%0.48576%0.755SS.*Hα-helixtrans-62.2-27.9176.200000114.8L492L492-G496 PolarHBondContact O-N 3.47Å
497R43.7Very low36.8Very low227 Ų227162 Ų16286%0.85776%0.761SS**THydrogen-bonded Turntrans-84.2-8179.6-68.6-168.9-164.3-165.53115W495W495-R497 VanDerWaalsContact C-N 3.28Å; W495-R497 PolarHBondContact O-N 3.38Å
498R40.5Very low36.1Very low222 Ų222161.8 Ų161.884%0.83876%0.764SS**THydrogen-bonded Turntrans-96.1-11.7178.3-79.2-171.8-170.9-158.5-0.8114.3W495 L500W495-R498 PolarHBondContact O-N 3.06Å; R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 3.36Å
499L38.5Very low35.4Very low140 Ų140161.9 Ų161.973%0.73377%0.768SS**THydrogen-bonded Turntrans-84.31.3-179.4-89.9151000114.4
500L37.5Very low34.7Very low155 Ų155163.3 Ų163.381%0.81278%0.777SS**THydrogen-bonded Turntrans-118.627.1-171.9-91.1156.2000115.3R498R498-L500 VanDerWaalsContact C-N 3.32Å; R498-L500 PolarHBondContact O-N 3.36Å
501R33Very low34Very low246 Ų246166.4 Ų166.493%0.92879%0.792SS**  trans-128.7114.4167.5-83.1-172-178.6-172.9-0.7112.2
502H30.5Very low33.3Very low189 Ų189165 Ų16588%0.87579%0.794SS**  trans-68.2155.1170.9-131.3-86.6000111.2
503P35Very low32.8Very low110 Ų110165 Ų16571%0.71480%0.799SS**  trans-95.2149.2-178.532.1-20.9000113
504R26.7Very low32Very low230 Ų230169 Ų16987%0.86881%0.811SS**  trans-139.9118.6161.2-115.3-175.4-177.7169.81.3110.9
505Q28.3Very low31.3Very low174 Ų174170.8 Ų170.881%0.81382%0.819SS**  trans41.5115149.2-78.8157.3-41.900120.7
506D28.2Very low30.7Very low176 Ų176165.4 Ų165.494%0.94182%0.818SS**  trans-84132.5160.9-70.6-39000110.4
507A26.3Very low30.1Very low99 Ų99168.7 Ų168.782%0.81883%0.834SS**  trans-109.5146.816200000109
508S27.5Very low29.5Very low102 Ų102167.3 Ų167.371%0.71386%0.859SS**  trans-53.6150.217950.30000114.6
509D25.9Very low28.9Very low167 Ų167164.6 Ų164.689%0.89386%0.86SS**  -159.8132.9129.1-88.2-27.5000111.1
510Q25.1Very low28.4Very low198 Ų198165.8 Ų165.893%0.92587%0.867SS**  trans-94.4135.5171.8-77.9174.9-55.100108.4
511E25.1Very low27.9Very low193 Ų193166.4 Ų166.490%0.90287%0.87SS**  trans-127.6110.2169.4-143.5170.4-169.700108.9
512E25.6Very low27.6Very low179 Ų179161.8 Ų161.884%0.83687%0.866SS**  trans-72.2140.5172.4-77.1-179.6140.700110.5
513T27.3Very low27.5Very low128 Ų128160.1 Ų160.179%0.78587%0.866SS**  trans-120.3110.9168.238.20000110
514H26.2Very low27Very low180 Ų180163.4 Ų163.483%0.83388%0.876SS**  trans-71.5137.1165.3-97.9-88.7000110.3
515Y26.5Very low27Very low221 Ų221158.6 Ų158.687%0.86788%0.876SS**  trans-125.2124.2157.8-95.3-82.1000109.3
516A27.6Very low26.9Very low90 Ų90157.5 Ų157.574%0.74488%0.881SS**  trans-96.4135.416400000109.2
517S26.3Very low26.8Very low117 Ų117155.9 Ų155.982%0.81888%0.876SS**  160.3140.4125.151.70000112
518S31.5Very low26.8Very low197 Ų197161.1 Ų161.1100%1.37888%0.881SS**  trans84.70171.5-61.60000117.6

Retrieved 518 of 518 residues in 3452.3 ms (Link to these results)

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